USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 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= 0.591 K(o=1.3,f=-1.1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.667 K(o=1.3,f=-0.51) USER MOD Set 2.1: A 55 THR OG1 : rot -54:sc= 2.56 USER MOD Set 2.2: A 57 SER OG : rot -31:sc= 1.21 USER MOD Set 3.1: A 22 THR OG1 : rot -73:sc= 1.16 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.59 K(o=2.7,f=-6.5!) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.015) USER MOD Single : A 1 MET N :NH3+ -156:sc= 2.1 (180deg=1.48) USER MOD Single : A 2 GLN : amide:sc= 0.882 K(o=0.88,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0.926 (180deg=0.739) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.289 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.2) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= 2.46 (180deg=2.16) USER MOD Single : A 31 GLN : amide:sc= -0.772 X(o=-0.77,f=-0.97) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc=-0.00476 (180deg=-0.0385) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 41 GLN : amide:sc= 1.36 K(o=1.4,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-5.92e-05 K(o=-5.9e-05,f=-0.65) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.196 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.897 51.732 20.158 1.00 0.00 N ATOM 2 CA MET A 1 33.271 51.949 21.565 1.00 0.00 C ATOM 3 C MET A 1 34.756 52.303 21.665 1.00 0.00 C ATOM 4 O MET A 1 35.547 51.830 20.852 1.00 0.00 O ATOM 5 CB MET A 1 32.891 50.783 22.474 1.00 0.00 C ATOM 6 CG MET A 1 33.713 49.505 22.332 1.00 0.00 C ATOM 7 SD MET A 1 33.241 48.199 23.493 1.00 0.00 S ATOM 8 CE MET A 1 34.448 46.942 23.005 1.00 0.00 C ATOM 0 H1 MET A 1 31.877 51.895 20.041 1.00 0.00 H new ATOM 0 H2 MET A 1 33.425 52.392 19.553 1.00 0.00 H new ATOM 0 H3 MET A 1 33.125 50.755 19.885 1.00 0.00 H new ATOM 0 HA MET A 1 32.689 52.795 21.932 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.963 51.120 23.508 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.845 50.536 22.291 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.609 49.128 21.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.767 49.744 22.477 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.234 46.010 23.528 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.387 46.777 21.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.451 47.281 23.264 1.00 0.00 H new ATOM 20 N GLN A 2 35.145 53.088 22.666 1.00 0.00 N ATOM 21 CA GLN A 2 36.540 53.321 22.979 1.00 0.00 C ATOM 22 C GLN A 2 37.098 52.175 23.825 1.00 0.00 C ATOM 23 O GLN A 2 36.393 51.685 24.705 1.00 0.00 O ATOM 24 CB GLN A 2 36.740 54.634 23.731 1.00 0.00 C ATOM 25 CG GLN A 2 36.274 55.871 22.969 1.00 0.00 C ATOM 26 CD GLN A 2 36.233 57.121 23.852 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.951 58.096 23.647 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.372 57.145 24.866 1.00 0.00 N ATOM 0 H GLN A 2 34.495 53.579 23.281 1.00 0.00 H new ATOM 0 HA GLN A 2 37.074 53.378 22.031 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.204 54.582 24.679 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.798 54.745 23.969 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.942 56.047 22.126 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.282 55.688 22.557 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.771 56.340 25.044 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.312 57.968 25.465 1.00 0.00 H new ATOM 37 N ILE A 3 38.370 51.835 23.641 1.00 0.00 N ATOM 38 CA ILE A 3 39.186 51.164 24.633 1.00 0.00 C ATOM 39 C ILE A 3 40.541 51.862 24.758 1.00 0.00 C ATOM 40 O ILE A 3 40.994 52.514 23.819 1.00 0.00 O ATOM 41 CB ILE A 3 39.338 49.665 24.388 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.035 49.345 23.069 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.993 48.955 24.518 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.353 47.868 22.858 1.00 0.00 C ATOM 0 H ILE A 3 38.870 52.026 22.773 1.00 0.00 H new ATOM 0 HA ILE A 3 38.659 51.242 25.584 1.00 0.00 H new ATOM 0 HB ILE A 3 39.997 49.279 25.166 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.405 49.688 22.248 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.963 49.914 23.017 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.126 47.888 24.339 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.596 49.108 25.522 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.295 49.361 23.786 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.847 47.736 21.895 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.011 47.520 23.654 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.428 47.291 22.873 1.00 0.00 H new ATOM 56 N PHE A 4 41.198 51.713 25.905 1.00 0.00 N ATOM 57 CA PHE A 4 42.439 52.384 26.236 1.00 0.00 C ATOM 58 C PHE A 4 43.549 51.379 26.548 1.00 0.00 C ATOM 59 O PHE A 4 43.360 50.498 27.384 1.00 0.00 O ATOM 60 CB PHE A 4 42.207 53.310 27.427 1.00 0.00 C ATOM 61 CG PHE A 4 41.086 54.309 27.271 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.182 55.333 26.321 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.960 54.239 28.100 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.162 56.286 26.208 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.944 55.196 27.991 1.00 0.00 C ATOM 66 CZ PHE A 4 39.039 56.221 27.042 1.00 0.00 C ATOM 0 H PHE A 4 40.865 51.101 26.650 1.00 0.00 H new ATOM 0 HA PHE A 4 42.761 52.969 25.375 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.004 52.698 28.306 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.130 53.855 27.625 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.045 55.388 25.674 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.875 53.444 28.826 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.242 57.075 25.474 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.084 55.143 28.642 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.252 56.956 26.954 1.00 0.00 H new ATOM 76 N VAL A 5 44.710 51.488 25.907 1.00 0.00 N ATOM 77 CA VAL A 5 45.803 50.549 26.044 1.00 0.00 C ATOM 78 C VAL A 5 47.055 51.254 26.570 1.00 0.00 C ATOM 79 O VAL A 5 47.589 52.131 25.895 1.00 0.00 O ATOM 80 CB VAL A 5 46.066 49.822 24.729 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.112 48.729 24.925 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.803 49.174 24.170 1.00 0.00 C ATOM 0 H VAL A 5 44.915 52.253 25.264 1.00 0.00 H new ATOM 0 HA VAL A 5 45.521 49.793 26.777 1.00 0.00 H new ATOM 0 HB VAL A 5 46.422 50.573 24.024 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.288 48.220 23.977 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.043 49.175 25.276 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.754 48.010 25.662 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.038 48.668 23.234 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.418 48.449 24.887 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.050 49.941 23.989 1.00 0.00 H new ATOM 92 N LYS A 6 47.523 50.872 27.756 1.00 0.00 N ATOM 93 CA LYS A 6 48.637 51.466 28.467 1.00 0.00 C ATOM 94 C LYS A 6 49.924 50.651 28.321 1.00 0.00 C ATOM 95 O LYS A 6 49.909 49.431 28.471 1.00 0.00 O ATOM 96 CB LYS A 6 48.231 51.685 29.921 1.00 0.00 C ATOM 97 CG LYS A 6 49.267 52.481 30.710 1.00 0.00 C ATOM 98 CD LYS A 6 48.816 52.823 32.127 1.00 0.00 C ATOM 99 CE LYS A 6 47.688 53.852 32.153 1.00 0.00 C ATOM 100 NZ LYS A 6 47.249 54.135 33.528 1.00 0.00 N ATOM 0 H LYS A 6 47.107 50.095 28.270 1.00 0.00 H new ATOM 0 HA LYS A 6 48.872 52.433 28.023 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.276 52.209 29.952 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.080 50.718 30.401 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.194 51.909 30.759 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.490 53.404 30.175 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.485 51.914 32.628 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.666 53.207 32.692 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.025 54.775 31.680 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.845 53.484 31.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.482 54.837 33.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.905 53.259 33.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.049 54.509 34.078 1.00 0.00 H new ATOM 168 N LYS A 11 52.650 55.471 28.306 1.00 0.00 N ATOM 169 CA LYS A 11 51.799 56.014 27.265 1.00 0.00 C ATOM 170 C LYS A 11 50.460 55.276 27.242 1.00 0.00 C ATOM 171 O LYS A 11 50.448 54.054 27.375 1.00 0.00 O ATOM 172 CB LYS A 11 52.524 55.925 25.925 1.00 0.00 C ATOM 173 CG LYS A 11 51.772 56.626 24.797 1.00 0.00 C ATOM 174 CD LYS A 11 52.381 56.432 23.411 1.00 0.00 C ATOM 175 CE LYS A 11 53.786 57.003 23.251 1.00 0.00 C ATOM 176 NZ LYS A 11 54.147 57.082 21.827 1.00 0.00 N ATOM 0 HA LYS A 11 51.585 57.064 27.466 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.516 56.367 26.024 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.667 54.877 25.663 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.745 56.262 24.782 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.729 57.693 25.015 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.408 55.366 23.186 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.728 56.897 22.673 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.836 57.994 23.701 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.503 56.376 23.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.037 57.610 21.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.267 56.122 21.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.392 57.570 21.304 1.00 0.00 H new ATOM 190 N THR A 12 49.354 55.975 27.001 1.00 0.00 N ATOM 191 CA THR A 12 48.063 55.393 26.690 1.00 0.00 C ATOM 192 C THR A 12 47.683 55.654 25.232 1.00 0.00 C ATOM 193 O THR A 12 47.789 56.777 24.746 1.00 0.00 O ATOM 194 CB THR A 12 46.977 55.877 27.646 1.00 0.00 C ATOM 195 OG1 THR A 12 47.193 55.334 28.929 1.00 0.00 O ATOM 196 CG2 THR A 12 45.570 55.428 27.261 1.00 0.00 C ATOM 0 H THR A 12 49.337 56.995 27.019 1.00 0.00 H new ATOM 0 HA THR A 12 48.148 54.315 26.826 1.00 0.00 H new ATOM 0 HB THR A 12 47.039 56.965 27.612 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.494 55.649 29.539 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.854 55.811 27.988 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.323 55.813 26.271 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.526 54.339 27.248 1.00 0.00 H new ATOM 204 N ILE A 13 47.196 54.623 24.546 1.00 0.00 N ATOM 205 CA ILE A 13 46.648 54.665 23.206 1.00 0.00 C ATOM 206 C ILE A 13 45.129 54.485 23.272 1.00 0.00 C ATOM 207 O ILE A 13 44.655 53.571 23.941 1.00 0.00 O ATOM 208 CB ILE A 13 47.287 53.604 22.316 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.813 53.630 22.313 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.767 53.707 20.884 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.443 54.947 21.868 1.00 0.00 C ATOM 0 H ILE A 13 47.175 53.683 24.941 1.00 0.00 H new ATOM 0 HA ILE A 13 46.872 55.635 22.763 1.00 0.00 H new ATOM 0 HB ILE A 13 46.993 52.649 22.752 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.166 53.399 23.318 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.172 52.835 21.659 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.238 52.940 20.270 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.686 53.564 20.878 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.005 54.691 20.480 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.529 54.860 21.902 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.128 55.175 20.850 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.122 55.747 22.535 1.00 0.00 H new ATOM 223 N THR A 14 44.375 55.317 22.559 1.00 0.00 N ATOM 224 CA THR A 14 42.930 55.262 22.468 1.00 0.00 C ATOM 225 C THR A 14 42.505 54.645 21.134 1.00 0.00 C ATOM 226 O THR A 14 42.841 55.170 20.074 1.00 0.00 O ATOM 227 CB THR A 14 42.331 56.655 22.637 1.00 0.00 C ATOM 228 OG1 THR A 14 42.679 57.181 23.899 1.00 0.00 O ATOM 229 CG2 THR A 14 40.806 56.671 22.578 1.00 0.00 C ATOM 0 H THR A 14 44.776 56.076 22.009 1.00 0.00 H new ATOM 0 HA THR A 14 42.553 54.631 23.273 1.00 0.00 H new ATOM 0 HB THR A 14 42.730 57.243 21.810 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.015 56.903 24.564 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.448 57.693 22.705 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.475 56.288 21.613 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.404 56.044 23.374 1.00 0.00 H new ATOM 237 N LEU A 15 41.758 53.545 21.181 1.00 0.00 N ATOM 238 CA LEU A 15 41.332 52.783 20.025 1.00 0.00 C ATOM 239 C LEU A 15 39.811 52.826 19.871 1.00 0.00 C ATOM 240 O LEU A 15 39.097 52.698 20.864 1.00 0.00 O ATOM 241 CB LEU A 15 41.791 51.334 20.161 1.00 0.00 C ATOM 242 CG LEU A 15 43.272 51.113 20.459 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.541 49.622 20.636 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.177 51.625 19.342 1.00 0.00 C ATOM 0 H LEU A 15 41.424 53.151 22.060 1.00 0.00 H new ATOM 0 HA LEU A 15 41.783 53.229 19.138 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.210 50.865 20.955 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.547 50.811 19.236 1.00 0.00 H new ATOM 0 HG LEU A 15 43.497 51.670 21.368 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.599 49.466 20.849 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.944 49.240 21.464 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.273 49.093 19.722 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.219 51.443 19.605 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.941 51.104 18.414 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.019 52.695 19.207 1.00 0.00 H new ATOM 256 N GLU A 16 39.319 52.924 18.639 1.00 0.00 N ATOM 257 CA GLU A 16 37.915 52.778 18.307 1.00 0.00 C ATOM 258 C GLU A 16 37.650 51.369 17.776 1.00 0.00 C ATOM 259 O GLU A 16 38.269 50.928 16.810 1.00 0.00 O ATOM 260 CB GLU A 16 37.513 53.868 17.317 1.00 0.00 C ATOM 261 CG GLU A 16 36.099 53.758 16.753 1.00 0.00 C ATOM 262 CD GLU A 16 34.997 53.794 17.815 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.870 54.813 18.529 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.214 52.824 17.904 1.00 0.00 O ATOM 0 H GLU A 16 39.906 53.112 17.826 1.00 0.00 H new ATOM 0 HA GLU A 16 37.298 52.902 19.197 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.615 54.836 17.809 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.218 53.857 16.486 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.936 54.573 16.048 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.015 52.829 16.190 1.00 0.00 H new ATOM 271 N VAL A 17 36.759 50.632 18.434 1.00 0.00 N ATOM 272 CA VAL A 17 36.472 49.234 18.187 1.00 0.00 C ATOM 273 C VAL A 17 34.989 48.934 18.411 1.00 0.00 C ATOM 274 O VAL A 17 34.322 49.628 19.174 1.00 0.00 O ATOM 275 CB VAL A 17 37.306 48.332 19.094 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.789 48.351 18.734 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.168 48.682 20.573 1.00 0.00 C ATOM 0 H VAL A 17 36.193 51.019 19.190 1.00 0.00 H new ATOM 0 HA VAL A 17 36.729 49.030 17.147 1.00 0.00 H new ATOM 0 HB VAL A 17 36.904 47.333 18.927 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.336 47.693 19.409 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.919 48.007 17.708 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.173 49.367 18.827 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.784 48.006 21.166 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.496 49.709 20.736 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.125 48.582 20.875 1.00 0.00 H new ATOM 287 N GLU A 18 34.450 47.874 17.815 1.00 0.00 N ATOM 288 CA GLU A 18 33.190 47.282 18.219 1.00 0.00 C ATOM 289 C GLU A 18 33.458 46.050 19.085 1.00 0.00 C ATOM 290 O GLU A 18 34.541 45.478 18.993 1.00 0.00 O ATOM 291 CB GLU A 18 32.367 46.893 16.993 1.00 0.00 C ATOM 292 CG GLU A 18 32.055 48.012 16.004 1.00 0.00 C ATOM 293 CD GLU A 18 31.289 49.196 16.599 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.426 49.000 17.482 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.504 50.343 16.152 1.00 0.00 O ATOM 0 H GLU A 18 34.888 47.399 17.026 1.00 0.00 H new ATOM 0 HA GLU A 18 32.624 48.012 18.797 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.899 46.104 16.460 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.424 46.467 17.335 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.991 48.377 15.582 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.474 47.598 15.180 1.00 0.00 H new ATOM 302 N PRO A 19 32.505 45.548 19.866 1.00 0.00 N ATOM 303 CA PRO A 19 32.619 44.257 20.513 1.00 0.00 C ATOM 304 C PRO A 19 32.950 43.101 19.566 1.00 0.00 C ATOM 305 O PRO A 19 33.550 42.114 19.984 1.00 0.00 O ATOM 306 CB PRO A 19 31.282 44.032 21.215 1.00 0.00 C ATOM 307 CG PRO A 19 30.775 45.448 21.477 1.00 0.00 C ATOM 308 CD PRO A 19 31.285 46.222 20.265 1.00 0.00 C ATOM 0 HA PRO A 19 33.462 44.270 21.204 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.590 43.467 20.590 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.404 43.471 22.142 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.688 45.481 21.549 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.169 45.852 22.410 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.552 46.218 19.459 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.476 47.265 20.517 1.00 0.00 H new ATOM 316 N SER A 20 32.598 43.228 18.290 1.00 0.00 N ATOM 317 CA SER A 20 32.911 42.303 17.219 1.00 0.00 C ATOM 318 C SER A 20 34.332 42.388 16.660 1.00 0.00 C ATOM 319 O SER A 20 34.708 41.522 15.873 1.00 0.00 O ATOM 320 CB SER A 20 31.898 42.494 16.093 1.00 0.00 C ATOM 321 OG SER A 20 31.966 43.804 15.577 1.00 0.00 O ATOM 0 H SER A 20 32.055 44.027 17.963 1.00 0.00 H new ATOM 0 HA SER A 20 32.851 41.309 17.661 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.091 41.774 15.298 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.893 42.296 16.465 1.00 0.00 H new ATOM 0 HG SER A 20 31.311 43.906 14.856 1.00 0.00 H new ATOM 327 N ASP A 21 35.139 43.382 17.018 1.00 0.00 N ATOM 328 CA ASP A 21 36.529 43.456 16.610 1.00 0.00 C ATOM 329 C ASP A 21 37.324 42.294 17.207 1.00 0.00 C ATOM 330 O ASP A 21 37.201 41.969 18.385 1.00 0.00 O ATOM 331 CB ASP A 21 37.181 44.777 17.006 1.00 0.00 C ATOM 332 CG ASP A 21 36.930 45.936 16.040 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.765 46.334 15.820 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.910 46.505 15.512 1.00 0.00 O ATOM 0 H ASP A 21 34.840 44.162 17.604 1.00 0.00 H new ATOM 0 HA ASP A 21 36.542 43.392 15.522 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.819 45.062 17.994 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.256 44.623 17.093 1.00 0.00 H new ATOM 339 N THR A 22 38.173 41.679 16.388 1.00 0.00 N ATOM 340 CA THR A 22 39.115 40.670 16.830 1.00 0.00 C ATOM 341 C THR A 22 40.305 41.299 17.557 1.00 0.00 C ATOM 342 O THR A 22 40.667 42.445 17.299 1.00 0.00 O ATOM 343 CB THR A 22 39.601 39.756 15.708 1.00 0.00 C ATOM 344 OG1 THR A 22 40.317 40.472 14.727 1.00 0.00 O ATOM 345 CG2 THR A 22 38.462 39.014 15.017 1.00 0.00 C ATOM 0 H THR A 22 38.222 41.874 15.388 1.00 0.00 H new ATOM 0 HA THR A 22 38.563 40.041 17.528 1.00 0.00 H new ATOM 0 HB THR A 22 40.254 39.030 16.193 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.693 41.005 14.191 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.867 38.380 14.228 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.935 38.397 15.745 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.769 39.735 14.583 1.00 0.00 H new ATOM 353 N ILE A 23 40.985 40.540 18.411 1.00 0.00 N ATOM 354 CA ILE A 23 42.226 40.970 19.022 1.00 0.00 C ATOM 355 C ILE A 23 43.316 41.199 17.973 1.00 0.00 C ATOM 356 O ILE A 23 44.162 42.069 18.170 1.00 0.00 O ATOM 357 CB ILE A 23 42.624 39.990 20.121 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.611 39.887 21.258 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.014 40.255 20.694 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.320 41.174 22.024 1.00 0.00 C ATOM 0 H ILE A 23 40.685 39.608 18.696 1.00 0.00 H new ATOM 0 HA ILE A 23 42.083 41.940 19.497 1.00 0.00 H new ATOM 0 HB ILE A 23 42.642 39.029 19.608 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.673 39.514 20.847 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.968 39.140 21.967 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.233 39.522 21.470 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.756 40.175 19.900 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.046 41.257 21.122 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.587 40.974 22.805 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.240 41.544 22.476 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.925 41.924 21.339 1.00 0.00 H new ATOM 372 N GLU A 24 43.270 40.532 16.823 1.00 0.00 N ATOM 373 CA GLU A 24 44.089 40.894 15.682 1.00 0.00 C ATOM 374 C GLU A 24 43.789 42.312 15.192 1.00 0.00 C ATOM 375 O GLU A 24 44.734 43.072 14.990 1.00 0.00 O ATOM 376 CB GLU A 24 43.937 39.873 14.558 1.00 0.00 C ATOM 377 CG GLU A 24 44.962 40.081 13.447 1.00 0.00 C ATOM 378 CD GLU A 24 44.770 39.084 12.302 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.082 37.885 12.474 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.372 39.509 11.196 1.00 0.00 O ATOM 0 H GLU A 24 42.664 39.728 16.661 1.00 0.00 H new ATOM 0 HA GLU A 24 45.129 40.884 16.008 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.045 38.868 14.966 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.932 39.942 14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.879 41.097 13.062 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.967 39.976 13.856 1.00 0.00 H new ATOM 387 N ASN A 25 42.527 42.717 15.075 1.00 0.00 N ATOM 388 CA ASN A 25 42.186 44.080 14.725 1.00 0.00 C ATOM 389 C ASN A 25 42.680 45.084 15.768 1.00 0.00 C ATOM 390 O ASN A 25 43.179 46.146 15.404 1.00 0.00 O ATOM 391 CB ASN A 25 40.689 44.276 14.507 1.00 0.00 C ATOM 392 CG ASN A 25 40.023 43.331 13.503 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.060 42.640 13.828 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.512 43.248 12.269 1.00 0.00 N ATOM 0 H ASN A 25 41.721 42.109 15.220 1.00 0.00 H new ATOM 0 HA ASN A 25 42.697 44.269 13.781 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.186 44.166 15.467 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.522 45.301 14.176 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.088 42.612 11.594 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.311 43.821 11.998 1.00 0.00 H new ATOM 401 N VAL A 26 42.608 44.760 17.057 1.00 0.00 N ATOM 402 CA VAL A 26 43.137 45.585 18.123 1.00 0.00 C ATOM 403 C VAL A 26 44.649 45.774 17.980 1.00 0.00 C ATOM 404 O VAL A 26 45.123 46.907 17.976 1.00 0.00 O ATOM 405 CB VAL A 26 42.785 45.020 19.496 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.341 45.860 20.641 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.276 44.948 19.711 1.00 0.00 C ATOM 0 H VAL A 26 42.171 43.900 17.388 1.00 0.00 H new ATOM 0 HA VAL A 26 42.667 46.565 18.039 1.00 0.00 H new ATOM 0 HB VAL A 26 43.233 44.026 19.505 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.059 45.410 21.593 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.428 45.902 20.567 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.934 46.870 20.583 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.068 44.540 20.700 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.849 45.948 19.634 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.831 44.304 18.953 1.00 0.00 H new ATOM 417 N LYS A 27 45.409 44.698 17.790 1.00 0.00 N ATOM 418 CA LYS A 27 46.843 44.761 17.595 1.00 0.00 C ATOM 419 C LYS A 27 47.221 45.464 16.290 1.00 0.00 C ATOM 420 O LYS A 27 48.211 46.194 16.258 1.00 0.00 O ATOM 421 CB LYS A 27 47.450 43.364 17.684 1.00 0.00 C ATOM 422 CG LYS A 27 47.363 42.761 19.082 1.00 0.00 C ATOM 423 CD LYS A 27 47.917 41.339 19.116 1.00 0.00 C ATOM 424 CE LYS A 27 47.852 40.762 20.528 1.00 0.00 C ATOM 425 NZ LYS A 27 48.504 39.447 20.614 1.00 0.00 N ATOM 0 H LYS A 27 45.035 43.749 17.768 1.00 0.00 H new ATOM 0 HA LYS A 27 47.262 45.368 18.397 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.940 42.707 16.979 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.495 43.409 17.379 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.917 43.385 19.783 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.324 42.755 19.413 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.348 40.707 18.434 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.949 41.338 18.766 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.331 41.451 21.224 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.810 40.671 20.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.336 39.037 21.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.111 38.816 19.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.527 39.556 20.462 1.00 0.00 H new ATOM 439 N ALA A 28 46.425 45.315 15.236 1.00 0.00 N ATOM 440 CA ALA A 28 46.598 46.012 13.978 1.00 0.00 C ATOM 441 C ALA A 28 46.392 47.523 14.102 1.00 0.00 C ATOM 442 O ALA A 28 47.167 48.288 13.531 1.00 0.00 O ATOM 443 CB ALA A 28 45.649 45.402 12.950 1.00 0.00 C ATOM 0 H ALA A 28 45.621 44.687 15.239 1.00 0.00 H new ATOM 0 HA ALA A 28 47.631 45.886 13.653 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.767 45.916 11.996 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.881 44.344 12.823 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.621 45.509 13.295 1.00 0.00 H new ATOM 449 N LYS A 29 45.422 47.968 14.896 1.00 0.00 N ATOM 450 CA LYS A 29 45.187 49.364 15.202 1.00 0.00 C ATOM 451 C LYS A 29 46.309 49.960 16.055 1.00 0.00 C ATOM 452 O LYS A 29 46.724 51.093 15.825 1.00 0.00 O ATOM 453 CB LYS A 29 43.812 49.523 15.846 1.00 0.00 C ATOM 454 CG LYS A 29 42.677 49.308 14.850 1.00 0.00 C ATOM 455 CD LYS A 29 41.305 49.160 15.502 1.00 0.00 C ATOM 456 CE LYS A 29 40.251 49.109 14.401 1.00 0.00 C ATOM 457 NZ LYS A 29 38.881 49.020 14.927 1.00 0.00 N ATOM 0 H LYS A 29 44.761 47.342 15.355 1.00 0.00 H new ATOM 0 HA LYS A 29 45.193 49.933 14.272 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.713 48.811 16.665 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.729 50.520 16.278 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.651 50.149 14.157 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.887 48.415 14.261 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.268 48.253 16.105 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.112 49.997 16.173 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.339 49.999 13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.445 48.250 13.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.218 49.434 14.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.635 48.022 15.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.819 49.541 15.825 1.00 0.00 H new ATOM 471 N ILE A 30 46.883 49.184 16.971 1.00 0.00 N ATOM 472 CA ILE A 30 48.082 49.555 17.694 1.00 0.00 C ATOM 473 C ILE A 30 49.294 49.630 16.763 1.00 0.00 C ATOM 474 O ILE A 30 50.114 50.533 16.913 1.00 0.00 O ATOM 475 CB ILE A 30 48.311 48.612 18.871 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.193 48.751 19.901 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.662 48.843 19.541 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.129 47.599 20.898 1.00 0.00 C ATOM 0 H ILE A 30 46.518 48.268 17.231 1.00 0.00 H new ATOM 0 HA ILE A 30 47.943 50.556 18.102 1.00 0.00 H new ATOM 0 HB ILE A 30 48.307 47.599 18.468 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.328 49.685 20.447 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.238 48.822 19.380 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.779 48.148 20.373 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.460 48.680 18.817 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.713 49.866 19.913 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.310 47.768 21.598 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.962 46.664 20.363 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.069 47.540 21.447 1.00 0.00 H new ATOM 490 N GLN A 31 49.411 48.754 15.770 1.00 0.00 N ATOM 491 CA GLN A 31 50.454 48.842 14.766 1.00 0.00 C ATOM 492 C GLN A 31 50.298 50.092 13.899 1.00 0.00 C ATOM 493 O GLN A 31 51.303 50.734 13.604 1.00 0.00 O ATOM 494 CB GLN A 31 50.497 47.563 13.935 1.00 0.00 C ATOM 495 CG GLN A 31 51.710 47.519 13.010 1.00 0.00 C ATOM 496 CD GLN A 31 51.794 46.227 12.193 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.800 45.602 11.833 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.992 45.757 11.858 1.00 0.00 N ATOM 0 H GLN A 31 48.781 47.962 15.643 1.00 0.00 H new ATOM 0 HA GLN A 31 51.414 48.941 15.273 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.518 46.700 14.600 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.586 47.486 13.341 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.672 48.370 12.330 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.617 47.626 13.605 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.834 46.256 12.144 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.069 44.897 11.315 1.00 0.00 H new ATOM 507 N ASP A 32 49.084 50.511 13.551 1.00 0.00 N ATOM 508 CA ASP A 32 48.858 51.770 12.869 1.00 0.00 C ATOM 509 C ASP A 32 49.304 52.975 13.700 1.00 0.00 C ATOM 510 O ASP A 32 49.964 53.869 13.175 1.00 0.00 O ATOM 511 CB ASP A 32 47.401 51.906 12.438 1.00 0.00 C ATOM 512 CG ASP A 32 46.984 50.931 11.335 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.825 50.464 11.348 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.805 50.629 10.442 1.00 0.00 O ATOM 0 H ASP A 32 48.232 49.982 13.737 1.00 0.00 H new ATOM 0 HA ASP A 32 49.480 51.760 11.974 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.760 51.752 13.306 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.229 52.925 12.092 1.00 0.00 H new ATOM 519 N LYS A 33 48.994 52.988 14.993 1.00 0.00 N ATOM 520 CA LYS A 33 49.227 54.120 15.865 1.00 0.00 C ATOM 521 C LYS A 33 50.632 54.215 16.463 1.00 0.00 C ATOM 522 O LYS A 33 51.062 55.331 16.744 1.00 0.00 O ATOM 523 CB LYS A 33 48.136 54.164 16.932 1.00 0.00 C ATOM 524 CG LYS A 33 46.792 54.526 16.306 1.00 0.00 C ATOM 525 CD LYS A 33 45.659 54.548 17.328 1.00 0.00 C ATOM 526 CE LYS A 33 44.294 54.780 16.687 1.00 0.00 C ATOM 527 NZ LYS A 33 44.226 56.038 15.928 1.00 0.00 N ATOM 0 H LYS A 33 48.566 52.193 15.467 1.00 0.00 H new ATOM 0 HA LYS A 33 49.172 55.010 15.237 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.064 53.196 17.428 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.396 54.895 17.697 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.868 55.504 15.831 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.555 53.808 15.521 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.646 53.602 17.870 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.850 55.333 18.060 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.064 53.947 16.022 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.530 54.788 17.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.255 56.185 15.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.500 56.830 16.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.875 55.989 15.117 1.00 0.00 H new ATOM 541 N GLU A 34 51.348 53.111 16.657 1.00 0.00 N ATOM 542 CA GLU A 34 52.662 53.073 17.264 1.00 0.00 C ATOM 543 C GLU A 34 53.711 52.273 16.488 1.00 0.00 C ATOM 544 O GLU A 34 54.880 52.292 16.867 1.00 0.00 O ATOM 545 CB GLU A 34 52.557 52.540 18.691 1.00 0.00 C ATOM 546 CG GLU A 34 51.866 53.453 19.699 1.00 0.00 C ATOM 547 CD GLU A 34 52.707 54.667 20.103 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.820 54.507 20.649 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.254 55.820 19.933 1.00 0.00 O ATOM 0 H GLU A 34 51.011 52.188 16.384 1.00 0.00 H new ATOM 0 HA GLU A 34 53.017 54.104 17.254 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.022 51.591 18.664 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.563 52.328 19.053 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.923 53.799 19.276 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.623 52.877 20.592 1.00 0.00 H new ATOM 556 N GLY A 35 53.360 51.569 15.416 1.00 0.00 N ATOM 557 CA GLY A 35 54.304 50.850 14.585 1.00 0.00 C ATOM 558 C GLY A 35 54.868 49.554 15.170 1.00 0.00 C ATOM 559 O GLY A 35 55.941 49.116 14.761 1.00 0.00 O ATOM 0 H GLY A 35 52.394 51.484 15.100 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.818 50.615 13.638 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.137 51.515 14.359 1.00 0.00 H new ATOM 563 N ILE A 36 54.194 48.962 16.153 1.00 0.00 N ATOM 564 CA ILE A 36 54.654 47.803 16.891 1.00 0.00 C ATOM 565 C ILE A 36 54.183 46.520 16.203 1.00 0.00 C ATOM 566 O ILE A 36 52.979 46.386 15.997 1.00 0.00 O ATOM 567 CB ILE A 36 54.174 47.865 18.338 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.579 49.160 19.038 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.721 46.678 19.126 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.889 49.386 20.381 1.00 0.00 C ATOM 0 H ILE A 36 53.281 49.293 16.464 1.00 0.00 H new ATOM 0 HA ILE A 36 55.744 47.801 16.903 1.00 0.00 H new ATOM 0 HB ILE A 36 53.085 47.830 18.307 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.658 49.154 19.193 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.355 50.001 18.381 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.372 46.734 20.157 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.372 45.749 18.674 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.811 46.702 19.111 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.231 50.327 20.812 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.810 49.426 20.233 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.133 48.567 21.058 1.00 0.00 H new ATOM 582 N PRO A 37 55.042 45.554 15.890 1.00 0.00 N ATOM 583 CA PRO A 37 54.650 44.346 15.192 1.00 0.00 C ATOM 584 C PRO A 37 53.721 43.470 16.033 1.00 0.00 C ATOM 585 O PRO A 37 54.078 43.131 17.160 1.00 0.00 O ATOM 586 CB PRO A 37 55.945 43.629 14.819 1.00 0.00 C ATOM 587 CG PRO A 37 56.942 44.122 15.864 1.00 0.00 C ATOM 588 CD PRO A 37 56.472 45.549 16.129 1.00 0.00 C ATOM 0 HA PRO A 37 54.071 44.583 14.300 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.828 42.546 14.856 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.266 43.881 13.808 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.916 43.513 16.767 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.966 44.096 15.491 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.697 45.849 17.152 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.979 46.255 15.471 1.00 0.00 H new ATOM 596 N PRO A 38 52.554 43.067 15.540 1.00 0.00 N ATOM 597 CA PRO A 38 51.571 42.312 16.293 1.00 0.00 C ATOM 598 C PRO A 38 52.045 41.000 16.919 1.00 0.00 C ATOM 599 O PRO A 38 51.513 40.612 17.956 1.00 0.00 O ATOM 600 CB PRO A 38 50.419 42.059 15.323 1.00 0.00 C ATOM 601 CG PRO A 38 50.438 43.311 14.451 1.00 0.00 C ATOM 602 CD PRO A 38 51.939 43.561 14.324 1.00 0.00 C ATOM 0 HA PRO A 38 51.297 42.902 17.167 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.574 41.154 14.736 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.469 41.942 15.844 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.965 43.146 13.483 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.920 44.147 14.920 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.343 43.048 13.451 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.143 44.624 14.192 1.00 0.00 H new ATOM 610 N ASP A 39 53.062 40.339 16.371 1.00 0.00 N ATOM 611 CA ASP A 39 53.626 39.122 16.918 1.00 0.00 C ATOM 612 C ASP A 39 54.486 39.338 18.165 1.00 0.00 C ATOM 613 O ASP A 39 54.852 38.369 18.827 1.00 0.00 O ATOM 614 CB ASP A 39 54.402 38.369 15.840 1.00 0.00 C ATOM 615 CG ASP A 39 55.522 39.216 15.233 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.688 39.084 15.663 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.205 40.001 14.312 1.00 0.00 O ATOM 0 H ASP A 39 53.523 40.647 15.515 1.00 0.00 H new ATOM 0 HA ASP A 39 52.782 38.517 17.251 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.827 37.461 16.268 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.716 38.058 15.052 1.00 0.00 H new ATOM 622 N GLN A 40 54.803 40.581 18.515 1.00 0.00 N ATOM 623 CA GLN A 40 55.442 40.952 19.761 1.00 0.00 C ATOM 624 C GLN A 40 54.531 41.754 20.694 1.00 0.00 C ATOM 625 O GLN A 40 54.968 42.127 21.780 1.00 0.00 O ATOM 626 CB GLN A 40 56.755 41.679 19.489 1.00 0.00 C ATOM 627 CG GLN A 40 57.811 40.813 18.808 1.00 0.00 C ATOM 628 CD GLN A 40 59.088 41.613 18.540 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.255 42.205 17.478 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.013 41.703 19.493 1.00 0.00 N ATOM 0 H GLN A 40 54.613 41.382 17.913 1.00 0.00 H new ATOM 0 HA GLN A 40 55.660 40.027 20.294 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.555 42.549 18.864 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.156 42.050 20.432 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.042 39.953 19.437 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.417 40.425 17.869 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.882 41.214 20.379 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.853 42.261 19.338 1.00 0.00 H new ATOM 639 N GLN A 41 53.280 42.009 20.323 1.00 0.00 N ATOM 640 CA GLN A 41 52.317 42.670 21.182 1.00 0.00 C ATOM 641 C GLN A 41 51.607 41.657 22.082 1.00 0.00 C ATOM 642 O GLN A 41 50.807 40.866 21.588 1.00 0.00 O ATOM 643 CB GLN A 41 51.274 43.421 20.360 1.00 0.00 C ATOM 644 CG GLN A 41 51.774 44.624 19.564 1.00 0.00 C ATOM 645 CD GLN A 41 50.603 45.323 18.873 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.517 45.460 19.431 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.731 45.784 17.631 1.00 0.00 N ATOM 0 H GLN A 41 52.908 41.758 19.407 1.00 0.00 H new ATOM 0 HA GLN A 41 52.866 43.381 21.799 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.816 42.718 19.664 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.488 43.760 21.034 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.283 45.322 20.228 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.503 44.300 18.821 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.619 45.686 17.140 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.941 46.235 17.171 1.00 0.00 H new ATOM 656 N ARG A 42 51.823 41.717 23.393 1.00 0.00 N ATOM 657 CA ARG A 42 51.011 41.011 24.362 1.00 0.00 C ATOM 658 C ARG A 42 49.982 41.949 24.995 1.00 0.00 C ATOM 659 O ARG A 42 50.368 42.962 25.575 1.00 0.00 O ATOM 660 CB ARG A 42 51.871 40.363 25.444 1.00 0.00 C ATOM 661 CG ARG A 42 52.855 39.336 24.889 1.00 0.00 C ATOM 662 CD ARG A 42 53.370 38.476 26.039 1.00 0.00 C ATOM 663 NE ARG A 42 54.343 37.480 25.589 1.00 0.00 N ATOM 664 CZ ARG A 42 54.077 36.317 24.978 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.844 35.964 24.591 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.084 35.465 24.745 1.00 0.00 N ATOM 0 H ARG A 42 52.576 42.264 23.810 1.00 0.00 H new ATOM 0 HA ARG A 42 50.483 40.219 23.831 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.424 41.139 25.974 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.223 39.879 26.174 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.367 38.712 24.140 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.685 39.839 24.393 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.829 39.116 26.792 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.531 37.972 26.518 1.00 0.00 H new ATOM 0 HE ARG A 42 55.326 37.693 25.758 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.058 36.592 24.758 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.692 35.067 24.129 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.033 35.706 25.031 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.902 34.575 24.281 1.00 0.00 H new ATOM 680 N LEU A 43 48.698 41.615 24.902 1.00 0.00 N ATOM 681 CA LEU A 43 47.603 42.386 25.456 1.00 0.00 C ATOM 682 C LEU A 43 46.959 41.676 26.649 1.00 0.00 C ATOM 683 O LEU A 43 46.583 40.510 26.552 1.00 0.00 O ATOM 684 CB LEU A 43 46.572 42.704 24.375 1.00 0.00 C ATOM 685 CG LEU A 43 47.051 43.660 23.286 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.964 43.800 22.225 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.359 45.056 23.821 1.00 0.00 C ATOM 0 H LEU A 43 48.387 40.771 24.422 1.00 0.00 H new ATOM 0 HA LEU A 43 48.009 43.327 25.827 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.260 41.771 23.906 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.690 43.132 24.851 1.00 0.00 H new ATOM 0 HG LEU A 43 47.968 43.237 22.876 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.302 44.482 21.445 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.755 42.824 21.787 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.057 44.194 22.683 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.695 45.693 23.003 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.460 45.482 24.266 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.142 44.992 24.576 1.00 0.00 H new ATOM 699 N ILE A 44 46.828 42.396 27.759 1.00 0.00 N ATOM 700 CA ILE A 44 46.350 41.882 29.027 1.00 0.00 C ATOM 701 C ILE A 44 45.165 42.708 29.529 1.00 0.00 C ATOM 702 O ILE A 44 45.235 43.933 29.600 1.00 0.00 O ATOM 703 CB ILE A 44 47.476 41.799 30.053 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.690 41.048 29.512 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.972 41.130 31.327 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.895 40.986 30.446 1.00 0.00 C ATOM 0 H ILE A 44 47.062 43.388 27.796 1.00 0.00 H new ATOM 0 HA ILE A 44 45.995 40.863 28.874 1.00 0.00 H new ATOM 0 HB ILE A 44 47.794 42.818 30.275 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.387 40.029 29.270 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.000 41.518 28.579 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.782 41.075 32.054 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.150 41.713 31.743 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.623 40.124 31.096 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.700 40.431 29.965 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.235 41.997 30.670 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.612 40.485 31.372 1.00 0.00 H new ATOM 718 N PHE A 45 44.097 42.028 29.938 1.00 0.00 N ATOM 719 CA PHE A 45 42.926 42.581 30.590 1.00 0.00 C ATOM 720 C PHE A 45 42.506 41.697 31.766 1.00 0.00 C ATOM 721 O PHE A 45 42.257 40.511 31.559 1.00 0.00 O ATOM 722 CB PHE A 45 41.800 42.698 29.568 1.00 0.00 C ATOM 723 CG PHE A 45 40.497 43.223 30.120 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.377 44.577 30.452 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.400 42.369 30.293 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.161 45.083 30.928 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.182 42.872 30.768 1.00 0.00 C ATOM 728 CZ PHE A 45 38.063 44.230 31.089 1.00 0.00 C ATOM 0 H PHE A 45 44.028 41.018 29.813 1.00 0.00 H new ATOM 0 HA PHE A 45 43.156 43.571 30.984 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.127 43.354 28.761 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.623 41.716 29.129 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.226 45.235 30.341 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.494 41.319 30.059 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.070 46.131 31.171 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.335 42.213 30.887 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.126 44.618 31.460 1.00 0.00 H new ATOM 738 N ALA A 46 42.425 42.231 32.981 1.00 0.00 N ATOM 739 CA ALA A 46 41.988 41.525 34.169 1.00 0.00 C ATOM 740 C ALA A 46 42.686 40.182 34.392 1.00 0.00 C ATOM 741 O ALA A 46 42.048 39.169 34.669 1.00 0.00 O ATOM 742 CB ALA A 46 40.464 41.464 34.183 1.00 0.00 C ATOM 0 H ALA A 46 42.672 43.203 33.166 1.00 0.00 H new ATOM 0 HA ALA A 46 42.306 42.092 35.044 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.129 40.934 35.075 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.059 42.476 34.189 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.113 40.938 33.295 1.00 0.00 H new ATOM 748 N GLY A 47 44.003 40.140 34.216 1.00 0.00 N ATOM 749 CA GLY A 47 44.808 38.938 34.317 1.00 0.00 C ATOM 750 C GLY A 47 44.660 37.923 33.181 1.00 0.00 C ATOM 751 O GLY A 47 45.206 36.827 33.288 1.00 0.00 O ATOM 0 H GLY A 47 44.552 40.970 33.992 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.856 39.232 34.378 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.562 38.440 35.255 1.00 0.00 H new ATOM 755 N LYS A 48 43.926 38.243 32.119 1.00 0.00 N ATOM 756 CA LYS A 48 43.713 37.398 30.961 1.00 0.00 C ATOM 757 C LYS A 48 44.642 37.790 29.811 1.00 0.00 C ATOM 758 O LYS A 48 44.673 38.957 29.425 1.00 0.00 O ATOM 759 CB LYS A 48 42.253 37.444 30.517 1.00 0.00 C ATOM 760 CG LYS A 48 41.282 37.045 31.625 1.00 0.00 C ATOM 761 CD LYS A 48 39.826 37.190 31.193 1.00 0.00 C ATOM 762 CE LYS A 48 38.930 36.861 32.384 1.00 0.00 C ATOM 763 NZ LYS A 48 37.504 37.019 32.059 1.00 0.00 N ATOM 0 H LYS A 48 43.445 39.139 32.045 1.00 0.00 H new ATOM 0 HA LYS A 48 43.951 36.374 31.248 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.014 38.451 30.177 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.117 36.779 29.664 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.472 36.012 31.918 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.462 37.664 32.504 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.634 38.205 30.844 1.00 0.00 H new ATOM 0 HD3 LYS A 48 39.610 36.520 30.361 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.117 35.837 32.707 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.186 37.511 33.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 36.930 36.786 32.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.320 38.002 31.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.253 36.380 31.277 1.00 0.00 H new ATOM 777 N GLN A 49 45.365 36.824 29.250 1.00 0.00 N ATOM 778 CA GLN A 49 46.180 36.980 28.063 1.00 0.00 C ATOM 779 C GLN A 49 45.280 36.891 26.828 1.00 0.00 C ATOM 780 O GLN A 49 44.746 35.824 26.535 1.00 0.00 O ATOM 781 CB GLN A 49 47.241 35.883 28.034 1.00 0.00 C ATOM 782 CG GLN A 49 48.284 35.952 29.145 1.00 0.00 C ATOM 783 CD GLN A 49 49.408 36.966 28.919 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.795 37.293 27.799 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.047 37.436 29.987 1.00 0.00 N ATOM 0 H GLN A 49 45.396 35.878 29.629 1.00 0.00 H new ATOM 0 HA GLN A 49 46.679 37.949 28.070 1.00 0.00 H new ATOM 0 HB2 GLN A 49 46.741 34.916 28.088 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.755 35.923 27.074 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.780 36.194 30.081 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.727 34.964 29.268 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.738 37.174 30.923 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.846 38.059 29.870 1.00 0.00 H new ATOM 794 N LEU A 50 45.070 37.989 26.109 1.00 0.00 N ATOM 795 CA LEU A 50 44.128 38.041 25.009 1.00 0.00 C ATOM 796 C LEU A 50 44.733 37.483 23.720 1.00 0.00 C ATOM 797 O LEU A 50 45.919 37.680 23.471 1.00 0.00 O ATOM 798 CB LEU A 50 43.604 39.466 24.840 1.00 0.00 C ATOM 799 CG LEU A 50 43.091 40.145 26.106 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.519 41.513 25.740 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.007 39.344 26.821 1.00 0.00 C ATOM 0 H LEU A 50 45.554 38.871 26.278 1.00 0.00 H new ATOM 0 HA LEU A 50 43.279 37.398 25.244 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.403 40.078 24.421 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.797 39.451 24.107 1.00 0.00 H new ATOM 0 HG LEU A 50 43.939 40.229 26.786 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.150 42.006 26.640 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.299 42.124 25.286 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.699 41.387 25.033 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.686 39.882 27.713 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.156 39.207 26.154 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.404 38.370 27.108 1.00 0.00 H new ATOM 813 N GLU A 51 43.946 36.794 22.897 1.00 0.00 N ATOM 814 CA GLU A 51 44.411 36.036 21.754 1.00 0.00 C ATOM 815 C GLU A 51 43.776 36.466 20.429 1.00 0.00 C ATOM 816 O GLU A 51 42.565 36.644 20.325 1.00 0.00 O ATOM 817 CB GLU A 51 44.225 34.539 21.993 1.00 0.00 C ATOM 818 CG GLU A 51 45.057 34.043 23.172 1.00 0.00 C ATOM 819 CD GLU A 51 45.142 32.515 23.219 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.257 31.882 23.834 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.123 31.961 22.680 1.00 0.00 O ATOM 0 H GLU A 51 42.934 36.751 23.018 1.00 0.00 H new ATOM 0 HA GLU A 51 45.474 36.254 21.654 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.172 34.329 22.178 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.506 33.990 21.094 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.062 34.459 23.105 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.621 34.410 24.101 1.00 0.00 H new ATOM 828 N ASP A 52 44.611 36.611 19.404 1.00 0.00 N ATOM 829 CA ASP A 52 44.369 37.283 18.144 1.00 0.00 C ATOM 830 C ASP A 52 43.170 36.760 17.350 1.00 0.00 C ATOM 831 O ASP A 52 42.522 37.531 16.645 1.00 0.00 O ATOM 832 CB ASP A 52 45.638 37.223 17.299 1.00 0.00 C ATOM 833 CG ASP A 52 46.895 37.807 17.948 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.632 38.572 17.290 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.247 37.443 19.092 1.00 0.00 O ATOM 0 H ASP A 52 45.554 36.225 19.444 1.00 0.00 H new ATOM 0 HA ASP A 52 44.107 38.312 18.391 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.834 36.182 17.044 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.455 37.752 16.364 1.00 0.00 H new ATOM 840 N GLY A 53 42.836 35.479 17.481 1.00 0.00 N ATOM 841 CA GLY A 53 41.722 34.829 16.821 1.00 0.00 C ATOM 842 C GLY A 53 40.341 35.047 17.444 1.00 0.00 C ATOM 843 O GLY A 53 39.362 34.601 16.849 1.00 0.00 O ATOM 0 H GLY A 53 43.363 34.842 18.079 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.689 35.174 15.787 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.919 33.757 16.794 1.00 0.00 H new ATOM 847 N ARG A 54 40.240 35.683 18.607 1.00 0.00 N ATOM 848 CA ARG A 54 39.016 35.892 19.353 1.00 0.00 C ATOM 849 C ARG A 54 38.596 37.364 19.356 1.00 0.00 C ATOM 850 O ARG A 54 39.390 38.230 18.995 1.00 0.00 O ATOM 851 CB ARG A 54 39.183 35.333 20.763 1.00 0.00 C ATOM 852 CG ARG A 54 39.628 33.876 20.847 1.00 0.00 C ATOM 853 CD ARG A 54 38.710 32.880 20.143 1.00 0.00 C ATOM 854 NE ARG A 54 37.429 32.717 20.830 1.00 0.00 N ATOM 855 CZ ARG A 54 37.159 31.915 21.871 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.051 31.070 22.405 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.948 31.946 22.442 1.00 0.00 N ATOM 0 H ARG A 54 41.054 36.084 19.073 1.00 0.00 H new ATOM 0 HA ARG A 54 38.205 35.354 18.863 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.910 35.947 21.294 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.234 35.435 21.290 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.627 33.792 20.419 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.706 33.596 21.897 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.531 33.215 19.121 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.210 31.913 20.078 1.00 0.00 H new ATOM 0 HE ARG A 54 36.653 33.277 20.477 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.994 31.013 22.019 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.788 30.484 23.197 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.232 32.579 22.085 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.742 31.337 23.234 1.00 0.00 H new ATOM 871 N THR A 55 37.363 37.671 19.750 1.00 0.00 N ATOM 872 CA THR A 55 36.826 39.016 19.770 1.00 0.00 C ATOM 873 C THR A 55 36.863 39.684 21.146 1.00 0.00 C ATOM 874 O THR A 55 36.974 39.023 22.177 1.00 0.00 O ATOM 875 CB THR A 55 35.410 39.110 19.210 1.00 0.00 C ATOM 876 OG1 THR A 55 34.497 38.529 20.114 1.00 0.00 O ATOM 877 CG2 THR A 55 35.217 38.439 17.853 1.00 0.00 C ATOM 0 H THR A 55 36.697 36.968 20.071 1.00 0.00 H new ATOM 0 HA THR A 55 37.502 39.562 19.112 1.00 0.00 H new ATOM 0 HB THR A 55 35.230 40.176 19.071 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.782 37.615 20.324 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.181 38.556 17.533 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.877 38.903 17.120 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.454 37.378 17.935 1.00 0.00 H new ATOM 885 N LEU A 56 36.671 40.999 21.183 1.00 0.00 N ATOM 886 CA LEU A 56 36.430 41.723 22.416 1.00 0.00 C ATOM 887 C LEU A 56 35.190 41.218 23.158 1.00 0.00 C ATOM 888 O LEU A 56 35.201 41.162 24.385 1.00 0.00 O ATOM 889 CB LEU A 56 36.338 43.216 22.112 1.00 0.00 C ATOM 890 CG LEU A 56 37.652 43.840 21.650 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.420 45.292 21.245 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.724 43.844 22.736 1.00 0.00 C ATOM 0 H LEU A 56 36.679 41.591 20.352 1.00 0.00 H new ATOM 0 HA LEU A 56 37.269 41.546 23.089 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.583 43.373 21.342 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.995 43.737 23.006 1.00 0.00 H new ATOM 0 HG LEU A 56 37.998 43.231 20.815 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.361 45.733 20.916 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.697 45.331 20.431 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.036 45.851 22.099 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.634 44.300 22.347 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.370 44.415 23.594 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.934 42.820 23.043 1.00 0.00 H new ATOM 904 N SER A 57 34.159 40.774 22.446 1.00 0.00 N ATOM 905 CA SER A 57 32.996 40.135 23.025 1.00 0.00 C ATOM 906 C SER A 57 33.263 38.740 23.597 1.00 0.00 C ATOM 907 O SER A 57 32.623 38.382 24.583 1.00 0.00 O ATOM 908 CB SER A 57 31.829 40.117 22.042 1.00 0.00 C ATOM 909 OG SER A 57 32.018 39.211 20.979 1.00 0.00 O ATOM 0 H SER A 57 34.114 40.853 21.430 1.00 0.00 H new ATOM 0 HA SER A 57 32.724 40.751 23.882 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.915 39.856 22.576 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.687 41.119 21.637 1.00 0.00 H new ATOM 0 HG SER A 57 32.974 39.144 20.773 1.00 0.00 H new ATOM 915 N ASP A 58 34.229 37.976 23.095 1.00 0.00 N ATOM 916 CA ASP A 58 34.626 36.713 23.683 1.00 0.00 C ATOM 917 C ASP A 58 35.212 36.883 25.085 1.00 0.00 C ATOM 918 O ASP A 58 35.067 35.991 25.919 1.00 0.00 O ATOM 919 CB ASP A 58 35.645 35.988 22.808 1.00 0.00 C ATOM 920 CG ASP A 58 35.037 35.369 21.548 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.599 34.199 21.613 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.065 35.995 20.467 1.00 0.00 O ATOM 0 H ASP A 58 34.760 38.224 22.260 1.00 0.00 H new ATOM 0 HA ASP A 58 33.716 36.118 23.756 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.427 36.690 22.517 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.123 35.203 23.395 1.00 0.00 H new ATOM 927 N TYR A 59 35.830 38.026 25.368 1.00 0.00 N ATOM 928 CA TYR A 59 36.384 38.374 26.661 1.00 0.00 C ATOM 929 C TYR A 59 35.501 39.306 27.494 1.00 0.00 C ATOM 930 O TYR A 59 35.917 39.707 28.578 1.00 0.00 O ATOM 931 CB TYR A 59 37.794 38.927 26.471 1.00 0.00 C ATOM 932 CG TYR A 59 38.740 37.986 25.765 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.198 36.835 26.416 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.179 38.282 24.469 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.093 35.968 25.776 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.081 37.429 23.821 1.00 0.00 C ATOM 937 CZ TYR A 59 40.540 36.265 24.472 1.00 0.00 C ATOM 938 OH TYR A 59 41.421 35.446 23.830 1.00 0.00 O ATOM 0 H TYR A 59 35.961 38.760 24.672 1.00 0.00 H new ATOM 0 HA TYR A 59 36.428 37.459 27.252 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.734 39.856 25.904 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.209 39.176 27.448 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.860 36.614 27.417 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.821 39.170 23.968 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.439 35.077 26.279 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.425 37.662 22.824 1.00 0.00 H new ATOM 0 HH TYR A 59 41.014 35.110 23.004 1.00 0.00 H new ATOM 948 N ASN A 60 34.310 39.664 27.021 1.00 0.00 N ATOM 949 CA ASN A 60 33.418 40.623 27.641 1.00 0.00 C ATOM 950 C ASN A 60 34.117 41.932 28.011 1.00 0.00 C ATOM 951 O ASN A 60 34.082 42.378 29.156 1.00 0.00 O ATOM 952 CB ASN A 60 32.632 39.948 28.761 1.00 0.00 C ATOM 953 CG ASN A 60 31.470 40.777 29.314 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.160 41.890 28.895 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.764 40.221 30.294 1.00 0.00 N ATOM 0 H ASN A 60 33.930 39.274 26.159 1.00 0.00 H new ATOM 0 HA ASN A 60 32.677 40.953 26.913 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.241 39.000 28.392 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.316 39.715 29.577 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.969 40.718 30.695 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.018 39.297 30.645 1.00 0.00 H new ATOM 962 N ILE A 61 34.794 42.533 27.037 1.00 0.00 N ATOM 963 CA ILE A 61 35.413 43.838 27.148 1.00 0.00 C ATOM 964 C ILE A 61 34.401 44.900 26.715 1.00 0.00 C ATOM 965 O ILE A 61 33.714 44.750 25.705 1.00 0.00 O ATOM 966 CB ILE A 61 36.730 43.883 26.379 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.741 42.938 27.020 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.307 45.296 26.351 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.919 42.576 26.120 1.00 0.00 C ATOM 0 H ILE A 61 34.928 42.106 26.121 1.00 0.00 H new ATOM 0 HA ILE A 61 35.683 44.050 28.182 1.00 0.00 H new ATOM 0 HB ILE A 61 36.529 43.570 25.354 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.123 43.397 27.932 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.229 42.022 27.315 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.245 45.295 25.796 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.599 45.968 25.866 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.489 45.635 27.371 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.590 41.901 26.652 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.551 42.086 25.219 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.459 43.482 25.845 1.00 0.00 H new ATOM 981 N GLN A 62 34.280 45.959 27.510 1.00 0.00 N ATOM 982 CA GLN A 62 33.243 46.965 27.396 1.00 0.00 C ATOM 983 C GLN A 62 33.799 48.364 27.123 1.00 0.00 C ATOM 984 O GLN A 62 35.005 48.585 27.202 1.00 0.00 O ATOM 985 CB GLN A 62 32.373 46.911 28.649 1.00 0.00 C ATOM 986 CG GLN A 62 31.663 45.569 28.807 1.00 0.00 C ATOM 987 CD GLN A 62 30.794 45.468 30.062 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.573 46.430 30.794 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.276 44.284 30.378 1.00 0.00 N ATOM 0 H GLN A 62 34.927 46.142 28.277 1.00 0.00 H new ATOM 0 HA GLN A 62 32.628 46.742 26.524 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.992 47.097 29.526 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.631 47.709 28.608 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.039 45.395 27.931 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.410 44.775 28.830 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.450 43.475 29.781 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.705 44.185 31.217 1.00 0.00 H new ATOM 998 N LYS A 63 32.935 49.323 26.802 1.00 0.00 N ATOM 999 CA LYS A 63 33.290 50.700 26.521 1.00 0.00 C ATOM 1000 C LYS A 63 34.165 51.346 27.598 1.00 0.00 C ATOM 1001 O LYS A 63 33.967 51.111 28.787 1.00 0.00 O ATOM 1002 CB LYS A 63 32.036 51.524 26.250 1.00 0.00 C ATOM 1003 CG LYS A 63 31.216 51.983 27.451 1.00 0.00 C ATOM 1004 CD LYS A 63 30.637 50.873 28.322 1.00 0.00 C ATOM 1005 CE LYS A 63 29.687 51.438 29.374 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.390 52.160 30.447 1.00 0.00 N ATOM 0 H LYS A 63 31.932 49.150 26.729 1.00 0.00 H new ATOM 0 HA LYS A 63 33.908 50.684 25.623 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.332 52.410 25.688 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.383 50.938 25.602 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.845 52.618 28.075 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.395 52.603 27.091 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.106 50.155 27.696 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.446 50.332 28.812 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.978 52.112 28.893 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.108 50.624 29.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.698 52.522 31.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.048 51.513 30.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.922 52.955 30.040 1.00 0.00 H new ATOM 1020 N GLU A 64 35.136 52.162 27.198 1.00 0.00 N ATOM 1021 CA GLU A 64 36.071 52.861 28.057 1.00 0.00 C ATOM 1022 C GLU A 64 36.899 51.972 28.987 1.00 0.00 C ATOM 1023 O GLU A 64 37.466 52.450 29.967 1.00 0.00 O ATOM 1024 CB GLU A 64 35.393 54.041 28.748 1.00 0.00 C ATOM 1025 CG GLU A 64 35.060 55.214 27.830 1.00 0.00 C ATOM 1026 CD GLU A 64 33.815 55.017 26.963 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.687 55.150 27.486 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.949 54.819 25.736 1.00 0.00 O ATOM 0 H GLU A 64 35.296 52.360 26.210 1.00 0.00 H new ATOM 0 HA GLU A 64 36.840 53.268 27.401 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.473 53.691 29.215 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.041 54.397 29.549 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.923 56.107 28.440 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.914 55.401 27.178 1.00 0.00 H new ATOM 1035 N SER A 65 37.028 50.683 28.683 1.00 0.00 N ATOM 1036 CA SER A 65 37.904 49.769 29.387 1.00 0.00 C ATOM 1037 C SER A 65 39.383 50.104 29.182 1.00 0.00 C ATOM 1038 O SER A 65 39.787 50.479 28.084 1.00 0.00 O ATOM 1039 CB SER A 65 37.699 48.317 28.963 1.00 0.00 C ATOM 1040 OG SER A 65 36.392 47.895 29.280 1.00 0.00 O ATOM 0 H SER A 65 36.512 50.241 27.922 1.00 0.00 H new ATOM 0 HA SER A 65 37.638 49.888 30.437 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.871 48.216 27.891 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.426 47.678 29.464 1.00 0.00 H new ATOM 0 HG SER A 65 35.750 48.357 28.701 1.00 0.00 H new ATOM 1046 N THR A 66 40.190 49.882 30.216 1.00 0.00 N ATOM 1047 CA THR A 66 41.634 49.989 30.169 1.00 0.00 C ATOM 1048 C THR A 66 42.281 48.603 30.116 1.00 0.00 C ATOM 1049 O THR A 66 41.831 47.674 30.784 1.00 0.00 O ATOM 1050 CB THR A 66 42.185 50.804 31.335 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.456 51.997 31.523 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.643 51.198 31.122 1.00 0.00 C ATOM 0 H THR A 66 39.840 49.615 31.136 1.00 0.00 H new ATOM 0 HA THR A 66 41.890 50.524 29.254 1.00 0.00 H new ATOM 0 HB THR A 66 42.097 50.158 32.209 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.833 52.495 32.278 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.992 51.777 31.977 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.251 50.299 31.019 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.729 51.800 30.217 1.00 0.00 H new ATOM 1060 N LEU A 67 43.335 48.467 29.317 1.00 0.00 N ATOM 1061 CA LEU A 67 44.145 47.285 29.103 1.00 0.00 C ATOM 1062 C LEU A 67 45.628 47.647 29.211 1.00 0.00 C ATOM 1063 O LEU A 67 45.984 48.817 29.083 1.00 0.00 O ATOM 1064 CB LEU A 67 43.875 46.690 27.724 1.00 0.00 C ATOM 1065 CG LEU A 67 42.442 46.293 27.383 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.621 47.427 26.776 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.466 45.189 26.329 1.00 0.00 C ATOM 0 H LEU A 67 43.668 49.252 28.757 1.00 0.00 H new ATOM 0 HA LEU A 67 43.886 46.549 29.864 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.208 47.412 26.978 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.502 45.805 27.614 1.00 0.00 H new ATOM 0 HG LEU A 67 41.987 45.988 28.325 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.614 47.071 26.559 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.569 48.257 27.481 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.093 47.764 25.853 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.445 44.901 26.081 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.968 45.553 25.433 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.002 44.324 26.720 1.00 0.00 H new ATOM 1079 N HIS A 68 46.503 46.655 29.347 1.00 0.00 N ATOM 1080 CA HIS A 68 47.941 46.832 29.298 1.00 0.00 C ATOM 1081 C HIS A 68 48.567 46.139 28.087 1.00 0.00 C ATOM 1082 O HIS A 68 48.093 45.090 27.654 1.00 0.00 O ATOM 1083 CB HIS A 68 48.585 46.383 30.606 1.00 0.00 C ATOM 1084 CG HIS A 68 48.487 47.408 31.704 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.479 47.477 32.663 1.00 0.00 N ATOM 1086 CD2 HIS A 68 49.416 48.378 31.978 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.799 48.485 33.476 1.00 0.00 C ATOM 1088 NE2 HIS A 68 48.961 49.043 33.099 1.00 0.00 N ATOM 0 H HIS A 68 46.220 45.687 29.497 1.00 0.00 H new ATOM 0 HA HIS A 68 48.138 47.897 29.176 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.110 45.460 30.938 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.635 46.154 30.425 1.00 0.00 H new ATOM 0 HD2 HIS A 68 50.322 48.581 31.427 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.206 48.807 34.319 1.00 0.00 H new ATOM 0 HE2 HIS A 68 49.427 49.824 33.561 1.00 0.00 H new ATOM 1096 N LEU A 69 49.654 46.711 27.578 1.00 0.00 N ATOM 1097 CA LEU A 69 50.459 46.229 26.474 1.00 0.00 C ATOM 1098 C LEU A 69 51.910 46.015 26.909 1.00 0.00 C ATOM 1099 O LEU A 69 52.593 46.951 27.319 1.00 0.00 O ATOM 1100 CB LEU A 69 50.354 47.215 25.314 1.00 0.00 C ATOM 1101 CG LEU A 69 51.314 47.013 24.146 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.173 45.664 23.447 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.068 48.098 23.101 1.00 0.00 C ATOM 0 H LEU A 69 50.016 47.586 27.958 1.00 0.00 H new ATOM 0 HA LEU A 69 50.085 45.260 26.143 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.336 47.176 24.927 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.506 48.220 25.708 1.00 0.00 H new ATOM 0 HG LEU A 69 52.316 47.059 24.574 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.891 45.601 22.629 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.365 44.863 24.161 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.162 45.563 23.051 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.752 47.958 22.264 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.040 48.034 22.745 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.236 49.078 23.547 1.00 0.00 H new ATOM 1115 N VAL A 70 52.399 44.789 26.746 1.00 0.00 N ATOM 1116 CA VAL A 70 53.779 44.409 26.967 1.00 0.00 C ATOM 1117 C VAL A 70 54.425 44.058 25.624 1.00 0.00 C ATOM 1118 O VAL A 70 53.836 43.340 24.821 1.00 0.00 O ATOM 1119 CB VAL A 70 53.887 43.264 27.970 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.342 42.925 28.277 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.199 43.608 29.288 1.00 0.00 C ATOM 0 H VAL A 70 51.817 44.007 26.445 1.00 0.00 H new ATOM 0 HA VAL A 70 54.318 45.250 27.404 1.00 0.00 H new ATOM 0 HB VAL A 70 53.396 42.408 27.507 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.381 42.106 28.995 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.848 42.627 27.358 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.838 43.800 28.698 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.296 42.770 29.978 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.666 44.492 29.722 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.143 43.808 29.106 1.00 0.00 H new