USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.662 K(o=1.6,f=-0.98) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.921 K(o=1.6,f=-0.89) USER MOD Set 2.1: A 55 THR OG1 : rot 125:sc= 1.26 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.06 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0.00084 USER MOD Set 3.2: A 33 LYS NZ :NH3+ 155:sc= 1.25 (180deg=1.17) USER MOD Single : A 1 MET CE :methyl 177:sc=-0.00987 (180deg=-0.0375) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.29 (180deg=1.22) USER MOD Single : A 2 GLN : amide:sc= 1.11 K(o=1.1,f=-0.0057) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.24) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 119:sc= 1.27 USER MOD Single : A 25 ASN : amide:sc= 0.996 K(o=1,f=-0.81) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.91 (180deg=1.7) USER MOD Single : A 29 LYS NZ :NH3+ -138:sc= 1.01 (180deg=0.714) USER MOD Single : A 31 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.75) USER MOD Single : A 40 GLN : amide:sc= -0.51 K(o=-0.51,f=-5.7!) USER MOD Single : A 41 GLN : amide:sc= 0.662 K(o=0.66,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0116) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.353 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 71:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.195 52.361 19.647 1.00 0.00 N ATOM 2 CA MET A 1 33.466 52.641 21.066 1.00 0.00 C ATOM 3 C MET A 1 34.935 53.009 21.287 1.00 0.00 C ATOM 4 O MET A 1 35.790 52.554 20.532 1.00 0.00 O ATOM 5 CB MET A 1 33.066 51.487 21.980 1.00 0.00 C ATOM 6 CG MET A 1 33.908 50.218 21.889 1.00 0.00 C ATOM 7 SD MET A 1 33.270 48.889 22.939 1.00 0.00 S ATOM 8 CE MET A 1 34.618 47.683 22.892 1.00 0.00 C ATOM 0 H1 MET A 1 32.188 52.131 19.525 1.00 0.00 H new ATOM 0 H2 MET A 1 33.431 53.198 19.077 1.00 0.00 H new ATOM 0 H3 MET A 1 33.774 51.556 19.335 1.00 0.00 H new ATOM 0 HA MET A 1 32.845 53.496 21.333 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.096 51.842 23.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 32.030 51.225 21.764 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.936 49.878 20.854 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.934 50.445 22.178 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.376 46.841 23.540 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.753 47.327 21.870 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.539 48.153 23.237 1.00 0.00 H new ATOM 20 N GLN A 2 35.229 53.752 22.350 1.00 0.00 N ATOM 21 CA GLN A 2 36.573 53.968 22.844 1.00 0.00 C ATOM 22 C GLN A 2 37.008 52.827 23.765 1.00 0.00 C ATOM 23 O GLN A 2 36.211 52.358 24.575 1.00 0.00 O ATOM 24 CB GLN A 2 36.636 55.321 23.546 1.00 0.00 C ATOM 25 CG GLN A 2 37.980 55.658 24.187 1.00 0.00 C ATOM 26 CD GLN A 2 38.051 57.117 24.646 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.731 57.946 24.046 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.361 57.502 25.716 1.00 0.00 N ATOM 0 H GLN A 2 34.516 54.230 22.901 1.00 0.00 H new ATOM 0 HA GLN A 2 37.272 53.978 22.007 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.391 56.099 22.823 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.866 55.348 24.317 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.148 55.002 25.041 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.780 55.464 23.473 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.791 56.827 26.226 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.401 58.473 26.027 1.00 0.00 H new ATOM 37 N ILE A 3 38.277 52.438 23.689 1.00 0.00 N ATOM 38 CA ILE A 3 39.002 51.748 24.738 1.00 0.00 C ATOM 39 C ILE A 3 40.370 52.400 24.945 1.00 0.00 C ATOM 40 O ILE A 3 40.819 53.188 24.114 1.00 0.00 O ATOM 41 CB ILE A 3 39.132 50.250 24.479 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.949 49.941 23.228 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.765 49.571 24.470 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.315 48.467 23.081 1.00 0.00 C ATOM 0 H ILE A 3 38.847 52.604 22.859 1.00 0.00 H new ATOM 0 HA ILE A 3 38.421 51.844 25.655 1.00 0.00 H new ATOM 0 HB ILE A 3 39.696 49.826 25.310 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.385 50.255 22.350 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.864 50.533 23.247 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.890 48.504 24.283 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.280 49.716 25.436 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.147 50.007 23.685 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.895 48.325 22.169 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.907 48.152 23.940 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.405 47.870 23.029 1.00 0.00 H new ATOM 56 N PHE A 4 41.056 52.031 26.023 1.00 0.00 N ATOM 57 CA PHE A 4 42.405 52.459 26.331 1.00 0.00 C ATOM 58 C PHE A 4 43.381 51.281 26.335 1.00 0.00 C ATOM 59 O PHE A 4 43.001 50.160 26.666 1.00 0.00 O ATOM 60 CB PHE A 4 42.421 53.168 27.683 1.00 0.00 C ATOM 61 CG PHE A 4 41.445 54.313 27.811 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.799 55.596 27.375 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.183 54.090 28.374 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.893 56.655 27.503 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.271 55.146 28.485 1.00 0.00 C ATOM 66 CZ PHE A 4 39.623 56.429 28.048 1.00 0.00 C ATOM 0 H PHE A 4 40.668 51.403 26.727 1.00 0.00 H new ATOM 0 HA PHE A 4 42.730 53.151 25.554 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.206 52.437 28.463 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.427 53.545 27.868 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.772 55.768 26.940 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.913 53.104 28.722 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.173 57.647 27.181 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.293 54.971 28.909 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.917 57.242 28.131 1.00 0.00 H new ATOM 76 N VAL A 5 44.652 51.531 26.032 1.00 0.00 N ATOM 77 CA VAL A 5 45.735 50.578 26.164 1.00 0.00 C ATOM 78 C VAL A 5 46.906 51.224 26.908 1.00 0.00 C ATOM 79 O VAL A 5 47.521 52.161 26.404 1.00 0.00 O ATOM 80 CB VAL A 5 46.184 50.023 24.815 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.194 48.893 25.001 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.012 49.475 24.005 1.00 0.00 C ATOM 0 H VAL A 5 44.960 52.436 25.676 1.00 0.00 H new ATOM 0 HA VAL A 5 45.366 49.731 26.742 1.00 0.00 H new ATOM 0 HB VAL A 5 46.637 50.856 24.277 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.499 48.514 24.026 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.067 49.270 25.533 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.737 48.088 25.577 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.376 49.090 23.052 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.530 48.671 24.561 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.291 50.272 23.822 1.00 0.00 H new ATOM 92 N LYS A 6 47.225 50.716 28.095 1.00 0.00 N ATOM 93 CA LYS A 6 48.370 51.132 28.879 1.00 0.00 C ATOM 94 C LYS A 6 49.637 50.393 28.442 1.00 0.00 C ATOM 95 O LYS A 6 49.597 49.181 28.240 1.00 0.00 O ATOM 96 CB LYS A 6 48.109 50.908 30.366 1.00 0.00 C ATOM 97 CG LYS A 6 47.062 51.865 30.926 1.00 0.00 C ATOM 98 CD LYS A 6 46.878 51.745 32.436 1.00 0.00 C ATOM 99 CE LYS A 6 48.125 52.204 33.187 1.00 0.00 C ATOM 100 NZ LYS A 6 47.890 52.298 34.635 1.00 0.00 N ATOM 0 H LYS A 6 46.675 49.984 28.545 1.00 0.00 H new ATOM 0 HA LYS A 6 48.525 52.197 28.708 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.779 49.881 30.523 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.041 51.031 30.918 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.348 52.888 30.682 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.108 51.676 30.435 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.022 52.343 32.749 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.655 50.710 32.696 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.941 51.507 32.996 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.441 53.176 32.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.761 52.613 35.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.129 52.982 34.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.614 51.365 35.003 1.00 0.00 H new ATOM 168 N LYS A 11 52.663 55.274 28.467 1.00 0.00 N ATOM 169 CA LYS A 11 51.555 55.987 27.864 1.00 0.00 C ATOM 170 C LYS A 11 50.240 55.207 27.937 1.00 0.00 C ATOM 171 O LYS A 11 50.247 53.994 28.126 1.00 0.00 O ATOM 172 CB LYS A 11 51.890 56.432 26.443 1.00 0.00 C ATOM 173 CG LYS A 11 52.138 55.299 25.451 1.00 0.00 C ATOM 174 CD LYS A 11 52.023 55.755 23.999 1.00 0.00 C ATOM 175 CE LYS A 11 53.035 56.826 23.601 1.00 0.00 C ATOM 176 NZ LYS A 11 52.813 57.238 22.206 1.00 0.00 N ATOM 0 HA LYS A 11 51.396 56.888 28.457 1.00 0.00 H new ATOM 0 HB2 LYS A 11 51.072 57.048 26.070 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.777 57.065 26.477 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.132 54.884 25.620 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.422 54.497 25.634 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.149 54.891 23.347 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.017 56.139 23.828 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.943 57.688 24.262 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.048 56.441 23.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.668 57.706 21.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.603 56.401 21.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.011 57.899 22.163 1.00 0.00 H new ATOM 190 N THR A 12 49.123 55.903 27.747 1.00 0.00 N ATOM 191 CA THR A 12 47.788 55.346 27.660 1.00 0.00 C ATOM 192 C THR A 12 47.177 55.714 26.306 1.00 0.00 C ATOM 193 O THR A 12 46.701 56.828 26.101 1.00 0.00 O ATOM 194 CB THR A 12 46.905 55.806 28.816 1.00 0.00 C ATOM 195 OG1 THR A 12 47.525 55.504 30.045 1.00 0.00 O ATOM 196 CG2 THR A 12 45.562 55.081 28.826 1.00 0.00 C ATOM 0 H THR A 12 49.131 56.918 27.645 1.00 0.00 H new ATOM 0 HA THR A 12 47.855 54.261 27.738 1.00 0.00 H new ATOM 0 HB THR A 12 46.755 56.878 28.685 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.953 55.804 30.782 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.963 55.437 29.664 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.035 55.279 27.893 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.728 54.009 28.928 1.00 0.00 H new ATOM 204 N ILE A 13 47.222 54.778 25.361 1.00 0.00 N ATOM 205 CA ILE A 13 46.799 54.927 23.983 1.00 0.00 C ATOM 206 C ILE A 13 45.278 54.792 23.904 1.00 0.00 C ATOM 207 O ILE A 13 44.750 53.773 24.344 1.00 0.00 O ATOM 208 CB ILE A 13 47.492 53.872 23.127 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.015 53.925 23.205 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.073 53.976 21.663 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.668 52.567 22.967 1.00 0.00 C ATOM 0 H ILE A 13 47.577 53.842 25.555 1.00 0.00 H new ATOM 0 HA ILE A 13 47.076 55.912 23.606 1.00 0.00 H new ATOM 0 HB ILE A 13 47.169 52.918 23.543 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.387 54.636 22.467 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.311 54.298 24.185 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.586 53.209 21.082 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.996 53.832 21.582 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.338 54.961 21.278 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.751 52.667 23.035 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.321 51.860 23.720 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.399 52.203 21.976 1.00 0.00 H new ATOM 223 N THR A 14 44.560 55.749 23.321 1.00 0.00 N ATOM 224 CA THR A 14 43.173 55.550 22.956 1.00 0.00 C ATOM 225 C THR A 14 43.067 54.726 21.671 1.00 0.00 C ATOM 226 O THR A 14 43.848 54.936 20.746 1.00 0.00 O ATOM 227 CB THR A 14 42.399 56.854 22.775 1.00 0.00 C ATOM 228 OG1 THR A 14 42.982 57.679 21.792 1.00 0.00 O ATOM 229 CG2 THR A 14 42.303 57.670 24.060 1.00 0.00 C ATOM 0 H THR A 14 44.925 56.674 23.093 1.00 0.00 H new ATOM 0 HA THR A 14 42.721 55.015 23.791 1.00 0.00 H new ATOM 0 HB THR A 14 41.400 56.544 22.468 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.458 58.503 21.703 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.742 58.585 23.869 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.793 57.085 24.825 1.00 0.00 H new ATOM 0 HG23 THR A 14 43.305 57.924 24.405 1.00 0.00 H new ATOM 237 N LEU A 15 42.104 53.813 21.583 1.00 0.00 N ATOM 238 CA LEU A 15 41.749 53.116 20.363 1.00 0.00 C ATOM 239 C LEU A 15 40.238 53.169 20.129 1.00 0.00 C ATOM 240 O LEU A 15 39.455 53.057 21.068 1.00 0.00 O ATOM 241 CB LEU A 15 42.210 51.662 20.403 1.00 0.00 C ATOM 242 CG LEU A 15 43.706 51.416 20.575 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.934 49.912 20.703 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.542 51.888 19.388 1.00 0.00 C ATOM 0 H LEU A 15 41.537 53.534 22.384 1.00 0.00 H new ATOM 0 HA LEU A 15 42.256 53.619 19.540 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.688 51.163 21.220 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.891 51.180 19.479 1.00 0.00 H new ATOM 0 HG LEU A 15 44.016 51.978 21.456 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.999 49.715 20.827 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.392 49.534 21.570 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.575 49.412 19.804 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.595 51.681 19.580 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.227 51.360 18.488 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.402 52.960 19.248 1.00 0.00 H new ATOM 256 N GLU A 16 39.835 53.270 18.865 1.00 0.00 N ATOM 257 CA GLU A 16 38.449 53.237 18.446 1.00 0.00 C ATOM 258 C GLU A 16 38.098 51.885 17.821 1.00 0.00 C ATOM 259 O GLU A 16 38.552 51.545 16.732 1.00 0.00 O ATOM 260 CB GLU A 16 38.168 54.433 17.541 1.00 0.00 C ATOM 261 CG GLU A 16 36.689 54.536 17.178 1.00 0.00 C ATOM 262 CD GLU A 16 36.393 55.909 16.570 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.972 56.224 15.508 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.592 56.669 17.156 1.00 0.00 O ATOM 0 H GLU A 16 40.486 53.380 18.088 1.00 0.00 H new ATOM 0 HA GLU A 16 37.790 53.330 19.309 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.484 55.349 18.041 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.760 54.346 16.630 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.425 53.751 16.470 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.077 54.383 18.067 1.00 0.00 H new ATOM 271 N VAL A 17 37.307 51.093 18.541 1.00 0.00 N ATOM 272 CA VAL A 17 37.009 49.697 18.295 1.00 0.00 C ATOM 273 C VAL A 17 35.504 49.420 18.299 1.00 0.00 C ATOM 274 O VAL A 17 34.710 50.332 18.515 1.00 0.00 O ATOM 275 CB VAL A 17 37.730 48.812 19.308 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.245 48.989 19.271 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.242 49.044 20.735 1.00 0.00 C ATOM 0 H VAL A 17 36.826 51.442 19.370 1.00 0.00 H new ATOM 0 HA VAL A 17 37.374 49.455 17.297 1.00 0.00 H new ATOM 0 HB VAL A 17 37.488 47.792 19.011 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.706 48.336 20.012 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.617 48.732 18.279 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.496 50.026 19.496 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.786 48.390 21.416 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.414 50.083 21.014 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.176 48.824 20.795 1.00 0.00 H new ATOM 287 N GLU A 18 35.094 48.165 18.138 1.00 0.00 N ATOM 288 CA GLU A 18 33.741 47.696 18.360 1.00 0.00 C ATOM 289 C GLU A 18 33.705 46.531 19.351 1.00 0.00 C ATOM 290 O GLU A 18 34.685 45.793 19.424 1.00 0.00 O ATOM 291 CB GLU A 18 33.095 47.257 17.049 1.00 0.00 C ATOM 292 CG GLU A 18 32.743 48.423 16.129 1.00 0.00 C ATOM 293 CD GLU A 18 31.813 47.926 15.021 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.577 48.030 15.178 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.321 47.403 14.005 1.00 0.00 O ATOM 0 H GLU A 18 35.725 47.422 17.837 1.00 0.00 H new ATOM 0 HA GLU A 18 33.180 48.531 18.780 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.773 46.582 16.526 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.190 46.691 17.270 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.259 49.217 16.697 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.649 48.847 15.697 1.00 0.00 H new ATOM 302 N PRO A 19 32.604 46.294 20.058 1.00 0.00 N ATOM 303 CA PRO A 19 32.433 45.161 20.946 1.00 0.00 C ATOM 304 C PRO A 19 32.741 43.792 20.338 1.00 0.00 C ATOM 305 O PRO A 19 33.177 42.897 21.060 1.00 0.00 O ATOM 306 CB PRO A 19 30.980 45.213 21.406 1.00 0.00 C ATOM 307 CG PRO A 19 30.644 46.701 21.356 1.00 0.00 C ATOM 308 CD PRO A 19 31.457 47.174 20.154 1.00 0.00 C ATOM 0 HA PRO A 19 33.157 45.252 21.756 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.330 44.633 20.751 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.862 44.808 22.411 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.576 46.873 21.219 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.935 47.215 22.272 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.860 47.134 19.243 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.773 48.209 20.283 1.00 0.00 H new ATOM 316 N SER A 20 32.547 43.628 19.032 1.00 0.00 N ATOM 317 CA SER A 20 32.786 42.403 18.295 1.00 0.00 C ATOM 318 C SER A 20 34.122 42.347 17.551 1.00 0.00 C ATOM 319 O SER A 20 34.336 41.418 16.775 1.00 0.00 O ATOM 320 CB SER A 20 31.659 42.142 17.301 1.00 0.00 C ATOM 321 OG SER A 20 30.391 42.317 17.895 1.00 0.00 O ATOM 0 H SER A 20 32.204 44.382 18.438 1.00 0.00 H new ATOM 0 HA SER A 20 32.823 41.628 19.060 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.759 42.817 16.451 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.743 41.127 16.914 1.00 0.00 H new ATOM 0 HG SER A 20 29.692 42.144 17.231 1.00 0.00 H new ATOM 327 N ASP A 21 35.012 43.321 17.718 1.00 0.00 N ATOM 328 CA ASP A 21 36.274 43.333 17.006 1.00 0.00 C ATOM 329 C ASP A 21 37.241 42.261 17.511 1.00 0.00 C ATOM 330 O ASP A 21 37.112 41.742 18.619 1.00 0.00 O ATOM 331 CB ASP A 21 36.884 44.732 16.969 1.00 0.00 C ATOM 332 CG ASP A 21 37.807 44.970 15.773 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.495 46.012 15.738 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.775 44.183 14.801 1.00 0.00 O ATOM 0 H ASP A 21 34.876 44.114 18.345 1.00 0.00 H new ATOM 0 HA ASP A 21 36.065 43.064 15.971 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.081 45.468 16.949 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.445 44.898 17.888 1.00 0.00 H new ATOM 339 N THR A 22 38.210 41.889 16.679 1.00 0.00 N ATOM 340 CA THR A 22 39.113 40.779 16.908 1.00 0.00 C ATOM 341 C THR A 22 40.457 41.217 17.494 1.00 0.00 C ATOM 342 O THR A 22 40.935 42.316 17.221 1.00 0.00 O ATOM 343 CB THR A 22 39.299 39.944 15.646 1.00 0.00 C ATOM 344 OG1 THR A 22 39.686 40.745 14.551 1.00 0.00 O ATOM 345 CG2 THR A 22 38.007 39.237 15.247 1.00 0.00 C ATOM 0 H THR A 22 38.389 42.372 15.799 1.00 0.00 H new ATOM 0 HA THR A 22 38.641 40.148 17.662 1.00 0.00 H new ATOM 0 HB THR A 22 40.075 39.215 15.881 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.561 40.450 14.223 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.177 38.651 14.344 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.690 38.576 16.054 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.230 39.978 15.058 1.00 0.00 H new ATOM 353 N ILE A 23 41.092 40.358 18.286 1.00 0.00 N ATOM 354 CA ILE A 23 42.302 40.697 19.007 1.00 0.00 C ATOM 355 C ILE A 23 43.452 41.031 18.054 1.00 0.00 C ATOM 356 O ILE A 23 44.150 42.016 18.282 1.00 0.00 O ATOM 357 CB ILE A 23 42.656 39.607 20.014 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.602 39.422 21.103 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.024 39.822 20.655 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.357 40.617 22.020 1.00 0.00 C ATOM 0 H ILE A 23 40.774 39.402 18.443 1.00 0.00 H new ATOM 0 HA ILE A 23 42.118 41.606 19.580 1.00 0.00 H new ATOM 0 HB ILE A 23 42.688 38.691 19.424 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.659 39.160 20.624 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.894 38.572 21.720 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.225 39.018 21.363 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.792 39.825 19.881 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.034 40.778 21.179 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.589 40.364 22.750 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.281 40.873 22.539 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.026 41.469 21.426 1.00 0.00 H new ATOM 372 N GLU A 24 43.625 40.304 16.954 1.00 0.00 N ATOM 373 CA GLU A 24 44.655 40.642 15.993 1.00 0.00 C ATOM 374 C GLU A 24 44.363 41.926 15.213 1.00 0.00 C ATOM 375 O GLU A 24 45.289 42.648 14.848 1.00 0.00 O ATOM 376 CB GLU A 24 45.046 39.439 15.140 1.00 0.00 C ATOM 377 CG GLU A 24 44.378 39.271 13.778 1.00 0.00 C ATOM 378 CD GLU A 24 42.889 38.925 13.851 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.063 39.858 13.949 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.524 37.736 13.734 1.00 0.00 O ATOM 0 H GLU A 24 43.067 39.485 16.712 1.00 0.00 H new ATOM 0 HA GLU A 24 45.553 40.896 16.557 1.00 0.00 H new ATOM 0 HB2 GLU A 24 46.123 39.481 14.979 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.846 38.539 15.722 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.498 40.194 13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.896 38.487 13.226 1.00 0.00 H new ATOM 387 N ASN A 25 43.099 42.294 15.024 1.00 0.00 N ATOM 388 CA ASN A 25 42.706 43.571 14.465 1.00 0.00 C ATOM 389 C ASN A 25 42.915 44.735 15.436 1.00 0.00 C ATOM 390 O ASN A 25 43.200 45.849 15.002 1.00 0.00 O ATOM 391 CB ASN A 25 41.265 43.491 13.968 1.00 0.00 C ATOM 392 CG ASN A 25 40.926 44.569 12.937 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.743 44.959 12.106 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.699 45.081 12.924 1.00 0.00 N ATOM 0 H ASN A 25 42.308 41.696 15.262 1.00 0.00 H new ATOM 0 HA ASN A 25 43.359 43.782 13.618 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.093 42.509 13.528 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.588 43.583 14.817 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.448 45.786 12.231 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.009 44.768 13.607 1.00 0.00 H new ATOM 401 N VAL A 26 42.867 44.500 16.745 1.00 0.00 N ATOM 402 CA VAL A 26 43.276 45.472 17.739 1.00 0.00 C ATOM 403 C VAL A 26 44.799 45.618 17.770 1.00 0.00 C ATOM 404 O VAL A 26 45.281 46.748 17.779 1.00 0.00 O ATOM 405 CB VAL A 26 42.660 45.176 19.103 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.195 46.084 20.208 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.151 45.390 19.036 1.00 0.00 C ATOM 0 H VAL A 26 42.539 43.620 17.143 1.00 0.00 H new ATOM 0 HA VAL A 26 42.884 46.447 17.450 1.00 0.00 H new ATOM 0 HB VAL A 26 42.921 44.145 19.341 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.719 45.825 21.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.273 45.953 20.296 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.975 47.123 19.964 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.710 45.179 20.010 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.942 46.423 18.759 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.721 44.721 18.290 1.00 0.00 H new ATOM 417 N LYS A 27 45.561 44.535 17.648 1.00 0.00 N ATOM 418 CA LYS A 27 46.987 44.616 17.403 1.00 0.00 C ATOM 419 C LYS A 27 47.305 45.414 16.138 1.00 0.00 C ATOM 420 O LYS A 27 48.243 46.209 16.151 1.00 0.00 O ATOM 421 CB LYS A 27 47.636 43.238 17.312 1.00 0.00 C ATOM 422 CG LYS A 27 47.716 42.449 18.615 1.00 0.00 C ATOM 423 CD LYS A 27 48.490 41.158 18.361 1.00 0.00 C ATOM 424 CE LYS A 27 48.908 40.444 19.644 1.00 0.00 C ATOM 425 NZ LYS A 27 49.790 39.311 19.327 1.00 0.00 N ATOM 0 H LYS A 27 45.204 43.582 17.717 1.00 0.00 H new ATOM 0 HA LYS A 27 47.407 45.139 18.262 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.082 42.645 16.585 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.646 43.359 16.921 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.211 43.041 19.385 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.715 42.223 18.982 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.875 40.486 17.763 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.379 41.385 17.773 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.422 41.141 20.306 1.00 0.00 H new ATOM 0 HE3 LYS A 27 48.025 40.090 20.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.190 38.926 20.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.244 38.571 18.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.561 39.634 18.708 1.00 0.00 H new ATOM 439 N ALA A 28 46.508 45.270 15.083 1.00 0.00 N ATOM 440 CA ALA A 28 46.650 46.022 13.852 1.00 0.00 C ATOM 441 C ALA A 28 46.326 47.509 14.014 1.00 0.00 C ATOM 442 O ALA A 28 47.013 48.347 13.433 1.00 0.00 O ATOM 443 CB ALA A 28 45.801 45.377 12.761 1.00 0.00 C ATOM 0 H ALA A 28 45.730 44.611 15.066 1.00 0.00 H new ATOM 0 HA ALA A 28 47.700 45.986 13.561 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.908 45.942 11.835 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.133 44.351 12.600 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.755 45.376 13.067 1.00 0.00 H new ATOM 449 N LYS A 29 45.353 47.880 14.841 1.00 0.00 N ATOM 450 CA LYS A 29 45.078 49.258 15.195 1.00 0.00 C ATOM 451 C LYS A 29 46.217 49.906 15.985 1.00 0.00 C ATOM 452 O LYS A 29 46.509 51.081 15.773 1.00 0.00 O ATOM 453 CB LYS A 29 43.765 49.343 15.969 1.00 0.00 C ATOM 454 CG LYS A 29 42.553 49.202 15.052 1.00 0.00 C ATOM 455 CD LYS A 29 41.257 49.160 15.857 1.00 0.00 C ATOM 456 CE LYS A 29 40.040 49.114 14.936 1.00 0.00 C ATOM 457 NZ LYS A 29 39.944 47.839 14.209 1.00 0.00 N ATOM 0 H LYS A 29 44.724 47.214 15.290 1.00 0.00 H new ATOM 0 HA LYS A 29 44.990 49.821 14.266 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.739 48.560 16.727 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.714 50.297 16.494 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.523 50.037 14.352 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.646 48.292 14.459 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.258 48.286 16.508 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.197 50.037 16.501 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.135 49.264 15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.096 49.935 14.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.674 48.022 13.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.865 47.356 14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.226 47.236 14.659 1.00 0.00 H new ATOM 471 N ILE A 30 46.892 49.144 16.841 1.00 0.00 N ATOM 472 CA ILE A 30 48.101 49.566 17.520 1.00 0.00 C ATOM 473 C ILE A 30 49.256 49.705 16.526 1.00 0.00 C ATOM 474 O ILE A 30 50.027 50.658 16.619 1.00 0.00 O ATOM 475 CB ILE A 30 48.405 48.623 18.680 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.316 48.696 19.746 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.762 48.923 19.309 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.321 47.531 20.730 1.00 0.00 C ATOM 0 H ILE A 30 46.603 48.196 17.083 1.00 0.00 H new ATOM 0 HA ILE A 30 47.956 50.556 17.953 1.00 0.00 H new ATOM 0 HB ILE A 30 48.433 47.614 18.270 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.430 49.626 20.302 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.344 48.736 19.254 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.943 48.231 20.131 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.544 48.807 18.559 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.770 49.945 19.687 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.516 47.662 21.453 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.174 46.597 20.188 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.277 47.501 21.253 1.00 0.00 H new ATOM 490 N GLN A 31 49.363 48.829 15.531 1.00 0.00 N ATOM 491 CA GLN A 31 50.344 48.934 14.470 1.00 0.00 C ATOM 492 C GLN A 31 50.144 50.180 13.604 1.00 0.00 C ATOM 493 O GLN A 31 51.114 50.869 13.297 1.00 0.00 O ATOM 494 CB GLN A 31 50.330 47.649 13.646 1.00 0.00 C ATOM 495 CG GLN A 31 51.570 47.506 12.768 1.00 0.00 C ATOM 496 CD GLN A 31 51.609 46.171 12.023 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.608 45.483 11.837 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.784 45.736 11.578 1.00 0.00 N ATOM 0 H GLN A 31 48.757 48.014 15.443 1.00 0.00 H new ATOM 0 HA GLN A 31 51.329 49.055 14.920 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.262 46.792 14.316 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.440 47.634 13.017 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.596 48.322 12.046 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.462 47.599 13.387 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.624 46.296 11.725 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.845 44.842 11.090 1.00 0.00 H new ATOM 507 N ASP A 32 48.908 50.545 13.273 1.00 0.00 N ATOM 508 CA ASP A 32 48.610 51.752 12.527 1.00 0.00 C ATOM 509 C ASP A 32 48.896 53.027 13.321 1.00 0.00 C ATOM 510 O ASP A 32 49.474 53.968 12.783 1.00 0.00 O ATOM 511 CB ASP A 32 47.156 51.700 12.065 1.00 0.00 C ATOM 512 CG ASP A 32 46.763 52.933 11.248 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.917 53.721 11.725 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.305 53.141 10.141 1.00 0.00 O ATOM 0 H ASP A 32 48.081 50.002 13.520 1.00 0.00 H new ATOM 0 HA ASP A 32 49.272 51.791 11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.999 50.804 11.465 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.503 51.619 12.934 1.00 0.00 H new ATOM 519 N LYS A 33 48.493 53.078 14.588 1.00 0.00 N ATOM 520 CA LYS A 33 48.609 54.259 15.421 1.00 0.00 C ATOM 521 C LYS A 33 50.006 54.476 16.006 1.00 0.00 C ATOM 522 O LYS A 33 50.450 55.620 16.064 1.00 0.00 O ATOM 523 CB LYS A 33 47.503 54.237 16.473 1.00 0.00 C ATOM 524 CG LYS A 33 47.380 55.535 17.266 1.00 0.00 C ATOM 525 CD LYS A 33 46.047 55.630 18.003 1.00 0.00 C ATOM 526 CE LYS A 33 45.899 56.987 18.687 1.00 0.00 C ATOM 527 NZ LYS A 33 44.566 57.163 19.282 1.00 0.00 N ATOM 0 H LYS A 33 48.070 52.283 15.067 1.00 0.00 H new ATOM 0 HA LYS A 33 48.471 55.135 14.787 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.552 54.031 15.982 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.689 53.416 17.165 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.197 55.600 17.985 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.482 56.384 16.590 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.227 55.481 17.301 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.980 54.835 18.745 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.658 57.086 19.463 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.079 57.780 17.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.622 57.849 20.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.906 57.513 18.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.226 56.251 19.648 1.00 0.00 H new ATOM 541 N GLU A 34 50.701 53.420 16.419 1.00 0.00 N ATOM 542 CA GLU A 34 51.962 53.469 17.131 1.00 0.00 C ATOM 543 C GLU A 34 53.118 52.763 16.417 1.00 0.00 C ATOM 544 O GLU A 34 54.255 52.875 16.871 1.00 0.00 O ATOM 545 CB GLU A 34 51.788 52.872 18.524 1.00 0.00 C ATOM 546 CG GLU A 34 50.822 53.616 19.441 1.00 0.00 C ATOM 547 CD GLU A 34 51.383 54.956 19.923 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.357 54.971 20.707 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.868 56.024 19.529 1.00 0.00 O ATOM 0 H GLU A 34 50.380 52.466 16.256 1.00 0.00 H new ATOM 0 HA GLU A 34 52.235 54.523 17.184 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.443 51.843 18.419 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.764 52.833 19.008 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.884 53.788 18.912 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.592 52.991 20.304 1.00 0.00 H new ATOM 556 N GLY A 35 52.882 52.033 15.331 1.00 0.00 N ATOM 557 CA GLY A 35 53.920 51.383 14.557 1.00 0.00 C ATOM 558 C GLY A 35 54.394 50.025 15.077 1.00 0.00 C ATOM 559 O GLY A 35 55.333 49.463 14.518 1.00 0.00 O ATOM 0 H GLY A 35 51.944 51.877 14.962 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.557 51.253 13.537 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.780 52.051 14.507 1.00 0.00 H new ATOM 563 N ILE A 36 53.778 49.486 16.126 1.00 0.00 N ATOM 564 CA ILE A 36 54.258 48.328 16.852 1.00 0.00 C ATOM 565 C ILE A 36 53.849 47.034 16.147 1.00 0.00 C ATOM 566 O ILE A 36 52.649 46.805 16.006 1.00 0.00 O ATOM 567 CB ILE A 36 53.777 48.354 18.300 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.166 49.649 19.008 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.323 47.162 19.082 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.536 49.834 20.386 1.00 0.00 C ATOM 0 H ILE A 36 52.906 49.859 16.500 1.00 0.00 H new ATOM 0 HA ILE A 36 55.347 48.363 16.868 1.00 0.00 H new ATOM 0 HB ILE A 36 52.689 48.295 18.268 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.251 49.679 19.112 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.883 50.492 18.377 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.964 47.206 20.110 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.983 46.236 18.618 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.413 47.191 19.076 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.868 50.780 20.814 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.450 49.840 20.292 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.839 49.015 21.038 1.00 0.00 H new ATOM 582 N PRO A 37 54.769 46.169 15.729 1.00 0.00 N ATOM 583 CA PRO A 37 54.448 44.970 14.983 1.00 0.00 C ATOM 584 C PRO A 37 53.741 43.894 15.809 1.00 0.00 C ATOM 585 O PRO A 37 53.997 43.777 17.006 1.00 0.00 O ATOM 586 CB PRO A 37 55.772 44.492 14.393 1.00 0.00 C ATOM 587 CG PRO A 37 56.805 44.984 15.404 1.00 0.00 C ATOM 588 CD PRO A 37 56.205 46.315 15.848 1.00 0.00 C ATOM 0 HA PRO A 37 53.718 45.190 14.204 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.797 43.407 14.288 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.946 44.913 13.403 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.923 44.291 16.237 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.789 45.110 14.953 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.489 46.547 16.874 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.566 47.133 15.224 1.00 0.00 H new ATOM 596 N PRO A 38 52.845 43.100 15.228 1.00 0.00 N ATOM 597 CA PRO A 38 51.862 42.332 15.964 1.00 0.00 C ATOM 598 C PRO A 38 52.380 41.071 16.659 1.00 0.00 C ATOM 599 O PRO A 38 51.853 40.710 17.709 1.00 0.00 O ATOM 600 CB PRO A 38 50.777 41.989 14.947 1.00 0.00 C ATOM 601 CG PRO A 38 51.551 41.906 13.635 1.00 0.00 C ATOM 602 CD PRO A 38 52.539 43.055 13.813 1.00 0.00 C ATOM 0 HA PRO A 38 51.506 42.934 16.800 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.284 41.046 15.185 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.002 42.754 14.911 1.00 0.00 H new ATOM 0 HG2 PRO A 38 52.052 40.946 13.511 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.908 42.045 12.766 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.441 42.890 13.223 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.107 43.997 13.477 1.00 0.00 H new ATOM 610 N ASP A 39 53.412 40.414 16.137 1.00 0.00 N ATOM 611 CA ASP A 39 53.981 39.233 16.753 1.00 0.00 C ATOM 612 C ASP A 39 54.705 39.539 18.065 1.00 0.00 C ATOM 613 O ASP A 39 54.949 38.635 18.861 1.00 0.00 O ATOM 614 CB ASP A 39 54.958 38.525 15.818 1.00 0.00 C ATOM 615 CG ASP A 39 54.293 37.933 14.574 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.583 38.432 13.465 1.00 0.00 O ATOM 617 OD2 ASP A 39 53.533 36.949 14.704 1.00 0.00 O ATOM 0 H ASP A 39 53.874 40.692 15.271 1.00 0.00 H new ATOM 0 HA ASP A 39 53.132 38.583 16.965 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.728 39.232 15.507 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.460 37.728 16.366 1.00 0.00 H new ATOM 622 N GLN A 40 55.033 40.806 18.305 1.00 0.00 N ATOM 623 CA GLN A 40 55.782 41.291 19.447 1.00 0.00 C ATOM 624 C GLN A 40 54.886 41.912 20.520 1.00 0.00 C ATOM 625 O GLN A 40 55.381 42.299 21.577 1.00 0.00 O ATOM 626 CB GLN A 40 56.866 42.246 18.954 1.00 0.00 C ATOM 627 CG GLN A 40 57.895 41.623 18.015 1.00 0.00 C ATOM 628 CD GLN A 40 57.595 41.695 16.517 1.00 0.00 C ATOM 629 OE1 GLN A 40 56.463 41.641 16.040 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.619 41.849 15.683 1.00 0.00 N ATOM 0 H GLN A 40 54.766 41.558 17.670 1.00 0.00 H new ATOM 0 HA GLN A 40 56.258 40.446 19.944 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.388 43.081 18.442 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.387 42.658 19.818 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.855 42.108 18.193 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.013 40.574 18.288 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.571 41.897 16.047 1.00 0.00 H new ATOM 0 HE22 GLN A 40 58.453 41.919 14.679 1.00 0.00 H new ATOM 639 N GLN A 41 53.578 41.977 20.288 1.00 0.00 N ATOM 640 CA GLN A 41 52.582 42.469 21.219 1.00 0.00 C ATOM 641 C GLN A 41 51.976 41.330 22.042 1.00 0.00 C ATOM 642 O GLN A 41 51.650 40.287 21.479 1.00 0.00 O ATOM 643 CB GLN A 41 51.468 43.190 20.466 1.00 0.00 C ATOM 644 CG GLN A 41 51.854 44.467 19.726 1.00 0.00 C ATOM 645 CD GLN A 41 50.646 45.130 19.062 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.560 45.205 19.632 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.744 45.635 17.835 1.00 0.00 N ATOM 0 H GLN A 41 53.171 41.673 19.404 1.00 0.00 H new ATOM 0 HA GLN A 41 53.080 43.162 21.897 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.041 42.495 19.744 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.680 43.435 21.178 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.313 45.166 20.425 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.603 44.235 18.968 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.631 45.589 17.334 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.932 46.068 17.395 1.00 0.00 H new ATOM 656 N ARG A 42 51.724 41.544 23.330 1.00 0.00 N ATOM 657 CA ARG A 42 50.866 40.721 24.159 1.00 0.00 C ATOM 658 C ARG A 42 49.837 41.606 24.865 1.00 0.00 C ATOM 659 O ARG A 42 50.223 42.504 25.610 1.00 0.00 O ATOM 660 CB ARG A 42 51.674 39.935 25.187 1.00 0.00 C ATOM 661 CG ARG A 42 52.769 39.028 24.634 1.00 0.00 C ATOM 662 CD ARG A 42 52.245 37.862 23.799 1.00 0.00 C ATOM 663 NE ARG A 42 53.356 37.086 23.247 1.00 0.00 N ATOM 664 CZ ARG A 42 54.086 37.399 22.167 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.786 38.428 21.363 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.186 36.697 21.864 1.00 0.00 N ATOM 0 H ARG A 42 52.131 42.328 23.840 1.00 0.00 H new ATOM 0 HA ARG A 42 50.355 40.003 23.518 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.132 40.644 25.877 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.985 39.324 25.769 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.446 39.624 24.023 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.354 38.633 25.465 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.616 37.220 24.415 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.620 38.239 22.990 1.00 0.00 H new ATOM 0 HE ARG A 42 53.599 36.222 23.732 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.973 39.011 21.562 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.371 38.629 20.552 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.473 35.918 22.457 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.736 36.941 21.041 1.00 0.00 H new ATOM 680 N LEU A 43 48.549 41.376 24.621 1.00 0.00 N ATOM 681 CA LEU A 43 47.465 42.148 25.195 1.00 0.00 C ATOM 682 C LEU A 43 46.832 41.437 26.393 1.00 0.00 C ATOM 683 O LEU A 43 46.664 40.220 26.377 1.00 0.00 O ATOM 684 CB LEU A 43 46.439 42.489 24.118 1.00 0.00 C ATOM 685 CG LEU A 43 46.934 43.441 23.033 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.909 43.546 21.907 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.180 44.849 23.567 1.00 0.00 C ATOM 0 H LEU A 43 48.229 40.629 24.004 1.00 0.00 H new ATOM 0 HA LEU A 43 47.873 43.082 25.580 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.110 41.564 23.645 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.565 42.931 24.597 1.00 0.00 H new ATOM 0 HG LEU A 43 47.874 43.027 22.669 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.278 44.229 21.142 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.749 42.561 21.468 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.967 43.923 22.306 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.531 45.489 22.757 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.252 45.252 23.972 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.933 44.813 24.354 1.00 0.00 H new ATOM 699 N ILE A 44 46.484 42.195 27.430 1.00 0.00 N ATOM 700 CA ILE A 44 45.913 41.728 28.677 1.00 0.00 C ATOM 701 C ILE A 44 44.666 42.543 29.026 1.00 0.00 C ATOM 702 O ILE A 44 44.682 43.767 28.919 1.00 0.00 O ATOM 703 CB ILE A 44 46.956 41.779 29.789 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.116 40.823 29.519 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.369 41.498 31.168 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.325 41.006 30.433 1.00 0.00 C ATOM 0 H ILE A 44 46.602 43.208 27.415 1.00 0.00 H new ATOM 0 HA ILE A 44 45.605 40.688 28.564 1.00 0.00 H new ATOM 0 HB ILE A 44 47.331 42.802 29.791 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.755 39.799 29.619 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.438 40.948 28.485 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.159 41.548 31.917 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.605 42.241 31.396 1.00 0.00 H new ATOM 0 HG23 ILE A 44 45.923 40.504 31.178 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.096 40.284 30.165 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.718 42.016 30.318 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.025 40.849 31.469 1.00 0.00 H new ATOM 718 N PHE A 45 43.615 41.882 29.503 1.00 0.00 N ATOM 719 CA PHE A 45 42.452 42.480 30.126 1.00 0.00 C ATOM 720 C PHE A 45 42.013 41.681 31.355 1.00 0.00 C ATOM 721 O PHE A 45 42.015 40.452 31.317 1.00 0.00 O ATOM 722 CB PHE A 45 41.292 42.586 29.139 1.00 0.00 C ATOM 723 CG PHE A 45 39.999 43.109 29.716 1.00 0.00 C ATOM 724 CD1 PHE A 45 39.900 44.452 30.100 1.00 0.00 C ATOM 725 CD2 PHE A 45 38.890 42.267 29.863 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.704 44.948 30.631 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.689 42.763 30.382 1.00 0.00 C ATOM 728 CZ PHE A 45 37.594 44.106 30.767 1.00 0.00 C ATOM 0 H PHE A 45 43.554 40.865 29.460 1.00 0.00 H new ATOM 0 HA PHE A 45 42.735 43.484 30.443 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.594 43.237 28.318 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.108 41.600 28.713 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.750 45.108 29.986 1.00 0.00 H new ATOM 0 HD2 PHE A 45 38.962 41.229 29.574 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.637 45.982 30.936 1.00 0.00 H new ATOM 0 HE2 PHE A 45 36.835 42.110 30.486 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.668 44.491 31.167 1.00 0.00 H new ATOM 738 N ALA A 46 41.625 42.366 32.427 1.00 0.00 N ATOM 739 CA ALA A 46 41.168 41.790 33.676 1.00 0.00 C ATOM 740 C ALA A 46 42.066 40.667 34.198 1.00 0.00 C ATOM 741 O ALA A 46 41.592 39.606 34.600 1.00 0.00 O ATOM 742 CB ALA A 46 39.691 41.426 33.552 1.00 0.00 C ATOM 0 H ALA A 46 41.623 43.386 32.443 1.00 0.00 H new ATOM 0 HA ALA A 46 41.253 42.541 34.462 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.343 40.992 34.490 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.113 42.323 33.330 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.561 40.702 32.747 1.00 0.00 H new ATOM 748 N GLY A 47 43.380 40.864 34.141 1.00 0.00 N ATOM 749 CA GLY A 47 44.388 39.915 34.568 1.00 0.00 C ATOM 750 C GLY A 47 44.666 38.726 33.646 1.00 0.00 C ATOM 751 O GLY A 47 45.610 37.986 33.918 1.00 0.00 O ATOM 0 H GLY A 47 43.782 41.729 33.779 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.323 40.457 34.711 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.093 39.525 35.542 1.00 0.00 H new ATOM 755 N LYS A 48 43.913 38.532 32.567 1.00 0.00 N ATOM 756 CA LYS A 48 44.083 37.450 31.618 1.00 0.00 C ATOM 757 C LYS A 48 44.651 37.944 30.287 1.00 0.00 C ATOM 758 O LYS A 48 44.262 39.006 29.804 1.00 0.00 O ATOM 759 CB LYS A 48 42.764 36.714 31.397 1.00 0.00 C ATOM 760 CG LYS A 48 42.333 35.873 32.594 1.00 0.00 C ATOM 761 CD LYS A 48 41.057 35.103 32.266 1.00 0.00 C ATOM 762 CE LYS A 48 40.527 34.239 33.407 1.00 0.00 C ATOM 763 NZ LYS A 48 40.149 35.029 34.588 1.00 0.00 N ATOM 0 H LYS A 48 43.139 39.151 32.326 1.00 0.00 H new ATOM 0 HA LYS A 48 44.805 36.754 32.045 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.984 37.441 31.173 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.858 36.069 30.524 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.127 35.177 32.863 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.166 36.516 33.458 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.283 35.814 31.976 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.244 34.466 31.402 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.661 33.676 33.059 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.288 33.511 33.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.733 34.402 35.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.993 35.493 34.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.453 35.751 34.314 1.00 0.00 H new ATOM 777 N GLN A 49 45.544 37.166 29.682 1.00 0.00 N ATOM 778 CA GLN A 49 46.096 37.445 28.372 1.00 0.00 C ATOM 779 C GLN A 49 45.106 37.077 27.265 1.00 0.00 C ATOM 780 O GLN A 49 44.356 36.108 27.373 1.00 0.00 O ATOM 781 CB GLN A 49 47.441 36.745 28.200 1.00 0.00 C ATOM 782 CG GLN A 49 48.290 37.389 27.108 1.00 0.00 C ATOM 783 CD GLN A 49 49.522 36.547 26.772 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.570 35.855 25.758 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.567 36.562 27.595 1.00 0.00 N ATOM 0 H GLN A 49 45.907 36.310 30.101 1.00 0.00 H new ATOM 0 HA GLN A 49 46.272 38.518 28.290 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.985 36.771 29.144 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.274 35.696 27.957 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.686 37.523 26.210 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.605 38.381 27.431 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.542 37.132 28.441 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.393 36.004 27.380 1.00 0.00 H new ATOM 794 N LEU A 50 45.103 37.860 26.191 1.00 0.00 N ATOM 795 CA LEU A 50 44.157 37.788 25.096 1.00 0.00 C ATOM 796 C LEU A 50 44.791 37.124 23.873 1.00 0.00 C ATOM 797 O LEU A 50 45.905 37.469 23.484 1.00 0.00 O ATOM 798 CB LEU A 50 43.612 39.179 24.789 1.00 0.00 C ATOM 799 CG LEU A 50 43.200 40.007 26.003 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.678 41.371 25.558 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.133 39.336 26.862 1.00 0.00 C ATOM 0 H LEU A 50 45.797 38.596 26.060 1.00 0.00 H new ATOM 0 HA LEU A 50 43.314 37.162 25.387 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.370 39.732 24.234 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.748 39.075 24.132 1.00 0.00 H new ATOM 0 HG LEU A 50 44.098 40.111 26.612 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.387 41.952 26.433 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.460 41.900 25.014 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.813 41.235 24.909 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.888 39.980 27.707 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.238 39.166 26.264 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.510 38.382 27.230 1.00 0.00 H new ATOM 813 N GLU A 51 44.088 36.168 23.271 1.00 0.00 N ATOM 814 CA GLU A 51 44.567 35.380 22.153 1.00 0.00 C ATOM 815 C GLU A 51 44.098 35.938 20.808 1.00 0.00 C ATOM 816 O GLU A 51 42.935 36.295 20.630 1.00 0.00 O ATOM 817 CB GLU A 51 44.162 33.915 22.289 1.00 0.00 C ATOM 818 CG GLU A 51 44.637 33.233 23.570 1.00 0.00 C ATOM 819 CD GLU A 51 44.221 31.764 23.663 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.341 31.167 24.755 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.785 31.175 22.650 1.00 0.00 O ATOM 0 H GLU A 51 43.143 35.918 23.561 1.00 0.00 H new ATOM 0 HA GLU A 51 45.655 35.442 22.175 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.075 33.848 22.240 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.554 33.364 21.434 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.723 33.300 23.628 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.238 33.772 24.430 1.00 0.00 H new ATOM 828 N ASP A 52 45.009 35.987 19.841 1.00 0.00 N ATOM 829 CA ASP A 52 44.840 36.622 18.550 1.00 0.00 C ATOM 830 C ASP A 52 43.581 36.203 17.786 1.00 0.00 C ATOM 831 O ASP A 52 42.926 37.048 17.182 1.00 0.00 O ATOM 832 CB ASP A 52 46.075 36.330 17.703 1.00 0.00 C ATOM 833 CG ASP A 52 47.393 36.721 18.375 1.00 0.00 C ATOM 834 OD1 ASP A 52 48.002 37.735 17.971 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.848 35.990 19.281 1.00 0.00 O ATOM 0 H ASP A 52 45.930 35.562 19.948 1.00 0.00 H new ATOM 0 HA ASP A 52 44.717 37.688 18.742 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.100 35.266 17.468 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.989 36.863 16.756 1.00 0.00 H new ATOM 840 N GLY A 53 43.213 34.925 17.836 1.00 0.00 N ATOM 841 CA GLY A 53 42.097 34.336 17.124 1.00 0.00 C ATOM 842 C GLY A 53 40.701 34.605 17.686 1.00 0.00 C ATOM 843 O GLY A 53 39.742 34.050 17.152 1.00 0.00 O ATOM 0 H GLY A 53 43.715 34.243 18.405 1.00 0.00 H new ATOM 0 HA2 GLY A 53 42.124 34.694 16.095 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.247 33.257 17.090 1.00 0.00 H new ATOM 847 N ARG A 54 40.573 35.392 18.751 1.00 0.00 N ATOM 848 CA ARG A 54 39.353 35.651 19.489 1.00 0.00 C ATOM 849 C ARG A 54 38.859 37.092 19.346 1.00 0.00 C ATOM 850 O ARG A 54 39.512 37.939 18.741 1.00 0.00 O ATOM 851 CB ARG A 54 39.560 35.231 20.942 1.00 0.00 C ATOM 852 CG ARG A 54 39.708 33.721 21.100 1.00 0.00 C ATOM 853 CD ARG A 54 40.091 33.322 22.522 1.00 0.00 C ATOM 854 NE ARG A 54 40.268 31.876 22.654 1.00 0.00 N ATOM 855 CZ ARG A 54 39.317 30.967 22.910 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.036 31.281 23.148 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.631 29.665 22.915 1.00 0.00 N ATOM 0 H ARG A 54 41.371 35.894 19.141 1.00 0.00 H new ATOM 0 HA ARG A 54 38.549 35.052 19.060 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.450 35.723 21.335 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.715 35.574 21.540 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.770 33.236 20.829 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.467 33.358 20.406 1.00 0.00 H new ATOM 0 HD2 ARG A 54 41.014 33.828 22.805 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.319 33.658 23.214 1.00 0.00 H new ATOM 0 HE ARG A 54 41.217 31.521 22.539 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.740 32.257 23.140 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.357 30.544 23.337 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.589 29.371 22.725 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.912 28.968 23.109 1.00 0.00 H new ATOM 871 N THR A 55 37.680 37.374 19.895 1.00 0.00 N ATOM 872 CA THR A 55 37.016 38.662 19.869 1.00 0.00 C ATOM 873 C THR A 55 36.978 39.347 21.236 1.00 0.00 C ATOM 874 O THR A 55 37.037 38.685 22.271 1.00 0.00 O ATOM 875 CB THR A 55 35.586 38.558 19.345 1.00 0.00 C ATOM 876 OG1 THR A 55 34.862 37.559 20.028 1.00 0.00 O ATOM 877 CG2 THR A 55 35.517 38.225 17.857 1.00 0.00 C ATOM 0 H THR A 55 37.139 36.669 20.395 1.00 0.00 H new ATOM 0 HA THR A 55 37.616 39.269 19.191 1.00 0.00 H new ATOM 0 HB THR A 55 35.152 39.543 19.514 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.041 37.945 20.398 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.474 38.165 17.546 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.022 39.004 17.286 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.006 37.268 17.675 1.00 0.00 H new ATOM 885 N LEU A 56 36.796 40.663 21.256 1.00 0.00 N ATOM 886 CA LEU A 56 36.541 41.432 22.457 1.00 0.00 C ATOM 887 C LEU A 56 35.331 40.900 23.229 1.00 0.00 C ATOM 888 O LEU A 56 35.359 40.812 24.454 1.00 0.00 O ATOM 889 CB LEU A 56 36.361 42.902 22.087 1.00 0.00 C ATOM 890 CG LEU A 56 37.647 43.722 22.138 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.694 43.301 21.110 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.343 45.200 21.913 1.00 0.00 C ATOM 0 H LEU A 56 36.824 41.235 20.412 1.00 0.00 H new ATOM 0 HA LEU A 56 37.399 41.333 23.122 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.944 42.964 21.082 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.632 43.348 22.763 1.00 0.00 H new ATOM 0 HG LEU A 56 38.061 43.541 23.130 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.577 43.932 21.211 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.970 42.260 21.277 1.00 0.00 H new ATOM 0 HD13 LEU A 56 38.283 43.410 20.106 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.270 45.772 21.952 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.877 45.331 20.937 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.665 45.554 22.689 1.00 0.00 H new ATOM 904 N SER A 57 34.297 40.475 22.509 1.00 0.00 N ATOM 905 CA SER A 57 33.114 39.820 23.030 1.00 0.00 C ATOM 906 C SER A 57 33.370 38.474 23.711 1.00 0.00 C ATOM 907 O SER A 57 32.613 38.125 24.615 1.00 0.00 O ATOM 908 CB SER A 57 32.096 39.657 21.905 1.00 0.00 C ATOM 909 OG SER A 57 32.662 38.997 20.794 1.00 0.00 O ATOM 0 H SER A 57 34.266 40.587 21.496 1.00 0.00 H new ATOM 0 HA SER A 57 32.731 40.467 23.819 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.237 39.092 22.268 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.728 40.636 21.600 1.00 0.00 H new ATOM 0 HG SER A 57 31.987 38.905 20.089 1.00 0.00 H new ATOM 915 N ASP A 58 34.431 37.749 23.374 1.00 0.00 N ATOM 916 CA ASP A 58 34.826 36.523 24.038 1.00 0.00 C ATOM 917 C ASP A 58 35.450 36.775 25.412 1.00 0.00 C ATOM 918 O ASP A 58 35.527 35.868 26.237 1.00 0.00 O ATOM 919 CB ASP A 58 35.766 35.732 23.133 1.00 0.00 C ATOM 920 CG ASP A 58 35.892 34.269 23.561 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.860 33.563 23.589 1.00 0.00 O ATOM 922 OD2 ASP A 58 37.019 33.788 23.811 1.00 0.00 O ATOM 0 H ASP A 58 35.054 38.010 22.610 1.00 0.00 H new ATOM 0 HA ASP A 58 33.927 35.934 24.221 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.402 35.778 22.107 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.752 36.197 23.142 1.00 0.00 H new ATOM 927 N TYR A 59 35.843 38.015 25.692 1.00 0.00 N ATOM 928 CA TYR A 59 36.463 38.460 26.923 1.00 0.00 C ATOM 929 C TYR A 59 35.642 39.471 27.727 1.00 0.00 C ATOM 930 O TYR A 59 36.116 39.941 28.760 1.00 0.00 O ATOM 931 CB TYR A 59 37.854 39.002 26.605 1.00 0.00 C ATOM 932 CG TYR A 59 38.830 37.971 26.093 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.321 36.993 26.967 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.282 38.022 24.770 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.264 36.061 26.520 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.235 37.102 24.315 1.00 0.00 C ATOM 937 CZ TYR A 59 40.725 36.112 25.190 1.00 0.00 C ATOM 938 OH TYR A 59 41.658 35.218 24.753 1.00 0.00 O ATOM 0 H TYR A 59 35.727 38.775 25.022 1.00 0.00 H new ATOM 0 HA TYR A 59 36.528 37.591 27.577 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.760 39.794 25.862 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.266 39.457 27.505 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.971 36.958 27.988 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.895 38.773 24.097 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.638 35.304 27.193 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.593 37.151 23.297 1.00 0.00 H new ATOM 0 HH TYR A 59 41.561 34.377 25.246 1.00 0.00 H new ATOM 948 N ASN A 60 34.423 39.800 27.311 1.00 0.00 N ATOM 949 CA ASN A 60 33.593 40.814 27.931 1.00 0.00 C ATOM 950 C ASN A 60 34.235 42.202 27.975 1.00 0.00 C ATOM 951 O ASN A 60 34.074 42.938 28.946 1.00 0.00 O ATOM 952 CB ASN A 60 33.069 40.304 29.270 1.00 0.00 C ATOM 953 CG ASN A 60 31.927 41.139 29.853 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.193 41.835 29.155 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.702 41.058 31.162 1.00 0.00 N ATOM 0 H ASN A 60 33.977 39.353 26.510 1.00 0.00 H new ATOM 0 HA ASN A 60 32.727 40.983 27.292 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.727 39.276 29.147 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.891 40.283 29.985 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.925 41.571 31.579 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.306 40.483 31.749 1.00 0.00 H new ATOM 962 N ILE A 61 34.974 42.575 26.934 1.00 0.00 N ATOM 963 CA ILE A 61 35.592 43.881 26.813 1.00 0.00 C ATOM 964 C ILE A 61 34.556 44.860 26.257 1.00 0.00 C ATOM 965 O ILE A 61 34.038 44.656 25.162 1.00 0.00 O ATOM 966 CB ILE A 61 36.862 43.816 25.970 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.924 42.962 26.653 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.422 45.210 25.698 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.074 42.520 25.753 1.00 0.00 C ATOM 0 H ILE A 61 35.160 41.963 26.139 1.00 0.00 H new ATOM 0 HA ILE A 61 35.911 44.238 27.792 1.00 0.00 H new ATOM 0 HB ILE A 61 36.594 43.358 25.018 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.335 43.523 27.493 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.444 42.075 27.066 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.326 45.128 25.095 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.681 45.802 25.161 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.659 45.698 26.644 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.777 41.918 26.330 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.682 41.928 24.926 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.586 43.398 25.359 1.00 0.00 H new ATOM 981 N GLN A 62 34.258 45.910 27.018 1.00 0.00 N ATOM 982 CA GLN A 62 33.219 46.883 26.752 1.00 0.00 C ATOM 983 C GLN A 62 33.783 48.288 26.533 1.00 0.00 C ATOM 984 O GLN A 62 34.984 48.514 26.666 1.00 0.00 O ATOM 985 CB GLN A 62 32.221 46.854 27.906 1.00 0.00 C ATOM 986 CG GLN A 62 31.525 45.503 28.042 1.00 0.00 C ATOM 987 CD GLN A 62 30.370 45.523 29.046 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.841 46.558 29.442 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.902 44.365 29.503 1.00 0.00 N ATOM 0 H GLN A 62 34.765 46.109 27.880 1.00 0.00 H new ATOM 0 HA GLN A 62 32.715 46.618 25.823 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.739 47.088 28.836 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.472 47.631 27.754 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.146 45.196 27.067 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.254 44.754 28.351 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.320 43.488 29.193 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.125 44.354 30.164 1.00 0.00 H new ATOM 998 N LYS A 63 32.926 49.258 26.228 1.00 0.00 N ATOM 999 CA LYS A 63 33.284 50.656 26.105 1.00 0.00 C ATOM 1000 C LYS A 63 34.036 51.186 27.327 1.00 0.00 C ATOM 1001 O LYS A 63 33.775 50.774 28.455 1.00 0.00 O ATOM 1002 CB LYS A 63 32.051 51.499 25.791 1.00 0.00 C ATOM 1003 CG LYS A 63 31.015 51.560 26.910 1.00 0.00 C ATOM 1004 CD LYS A 63 29.903 52.568 26.632 1.00 0.00 C ATOM 1005 CE LYS A 63 28.966 52.138 25.508 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.961 53.183 25.255 1.00 0.00 N ATOM 0 H LYS A 63 31.936 49.082 26.056 1.00 0.00 H new ATOM 0 HA LYS A 63 33.979 50.738 25.269 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.372 52.514 25.557 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.575 51.101 24.895 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.577 50.571 27.048 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.511 51.822 27.845 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.322 52.718 27.542 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.349 53.529 26.376 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.539 51.947 24.601 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.471 51.204 25.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.329 52.878 24.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.404 53.345 26.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.439 54.065 24.980 1.00 0.00 H new ATOM 1020 N GLU A 64 34.980 52.097 27.108 1.00 0.00 N ATOM 1021 CA GLU A 64 35.792 52.739 28.121 1.00 0.00 C ATOM 1022 C GLU A 64 36.669 51.798 28.949 1.00 0.00 C ATOM 1023 O GLU A 64 37.198 52.197 29.984 1.00 0.00 O ATOM 1024 CB GLU A 64 34.960 53.690 28.975 1.00 0.00 C ATOM 1025 CG GLU A 64 33.991 54.606 28.233 1.00 0.00 C ATOM 1026 CD GLU A 64 34.652 55.518 27.197 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.826 55.902 27.392 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.982 55.870 26.202 1.00 0.00 O ATOM 0 H GLU A 64 35.206 52.420 26.167 1.00 0.00 H new ATOM 0 HA GLU A 64 36.521 53.334 27.571 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.388 53.096 29.688 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.642 54.313 29.554 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.241 53.993 27.734 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.465 55.224 28.961 1.00 0.00 H new ATOM 1035 N SER A 65 36.853 50.552 28.521 1.00 0.00 N ATOM 1036 CA SER A 65 37.725 49.584 29.155 1.00 0.00 C ATOM 1037 C SER A 65 39.204 49.897 28.914 1.00 0.00 C ATOM 1038 O SER A 65 39.555 50.514 27.911 1.00 0.00 O ATOM 1039 CB SER A 65 37.452 48.163 28.672 1.00 0.00 C ATOM 1040 OG SER A 65 36.120 47.778 28.924 1.00 0.00 O ATOM 0 H SER A 65 36.381 50.182 27.696 1.00 0.00 H new ATOM 0 HA SER A 65 37.508 49.653 30.221 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.655 48.096 27.603 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.132 47.472 29.170 1.00 0.00 H new ATOM 0 HG SER A 65 35.519 48.265 28.322 1.00 0.00 H new ATOM 1046 N THR A 66 40.076 49.410 29.793 1.00 0.00 N ATOM 1047 CA THR A 66 41.518 49.518 29.697 1.00 0.00 C ATOM 1048 C THR A 66 42.166 48.142 29.536 1.00 0.00 C ATOM 1049 O THR A 66 42.035 47.273 30.395 1.00 0.00 O ATOM 1050 CB THR A 66 42.094 50.243 30.910 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.657 51.582 30.916 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.619 50.324 30.902 1.00 0.00 C ATOM 0 H THR A 66 39.776 48.907 30.628 1.00 0.00 H new ATOM 0 HA THR A 66 41.746 50.105 28.808 1.00 0.00 H new ATOM 0 HB THR A 66 41.757 49.670 31.773 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.027 52.044 31.697 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.960 50.852 31.793 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.037 49.317 30.894 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.950 50.861 30.013 1.00 0.00 H new ATOM 1060 N LEU A 67 42.909 47.969 28.446 1.00 0.00 N ATOM 1061 CA LEU A 67 43.834 46.875 28.227 1.00 0.00 C ATOM 1062 C LEU A 67 45.232 47.270 28.710 1.00 0.00 C ATOM 1063 O LEU A 67 45.553 48.453 28.802 1.00 0.00 O ATOM 1064 CB LEU A 67 43.890 46.495 26.751 1.00 0.00 C ATOM 1065 CG LEU A 67 42.580 46.425 25.971 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.857 45.988 24.536 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.587 45.430 26.564 1.00 0.00 C ATOM 0 H LEU A 67 42.877 48.619 27.661 1.00 0.00 H new ATOM 0 HA LEU A 67 43.482 46.013 28.793 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.539 47.212 26.248 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.373 45.521 26.677 1.00 0.00 H new ATOM 0 HG LEU A 67 42.145 47.423 26.017 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.919 45.939 23.983 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.523 46.707 24.059 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.327 45.005 24.539 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.676 45.425 25.966 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.027 44.433 26.563 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.348 45.720 27.587 1.00 0.00 H new ATOM 1079 N HIS A 68 46.103 46.288 28.926 1.00 0.00 N ATOM 1080 CA HIS A 68 47.529 46.493 29.070 1.00 0.00 C ATOM 1081 C HIS A 68 48.273 45.818 27.916 1.00 0.00 C ATOM 1082 O HIS A 68 47.865 44.753 27.459 1.00 0.00 O ATOM 1083 CB HIS A 68 48.017 46.005 30.431 1.00 0.00 C ATOM 1084 CG HIS A 68 47.439 46.747 31.604 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.128 47.651 32.411 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.190 46.557 32.136 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.285 48.019 33.379 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.117 47.369 33.251 1.00 0.00 N ATOM 0 H HIS A 68 45.825 45.310 29.006 1.00 0.00 H new ATOM 0 HA HIS A 68 47.741 47.561 29.025 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.775 44.947 30.532 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.103 46.088 30.464 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.418 45.903 31.759 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.510 48.737 34.154 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.313 47.459 33.872 1.00 0.00 H new ATOM 1096 N LEU A 69 49.361 46.429 27.456 1.00 0.00 N ATOM 1097 CA LEU A 69 50.236 45.925 26.416 1.00 0.00 C ATOM 1098 C LEU A 69 51.626 45.640 26.989 1.00 0.00 C ATOM 1099 O LEU A 69 52.315 46.553 27.438 1.00 0.00 O ATOM 1100 CB LEU A 69 50.272 46.931 25.269 1.00 0.00 C ATOM 1101 CG LEU A 69 51.306 46.653 24.182 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.109 45.308 23.487 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.225 47.734 23.108 1.00 0.00 C ATOM 0 H LEU A 69 49.666 47.332 27.819 1.00 0.00 H new ATOM 0 HA LEU A 69 49.858 44.981 26.024 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.285 46.964 24.807 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.463 47.921 25.683 1.00 0.00 H new ATOM 0 HG LEU A 69 52.273 46.642 24.684 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.878 45.175 22.726 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.182 44.505 24.221 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.126 45.282 23.017 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.965 47.533 22.333 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.228 47.735 22.667 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.424 48.708 23.556 1.00 0.00 H new ATOM 1115 N VAL A 70 52.062 44.387 26.896 1.00 0.00 N ATOM 1116 CA VAL A 70 53.405 43.937 27.202 1.00 0.00 C ATOM 1117 C VAL A 70 54.115 43.575 25.897 1.00 0.00 C ATOM 1118 O VAL A 70 53.507 42.969 25.017 1.00 0.00 O ATOM 1119 CB VAL A 70 53.377 42.769 28.185 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.781 42.298 28.553 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.669 43.146 29.482 1.00 0.00 C ATOM 0 H VAL A 70 51.455 43.626 26.590 1.00 0.00 H new ATOM 0 HA VAL A 70 53.962 44.737 27.689 1.00 0.00 H new ATOM 0 HB VAL A 70 52.838 41.970 27.676 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.714 41.466 29.254 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.303 41.973 27.653 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.331 43.118 29.015 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.668 42.291 30.158 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.191 43.980 29.952 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.642 43.438 29.264 1.00 0.00 H new