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 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot -84:sc= 1.29 USER MOD Set 2.1: A 22 THR OG1 : rot -80:sc= 1.21 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.77 K(o=3,f=-8.2!) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0406) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.37 (180deg=2.33) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.083) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0444) 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 -63:sc= 0.413 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.29 (180deg=0.971!) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= -0.0992 K(o=-0.099,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 1.16 (180deg=1.14) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 41 GLN : amide:sc= 1.13 K(o=1.1,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.141 K(o=0.14,f=-5.3!) USER MOD Single : A 59 TYR OH : rot 23:sc= 0.455 USER MOD Single : A 60 ASN : amide:sc= -0.0271 K(o=-0.027,f=-0.86) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.05) USER MOD Single : A 65 SER OG : rot 104:sc= 0.144 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0497 K(o=-0.05,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.863 51.869 19.830 1.00 0.00 N ATOM 2 CA MET A 1 33.140 52.189 21.239 1.00 0.00 C ATOM 3 C MET A 1 34.617 52.536 21.439 1.00 0.00 C ATOM 4 O MET A 1 35.464 52.134 20.644 1.00 0.00 O ATOM 5 CB MET A 1 32.698 51.092 22.202 1.00 0.00 C ATOM 6 CG MET A 1 33.379 49.741 22.000 1.00 0.00 C ATOM 7 SD MET A 1 33.307 48.626 23.423 1.00 0.00 S ATOM 8 CE MET A 1 31.520 48.474 23.669 1.00 0.00 C ATOM 0 H1 MET A 1 31.849 51.670 19.712 1.00 0.00 H new ATOM 0 H2 MET A 1 33.129 52.677 19.232 1.00 0.00 H new ATOM 0 H3 MET A 1 33.415 51.033 19.549 1.00 0.00 H new ATOM 0 HA MET A 1 32.539 53.066 21.481 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.886 51.428 23.222 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.621 50.957 22.105 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.920 49.244 21.145 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.425 49.913 21.745 1.00 0.00 H new ATOM 0 HE1 MET A 1 31.322 47.760 24.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 31.106 49.445 23.939 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.054 48.125 22.747 1.00 0.00 H new ATOM 20 N GLN A 2 34.918 53.259 22.514 1.00 0.00 N ATOM 21 CA GLN A 2 36.254 53.677 22.890 1.00 0.00 C ATOM 22 C GLN A 2 36.875 52.718 23.908 1.00 0.00 C ATOM 23 O GLN A 2 36.198 52.317 24.852 1.00 0.00 O ATOM 24 CB GLN A 2 36.167 55.107 23.416 1.00 0.00 C ATOM 25 CG GLN A 2 37.529 55.710 23.749 1.00 0.00 C ATOM 26 CD GLN A 2 37.460 57.237 23.787 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.476 57.875 24.838 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.385 57.882 22.626 1.00 0.00 N ATOM 0 H GLN A 2 34.205 53.580 23.169 1.00 0.00 H new ATOM 0 HA GLN A 2 36.915 53.652 22.024 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.673 55.731 22.672 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.543 55.121 24.309 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.871 55.334 24.713 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.262 55.394 23.006 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.371 57.358 21.751 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.341 58.901 22.611 1.00 0.00 H new ATOM 37 N ILE A 3 38.159 52.404 23.761 1.00 0.00 N ATOM 38 CA ILE A 3 38.956 51.723 24.761 1.00 0.00 C ATOM 39 C ILE A 3 40.354 52.338 24.843 1.00 0.00 C ATOM 40 O ILE A 3 40.786 53.015 23.913 1.00 0.00 O ATOM 41 CB ILE A 3 39.035 50.215 24.538 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.720 49.834 23.229 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.665 49.557 24.669 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.076 48.353 23.125 1.00 0.00 C ATOM 0 H ILE A 3 38.684 52.626 22.915 1.00 0.00 H new ATOM 0 HA ILE A 3 38.449 51.864 25.716 1.00 0.00 H new ATOM 0 HB ILE A 3 39.671 49.825 25.333 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.067 50.100 22.398 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.630 50.425 23.121 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.760 48.484 24.504 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.269 49.737 25.668 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.986 49.979 23.928 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.559 48.161 22.167 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.755 48.084 23.934 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.168 47.754 23.200 1.00 0.00 H new ATOM 56 N PHE A 4 41.065 52.068 25.933 1.00 0.00 N ATOM 57 CA PHE A 4 42.406 52.564 26.172 1.00 0.00 C ATOM 58 C PHE A 4 43.431 51.439 26.326 1.00 0.00 C ATOM 59 O PHE A 4 43.140 50.395 26.908 1.00 0.00 O ATOM 60 CB PHE A 4 42.418 53.490 27.385 1.00 0.00 C ATOM 61 CG PHE A 4 41.380 54.586 27.351 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.502 55.647 26.444 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.280 54.538 28.215 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.530 56.654 26.401 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.315 55.553 28.189 1.00 0.00 C ATOM 66 CZ PHE A 4 39.441 56.611 27.280 1.00 0.00 C ATOM 0 H PHE A 4 40.711 51.483 26.690 1.00 0.00 H new ATOM 0 HA PHE A 4 42.704 53.132 25.291 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.266 52.892 28.283 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.405 53.945 27.468 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.349 55.688 25.775 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.175 53.714 28.905 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.620 57.463 25.691 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.476 55.520 28.868 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.698 57.394 27.257 1.00 0.00 H new ATOM 76 N VAL A 5 44.649 51.666 25.846 1.00 0.00 N ATOM 77 CA VAL A 5 45.767 50.751 25.953 1.00 0.00 C ATOM 78 C VAL A 5 46.927 51.433 26.683 1.00 0.00 C ATOM 79 O VAL A 5 47.351 52.514 26.281 1.00 0.00 O ATOM 80 CB VAL A 5 46.206 50.239 24.584 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.329 49.213 24.699 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.049 49.599 23.823 1.00 0.00 C ATOM 0 H VAL A 5 44.888 52.527 25.354 1.00 0.00 H new ATOM 0 HA VAL A 5 45.447 49.884 26.531 1.00 0.00 H new ATOM 0 HB VAL A 5 46.563 51.112 24.038 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.614 48.872 23.704 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.190 49.669 25.187 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.986 48.363 25.289 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.402 49.247 22.854 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.659 48.757 24.395 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.259 50.335 23.676 1.00 0.00 H new ATOM 92 N LYS A 6 47.460 50.816 27.734 1.00 0.00 N ATOM 93 CA LYS A 6 48.659 51.263 28.411 1.00 0.00 C ATOM 94 C LYS A 6 49.906 50.809 27.649 1.00 0.00 C ATOM 95 O LYS A 6 50.074 49.609 27.443 1.00 0.00 O ATOM 96 CB LYS A 6 48.644 50.774 29.857 1.00 0.00 C ATOM 97 CG LYS A 6 49.602 51.565 30.742 1.00 0.00 C ATOM 98 CD LYS A 6 49.564 51.047 32.178 1.00 0.00 C ATOM 99 CE LYS A 6 50.384 51.861 33.175 1.00 0.00 C ATOM 100 NZ LYS A 6 49.889 53.238 33.325 1.00 0.00 N ATOM 0 H LYS A 6 47.056 49.973 28.143 1.00 0.00 H new ATOM 0 HA LYS A 6 48.686 52.352 28.433 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.633 50.855 30.256 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.914 49.718 29.885 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.616 51.487 30.349 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.333 52.621 30.724 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.527 51.025 32.514 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.924 50.018 32.188 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.366 51.365 34.145 1.00 0.00 H new ATOM 0 HE3 LYS A 6 51.424 51.886 32.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.415 53.715 34.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.025 53.755 32.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.877 53.219 33.564 1.00 0.00 H new ATOM 168 N LYS A 11 52.113 55.441 29.450 1.00 0.00 N ATOM 169 CA LYS A 11 51.143 56.330 28.843 1.00 0.00 C ATOM 170 C LYS A 11 49.913 55.543 28.386 1.00 0.00 C ATOM 171 O LYS A 11 50.055 54.389 27.989 1.00 0.00 O ATOM 172 CB LYS A 11 51.837 57.030 27.679 1.00 0.00 C ATOM 173 CG LYS A 11 51.040 58.121 26.970 1.00 0.00 C ATOM 174 CD LYS A 11 51.867 58.723 25.837 1.00 0.00 C ATOM 175 CE LYS A 11 51.118 59.836 25.113 1.00 0.00 C ATOM 176 NZ LYS A 11 51.927 60.410 24.025 1.00 0.00 N ATOM 0 HA LYS A 11 50.787 57.073 29.557 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.764 57.469 28.048 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.113 56.275 26.942 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.114 57.706 26.573 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.762 58.899 27.681 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.801 59.116 26.239 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.131 57.941 25.125 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.185 59.444 24.707 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.853 60.619 25.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.389 61.164 23.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.806 60.805 24.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.159 59.667 23.336 1.00 0.00 H new ATOM 190 N THR A 12 48.716 56.123 28.384 1.00 0.00 N ATOM 191 CA THR A 12 47.540 55.506 27.806 1.00 0.00 C ATOM 192 C THR A 12 47.181 56.118 26.450 1.00 0.00 C ATOM 193 O THR A 12 47.043 57.333 26.319 1.00 0.00 O ATOM 194 CB THR A 12 46.349 55.466 28.759 1.00 0.00 C ATOM 195 OG1 THR A 12 46.115 56.719 29.363 1.00 0.00 O ATOM 196 CG2 THR A 12 46.580 54.447 29.872 1.00 0.00 C ATOM 0 H THR A 12 48.540 57.043 28.789 1.00 0.00 H new ATOM 0 HA THR A 12 47.805 54.464 27.627 1.00 0.00 H new ATOM 0 HB THR A 12 45.484 55.187 28.157 1.00 0.00 H new ATOM 0 HG1 THR A 12 45.344 56.653 29.964 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.718 54.436 30.539 1.00 0.00 H new ATOM 0 HG22 THR A 12 46.715 53.457 29.437 1.00 0.00 H new ATOM 0 HG23 THR A 12 47.472 54.720 30.436 1.00 0.00 H new ATOM 204 N ILE A 13 47.035 55.268 25.439 1.00 0.00 N ATOM 205 CA ILE A 13 46.636 55.595 24.084 1.00 0.00 C ATOM 206 C ILE A 13 45.212 55.115 23.802 1.00 0.00 C ATOM 207 O ILE A 13 44.749 54.153 24.409 1.00 0.00 O ATOM 208 CB ILE A 13 47.644 55.094 23.054 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.811 53.577 23.071 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.967 55.829 23.240 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.695 53.031 21.953 1.00 0.00 C ATOM 0 H ILE A 13 47.204 54.269 25.557 1.00 0.00 H new ATOM 0 HA ILE A 13 46.630 56.681 23.990 1.00 0.00 H new ATOM 0 HB ILE A 13 47.255 55.320 22.061 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.234 53.280 24.031 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.827 53.114 23.000 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.688 55.472 22.505 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.811 56.899 23.105 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.349 55.642 24.243 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.761 51.946 22.038 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.264 53.294 20.987 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.693 53.463 22.034 1.00 0.00 H new ATOM 223 N THR A 14 44.504 55.772 22.886 1.00 0.00 N ATOM 224 CA THR A 14 43.102 55.547 22.604 1.00 0.00 C ATOM 225 C THR A 14 42.877 54.763 21.309 1.00 0.00 C ATOM 226 O THR A 14 43.569 54.997 20.321 1.00 0.00 O ATOM 227 CB THR A 14 42.352 56.875 22.543 1.00 0.00 C ATOM 228 OG1 THR A 14 42.482 57.568 23.764 1.00 0.00 O ATOM 229 CG2 THR A 14 40.845 56.722 22.360 1.00 0.00 C ATOM 0 H THR A 14 44.913 56.501 22.302 1.00 0.00 H new ATOM 0 HA THR A 14 42.712 54.940 23.421 1.00 0.00 H new ATOM 0 HB THR A 14 42.790 57.394 21.691 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.062 57.049 24.481 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.381 57.708 22.326 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.643 56.193 21.428 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.433 56.156 23.195 1.00 0.00 H new ATOM 237 N LEU A 15 41.884 53.877 21.297 1.00 0.00 N ATOM 238 CA LEU A 15 41.384 53.198 20.119 1.00 0.00 C ATOM 239 C LEU A 15 39.884 53.420 19.921 1.00 0.00 C ATOM 240 O LEU A 15 39.159 53.762 20.853 1.00 0.00 O ATOM 241 CB LEU A 15 41.680 51.705 20.218 1.00 0.00 C ATOM 242 CG LEU A 15 43.135 51.296 20.429 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.208 49.778 20.570 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.051 51.695 19.276 1.00 0.00 C ATOM 0 H LEU A 15 41.390 53.606 22.147 1.00 0.00 H new ATOM 0 HA LEU A 15 41.895 53.620 19.253 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.092 51.298 21.040 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.324 51.229 19.305 1.00 0.00 H new ATOM 0 HG LEU A 15 43.476 51.816 21.325 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.244 49.476 20.721 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.610 49.463 21.425 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.822 49.310 19.665 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.070 51.373 19.493 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.708 51.219 18.357 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.031 52.778 19.153 1.00 0.00 H new ATOM 256 N GLU A 16 39.396 53.154 18.712 1.00 0.00 N ATOM 257 CA GLU A 16 37.996 52.952 18.399 1.00 0.00 C ATOM 258 C GLU A 16 37.806 51.508 17.927 1.00 0.00 C ATOM 259 O GLU A 16 38.502 51.066 17.016 1.00 0.00 O ATOM 260 CB GLU A 16 37.561 53.974 17.352 1.00 0.00 C ATOM 261 CG GLU A 16 36.097 53.888 16.925 1.00 0.00 C ATOM 262 CD GLU A 16 35.094 54.210 18.034 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.387 55.025 18.936 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.973 53.660 17.984 1.00 0.00 O ATOM 0 H GLU A 16 39.997 53.071 17.892 1.00 0.00 H new ATOM 0 HA GLU A 16 37.367 53.103 19.277 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.750 54.974 17.743 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.188 53.854 16.468 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.933 54.574 16.094 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.898 52.883 16.553 1.00 0.00 H new ATOM 271 N VAL A 17 36.906 50.756 18.553 1.00 0.00 N ATOM 272 CA VAL A 17 36.680 49.346 18.304 1.00 0.00 C ATOM 273 C VAL A 17 35.190 49.001 18.342 1.00 0.00 C ATOM 274 O VAL A 17 34.403 49.663 19.017 1.00 0.00 O ATOM 275 CB VAL A 17 37.433 48.459 19.291 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.945 48.657 19.231 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.979 48.639 20.737 1.00 0.00 C ATOM 0 H VAL A 17 36.292 51.132 19.276 1.00 0.00 H new ATOM 0 HA VAL A 17 37.065 49.149 17.303 1.00 0.00 H new ATOM 0 HB VAL A 17 37.189 47.446 18.972 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.427 48.000 19.955 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.304 48.419 18.230 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.186 49.694 19.466 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.556 47.978 21.384 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.136 49.674 21.042 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.920 48.394 20.819 1.00 0.00 H new ATOM 287 N GLU A 18 34.810 47.917 17.672 1.00 0.00 N ATOM 288 CA GLU A 18 33.531 47.257 17.840 1.00 0.00 C ATOM 289 C GLU A 18 33.740 45.962 18.628 1.00 0.00 C ATOM 290 O GLU A 18 34.754 45.302 18.415 1.00 0.00 O ATOM 291 CB GLU A 18 32.932 46.994 16.461 1.00 0.00 C ATOM 292 CG GLU A 18 31.475 46.542 16.443 1.00 0.00 C ATOM 293 CD GLU A 18 30.510 47.691 16.743 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.884 48.215 15.797 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.348 48.078 17.920 1.00 0.00 O ATOM 0 H GLU A 18 35.405 47.465 16.978 1.00 0.00 H new ATOM 0 HA GLU A 18 32.835 47.882 18.400 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.017 47.906 15.869 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.534 46.234 15.963 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.240 46.118 15.467 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.333 45.749 17.178 1.00 0.00 H new ATOM 302 N PRO A 19 32.833 45.514 19.491 1.00 0.00 N ATOM 303 CA PRO A 19 33.001 44.272 20.219 1.00 0.00 C ATOM 304 C PRO A 19 33.185 43.023 19.354 1.00 0.00 C ATOM 305 O PRO A 19 33.638 41.997 19.859 1.00 0.00 O ATOM 306 CB PRO A 19 31.780 44.151 21.126 1.00 0.00 C ATOM 307 CG PRO A 19 31.395 45.606 21.374 1.00 0.00 C ATOM 308 CD PRO A 19 31.693 46.236 20.017 1.00 0.00 C ATOM 0 HA PRO A 19 33.937 44.317 20.775 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.974 43.596 20.646 1.00 0.00 H new ATOM 0 HB3 PRO A 19 32.016 43.632 22.055 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.347 45.711 21.653 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.984 46.056 22.173 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.835 46.153 19.350 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.915 47.298 20.119 1.00 0.00 H new ATOM 316 N SER A 20 32.845 43.071 18.070 1.00 0.00 N ATOM 317 CA SER A 20 33.101 42.013 17.113 1.00 0.00 C ATOM 318 C SER A 20 34.546 41.929 16.616 1.00 0.00 C ATOM 319 O SER A 20 34.900 40.931 15.991 1.00 0.00 O ATOM 320 CB SER A 20 32.157 42.156 15.924 1.00 0.00 C ATOM 321 OG SER A 20 32.309 43.402 15.282 1.00 0.00 O ATOM 0 H SER A 20 32.369 43.874 17.659 1.00 0.00 H new ATOM 0 HA SER A 20 32.921 41.082 17.651 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.347 41.354 15.211 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.127 42.045 16.262 1.00 0.00 H new ATOM 0 HG SER A 20 31.690 43.457 14.524 1.00 0.00 H new ATOM 327 N ASP A 21 35.397 42.919 16.871 1.00 0.00 N ATOM 328 CA ASP A 21 36.781 42.899 16.444 1.00 0.00 C ATOM 329 C ASP A 21 37.583 41.810 17.161 1.00 0.00 C ATOM 330 O ASP A 21 37.440 41.589 18.361 1.00 0.00 O ATOM 331 CB ASP A 21 37.437 44.263 16.635 1.00 0.00 C ATOM 332 CG ASP A 21 36.951 45.316 15.637 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.857 45.008 14.429 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.704 46.478 16.026 1.00 0.00 O ATOM 0 H ASP A 21 35.137 43.761 17.384 1.00 0.00 H new ATOM 0 HA ASP A 21 36.783 42.664 15.380 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.239 44.614 17.648 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.517 44.155 16.540 1.00 0.00 H new ATOM 339 N THR A 22 38.456 41.138 16.417 1.00 0.00 N ATOM 340 CA THR A 22 39.419 40.202 16.962 1.00 0.00 C ATOM 341 C THR A 22 40.638 40.926 17.536 1.00 0.00 C ATOM 342 O THR A 22 40.966 42.035 17.120 1.00 0.00 O ATOM 343 CB THR A 22 39.896 39.150 15.965 1.00 0.00 C ATOM 344 OG1 THR A 22 40.756 39.720 15.004 1.00 0.00 O ATOM 345 CG2 THR A 22 38.786 38.429 15.206 1.00 0.00 C ATOM 0 H THR A 22 38.511 41.234 15.403 1.00 0.00 H new ATOM 0 HA THR A 22 38.880 39.682 17.754 1.00 0.00 H new ATOM 0 HB THR A 22 40.405 38.414 16.587 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.224 40.179 14.321 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.225 37.702 14.523 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.136 37.915 15.914 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.203 39.154 14.638 1.00 0.00 H new ATOM 353 N ILE A 23 41.398 40.252 18.395 1.00 0.00 N ATOM 354 CA ILE A 23 42.682 40.737 18.861 1.00 0.00 C ATOM 355 C ILE A 23 43.653 41.029 17.716 1.00 0.00 C ATOM 356 O ILE A 23 44.433 41.973 17.829 1.00 0.00 O ATOM 357 CB ILE A 23 43.251 39.775 19.899 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.364 39.632 21.133 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.674 40.127 20.327 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.883 40.925 21.784 1.00 0.00 C ATOM 0 H ILE A 23 41.133 39.348 18.787 1.00 0.00 H new ATOM 0 HA ILE A 23 42.530 41.701 19.346 1.00 0.00 H new ATOM 0 HB ILE A 23 43.279 38.813 19.387 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.489 39.044 20.857 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.911 39.058 21.881 1.00 0.00 H new ATOM 0 HG21 ILE A 23 45.021 39.405 21.066 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.332 40.101 19.458 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.686 41.126 20.762 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.263 40.688 22.649 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.743 41.513 22.104 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.299 41.499 21.065 1.00 0.00 H new ATOM 372 N GLU A 24 43.584 40.338 16.582 1.00 0.00 N ATOM 373 CA GLU A 24 44.432 40.632 15.444 1.00 0.00 C ATOM 374 C GLU A 24 44.055 41.938 14.743 1.00 0.00 C ATOM 375 O GLU A 24 44.942 42.654 14.282 1.00 0.00 O ATOM 376 CB GLU A 24 44.500 39.434 14.500 1.00 0.00 C ATOM 377 CG GLU A 24 45.110 38.213 15.181 1.00 0.00 C ATOM 378 CD GLU A 24 45.360 37.044 14.225 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.383 36.508 13.658 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.523 36.618 14.061 1.00 0.00 O ATOM 0 H GLU A 24 42.939 39.562 16.432 1.00 0.00 H new ATOM 0 HA GLU A 24 45.441 40.803 15.818 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.498 39.191 14.147 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.092 39.695 13.623 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.053 38.499 15.647 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.447 37.883 15.981 1.00 0.00 H new ATOM 387 N ASN A 25 42.783 42.325 14.754 1.00 0.00 N ATOM 388 CA ASN A 25 42.341 43.629 14.301 1.00 0.00 C ATOM 389 C ASN A 25 42.761 44.730 15.278 1.00 0.00 C ATOM 390 O ASN A 25 43.251 45.778 14.861 1.00 0.00 O ATOM 391 CB ASN A 25 40.831 43.661 14.087 1.00 0.00 C ATOM 392 CG ASN A 25 40.250 42.491 13.289 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.516 41.667 13.827 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.579 42.330 12.010 1.00 0.00 N ATOM 0 H ASN A 25 42.024 41.729 15.084 1.00 0.00 H new ATOM 0 HA ASN A 25 42.826 43.817 13.343 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.345 43.689 15.062 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.574 44.589 13.576 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.222 41.529 11.489 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.188 43.007 11.551 1.00 0.00 H new ATOM 401 N VAL A 26 42.646 44.489 16.580 1.00 0.00 N ATOM 402 CA VAL A 26 43.064 45.427 17.603 1.00 0.00 C ATOM 403 C VAL A 26 44.573 45.675 17.547 1.00 0.00 C ATOM 404 O VAL A 26 45.004 46.825 17.575 1.00 0.00 O ATOM 405 CB VAL A 26 42.623 44.963 18.988 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.114 45.882 20.103 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.102 44.921 19.090 1.00 0.00 C ATOM 0 H VAL A 26 42.254 43.625 16.954 1.00 0.00 H new ATOM 0 HA VAL A 26 42.571 46.379 17.404 1.00 0.00 H new ATOM 0 HB VAL A 26 43.059 43.972 19.112 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.770 45.502 21.065 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.203 45.915 20.094 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.720 46.886 19.947 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.813 44.587 20.087 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.698 45.917 18.910 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.706 44.229 18.347 1.00 0.00 H new ATOM 417 N LYS A 27 45.381 44.632 17.369 1.00 0.00 N ATOM 418 CA LYS A 27 46.812 44.736 17.169 1.00 0.00 C ATOM 419 C LYS A 27 47.183 45.560 15.935 1.00 0.00 C ATOM 420 O LYS A 27 48.151 46.314 15.994 1.00 0.00 O ATOM 421 CB LYS A 27 47.426 43.341 17.090 1.00 0.00 C ATOM 422 CG LYS A 27 47.538 42.661 18.452 1.00 0.00 C ATOM 423 CD LYS A 27 48.076 41.243 18.279 1.00 0.00 C ATOM 424 CE LYS A 27 48.504 40.653 19.620 1.00 0.00 C ATOM 425 NZ LYS A 27 49.351 39.471 19.403 1.00 0.00 N ATOM 0 H LYS A 27 45.043 43.670 17.361 1.00 0.00 H new ATOM 0 HA LYS A 27 47.221 45.269 18.028 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.821 42.721 16.429 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.417 43.411 16.642 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.200 43.234 19.102 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.562 42.633 18.936 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.310 40.612 17.828 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.924 41.253 17.595 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.049 41.400 20.198 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.625 40.378 20.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.333 38.870 20.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.992 38.932 18.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.328 39.774 19.214 1.00 0.00 H new ATOM 439 N ALA A 28 46.401 45.478 14.863 1.00 0.00 N ATOM 440 CA ALA A 28 46.572 46.309 13.687 1.00 0.00 C ATOM 441 C ALA A 28 46.236 47.778 13.948 1.00 0.00 C ATOM 442 O ALA A 28 46.992 48.661 13.548 1.00 0.00 O ATOM 443 CB ALA A 28 45.749 45.730 12.539 1.00 0.00 C ATOM 0 H ALA A 28 45.623 44.823 14.791 1.00 0.00 H new ATOM 0 HA ALA A 28 47.626 46.299 13.411 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.874 46.351 11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.088 44.717 12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.696 45.708 12.821 1.00 0.00 H new ATOM 449 N LYS A 29 45.158 48.059 14.676 1.00 0.00 N ATOM 450 CA LYS A 29 44.787 49.396 15.093 1.00 0.00 C ATOM 451 C LYS A 29 45.811 50.040 16.029 1.00 0.00 C ATOM 452 O LYS A 29 45.944 51.261 16.017 1.00 0.00 O ATOM 453 CB LYS A 29 43.402 49.366 15.734 1.00 0.00 C ATOM 454 CG LYS A 29 42.272 49.370 14.709 1.00 0.00 C ATOM 455 CD LYS A 29 40.931 49.149 15.403 1.00 0.00 C ATOM 456 CE LYS A 29 39.741 49.497 14.512 1.00 0.00 C ATOM 457 NZ LYS A 29 39.497 50.946 14.471 1.00 0.00 N ATOM 0 H LYS A 29 44.507 47.342 14.996 1.00 0.00 H new ATOM 0 HA LYS A 29 44.765 50.021 14.201 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.316 48.477 16.359 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.293 50.229 16.391 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.260 50.319 14.173 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.440 48.588 13.969 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.855 48.107 15.713 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.891 49.755 16.308 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.923 49.130 13.502 1.00 0.00 H new ATOM 0 HE3 LYS A 29 38.850 48.988 14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.863 51.169 13.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.056 51.249 15.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.400 51.447 14.344 1.00 0.00 H new ATOM 471 N ILE A 30 46.545 49.245 16.803 1.00 0.00 N ATOM 472 CA ILE A 30 47.688 49.680 17.581 1.00 0.00 C ATOM 473 C ILE A 30 48.899 49.920 16.679 1.00 0.00 C ATOM 474 O ILE A 30 49.528 50.971 16.783 1.00 0.00 O ATOM 475 CB ILE A 30 47.970 48.686 18.704 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.839 48.684 19.727 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.295 48.980 19.403 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.859 47.484 20.671 1.00 0.00 C ATOM 0 H ILE A 30 46.349 48.249 16.905 1.00 0.00 H new ATOM 0 HA ILE A 30 47.461 50.637 18.052 1.00 0.00 H new ATOM 0 HB ILE A 30 48.038 47.700 18.244 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.895 49.599 20.317 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.885 48.703 19.199 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.458 48.250 20.196 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.109 48.919 18.681 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.265 49.981 19.833 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.024 47.555 21.368 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.771 46.564 20.092 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.796 47.474 21.227 1.00 0.00 H new ATOM 490 N GLN A 31 49.225 49.006 15.768 1.00 0.00 N ATOM 491 CA GLN A 31 50.371 49.113 14.889 1.00 0.00 C ATOM 492 C GLN A 31 50.356 50.374 14.023 1.00 0.00 C ATOM 493 O GLN A 31 51.411 50.955 13.779 1.00 0.00 O ATOM 494 CB GLN A 31 50.485 47.847 14.045 1.00 0.00 C ATOM 495 CG GLN A 31 51.792 47.765 13.261 1.00 0.00 C ATOM 496 CD GLN A 31 52.001 46.425 12.553 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.123 45.571 12.454 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.192 46.173 12.019 1.00 0.00 N ATOM 0 H GLN A 31 48.683 48.154 15.623 1.00 0.00 H new ATOM 0 HA GLN A 31 51.258 49.210 15.515 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.403 46.976 14.695 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.647 47.805 13.349 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.812 48.564 12.520 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.625 47.940 13.941 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.938 46.865 12.087 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.360 45.288 11.541 1.00 0.00 H new ATOM 507 N ASP A 32 49.181 50.858 13.631 1.00 0.00 N ATOM 508 CA ASP A 32 49.016 52.097 12.896 1.00 0.00 C ATOM 509 C ASP A 32 49.518 53.350 13.615 1.00 0.00 C ATOM 510 O ASP A 32 49.873 54.321 12.950 1.00 0.00 O ATOM 511 CB ASP A 32 47.544 52.253 12.527 1.00 0.00 C ATOM 512 CG ASP A 32 47.312 53.394 11.535 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.883 53.330 10.424 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.531 54.321 11.840 1.00 0.00 O ATOM 0 H ASP A 32 48.299 50.384 13.823 1.00 0.00 H new ATOM 0 HA ASP A 32 49.646 52.016 12.010 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.179 51.321 12.097 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.963 52.436 13.431 1.00 0.00 H new ATOM 519 N LYS A 33 49.580 53.353 14.944 1.00 0.00 N ATOM 520 CA LYS A 33 50.023 54.480 15.741 1.00 0.00 C ATOM 521 C LYS A 33 51.245 54.227 16.626 1.00 0.00 C ATOM 522 O LYS A 33 51.981 55.172 16.902 1.00 0.00 O ATOM 523 CB LYS A 33 48.847 55.094 16.494 1.00 0.00 C ATOM 524 CG LYS A 33 48.216 54.201 17.559 1.00 0.00 C ATOM 525 CD LYS A 33 47.011 54.861 18.224 1.00 0.00 C ATOM 526 CE LYS A 33 45.823 54.953 17.270 1.00 0.00 C ATOM 527 NZ LYS A 33 44.703 55.704 17.857 1.00 0.00 N ATOM 0 H LYS A 33 49.314 52.545 15.507 1.00 0.00 H new ATOM 0 HA LYS A 33 50.401 55.215 15.030 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.183 56.016 16.969 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.078 55.369 15.772 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.908 53.259 17.105 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.961 53.961 18.317 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.725 54.291 19.108 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.284 55.860 18.563 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.138 55.435 16.344 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.489 53.949 17.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.882 55.657 17.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.452 55.290 18.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.982 56.697 17.989 1.00 0.00 H new ATOM 541 N GLU A 34 51.531 52.987 17.014 1.00 0.00 N ATOM 542 CA GLU A 34 52.702 52.613 17.781 1.00 0.00 C ATOM 543 C GLU A 34 53.806 51.938 16.964 1.00 0.00 C ATOM 544 O GLU A 34 54.956 51.945 17.396 1.00 0.00 O ATOM 545 CB GLU A 34 52.301 51.716 18.949 1.00 0.00 C ATOM 546 CG GLU A 34 51.666 52.475 20.111 1.00 0.00 C ATOM 547 CD GLU A 34 52.700 53.293 20.887 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.321 52.748 21.824 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.916 54.474 20.541 1.00 0.00 O ATOM 0 H GLU A 34 50.930 52.193 16.793 1.00 0.00 H new ATOM 0 HA GLU A 34 53.127 53.549 18.143 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.600 50.961 18.593 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.183 51.187 19.310 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.889 53.138 19.731 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.181 51.769 20.785 1.00 0.00 H new ATOM 556 N GLY A 35 53.510 51.354 15.806 1.00 0.00 N ATOM 557 CA GLY A 35 54.507 50.728 14.961 1.00 0.00 C ATOM 558 C GLY A 35 55.075 49.397 15.457 1.00 0.00 C ATOM 559 O GLY A 35 56.109 48.965 14.951 1.00 0.00 O ATOM 0 H GLY A 35 52.563 51.305 15.430 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.069 50.567 13.976 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.334 51.426 14.832 1.00 0.00 H new ATOM 563 N ILE A 36 54.440 48.735 16.418 1.00 0.00 N ATOM 564 CA ILE A 36 54.916 47.502 17.016 1.00 0.00 C ATOM 565 C ILE A 36 54.339 46.302 16.262 1.00 0.00 C ATOM 566 O ILE A 36 53.119 46.232 16.140 1.00 0.00 O ATOM 567 CB ILE A 36 54.599 47.455 18.507 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.223 48.631 19.252 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.088 46.152 19.131 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.705 48.835 20.673 1.00 0.00 C ATOM 0 H ILE A 36 53.555 49.054 16.811 1.00 0.00 H new ATOM 0 HA ILE A 36 56.002 47.460 16.930 1.00 0.00 H new ATOM 0 HB ILE A 36 53.515 47.516 18.600 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.303 48.487 19.291 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.044 49.542 18.680 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.849 46.146 20.194 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.598 45.309 18.644 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.167 46.069 19.001 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.205 49.693 21.123 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.630 49.015 20.646 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.909 47.944 21.266 1.00 0.00 H new ATOM 582 N PRO A 37 55.137 45.347 15.792 1.00 0.00 N ATOM 583 CA PRO A 37 54.652 44.174 15.093 1.00 0.00 C ATOM 584 C PRO A 37 53.645 43.341 15.890 1.00 0.00 C ATOM 585 O PRO A 37 53.790 43.218 17.105 1.00 0.00 O ATOM 586 CB PRO A 37 55.883 43.343 14.744 1.00 0.00 C ATOM 587 CG PRO A 37 56.997 44.383 14.668 1.00 0.00 C ATOM 588 CD PRO A 37 56.585 45.370 15.756 1.00 0.00 C ATOM 0 HA PRO A 37 54.100 44.493 14.209 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.088 42.589 15.504 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.758 42.817 13.798 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.977 43.946 14.863 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.048 44.855 13.687 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.003 45.083 16.721 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.953 46.371 15.534 1.00 0.00 H new ATOM 596 N PRO A 38 52.654 42.719 15.259 1.00 0.00 N ATOM 597 CA PRO A 38 51.561 42.076 15.962 1.00 0.00 C ATOM 598 C PRO A 38 51.993 40.830 16.737 1.00 0.00 C ATOM 599 O PRO A 38 51.387 40.520 17.760 1.00 0.00 O ATOM 600 CB PRO A 38 50.519 41.760 14.893 1.00 0.00 C ATOM 601 CG PRO A 38 51.350 41.593 13.624 1.00 0.00 C ATOM 602 CD PRO A 38 52.476 42.603 13.826 1.00 0.00 C ATOM 0 HA PRO A 38 51.159 42.733 16.733 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.962 40.853 15.131 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.790 42.564 14.793 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.731 40.577 13.520 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.768 41.809 12.728 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.394 42.266 13.345 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.220 43.566 13.385 1.00 0.00 H new ATOM 610 N ASP A 39 53.071 40.163 16.335 1.00 0.00 N ATOM 611 CA ASP A 39 53.660 39.061 17.071 1.00 0.00 C ATOM 612 C ASP A 39 54.481 39.510 18.281 1.00 0.00 C ATOM 613 O ASP A 39 54.771 38.704 19.161 1.00 0.00 O ATOM 614 CB ASP A 39 54.494 38.213 16.115 1.00 0.00 C ATOM 615 CG ASP A 39 55.739 38.953 15.620 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.610 39.838 14.747 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.845 38.650 16.118 1.00 0.00 O ATOM 0 H ASP A 39 53.566 40.382 15.470 1.00 0.00 H new ATOM 0 HA ASP A 39 52.847 38.463 17.483 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.796 37.294 16.617 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.882 37.924 15.261 1.00 0.00 H new ATOM 622 N GLN A 40 54.859 40.783 18.358 1.00 0.00 N ATOM 623 CA GLN A 40 55.562 41.350 19.491 1.00 0.00 C ATOM 624 C GLN A 40 54.612 41.917 20.547 1.00 0.00 C ATOM 625 O GLN A 40 54.988 41.998 21.714 1.00 0.00 O ATOM 626 CB GLN A 40 56.578 42.391 19.027 1.00 0.00 C ATOM 627 CG GLN A 40 57.698 41.768 18.198 1.00 0.00 C ATOM 628 CD GLN A 40 58.876 42.708 17.933 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.933 43.853 18.376 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.881 42.254 17.190 1.00 0.00 N ATOM 0 H GLN A 40 54.678 41.459 17.615 1.00 0.00 H new ATOM 0 HA GLN A 40 56.103 40.538 19.977 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.071 43.154 18.436 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.006 42.892 19.895 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.065 40.879 18.712 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.288 41.438 17.243 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.850 41.306 16.814 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.683 42.854 16.996 1.00 0.00 H new ATOM 639 N GLN A 41 53.376 42.247 20.183 1.00 0.00 N ATOM 640 CA GLN A 41 52.350 42.689 21.107 1.00 0.00 C ATOM 641 C GLN A 41 51.734 41.512 21.867 1.00 0.00 C ATOM 642 O GLN A 41 51.164 40.619 21.244 1.00 0.00 O ATOM 643 CB GLN A 41 51.256 43.432 20.347 1.00 0.00 C ATOM 644 CG GLN A 41 51.677 44.691 19.594 1.00 0.00 C ATOM 645 CD GLN A 41 50.508 45.328 18.843 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.402 45.456 19.364 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.665 45.741 17.588 1.00 0.00 N ATOM 0 H GLN A 41 53.058 42.212 19.214 1.00 0.00 H new ATOM 0 HA GLN A 41 52.818 43.355 21.832 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.810 42.741 19.632 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.475 43.705 21.056 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.092 45.413 20.298 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.469 44.443 18.888 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.572 45.647 17.130 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.879 46.151 17.084 1.00 0.00 H new ATOM 656 N ARG A 42 51.740 41.525 23.197 1.00 0.00 N ATOM 657 CA ARG A 42 50.765 40.826 24.009 1.00 0.00 C ATOM 658 C ARG A 42 49.786 41.820 24.636 1.00 0.00 C ATOM 659 O ARG A 42 50.224 42.816 25.208 1.00 0.00 O ATOM 660 CB ARG A 42 51.406 40.005 25.123 1.00 0.00 C ATOM 661 CG ARG A 42 52.197 38.777 24.678 1.00 0.00 C ATOM 662 CD ARG A 42 52.235 37.720 25.779 1.00 0.00 C ATOM 663 NE ARG A 42 52.875 38.152 27.022 1.00 0.00 N ATOM 664 CZ ARG A 42 52.616 37.672 28.246 1.00 0.00 C ATOM 665 NH1 ARG A 42 51.731 36.701 28.511 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.265 38.184 29.300 1.00 0.00 N ATOM 0 H ARG A 42 52.436 42.032 23.744 1.00 0.00 H new ATOM 0 HA ARG A 42 50.243 40.141 23.341 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.072 40.656 25.690 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.621 39.679 25.805 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.745 38.355 23.780 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.213 39.071 24.416 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.214 37.410 26.001 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.760 36.842 25.403 1.00 0.00 H new ATOM 0 HE ARG A 42 53.582 38.884 26.950 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.199 36.274 27.752 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.589 36.389 29.472 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.947 38.930 29.166 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.077 37.828 30.237 1.00 0.00 H new ATOM 680 N LEU A 43 48.488 41.530 24.588 1.00 0.00 N ATOM 681 CA LEU A 43 47.460 42.310 25.248 1.00 0.00 C ATOM 682 C LEU A 43 46.903 41.561 26.460 1.00 0.00 C ATOM 683 O LEU A 43 46.484 40.412 26.338 1.00 0.00 O ATOM 684 CB LEU A 43 46.375 42.722 24.258 1.00 0.00 C ATOM 685 CG LEU A 43 46.849 43.528 23.053 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.650 43.941 22.203 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.611 44.799 23.418 1.00 0.00 C ATOM 0 H LEU A 43 48.120 40.728 24.077 1.00 0.00 H new ATOM 0 HA LEU A 43 47.905 43.230 25.627 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.878 41.822 23.897 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.626 43.307 24.791 1.00 0.00 H new ATOM 0 HG LEU A 43 47.531 42.871 22.513 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.994 44.516 21.344 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.125 43.050 21.857 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.973 44.551 22.801 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.914 45.316 22.507 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.968 45.452 24.009 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.496 44.539 23.999 1.00 0.00 H new ATOM 699 N ILE A 44 46.899 42.210 27.620 1.00 0.00 N ATOM 700 CA ILE A 44 46.504 41.649 28.897 1.00 0.00 C ATOM 701 C ILE A 44 45.315 42.428 29.464 1.00 0.00 C ATOM 702 O ILE A 44 45.327 43.657 29.469 1.00 0.00 O ATOM 703 CB ILE A 44 47.667 41.647 29.885 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.998 41.140 29.334 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.304 40.880 31.153 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.034 39.695 28.846 1.00 0.00 C ATOM 0 H ILE A 44 47.185 43.186 27.693 1.00 0.00 H new ATOM 0 HA ILE A 44 46.206 40.613 28.738 1.00 0.00 H new ATOM 0 HB ILE A 44 47.830 42.701 30.109 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.291 41.786 28.506 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.754 41.255 30.111 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.149 40.893 31.841 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.442 41.349 31.628 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.061 39.849 30.897 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.033 39.459 28.480 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.782 39.027 29.669 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.312 39.565 28.039 1.00 0.00 H new ATOM 718 N PHE A 45 44.304 41.726 29.968 1.00 0.00 N ATOM 719 CA PHE A 45 43.138 42.294 30.614 1.00 0.00 C ATOM 720 C PHE A 45 42.557 41.354 31.672 1.00 0.00 C ATOM 721 O PHE A 45 42.457 40.150 31.450 1.00 0.00 O ATOM 722 CB PHE A 45 42.088 42.621 29.557 1.00 0.00 C ATOM 723 CG PHE A 45 40.797 43.166 30.118 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.730 44.489 30.571 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.677 42.333 30.235 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.552 44.980 31.145 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.500 42.821 30.812 1.00 0.00 C ATOM 728 CZ PHE A 45 38.436 44.143 31.269 1.00 0.00 C ATOM 0 H PHE A 45 44.279 40.707 29.933 1.00 0.00 H new ATOM 0 HA PHE A 45 43.441 43.206 31.129 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.504 43.348 28.860 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.871 41.719 28.985 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.591 45.134 30.477 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.722 41.314 29.880 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.504 46.002 31.491 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.638 42.177 30.905 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.527 44.517 31.717 1.00 0.00 H new ATOM 738 N ALA A 46 42.131 41.902 32.807 1.00 0.00 N ATOM 739 CA ALA A 46 41.552 41.185 33.925 1.00 0.00 C ATOM 740 C ALA A 46 42.356 39.961 34.370 1.00 0.00 C ATOM 741 O ALA A 46 41.789 38.928 34.718 1.00 0.00 O ATOM 742 CB ALA A 46 40.067 40.946 33.667 1.00 0.00 C ATOM 0 H ALA A 46 42.186 42.907 32.974 1.00 0.00 H new ATOM 0 HA ALA A 46 41.618 41.815 34.812 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.634 40.407 34.509 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.559 41.903 33.549 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.946 40.357 32.758 1.00 0.00 H new ATOM 748 N GLY A 47 43.681 40.065 34.338 1.00 0.00 N ATOM 749 CA GLY A 47 44.627 39.054 34.762 1.00 0.00 C ATOM 750 C GLY A 47 44.983 37.980 33.731 1.00 0.00 C ATOM 751 O GLY A 47 45.823 37.138 34.043 1.00 0.00 O ATOM 0 H GLY A 47 44.143 40.907 33.995 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.547 39.553 35.067 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.225 38.559 35.646 1.00 0.00 H new ATOM 755 N LYS A 48 44.404 37.984 32.534 1.00 0.00 N ATOM 756 CA LYS A 48 44.610 36.985 31.505 1.00 0.00 C ATOM 757 C LYS A 48 45.061 37.598 30.177 1.00 0.00 C ATOM 758 O LYS A 48 44.768 38.754 29.881 1.00 0.00 O ATOM 759 CB LYS A 48 43.340 36.162 31.298 1.00 0.00 C ATOM 760 CG LYS A 48 42.827 35.379 32.502 1.00 0.00 C ATOM 761 CD LYS A 48 43.754 34.276 33.003 1.00 0.00 C ATOM 762 CE LYS A 48 42.987 33.386 33.978 1.00 0.00 C ATOM 763 NZ LYS A 48 43.822 32.301 34.514 1.00 0.00 N ATOM 0 H LYS A 48 43.753 38.716 32.249 1.00 0.00 H new ATOM 0 HA LYS A 48 45.412 36.334 31.851 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.549 36.835 30.968 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.520 35.458 30.486 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.645 36.078 33.319 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.866 34.934 32.243 1.00 0.00 H new ATOM 0 HD2 LYS A 48 44.123 33.685 32.165 1.00 0.00 H new ATOM 0 HD3 LYS A 48 44.624 34.710 33.495 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.610 33.993 34.801 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.120 32.960 33.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.260 31.723 35.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 44.161 31.705 33.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 44.636 32.706 35.019 1.00 0.00 H new ATOM 777 N GLN A 49 45.751 36.806 29.362 1.00 0.00 N ATOM 778 CA GLN A 49 46.146 37.175 28.018 1.00 0.00 C ATOM 779 C GLN A 49 44.981 37.074 27.031 1.00 0.00 C ATOM 780 O GLN A 49 44.257 36.082 27.003 1.00 0.00 O ATOM 781 CB GLN A 49 47.332 36.309 27.607 1.00 0.00 C ATOM 782 CG GLN A 49 47.862 36.581 26.202 1.00 0.00 C ATOM 783 CD GLN A 49 49.168 35.833 25.932 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.881 35.400 26.834 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.602 35.691 24.682 1.00 0.00 N ATOM 0 H GLN A 49 46.055 35.870 29.629 1.00 0.00 H new ATOM 0 HA GLN A 49 46.448 38.222 28.002 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.141 36.461 28.322 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.040 35.261 27.674 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.114 36.283 25.467 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.024 37.652 26.076 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.040 36.037 23.905 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.497 35.236 24.501 1.00 0.00 H new ATOM 794 N LEU A 50 44.840 38.092 26.187 1.00 0.00 N ATOM 795 CA LEU A 50 43.882 38.157 25.102 1.00 0.00 C ATOM 796 C LEU A 50 44.503 37.583 23.826 1.00 0.00 C ATOM 797 O LEU A 50 45.574 38.008 23.399 1.00 0.00 O ATOM 798 CB LEU A 50 43.411 39.597 24.917 1.00 0.00 C ATOM 799 CG LEU A 50 42.854 40.297 26.153 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.449 41.719 25.774 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.626 39.586 26.714 1.00 0.00 C ATOM 0 H LEU A 50 45.420 38.929 26.249 1.00 0.00 H new ATOM 0 HA LEU A 50 43.007 37.553 25.340 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.249 40.184 24.541 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.643 39.608 24.144 1.00 0.00 H new ATOM 0 HG LEU A 50 43.633 40.289 26.916 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.049 42.229 26.650 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.321 42.260 25.406 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.687 41.685 24.995 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.266 40.121 27.593 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.842 39.562 25.957 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.892 38.567 26.994 1.00 0.00 H new ATOM 813 N GLU A 51 43.849 36.583 23.243 1.00 0.00 N ATOM 814 CA GLU A 51 44.444 35.671 22.287 1.00 0.00 C ATOM 815 C GLU A 51 44.228 36.073 20.828 1.00 0.00 C ATOM 816 O GLU A 51 43.127 36.443 20.425 1.00 0.00 O ATOM 817 CB GLU A 51 43.868 34.276 22.514 1.00 0.00 C ATOM 818 CG GLU A 51 44.175 33.694 23.891 1.00 0.00 C ATOM 819 CD GLU A 51 43.228 32.529 24.187 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.410 32.647 25.125 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.283 31.508 23.468 1.00 0.00 O ATOM 0 H GLU A 51 42.866 36.384 23.431 1.00 0.00 H new ATOM 0 HA GLU A 51 45.521 35.696 22.456 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.787 34.314 22.380 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.260 33.604 21.751 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.209 33.352 23.928 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.067 34.465 24.654 1.00 0.00 H new ATOM 828 N ASP A 52 45.264 35.914 20.010 1.00 0.00 N ATOM 829 CA ASP A 52 45.216 36.155 18.581 1.00 0.00 C ATOM 830 C ASP A 52 44.126 35.319 17.908 1.00 0.00 C ATOM 831 O ASP A 52 44.228 34.099 17.798 1.00 0.00 O ATOM 832 CB ASP A 52 46.587 35.903 17.961 1.00 0.00 C ATOM 833 CG ASP A 52 47.623 36.948 18.381 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.844 37.924 17.632 1.00 0.00 O ATOM 835 OD2 ASP A 52 48.228 36.825 19.468 1.00 0.00 O ATOM 0 H ASP A 52 46.180 35.606 20.336 1.00 0.00 H new ATOM 0 HA ASP A 52 44.955 37.200 18.415 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.937 34.912 18.252 1.00 0.00 H new ATOM 0 HB3 ASP A 52 46.496 35.903 16.875 1.00 0.00 H new ATOM 840 N GLY A 53 43.067 35.999 17.480 1.00 0.00 N ATOM 841 CA GLY A 53 41.893 35.476 16.810 1.00 0.00 C ATOM 842 C GLY A 53 40.590 35.547 17.610 1.00 0.00 C ATOM 843 O GLY A 53 39.527 35.603 16.994 1.00 0.00 O ATOM 0 H GLY A 53 43.008 37.010 17.605 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.756 36.022 15.877 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.080 34.435 16.546 1.00 0.00 H new ATOM 847 N ARG A 54 40.634 35.622 18.936 1.00 0.00 N ATOM 848 CA ARG A 54 39.461 35.777 19.773 1.00 0.00 C ATOM 849 C ARG A 54 38.943 37.217 19.750 1.00 0.00 C ATOM 850 O ARG A 54 39.689 38.132 19.407 1.00 0.00 O ATOM 851 CB ARG A 54 39.718 35.251 21.181 1.00 0.00 C ATOM 852 CG ARG A 54 39.901 33.737 21.202 1.00 0.00 C ATOM 853 CD ARG A 54 40.006 33.122 22.595 1.00 0.00 C ATOM 854 NE ARG A 54 38.788 33.300 23.385 1.00 0.00 N ATOM 855 CZ ARG A 54 38.673 33.201 24.716 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.685 32.855 25.524 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.507 33.450 25.328 1.00 0.00 N ATOM 0 H ARG A 54 41.505 35.575 19.464 1.00 0.00 H new ATOM 0 HA ARG A 54 38.660 35.165 19.359 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.608 35.729 21.590 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.884 35.524 21.828 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.062 33.277 20.680 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.802 33.487 20.641 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.221 32.058 22.502 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.846 33.572 23.124 1.00 0.00 H new ATOM 0 HE ARG A 54 37.937 33.523 22.868 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.604 32.650 25.131 1.00 0.00 H new ATOM 0 HH12 ARG A 54 39.536 32.796 26.531 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.690 33.719 24.779 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.436 33.370 26.342 1.00 0.00 H new ATOM 871 N THR A 55 37.671 37.423 20.081 1.00 0.00 N ATOM 872 CA THR A 55 36.968 38.684 19.957 1.00 0.00 C ATOM 873 C THR A 55 36.699 39.388 21.288 1.00 0.00 C ATOM 874 O THR A 55 36.537 38.747 22.325 1.00 0.00 O ATOM 875 CB THR A 55 35.664 38.541 19.178 1.00 0.00 C ATOM 876 OG1 THR A 55 34.855 37.506 19.692 1.00 0.00 O ATOM 877 CG2 THR A 55 35.901 38.204 17.708 1.00 0.00 C ATOM 0 H THR A 55 37.083 36.680 20.458 1.00 0.00 H new ATOM 0 HA THR A 55 37.655 39.318 19.396 1.00 0.00 H new ATOM 0 HB THR A 55 35.173 39.509 19.277 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.029 37.446 19.169 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.943 38.113 17.197 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.486 38.997 17.243 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.443 37.261 17.634 1.00 0.00 H new ATOM 885 N LEU A 56 36.622 40.716 21.268 1.00 0.00 N ATOM 886 CA LEU A 56 36.441 41.532 22.452 1.00 0.00 C ATOM 887 C LEU A 56 35.145 41.222 23.204 1.00 0.00 C ATOM 888 O LEU A 56 35.136 41.179 24.432 1.00 0.00 O ATOM 889 CB LEU A 56 36.483 43.006 22.064 1.00 0.00 C ATOM 890 CG LEU A 56 37.804 43.525 21.505 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.628 44.979 21.076 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.938 43.464 22.524 1.00 0.00 C ATOM 0 H LEU A 56 36.686 41.260 20.408 1.00 0.00 H new ATOM 0 HA LEU A 56 37.258 41.296 23.134 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.705 43.186 21.323 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.229 43.598 22.943 1.00 0.00 H new ATOM 0 HG LEU A 56 38.070 42.885 20.663 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.569 45.357 20.675 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.856 45.041 20.309 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.333 45.579 21.937 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.854 43.845 22.072 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.681 44.072 23.391 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.091 42.431 22.837 1.00 0.00 H new ATOM 904 N SER A 57 34.062 40.959 22.476 1.00 0.00 N ATOM 905 CA SER A 57 32.794 40.514 23.016 1.00 0.00 C ATOM 906 C SER A 57 32.880 39.154 23.713 1.00 0.00 C ATOM 907 O SER A 57 32.268 38.992 24.767 1.00 0.00 O ATOM 908 CB SER A 57 31.706 40.463 21.949 1.00 0.00 C ATOM 909 OG SER A 57 32.171 39.952 20.719 1.00 0.00 O ATOM 0 H SER A 57 34.050 41.055 21.461 1.00 0.00 H new ATOM 0 HA SER A 57 32.529 41.260 23.765 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.882 39.845 22.306 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.308 41.466 21.794 1.00 0.00 H new ATOM 0 HG SER A 57 32.589 40.672 20.203 1.00 0.00 H new ATOM 915 N ASP A 58 33.674 38.208 23.218 1.00 0.00 N ATOM 916 CA ASP A 58 33.837 36.916 23.853 1.00 0.00 C ATOM 917 C ASP A 58 34.556 37.006 25.200 1.00 0.00 C ATOM 918 O ASP A 58 34.263 36.232 26.110 1.00 0.00 O ATOM 919 CB ASP A 58 34.549 35.960 22.899 1.00 0.00 C ATOM 920 CG ASP A 58 34.332 34.501 23.304 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.181 34.030 23.178 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.305 33.811 23.678 1.00 0.00 O ATOM 0 H ASP A 58 34.220 38.322 22.364 1.00 0.00 H new ATOM 0 HA ASP A 58 32.844 36.525 24.073 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.182 36.116 21.885 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.616 36.181 22.889 1.00 0.00 H new ATOM 927 N TYR A 59 35.418 38.005 25.366 1.00 0.00 N ATOM 928 CA TYR A 59 36.026 38.397 26.622 1.00 0.00 C ATOM 929 C TYR A 59 35.171 39.331 27.481 1.00 0.00 C ATOM 930 O TYR A 59 35.603 39.701 28.571 1.00 0.00 O ATOM 931 CB TYR A 59 37.395 39.010 26.340 1.00 0.00 C ATOM 932 CG TYR A 59 38.434 38.032 25.845 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.901 37.038 26.713 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.972 38.154 24.558 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.913 36.160 26.303 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.000 37.299 24.143 1.00 0.00 C ATOM 937 CZ TYR A 59 40.468 36.296 25.016 1.00 0.00 C ATOM 938 OH TYR A 59 41.477 35.468 24.622 1.00 0.00 O ATOM 0 H TYR A 59 35.723 38.588 24.587 1.00 0.00 H new ATOM 0 HA TYR A 59 36.125 37.491 27.220 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.278 39.801 25.599 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.763 39.479 27.252 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.479 36.947 27.703 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.593 38.909 23.885 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.264 35.385 26.968 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.432 37.407 23.159 1.00 0.00 H new ATOM 0 HH TYR A 59 41.452 34.645 25.154 1.00 0.00 H new ATOM 948 N ASN A 60 33.972 39.701 27.045 1.00 0.00 N ATOM 949 CA ASN A 60 33.043 40.562 27.748 1.00 0.00 C ATOM 950 C ASN A 60 33.614 41.932 28.119 1.00 0.00 C ATOM 951 O ASN A 60 33.330 42.454 29.196 1.00 0.00 O ATOM 952 CB ASN A 60 32.417 39.779 28.899 1.00 0.00 C ATOM 953 CG ASN A 60 31.122 40.386 29.443 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.363 41.058 28.749 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.781 40.109 30.698 1.00 0.00 N ATOM 0 H ASN A 60 33.608 39.389 26.144 1.00 0.00 H new ATOM 0 HA ASN A 60 32.239 40.844 27.068 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.215 38.762 28.563 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.141 39.709 29.711 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.898 40.453 31.074 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.403 39.552 31.284 1.00 0.00 H new ATOM 962 N ILE A 61 34.427 42.527 27.251 1.00 0.00 N ATOM 963 CA ILE A 61 35.077 43.807 27.453 1.00 0.00 C ATOM 964 C ILE A 61 34.099 44.958 27.203 1.00 0.00 C ATOM 965 O ILE A 61 33.196 44.836 26.380 1.00 0.00 O ATOM 966 CB ILE A 61 36.346 43.880 26.607 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.368 42.858 27.098 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.975 45.270 26.595 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.523 42.592 26.138 1.00 0.00 C ATOM 0 H ILE A 61 34.657 42.108 26.350 1.00 0.00 H new ATOM 0 HA ILE A 61 35.388 43.908 28.493 1.00 0.00 H new ATOM 0 HB ILE A 61 36.050 43.651 25.583 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.776 43.202 28.048 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.854 41.917 27.294 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.873 45.258 25.977 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.263 45.988 26.187 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.239 45.559 27.612 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.196 41.853 26.574 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.131 42.214 25.194 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.068 43.519 25.959 1.00 0.00 H new ATOM 981 N GLN A 62 34.253 46.067 27.921 1.00 0.00 N ATOM 982 CA GLN A 62 33.345 47.197 27.929 1.00 0.00 C ATOM 983 C GLN A 62 34.036 48.530 27.635 1.00 0.00 C ATOM 984 O GLN A 62 35.260 48.636 27.669 1.00 0.00 O ATOM 985 CB GLN A 62 32.620 47.236 29.272 1.00 0.00 C ATOM 986 CG GLN A 62 31.725 46.023 29.506 1.00 0.00 C ATOM 987 CD GLN A 62 31.022 46.051 30.864 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.476 46.645 31.840 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.884 45.378 31.006 1.00 0.00 N ATOM 0 H GLN A 62 35.053 46.203 28.540 1.00 0.00 H new ATOM 0 HA GLN A 62 32.629 47.058 27.119 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.356 47.297 30.074 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.015 48.141 29.325 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.975 45.974 28.716 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.325 45.116 29.433 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.486 44.877 30.212 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.409 45.363 31.909 1.00 0.00 H new ATOM 998 N LYS A 63 33.255 49.561 27.326 1.00 0.00 N ATOM 999 CA LYS A 63 33.725 50.864 26.898 1.00 0.00 C ATOM 1000 C LYS A 63 34.435 51.688 27.974 1.00 0.00 C ATOM 1001 O LYS A 63 34.116 51.617 29.158 1.00 0.00 O ATOM 1002 CB LYS A 63 32.584 51.640 26.247 1.00 0.00 C ATOM 1003 CG LYS A 63 31.507 52.144 27.204 1.00 0.00 C ATOM 1004 CD LYS A 63 31.673 53.613 27.579 1.00 0.00 C ATOM 1005 CE LYS A 63 30.622 54.029 28.603 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.495 55.491 28.704 1.00 0.00 N ATOM 0 H LYS A 63 32.238 49.504 27.370 1.00 0.00 H new ATOM 0 HA LYS A 63 34.507 50.673 26.163 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.004 52.495 25.717 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.113 51.002 25.500 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.528 52.001 26.746 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.525 51.540 28.111 1.00 0.00 H new ATOM 0 HD2 LYS A 63 32.670 53.779 27.986 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.585 54.234 26.687 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.659 53.600 28.327 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.885 53.620 29.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.886 55.732 29.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.436 55.912 28.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.073 55.864 27.830 1.00 0.00 H new ATOM 1020 N GLU A 64 35.392 52.501 27.533 1.00 0.00 N ATOM 1021 CA GLU A 64 36.287 53.340 28.304 1.00 0.00 C ATOM 1022 C GLU A 64 37.150 52.592 29.321 1.00 0.00 C ATOM 1023 O GLU A 64 37.848 53.208 30.124 1.00 0.00 O ATOM 1024 CB GLU A 64 35.564 54.562 28.863 1.00 0.00 C ATOM 1025 CG GLU A 64 35.118 55.552 27.790 1.00 0.00 C ATOM 1026 CD GLU A 64 34.314 56.697 28.408 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.863 57.808 28.574 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.123 56.498 28.732 1.00 0.00 O ATOM 0 H GLU A 64 35.572 52.593 26.533 1.00 0.00 H new ATOM 0 HA GLU A 64 37.030 53.717 27.601 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.691 54.231 29.426 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.222 55.073 29.566 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.990 55.952 27.273 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.513 55.038 27.044 1.00 0.00 H new ATOM 1035 N SER A 65 37.177 51.264 29.263 1.00 0.00 N ATOM 1036 CA SER A 65 38.100 50.424 30.000 1.00 0.00 C ATOM 1037 C SER A 65 39.541 50.547 29.499 1.00 0.00 C ATOM 1038 O SER A 65 39.785 50.808 28.324 1.00 0.00 O ATOM 1039 CB SER A 65 37.647 48.970 29.929 1.00 0.00 C ATOM 1040 OG SER A 65 36.374 48.835 30.521 1.00 0.00 O ATOM 0 H SER A 65 36.533 50.730 28.680 1.00 0.00 H new ATOM 0 HA SER A 65 38.091 50.768 31.034 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.611 48.641 28.890 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.366 48.330 30.441 1.00 0.00 H new ATOM 0 HG SER A 65 35.696 48.740 29.820 1.00 0.00 H new ATOM 1046 N THR A 66 40.499 50.292 30.387 1.00 0.00 N ATOM 1047 CA THR A 66 41.908 50.184 30.068 1.00 0.00 C ATOM 1048 C THR A 66 42.345 48.718 30.027 1.00 0.00 C ATOM 1049 O THR A 66 42.009 47.945 30.921 1.00 0.00 O ATOM 1050 CB THR A 66 42.768 50.978 31.047 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.426 52.346 30.996 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.263 50.930 30.744 1.00 0.00 C ATOM 0 H THR A 66 40.303 50.151 31.378 1.00 0.00 H new ATOM 0 HA THR A 66 42.054 50.615 29.077 1.00 0.00 H new ATOM 0 HB THR A 66 42.576 50.516 32.016 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.982 52.846 31.629 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.804 51.519 31.485 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.608 49.897 30.779 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.446 51.340 29.751 1.00 0.00 H new ATOM 1060 N LEU A 67 43.146 48.357 29.029 1.00 0.00 N ATOM 1061 CA LEU A 67 43.908 47.127 28.958 1.00 0.00 C ATOM 1062 C LEU A 67 45.393 47.424 28.736 1.00 0.00 C ATOM 1063 O LEU A 67 45.767 48.565 28.473 1.00 0.00 O ATOM 1064 CB LEU A 67 43.267 46.176 27.950 1.00 0.00 C ATOM 1065 CG LEU A 67 43.288 46.575 26.478 1.00 0.00 C ATOM 1066 CD1 LEU A 67 44.625 46.293 25.798 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.233 45.776 25.721 1.00 0.00 C ATOM 0 H LEU A 67 43.284 48.948 28.209 1.00 0.00 H new ATOM 0 HA LEU A 67 43.877 46.598 29.910 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.762 45.209 28.041 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.227 46.031 28.242 1.00 0.00 H new ATOM 0 HG LEU A 67 43.100 47.648 26.453 1.00 0.00 H new ATOM 0 HD11 LEU A 67 44.574 46.599 24.753 1.00 0.00 H new ATOM 0 HD12 LEU A 67 45.414 46.851 26.302 1.00 0.00 H new ATOM 0 HD13 LEU A 67 44.843 45.227 25.853 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.247 46.060 24.669 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.448 44.711 25.812 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.249 45.984 26.140 1.00 0.00 H new ATOM 1079 N HIS A 68 46.259 46.423 28.865 1.00 0.00 N ATOM 1080 CA HIS A 68 47.690 46.624 28.968 1.00 0.00 C ATOM 1081 C HIS A 68 48.455 45.951 27.826 1.00 0.00 C ATOM 1082 O HIS A 68 48.175 44.802 27.492 1.00 0.00 O ATOM 1083 CB HIS A 68 48.157 46.134 30.336 1.00 0.00 C ATOM 1084 CG HIS A 68 47.462 46.838 31.469 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.943 47.966 32.131 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.251 46.495 32.014 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.010 48.304 33.022 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.979 47.442 32.982 1.00 0.00 N ATOM 0 H HIS A 68 45.979 45.443 28.901 1.00 0.00 H new ATOM 0 HA HIS A 68 47.905 47.688 28.875 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.978 45.062 30.415 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.233 46.285 30.424 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.633 45.652 31.741 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.074 49.154 33.685 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.143 47.481 33.564 1.00 0.00 H new ATOM 1096 N LEU A 69 49.432 46.648 27.253 1.00 0.00 N ATOM 1097 CA LEU A 69 50.391 46.102 26.313 1.00 0.00 C ATOM 1098 C LEU A 69 51.643 45.640 27.062 1.00 0.00 C ATOM 1099 O LEU A 69 52.205 46.395 27.853 1.00 0.00 O ATOM 1100 CB LEU A 69 50.694 47.153 25.249 1.00 0.00 C ATOM 1101 CG LEU A 69 51.798 46.814 24.252 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.501 45.581 23.403 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.000 47.988 23.297 1.00 0.00 C ATOM 0 H LEU A 69 49.578 47.640 27.440 1.00 0.00 H new ATOM 0 HA LEU A 69 49.984 45.226 25.808 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.778 47.347 24.691 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.963 48.081 25.753 1.00 0.00 H new ATOM 0 HG LEU A 69 52.686 46.607 24.849 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.330 45.402 22.718 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.373 44.715 24.052 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.587 45.744 22.832 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.789 47.746 22.585 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.072 48.183 22.759 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.283 48.874 23.865 1.00 0.00 H new ATOM 1115 N VAL A 70 52.089 44.415 26.800 1.00 0.00 N ATOM 1116 CA VAL A 70 53.331 43.851 27.292 1.00 0.00 C ATOM 1117 C VAL A 70 54.079 43.147 26.159 1.00 0.00 C ATOM 1118 O VAL A 70 53.473 42.810 25.143 1.00 0.00 O ATOM 1119 CB VAL A 70 53.112 42.951 28.504 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.322 43.630 29.620 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.424 41.625 28.194 1.00 0.00 C ATOM 0 H VAL A 70 51.568 43.764 26.213 1.00 0.00 H new ATOM 0 HA VAL A 70 53.962 44.667 27.644 1.00 0.00 H new ATOM 0 HB VAL A 70 54.131 42.746 28.833 1.00 0.00 H new ATOM 0 HG11 VAL A 70 52.200 42.938 30.453 1.00 0.00 H new ATOM 0 HG12 VAL A 70 52.860 44.515 29.960 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.341 43.923 29.245 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.310 41.051 29.113 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.442 41.817 27.762 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.028 41.059 27.485 1.00 0.00 H new