USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -50:sc= 1.22 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 0.211 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 174:sc= 0.951 (180deg=-0.00648) USER MOD Set 2.2: A 12 THR OG1 : rot 152:sc= 0.829 USER MOD Single : A 1 MET CE :methyl -159:sc= 0 (180deg=-0.329) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.14 (180deg=1.97) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= 0.0477 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 25 ASN : amide:sc= -0.92 K(o=-0.92,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 0.997 (180deg=0.629) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 1.34 (180deg=1.32) USER MOD Single : A 31 GLN : amide:sc= -0.706 X(o=-0.71,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.19) USER MOD Single : A 40 GLN : amide:sc=-0.00178 X(o=-0.0018,f=-0.32) USER MOD Single : A 41 GLN : amide:sc= 1.14 K(o=1.1,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.0165 (180deg=-0.28) USER MOD Single : A 49 GLN : amide:sc= 0.974 K(o=0.97,f=-4!) USER MOD Single : A 59 TYR OH : rot -176:sc= 1.42 USER MOD Single : A 60 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.2) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 88:sc= 1.18 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 32.805 51.724 19.538 1.00 0.00 N ATOM 2 CA MET A 1 33.076 52.018 20.953 1.00 0.00 C ATOM 3 C MET A 1 34.544 52.397 21.162 1.00 0.00 C ATOM 4 O MET A 1 35.414 51.903 20.448 1.00 0.00 O ATOM 5 CB MET A 1 32.660 50.900 21.904 1.00 0.00 C ATOM 6 CG MET A 1 33.372 49.569 21.674 1.00 0.00 C ATOM 7 SD MET A 1 32.955 48.277 22.871 1.00 0.00 S ATOM 8 CE MET A 1 34.162 47.014 22.396 1.00 0.00 C ATOM 0 H1 MET A 1 31.780 51.620 19.395 1.00 0.00 H new ATOM 0 H2 MET A 1 33.159 52.503 18.947 1.00 0.00 H new ATOM 0 H3 MET A 1 33.284 50.841 19.269 1.00 0.00 H new ATOM 0 HA MET A 1 32.449 52.873 21.206 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.847 51.224 22.928 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.585 50.743 21.810 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.131 49.211 20.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.448 49.738 21.701 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.827 46.039 22.750 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.258 46.993 21.310 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.129 47.249 22.841 1.00 0.00 H new ATOM 20 N GLN A 2 34.828 53.231 22.158 1.00 0.00 N ATOM 21 CA GLN A 2 36.164 53.712 22.445 1.00 0.00 C ATOM 22 C GLN A 2 36.750 53.094 23.715 1.00 0.00 C ATOM 23 O GLN A 2 36.071 53.013 24.736 1.00 0.00 O ATOM 24 CB GLN A 2 36.126 55.235 22.532 1.00 0.00 C ATOM 25 CG GLN A 2 37.513 55.860 22.411 1.00 0.00 C ATOM 26 CD GLN A 2 37.433 57.348 22.759 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.175 58.203 21.914 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.576 57.684 24.037 1.00 0.00 N ATOM 0 H GLN A 2 34.120 53.594 22.796 1.00 0.00 H new ATOM 0 HA GLN A 2 36.826 53.405 21.636 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.485 55.625 21.742 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.679 55.531 23.481 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.211 55.356 23.080 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.894 55.732 21.398 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.790 56.968 24.732 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.472 58.657 24.323 1.00 0.00 H new ATOM 37 N ILE A 3 38.017 52.692 23.680 1.00 0.00 N ATOM 38 CA ILE A 3 38.721 52.052 24.775 1.00 0.00 C ATOM 39 C ILE A 3 40.071 52.715 25.050 1.00 0.00 C ATOM 40 O ILE A 3 40.485 53.611 24.316 1.00 0.00 O ATOM 41 CB ILE A 3 38.853 50.553 24.518 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.707 50.239 23.294 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.484 49.883 24.448 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.135 48.779 23.176 1.00 0.00 C ATOM 0 H ILE A 3 38.601 52.810 22.852 1.00 0.00 H new ATOM 0 HA ILE A 3 38.130 52.183 25.682 1.00 0.00 H new ATOM 0 HB ILE A 3 39.384 50.131 25.371 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.150 50.514 22.398 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.599 50.865 23.319 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.610 48.816 24.264 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.959 50.029 25.392 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.904 50.325 23.638 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.738 48.648 22.277 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.722 48.500 24.051 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.251 48.144 23.115 1.00 0.00 H new ATOM 56 N PHE A 4 40.774 52.275 26.091 1.00 0.00 N ATOM 57 CA PHE A 4 42.139 52.660 26.384 1.00 0.00 C ATOM 58 C PHE A 4 43.103 51.473 26.333 1.00 0.00 C ATOM 59 O PHE A 4 42.734 50.351 26.671 1.00 0.00 O ATOM 60 CB PHE A 4 42.226 53.349 27.743 1.00 0.00 C ATOM 61 CG PHE A 4 41.443 54.632 27.878 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.877 55.793 27.227 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.309 54.679 28.697 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.183 56.998 27.395 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.616 55.883 28.870 1.00 0.00 C ATOM 66 CZ PHE A 4 40.056 57.046 28.225 1.00 0.00 C ATOM 0 H PHE A 4 40.390 51.620 26.772 1.00 0.00 H new ATOM 0 HA PHE A 4 42.442 53.361 25.606 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.880 52.652 28.506 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.274 53.560 27.956 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.750 55.759 26.593 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.968 53.784 29.197 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.517 57.889 26.885 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.741 55.915 29.502 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.528 57.977 28.367 1.00 0.00 H new ATOM 76 N VAL A 5 44.353 51.732 25.960 1.00 0.00 N ATOM 77 CA VAL A 5 45.456 50.795 26.021 1.00 0.00 C ATOM 78 C VAL A 5 46.651 51.440 26.725 1.00 0.00 C ATOM 79 O VAL A 5 47.001 52.578 26.419 1.00 0.00 O ATOM 80 CB VAL A 5 45.861 50.277 24.643 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.829 49.103 24.766 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.679 49.822 23.792 1.00 0.00 C ATOM 0 H VAL A 5 44.630 52.642 25.592 1.00 0.00 H new ATOM 0 HA VAL A 5 45.119 49.932 26.594 1.00 0.00 H new ATOM 0 HB VAL A 5 46.334 51.125 24.147 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.103 48.751 23.771 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.725 49.424 25.297 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.351 48.294 25.318 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.041 49.467 22.827 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.153 49.015 24.302 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.998 50.659 23.638 1.00 0.00 H new ATOM 92 N LYS A 6 47.288 50.733 27.655 1.00 0.00 N ATOM 93 CA LYS A 6 48.416 51.176 28.449 1.00 0.00 C ATOM 94 C LYS A 6 49.647 50.298 28.218 1.00 0.00 C ATOM 95 O LYS A 6 49.576 49.084 28.399 1.00 0.00 O ATOM 96 CB LYS A 6 48.025 51.169 29.924 1.00 0.00 C ATOM 97 CG LYS A 6 47.848 52.583 30.470 1.00 0.00 C ATOM 98 CD LYS A 6 47.468 52.521 31.946 1.00 0.00 C ATOM 99 CE LYS A 6 47.527 53.879 32.641 1.00 0.00 C ATOM 100 NZ LYS A 6 46.609 54.857 32.039 1.00 0.00 N ATOM 0 H LYS A 6 47.009 49.779 27.883 1.00 0.00 H new ATOM 0 HA LYS A 6 48.679 52.188 28.143 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.097 50.611 30.051 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.791 50.650 30.501 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.771 53.149 30.346 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.075 53.106 29.907 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.460 52.117 32.038 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.137 51.829 32.458 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.281 53.755 33.696 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.546 54.264 32.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.610 55.729 32.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.919 55.074 31.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 45.648 54.461 32.014 1.00 0.00 H new ATOM 168 N LYS A 11 52.827 55.223 28.785 1.00 0.00 N ATOM 169 CA LYS A 11 52.018 55.860 27.765 1.00 0.00 C ATOM 170 C LYS A 11 50.636 55.211 27.681 1.00 0.00 C ATOM 171 O LYS A 11 50.508 53.990 27.737 1.00 0.00 O ATOM 172 CB LYS A 11 52.758 55.858 26.431 1.00 0.00 C ATOM 173 CG LYS A 11 52.077 56.708 25.361 1.00 0.00 C ATOM 174 CD LYS A 11 52.729 56.617 23.985 1.00 0.00 C ATOM 175 CE LYS A 11 54.079 57.322 23.900 1.00 0.00 C ATOM 176 NZ LYS A 11 54.653 57.213 22.550 1.00 0.00 N ATOM 0 HA LYS A 11 51.850 56.902 28.037 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.772 56.225 26.586 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.842 54.832 26.071 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.034 56.402 25.278 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.079 57.749 25.684 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.860 55.567 23.723 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.056 57.049 23.244 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.960 58.373 24.164 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.766 56.887 24.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.570 56.724 22.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.006 56.673 21.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.790 58.164 22.153 1.00 0.00 H new ATOM 190 N THR A 12 49.605 56.034 27.507 1.00 0.00 N ATOM 191 CA THR A 12 48.220 55.642 27.335 1.00 0.00 C ATOM 192 C THR A 12 47.731 56.044 25.942 1.00 0.00 C ATOM 193 O THR A 12 47.987 57.158 25.490 1.00 0.00 O ATOM 194 CB THR A 12 47.316 56.264 28.396 1.00 0.00 C ATOM 195 OG1 THR A 12 47.789 55.965 29.690 1.00 0.00 O ATOM 196 CG2 THR A 12 45.878 55.751 28.346 1.00 0.00 C ATOM 0 H THR A 12 49.727 57.046 27.482 1.00 0.00 H new ATOM 0 HA THR A 12 48.170 54.559 27.446 1.00 0.00 H new ATOM 0 HB THR A 12 47.331 57.333 28.183 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.522 56.677 30.308 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.292 56.235 29.127 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.444 55.979 27.373 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.871 54.672 28.503 1.00 0.00 H new ATOM 204 N ILE A 13 47.025 55.136 25.276 1.00 0.00 N ATOM 205 CA ILE A 13 46.575 55.208 23.901 1.00 0.00 C ATOM 206 C ILE A 13 45.049 55.098 23.870 1.00 0.00 C ATOM 207 O ILE A 13 44.480 54.256 24.563 1.00 0.00 O ATOM 208 CB ILE A 13 47.223 54.083 23.100 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.746 54.046 23.202 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.799 54.073 21.634 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.466 55.320 22.770 1.00 0.00 C ATOM 0 H ILE A 13 46.733 54.267 25.723 1.00 0.00 H new ATOM 0 HA ILE A 13 46.865 56.159 23.454 1.00 0.00 H new ATOM 0 HB ILE A 13 46.845 53.177 23.573 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.018 53.829 24.235 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.113 53.219 22.595 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.294 53.250 21.118 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.718 53.945 21.569 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.082 55.016 21.167 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.542 55.186 22.882 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.234 55.533 21.727 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.137 56.152 23.392 1.00 0.00 H new ATOM 223 N THR A 14 44.391 55.906 23.045 1.00 0.00 N ATOM 224 CA THR A 14 42.964 55.843 22.796 1.00 0.00 C ATOM 225 C THR A 14 42.707 55.046 21.516 1.00 0.00 C ATOM 226 O THR A 14 43.328 55.322 20.492 1.00 0.00 O ATOM 227 CB THR A 14 42.366 57.242 22.695 1.00 0.00 C ATOM 228 OG1 THR A 14 42.724 58.040 23.802 1.00 0.00 O ATOM 229 CG2 THR A 14 40.839 57.213 22.679 1.00 0.00 C ATOM 0 H THR A 14 44.856 56.645 22.517 1.00 0.00 H new ATOM 0 HA THR A 14 42.479 55.340 23.633 1.00 0.00 H new ATOM 0 HB THR A 14 42.758 57.653 21.764 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.326 58.930 23.706 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.456 58.231 22.606 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.495 56.634 21.822 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.474 56.753 23.597 1.00 0.00 H new ATOM 237 N LEU A 15 41.807 54.067 21.549 1.00 0.00 N ATOM 238 CA LEU A 15 41.514 53.191 20.433 1.00 0.00 C ATOM 239 C LEU A 15 40.012 53.094 20.158 1.00 0.00 C ATOM 240 O LEU A 15 39.220 53.131 21.097 1.00 0.00 O ATOM 241 CB LEU A 15 42.118 51.818 20.718 1.00 0.00 C ATOM 242 CG LEU A 15 42.711 51.118 19.499 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.059 51.722 19.113 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.943 49.644 19.814 1.00 0.00 C ATOM 0 H LEU A 15 41.250 53.861 22.378 1.00 0.00 H new ATOM 0 HA LEU A 15 41.960 53.607 19.530 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.897 51.928 21.472 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.347 51.179 21.148 1.00 0.00 H new ATOM 0 HG LEU A 15 42.005 51.240 18.677 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.455 51.201 18.241 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.930 52.778 18.877 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.756 51.618 19.945 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.367 49.148 18.941 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.634 49.555 20.652 1.00 0.00 H new ATOM 0 HD23 LEU A 15 41.995 49.174 20.074 1.00 0.00 H new ATOM 256 N GLU A 16 39.619 52.916 18.900 1.00 0.00 N ATOM 257 CA GLU A 16 38.240 52.774 18.479 1.00 0.00 C ATOM 258 C GLU A 16 38.010 51.392 17.865 1.00 0.00 C ATOM 259 O GLU A 16 38.655 51.007 16.892 1.00 0.00 O ATOM 260 CB GLU A 16 37.891 53.912 17.524 1.00 0.00 C ATOM 261 CG GLU A 16 36.455 53.895 17.008 1.00 0.00 C ATOM 262 CD GLU A 16 35.396 54.276 18.045 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.316 53.648 18.057 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.586 55.292 18.749 1.00 0.00 O ATOM 0 H GLU A 16 40.279 52.866 18.124 1.00 0.00 H new ATOM 0 HA GLU A 16 37.572 52.844 19.338 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.069 54.861 18.031 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.569 53.873 16.672 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.379 54.580 16.163 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.231 52.897 16.630 1.00 0.00 H new ATOM 271 N VAL A 17 37.098 50.628 18.458 1.00 0.00 N ATOM 272 CA VAL A 17 36.858 49.219 18.220 1.00 0.00 C ATOM 273 C VAL A 17 35.366 48.887 18.263 1.00 0.00 C ATOM 274 O VAL A 17 34.558 49.686 18.731 1.00 0.00 O ATOM 275 CB VAL A 17 37.615 48.357 19.226 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.130 48.493 19.103 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.214 48.657 20.667 1.00 0.00 C ATOM 0 H VAL A 17 36.468 51.008 19.164 1.00 0.00 H new ATOM 0 HA VAL A 17 37.227 48.995 17.219 1.00 0.00 H new ATOM 0 HB VAL A 17 37.334 47.333 18.980 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.614 47.857 19.844 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.443 48.189 18.104 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.417 49.531 19.273 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.781 48.017 21.343 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.425 49.702 20.893 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.149 48.466 20.795 1.00 0.00 H new ATOM 287 N GLU A 18 34.984 47.693 17.820 1.00 0.00 N ATOM 288 CA GLU A 18 33.652 47.148 17.985 1.00 0.00 C ATOM 289 C GLU A 18 33.667 45.825 18.753 1.00 0.00 C ATOM 290 O GLU A 18 34.692 45.146 18.758 1.00 0.00 O ATOM 291 CB GLU A 18 32.967 47.017 16.627 1.00 0.00 C ATOM 292 CG GLU A 18 32.625 48.357 15.983 1.00 0.00 C ATOM 293 CD GLU A 18 31.684 49.213 16.833 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.944 50.421 17.022 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.657 48.696 17.324 1.00 0.00 O ATOM 0 H GLU A 18 35.615 47.065 17.323 1.00 0.00 H new ATOM 0 HA GLU A 18 33.071 47.843 18.591 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.616 46.456 15.955 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.052 46.436 16.746 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.546 48.911 15.802 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.165 48.179 15.011 1.00 0.00 H new ATOM 302 N PRO A 19 32.579 45.415 19.399 1.00 0.00 N ATOM 303 CA PRO A 19 32.517 44.187 20.164 1.00 0.00 C ATOM 304 C PRO A 19 32.849 42.899 19.406 1.00 0.00 C ATOM 305 O PRO A 19 33.245 41.907 20.013 1.00 0.00 O ATOM 306 CB PRO A 19 31.096 44.116 20.715 1.00 0.00 C ATOM 307 CG PRO A 19 30.667 45.577 20.812 1.00 0.00 C ATOM 308 CD PRO A 19 31.370 46.186 19.602 1.00 0.00 C ATOM 0 HA PRO A 19 33.292 44.233 20.929 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.439 43.550 20.055 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.069 43.626 21.688 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.584 45.690 20.757 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.988 46.037 21.747 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.731 46.145 18.720 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.604 47.236 19.777 1.00 0.00 H new ATOM 316 N SER A 20 32.694 42.906 18.085 1.00 0.00 N ATOM 317 CA SER A 20 33.068 41.836 17.182 1.00 0.00 C ATOM 318 C SER A 20 34.534 41.842 16.746 1.00 0.00 C ATOM 319 O SER A 20 34.944 40.909 16.059 1.00 0.00 O ATOM 320 CB SER A 20 32.175 41.880 15.946 1.00 0.00 C ATOM 321 OG SER A 20 32.235 43.153 15.342 1.00 0.00 O ATOM 0 H SER A 20 32.283 43.701 17.596 1.00 0.00 H new ATOM 0 HA SER A 20 32.930 40.914 17.747 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.491 41.117 15.234 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.146 41.650 16.224 1.00 0.00 H new ATOM 0 HG SER A 20 31.659 43.167 14.549 1.00 0.00 H new ATOM 327 N ASP A 21 35.339 42.839 17.104 1.00 0.00 N ATOM 328 CA ASP A 21 36.728 42.907 16.695 1.00 0.00 C ATOM 329 C ASP A 21 37.540 41.764 17.306 1.00 0.00 C ATOM 330 O ASP A 21 37.312 41.366 18.447 1.00 0.00 O ATOM 331 CB ASP A 21 37.364 44.256 17.017 1.00 0.00 C ATOM 332 CG ASP A 21 36.914 45.415 16.127 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.182 45.205 15.136 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.333 46.571 16.357 1.00 0.00 O ATOM 0 H ASP A 21 35.040 43.621 17.687 1.00 0.00 H new ATOM 0 HA ASP A 21 36.741 42.798 15.611 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.141 44.507 18.054 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.447 44.158 16.939 1.00 0.00 H new ATOM 339 N THR A 22 38.499 41.237 16.552 1.00 0.00 N ATOM 340 CA THR A 22 39.418 40.204 16.988 1.00 0.00 C ATOM 341 C THR A 22 40.757 40.786 17.447 1.00 0.00 C ATOM 342 O THR A 22 41.123 41.903 17.090 1.00 0.00 O ATOM 343 CB THR A 22 39.562 39.114 15.930 1.00 0.00 C ATOM 344 OG1 THR A 22 40.403 38.082 16.393 1.00 0.00 O ATOM 345 CG2 THR A 22 40.115 39.585 14.588 1.00 0.00 C ATOM 0 H THR A 22 38.659 41.531 15.588 1.00 0.00 H new ATOM 0 HA THR A 22 38.992 39.724 17.869 1.00 0.00 H new ATOM 0 HB THR A 22 38.541 38.771 15.762 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.483 37.391 15.703 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.180 38.739 13.904 1.00 0.00 H new ATOM 0 HG22 THR A 22 39.453 40.342 14.167 1.00 0.00 H new ATOM 0 HG23 THR A 22 41.108 40.011 14.733 1.00 0.00 H new ATOM 353 N ILE A 23 41.523 40.023 18.221 1.00 0.00 N ATOM 354 CA ILE A 23 42.771 40.469 18.806 1.00 0.00 C ATOM 355 C ILE A 23 43.807 40.837 17.741 1.00 0.00 C ATOM 356 O ILE A 23 44.516 41.826 17.916 1.00 0.00 O ATOM 357 CB ILE A 23 43.290 39.431 19.795 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.259 39.013 20.840 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.566 39.893 20.494 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.617 40.156 21.622 1.00 0.00 C ATOM 0 H ILE A 23 41.284 39.061 18.460 1.00 0.00 H new ATOM 0 HA ILE A 23 42.580 41.388 19.360 1.00 0.00 H new ATOM 0 HB ILE A 23 43.512 38.555 19.185 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.471 38.449 20.342 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.738 38.336 21.547 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.900 39.122 21.189 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.343 40.073 19.751 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.368 40.814 21.042 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.901 39.751 22.337 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.389 40.710 22.156 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.102 40.825 20.932 1.00 0.00 H new ATOM 372 N GLU A 24 43.839 40.153 16.601 1.00 0.00 N ATOM 373 CA GLU A 24 44.727 40.488 15.507 1.00 0.00 C ATOM 374 C GLU A 24 44.413 41.845 14.874 1.00 0.00 C ATOM 375 O GLU A 24 45.323 42.548 14.443 1.00 0.00 O ATOM 376 CB GLU A 24 44.806 39.358 14.483 1.00 0.00 C ATOM 377 CG GLU A 24 43.487 38.927 13.851 1.00 0.00 C ATOM 378 CD GLU A 24 43.705 37.838 12.799 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.383 38.075 11.614 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.185 36.738 13.148 1.00 0.00 O ATOM 0 H GLU A 24 43.243 39.346 16.415 1.00 0.00 H new ATOM 0 HA GLU A 24 45.724 40.598 15.935 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.483 39.665 13.686 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.254 38.490 14.965 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.814 38.559 14.625 1.00 0.00 H new ATOM 0 HG3 GLU A 24 43.003 39.788 13.391 1.00 0.00 H new ATOM 387 N ASN A 25 43.157 42.281 14.923 1.00 0.00 N ATOM 388 CA ASN A 25 42.758 43.604 14.488 1.00 0.00 C ATOM 389 C ASN A 25 43.109 44.692 15.506 1.00 0.00 C ATOM 390 O ASN A 25 43.564 45.761 15.108 1.00 0.00 O ATOM 391 CB ASN A 25 41.269 43.606 14.156 1.00 0.00 C ATOM 392 CG ASN A 25 40.838 44.927 13.517 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.115 45.726 14.108 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.259 45.195 12.283 1.00 0.00 N ATOM 0 H ASN A 25 42.384 41.714 15.271 1.00 0.00 H new ATOM 0 HA ASN A 25 43.325 43.846 13.589 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.046 42.783 13.478 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.692 43.435 15.065 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.982 46.064 11.827 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.859 44.531 11.793 1.00 0.00 H new ATOM 401 N VAL A 26 42.988 44.416 16.802 1.00 0.00 N ATOM 402 CA VAL A 26 43.428 45.336 17.831 1.00 0.00 C ATOM 403 C VAL A 26 44.945 45.532 17.782 1.00 0.00 C ATOM 404 O VAL A 26 45.400 46.673 17.808 1.00 0.00 O ATOM 405 CB VAL A 26 42.942 44.908 19.213 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.493 45.784 20.336 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.420 45.008 19.268 1.00 0.00 C ATOM 0 H VAL A 26 42.583 43.551 17.161 1.00 0.00 H new ATOM 0 HA VAL A 26 42.973 46.306 17.630 1.00 0.00 H new ATOM 0 HB VAL A 26 43.295 43.887 19.362 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.112 45.430 21.294 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.582 45.732 20.337 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.179 46.816 20.180 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.071 44.703 20.254 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.116 46.037 19.078 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.985 44.355 18.511 1.00 0.00 H new ATOM 417 N LYS A 27 45.716 44.466 17.589 1.00 0.00 N ATOM 418 CA LYS A 27 47.144 44.549 17.359 1.00 0.00 C ATOM 419 C LYS A 27 47.483 45.420 16.148 1.00 0.00 C ATOM 420 O LYS A 27 48.361 46.275 16.247 1.00 0.00 O ATOM 421 CB LYS A 27 47.729 43.151 17.183 1.00 0.00 C ATOM 422 CG LYS A 27 47.777 42.324 18.465 1.00 0.00 C ATOM 423 CD LYS A 27 48.049 40.861 18.125 1.00 0.00 C ATOM 424 CE LYS A 27 48.258 40.024 19.384 1.00 0.00 C ATOM 425 NZ LYS A 27 48.259 38.590 19.062 1.00 0.00 N ATOM 0 H LYS A 27 45.357 43.511 17.589 1.00 0.00 H new ATOM 0 HA LYS A 27 47.589 45.022 18.234 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.139 42.614 16.440 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.739 43.240 16.784 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.556 42.705 19.125 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.833 42.413 19.002 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.213 40.458 17.553 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.932 40.792 17.490 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.203 40.296 19.855 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.469 40.239 20.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.130 38.038 19.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.483 38.382 18.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.166 38.334 18.622 1.00 0.00 H new ATOM 439 N ALA A 28 46.769 45.249 15.038 1.00 0.00 N ATOM 440 CA ALA A 28 46.938 46.050 13.842 1.00 0.00 C ATOM 441 C ALA A 28 46.558 47.519 14.042 1.00 0.00 C ATOM 442 O ALA A 28 47.290 48.402 13.603 1.00 0.00 O ATOM 443 CB ALA A 28 46.148 45.397 12.713 1.00 0.00 C ATOM 0 H ALA A 28 46.045 44.536 14.949 1.00 0.00 H new ATOM 0 HA ALA A 28 47.997 46.075 13.584 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.262 45.985 11.802 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.523 44.388 12.543 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.094 45.351 12.986 1.00 0.00 H new ATOM 449 N LYS A 29 45.487 47.813 14.774 1.00 0.00 N ATOM 450 CA LYS A 29 45.068 49.157 15.120 1.00 0.00 C ATOM 451 C LYS A 29 46.107 49.875 15.983 1.00 0.00 C ATOM 452 O LYS A 29 46.350 51.063 15.786 1.00 0.00 O ATOM 453 CB LYS A 29 43.705 49.118 15.805 1.00 0.00 C ATOM 454 CG LYS A 29 42.542 48.942 14.832 1.00 0.00 C ATOM 455 CD LYS A 29 41.201 48.840 15.553 1.00 0.00 C ATOM 456 CE LYS A 29 40.071 48.805 14.529 1.00 0.00 C ATOM 457 NZ LYS A 29 38.743 48.705 15.155 1.00 0.00 N ATOM 0 H LYS A 29 44.870 47.094 15.153 1.00 0.00 H new ATOM 0 HA LYS A 29 44.979 49.732 14.198 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.692 48.301 16.526 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.562 50.041 16.367 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.518 49.784 14.140 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.702 48.044 14.235 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.175 47.941 16.169 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.072 49.690 16.224 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.113 49.706 13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.218 47.957 13.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.010 48.719 14.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.678 47.816 15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.601 49.509 15.799 1.00 0.00 H new ATOM 471 N ILE A 30 46.748 49.164 16.906 1.00 0.00 N ATOM 472 CA ILE A 30 47.839 49.669 17.716 1.00 0.00 C ATOM 473 C ILE A 30 49.094 49.897 16.873 1.00 0.00 C ATOM 474 O ILE A 30 49.749 50.925 17.030 1.00 0.00 O ATOM 475 CB ILE A 30 48.070 48.734 18.900 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.883 48.796 19.857 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.366 49.061 19.637 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.838 47.641 20.854 1.00 0.00 C ATOM 0 H ILE A 30 46.512 48.193 17.113 1.00 0.00 H new ATOM 0 HA ILE A 30 47.575 50.647 18.119 1.00 0.00 H new ATOM 0 HB ILE A 30 48.164 47.721 18.510 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.919 49.737 20.406 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.960 48.800 19.277 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.493 48.373 20.473 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.209 48.961 18.953 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.323 50.083 20.012 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.968 47.752 21.501 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.770 46.697 20.314 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.744 47.648 21.460 1.00 0.00 H new ATOM 490 N GLN A 31 49.413 49.011 15.932 1.00 0.00 N ATOM 491 CA GLN A 31 50.494 49.220 14.991 1.00 0.00 C ATOM 492 C GLN A 31 50.279 50.481 14.153 1.00 0.00 C ATOM 493 O GLN A 31 51.211 51.264 13.984 1.00 0.00 O ATOM 494 CB GLN A 31 50.675 48.000 14.093 1.00 0.00 C ATOM 495 CG GLN A 31 51.962 48.111 13.281 1.00 0.00 C ATOM 496 CD GLN A 31 52.163 46.973 12.277 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.234 46.358 11.759 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.411 46.660 11.939 1.00 0.00 N ATOM 0 H GLN A 31 48.922 48.126 15.806 1.00 0.00 H new ATOM 0 HA GLN A 31 51.407 49.362 15.569 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.700 47.096 14.701 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.822 47.908 13.420 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.960 49.060 12.744 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.811 48.133 13.965 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.194 47.161 12.359 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.585 45.920 11.259 1.00 0.00 H new ATOM 507 N ASP A 32 49.064 50.728 13.672 1.00 0.00 N ATOM 508 CA ASP A 32 48.753 51.892 12.868 1.00 0.00 C ATOM 509 C ASP A 32 49.024 53.219 13.580 1.00 0.00 C ATOM 510 O ASP A 32 49.602 54.112 12.965 1.00 0.00 O ATOM 511 CB ASP A 32 47.304 51.793 12.398 1.00 0.00 C ATOM 512 CG ASP A 32 46.968 52.894 11.390 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.399 53.929 11.798 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.264 52.715 10.189 1.00 0.00 O ATOM 0 H ASP A 32 48.264 50.116 13.834 1.00 0.00 H new ATOM 0 HA ASP A 32 49.425 51.893 12.009 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.133 50.817 11.944 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.636 51.867 13.256 1.00 0.00 H new ATOM 519 N LYS A 33 48.672 53.342 14.856 1.00 0.00 N ATOM 520 CA LYS A 33 48.847 54.558 15.625 1.00 0.00 C ATOM 521 C LYS A 33 50.212 54.707 16.301 1.00 0.00 C ATOM 522 O LYS A 33 50.696 55.832 16.414 1.00 0.00 O ATOM 523 CB LYS A 33 47.722 54.737 16.639 1.00 0.00 C ATOM 524 CG LYS A 33 46.375 54.988 15.967 1.00 0.00 C ATOM 525 CD LYS A 33 45.214 55.229 16.929 1.00 0.00 C ATOM 526 CE LYS A 33 45.328 56.552 17.682 1.00 0.00 C ATOM 527 NZ LYS A 33 44.055 56.906 18.329 1.00 0.00 N ATOM 0 H LYS A 33 48.250 52.582 15.390 1.00 0.00 H new ATOM 0 HA LYS A 33 48.804 55.358 14.886 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.654 53.847 17.264 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.959 55.572 17.298 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.469 55.852 15.309 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.134 54.132 15.337 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.278 55.215 16.371 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.169 54.411 17.648 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.114 56.479 18.434 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.620 57.343 16.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.136 57.848 18.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.295 56.915 17.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.833 56.205 19.065 1.00 0.00 H new ATOM 541 N GLU A 34 50.845 53.629 16.752 1.00 0.00 N ATOM 542 CA GLU A 34 52.039 53.673 17.572 1.00 0.00 C ATOM 543 C GLU A 34 53.234 52.884 17.036 1.00 0.00 C ATOM 544 O GLU A 34 54.344 53.062 17.534 1.00 0.00 O ATOM 545 CB GLU A 34 51.696 53.218 18.987 1.00 0.00 C ATOM 546 CG GLU A 34 50.839 54.221 19.756 1.00 0.00 C ATOM 547 CD GLU A 34 51.547 55.552 20.010 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.724 55.543 20.433 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.935 56.622 19.804 1.00 0.00 O ATOM 0 H GLU A 34 50.530 52.680 16.550 1.00 0.00 H new ATOM 0 HA GLU A 34 52.368 54.712 17.558 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.169 52.265 18.937 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.620 53.043 19.538 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.921 54.406 19.199 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.549 53.783 20.711 1.00 0.00 H new ATOM 556 N GLY A 35 53.056 52.050 16.016 1.00 0.00 N ATOM 557 CA GLY A 35 54.137 51.389 15.310 1.00 0.00 C ATOM 558 C GLY A 35 54.653 50.093 15.939 1.00 0.00 C ATOM 559 O GLY A 35 55.662 49.563 15.479 1.00 0.00 O ATOM 0 H GLY A 35 52.133 51.813 15.653 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.802 51.170 14.296 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.970 52.086 15.227 1.00 0.00 H new ATOM 563 N ILE A 36 53.978 49.553 16.949 1.00 0.00 N ATOM 564 CA ILE A 36 54.394 48.356 17.653 1.00 0.00 C ATOM 565 C ILE A 36 54.031 47.132 16.812 1.00 0.00 C ATOM 566 O ILE A 36 52.844 46.948 16.549 1.00 0.00 O ATOM 567 CB ILE A 36 53.773 48.289 19.046 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.951 49.583 19.835 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.408 47.126 19.803 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.232 49.620 21.182 1.00 0.00 C ATOM 0 H ILE A 36 53.108 49.948 17.305 1.00 0.00 H new ATOM 0 HA ILE A 36 55.474 48.378 17.796 1.00 0.00 H new ATOM 0 HB ILE A 36 52.699 48.141 18.931 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.016 49.745 20.004 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.595 50.414 19.227 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.976 47.063 20.802 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.219 46.196 19.266 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.483 47.287 19.882 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.418 50.578 21.667 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.161 49.494 21.026 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.604 48.814 21.815 1.00 0.00 H new ATOM 582 N PRO A 37 54.956 46.278 16.383 1.00 0.00 N ATOM 583 CA PRO A 37 54.645 45.204 15.461 1.00 0.00 C ATOM 584 C PRO A 37 53.720 44.144 16.064 1.00 0.00 C ATOM 585 O PRO A 37 53.932 43.749 17.209 1.00 0.00 O ATOM 586 CB PRO A 37 55.976 44.598 15.027 1.00 0.00 C ATOM 587 CG PRO A 37 56.985 45.705 15.317 1.00 0.00 C ATOM 588 CD PRO A 37 56.391 46.359 16.562 1.00 0.00 C ATOM 0 HA PRO A 37 54.094 45.602 14.609 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.205 43.691 15.586 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.969 44.329 13.971 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.983 45.309 15.502 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.069 46.408 14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.705 45.840 17.468 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.718 47.394 16.658 1.00 0.00 H new ATOM 596 N PRO A 38 52.721 43.640 15.346 1.00 0.00 N ATOM 597 CA PRO A 38 51.687 42.786 15.896 1.00 0.00 C ATOM 598 C PRO A 38 52.200 41.451 16.441 1.00 0.00 C ATOM 599 O PRO A 38 51.627 40.912 17.385 1.00 0.00 O ATOM 600 CB PRO A 38 50.682 42.580 14.767 1.00 0.00 C ATOM 601 CG PRO A 38 51.500 42.798 13.496 1.00 0.00 C ATOM 602 CD PRO A 38 52.446 43.907 13.949 1.00 0.00 C ATOM 0 HA PRO A 38 51.242 43.264 16.769 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.249 41.580 14.796 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.855 43.287 14.835 1.00 0.00 H new ATOM 0 HG2 PRO A 38 52.035 41.899 13.190 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.880 43.103 12.653 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.364 43.903 13.361 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.989 44.888 13.820 1.00 0.00 H new ATOM 610 N ASP A 39 53.288 40.920 15.889 1.00 0.00 N ATOM 611 CA ASP A 39 53.972 39.734 16.366 1.00 0.00 C ATOM 612 C ASP A 39 54.867 39.973 17.583 1.00 0.00 C ATOM 613 O ASP A 39 55.260 39.008 18.236 1.00 0.00 O ATOM 614 CB ASP A 39 54.747 39.101 15.215 1.00 0.00 C ATOM 615 CG ASP A 39 55.725 40.059 14.533 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.247 41.019 13.890 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.948 39.799 14.529 1.00 0.00 O ATOM 0 H ASP A 39 53.730 41.325 15.064 1.00 0.00 H new ATOM 0 HA ASP A 39 53.206 39.045 16.721 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.299 38.239 15.590 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.040 38.729 14.474 1.00 0.00 H new ATOM 622 N GLN A 40 55.168 41.221 17.930 1.00 0.00 N ATOM 623 CA GLN A 40 55.924 41.600 19.106 1.00 0.00 C ATOM 624 C GLN A 40 55.035 42.065 20.260 1.00 0.00 C ATOM 625 O GLN A 40 55.514 42.195 21.386 1.00 0.00 O ATOM 626 CB GLN A 40 56.952 42.666 18.735 1.00 0.00 C ATOM 627 CG GLN A 40 57.974 42.193 17.704 1.00 0.00 C ATOM 628 CD GLN A 40 58.948 43.294 17.280 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.164 44.291 17.967 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.560 43.171 16.105 1.00 0.00 N ATOM 0 H GLN A 40 54.877 42.024 17.373 1.00 0.00 H new ATOM 0 HA GLN A 40 56.440 40.710 19.467 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.432 43.541 18.345 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.477 42.983 19.636 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.537 41.356 18.116 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.449 41.821 16.824 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.390 42.349 15.525 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.199 43.898 15.784 1.00 0.00 H new ATOM 639 N GLN A 41 53.747 42.274 20.010 1.00 0.00 N ATOM 640 CA GLN A 41 52.752 42.598 21.013 1.00 0.00 C ATOM 641 C GLN A 41 52.277 41.368 21.788 1.00 0.00 C ATOM 642 O GLN A 41 52.054 40.301 21.221 1.00 0.00 O ATOM 643 CB GLN A 41 51.543 43.275 20.376 1.00 0.00 C ATOM 644 CG GLN A 41 51.808 44.677 19.834 1.00 0.00 C ATOM 645 CD GLN A 41 50.554 45.291 19.206 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.462 45.233 19.766 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.635 45.893 18.024 1.00 0.00 N ATOM 0 H GLN A 41 53.358 42.219 19.069 1.00 0.00 H new ATOM 0 HA GLN A 41 53.237 43.277 21.714 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.180 42.648 19.561 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.744 43.331 21.115 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.161 45.318 20.642 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.603 44.635 19.090 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.532 45.952 17.542 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.800 46.296 17.599 1.00 0.00 H new ATOM 656 N ARG A 42 52.003 41.559 23.076 1.00 0.00 N ATOM 657 CA ARG A 42 51.110 40.756 23.886 1.00 0.00 C ATOM 658 C ARG A 42 50.095 41.676 24.568 1.00 0.00 C ATOM 659 O ARG A 42 50.471 42.737 25.060 1.00 0.00 O ATOM 660 CB ARG A 42 51.896 39.939 24.908 1.00 0.00 C ATOM 661 CG ARG A 42 52.650 38.772 24.276 1.00 0.00 C ATOM 662 CD ARG A 42 53.576 38.069 25.265 1.00 0.00 C ATOM 663 NE ARG A 42 52.849 37.489 26.394 1.00 0.00 N ATOM 664 CZ ARG A 42 52.759 37.972 27.640 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.463 39.033 28.058 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.920 37.402 28.517 1.00 0.00 N ATOM 0 H ARG A 42 52.425 42.322 23.606 1.00 0.00 H new ATOM 0 HA ARG A 42 50.576 40.048 23.252 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.605 40.590 25.419 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.211 39.556 25.665 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.933 38.053 23.880 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.235 39.136 23.432 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.126 37.283 24.748 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.313 38.781 25.638 1.00 0.00 H new ATOM 0 HE ARG A 42 52.354 36.616 26.211 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.099 39.507 27.417 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.362 39.366 29.017 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.353 36.603 28.235 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.849 37.768 29.467 1.00 0.00 H new ATOM 680 N LEU A 43 48.821 41.291 24.581 1.00 0.00 N ATOM 681 CA LEU A 43 47.720 42.090 25.079 1.00 0.00 C ATOM 682 C LEU A 43 47.000 41.373 26.223 1.00 0.00 C ATOM 683 O LEU A 43 46.647 40.202 26.101 1.00 0.00 O ATOM 684 CB LEU A 43 46.768 42.424 23.933 1.00 0.00 C ATOM 685 CG LEU A 43 47.378 43.205 22.773 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.333 43.424 21.684 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.899 44.578 23.188 1.00 0.00 C ATOM 0 H LEU A 43 48.523 40.380 24.231 1.00 0.00 H new ATOM 0 HA LEU A 43 48.109 43.024 25.483 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.357 41.493 23.544 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.933 42.998 24.334 1.00 0.00 H new ATOM 0 HG LEU A 43 48.216 42.606 22.415 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.778 43.982 20.860 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.980 42.459 21.320 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.494 43.987 22.093 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.321 45.085 22.320 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.079 45.172 23.592 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.670 44.460 23.949 1.00 0.00 H new ATOM 699 N ILE A 44 46.796 42.079 27.331 1.00 0.00 N ATOM 700 CA ILE A 44 46.305 41.558 28.591 1.00 0.00 C ATOM 701 C ILE A 44 45.108 42.377 29.080 1.00 0.00 C ATOM 702 O ILE A 44 45.193 43.600 29.168 1.00 0.00 O ATOM 703 CB ILE A 44 47.420 41.526 29.631 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.643 40.758 29.138 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.937 40.953 30.960 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.818 40.738 30.110 1.00 0.00 C ATOM 0 H ILE A 44 46.980 43.081 27.370 1.00 0.00 H new ATOM 0 HA ILE A 44 45.967 40.533 28.436 1.00 0.00 H new ATOM 0 HB ILE A 44 47.717 42.562 29.793 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.348 39.731 28.925 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.975 41.196 28.197 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.760 40.947 31.674 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.125 41.568 31.348 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.580 39.934 30.809 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.640 40.170 29.675 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.146 41.759 30.306 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.509 40.271 31.045 1.00 0.00 H new ATOM 718 N PHE A 45 44.011 41.721 29.444 1.00 0.00 N ATOM 719 CA PHE A 45 42.836 42.335 30.030 1.00 0.00 C ATOM 720 C PHE A 45 42.425 41.614 31.316 1.00 0.00 C ATOM 721 O PHE A 45 42.285 40.393 31.314 1.00 0.00 O ATOM 722 CB PHE A 45 41.691 42.329 29.021 1.00 0.00 C ATOM 723 CG PHE A 45 40.482 43.141 29.420 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.618 44.515 29.653 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.222 42.542 29.535 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.505 45.277 30.026 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.104 43.303 29.899 1.00 0.00 C ATOM 728 CZ PHE A 45 38.247 44.673 30.149 1.00 0.00 C ATOM 0 H PHE A 45 43.918 40.711 29.333 1.00 0.00 H new ATOM 0 HA PHE A 45 43.075 43.367 30.289 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.064 42.706 28.069 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.379 41.298 28.855 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.583 44.987 29.545 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.111 41.485 29.342 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.616 46.334 30.220 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.135 42.835 29.987 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.389 45.263 30.436 1.00 0.00 H new ATOM 738 N ALA A 46 42.234 42.345 32.410 1.00 0.00 N ATOM 739 CA ALA A 46 41.942 41.796 33.719 1.00 0.00 C ATOM 740 C ALA A 46 42.880 40.654 34.118 1.00 0.00 C ATOM 741 O ALA A 46 42.453 39.594 34.569 1.00 0.00 O ATOM 742 CB ALA A 46 40.453 41.468 33.800 1.00 0.00 C ATOM 0 H ALA A 46 42.281 43.364 32.404 1.00 0.00 H new ATOM 0 HA ALA A 46 42.150 42.548 34.480 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.224 41.054 34.782 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.871 42.377 33.645 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.199 40.739 33.031 1.00 0.00 H new ATOM 748 N GLY A 47 44.172 40.845 33.872 1.00 0.00 N ATOM 749 CA GLY A 47 45.235 39.891 34.111 1.00 0.00 C ATOM 750 C GLY A 47 45.295 38.659 33.205 1.00 0.00 C ATOM 751 O GLY A 47 46.200 37.846 33.382 1.00 0.00 O ATOM 0 H GLY A 47 44.518 41.720 33.479 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.185 40.418 34.026 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.153 39.547 35.142 1.00 0.00 H new ATOM 755 N LYS A 48 44.383 38.509 32.248 1.00 0.00 N ATOM 756 CA LYS A 48 44.338 37.419 31.294 1.00 0.00 C ATOM 757 C LYS A 48 44.991 37.834 29.974 1.00 0.00 C ATOM 758 O LYS A 48 44.652 38.905 29.476 1.00 0.00 O ATOM 759 CB LYS A 48 42.885 37.050 31.004 1.00 0.00 C ATOM 760 CG LYS A 48 41.991 36.650 32.174 1.00 0.00 C ATOM 761 CD LYS A 48 42.238 35.239 32.697 1.00 0.00 C ATOM 762 CE LYS A 48 41.179 34.831 33.718 1.00 0.00 C ATOM 763 NZ LYS A 48 39.842 34.702 33.118 1.00 0.00 N ATOM 0 H LYS A 48 43.624 39.177 32.116 1.00 0.00 H new ATOM 0 HA LYS A 48 44.873 36.571 31.722 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.419 37.900 30.506 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.888 36.225 30.291 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.140 37.358 32.989 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.949 36.734 31.865 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.234 34.535 31.865 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.226 35.186 33.154 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.463 33.882 34.173 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.145 35.571 34.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.231 34.144 33.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.429 35.647 32.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.919 34.224 32.198 1.00 0.00 H new ATOM 777 N GLN A 49 45.844 37.010 29.373 1.00 0.00 N ATOM 778 CA GLN A 49 46.354 37.276 28.043 1.00 0.00 C ATOM 779 C GLN A 49 45.361 36.868 26.954 1.00 0.00 C ATOM 780 O GLN A 49 44.641 35.881 27.090 1.00 0.00 O ATOM 781 CB GLN A 49 47.772 36.747 27.844 1.00 0.00 C ATOM 782 CG GLN A 49 47.943 35.236 27.980 1.00 0.00 C ATOM 783 CD GLN A 49 49.325 34.743 27.545 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.259 35.505 27.302 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.520 33.434 27.410 1.00 0.00 N ATOM 0 H GLN A 49 46.195 36.149 29.793 1.00 0.00 H new ATOM 0 HA GLN A 49 46.452 38.357 27.941 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.115 37.045 26.853 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.426 37.234 28.567 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.773 34.950 29.018 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.181 34.736 27.382 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.760 32.782 27.606 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.429 33.082 27.111 1.00 0.00 H new ATOM 794 N LEU A 50 45.273 37.653 25.884 1.00 0.00 N ATOM 795 CA LEU A 50 44.224 37.549 24.890 1.00 0.00 C ATOM 796 C LEU A 50 44.668 36.829 23.615 1.00 0.00 C ATOM 797 O LEU A 50 45.695 37.164 23.028 1.00 0.00 O ATOM 798 CB LEU A 50 43.669 38.935 24.575 1.00 0.00 C ATOM 799 CG LEU A 50 43.164 39.746 25.765 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.531 41.031 25.238 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.114 39.002 26.585 1.00 0.00 C ATOM 0 H LEU A 50 45.946 38.393 25.685 1.00 0.00 H new ATOM 0 HA LEU A 50 43.435 36.931 25.319 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.448 39.510 24.075 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.850 38.823 23.865 1.00 0.00 H new ATOM 0 HG LEU A 50 44.017 39.942 26.415 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.163 41.625 26.075 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.276 41.604 24.686 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.701 40.783 24.577 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.792 39.628 27.418 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.257 38.769 25.953 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.542 38.077 26.971 1.00 0.00 H new ATOM 813 N GLU A 51 43.860 35.879 23.155 1.00 0.00 N ATOM 814 CA GLU A 51 44.124 34.989 22.042 1.00 0.00 C ATOM 815 C GLU A 51 43.224 35.276 20.838 1.00 0.00 C ATOM 816 O GLU A 51 42.014 35.449 20.963 1.00 0.00 O ATOM 817 CB GLU A 51 43.993 33.553 22.538 1.00 0.00 C ATOM 818 CG GLU A 51 44.399 32.508 21.502 1.00 0.00 C ATOM 819 CD GLU A 51 44.396 31.085 22.067 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.656 30.786 23.029 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.099 30.219 21.502 1.00 0.00 O ATOM 0 H GLU A 51 42.949 35.704 23.579 1.00 0.00 H new ATOM 0 HA GLU A 51 45.138 35.155 21.679 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.609 33.428 23.429 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.960 33.374 22.837 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.717 32.559 20.653 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.394 32.743 21.125 1.00 0.00 H new ATOM 828 N ASP A 52 43.808 35.299 19.643 1.00 0.00 N ATOM 829 CA ASP A 52 43.234 35.778 18.401 1.00 0.00 C ATOM 830 C ASP A 52 42.218 34.845 17.739 1.00 0.00 C ATOM 831 O ASP A 52 41.864 35.035 16.578 1.00 0.00 O ATOM 832 CB ASP A 52 44.352 36.150 17.431 1.00 0.00 C ATOM 833 CG ASP A 52 45.540 36.895 18.043 1.00 0.00 C ATOM 834 OD1 ASP A 52 45.884 38.019 17.617 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.236 36.327 18.912 1.00 0.00 O ATOM 0 H ASP A 52 44.761 34.959 19.514 1.00 0.00 H new ATOM 0 HA ASP A 52 42.648 36.657 18.668 1.00 0.00 H new ATOM 0 HB2 ASP A 52 44.721 35.237 16.963 1.00 0.00 H new ATOM 0 HB3 ASP A 52 43.930 36.767 16.638 1.00 0.00 H new ATOM 840 N GLY A 53 41.722 33.842 18.457 1.00 0.00 N ATOM 841 CA GLY A 53 40.595 33.021 18.061 1.00 0.00 C ATOM 842 C GLY A 53 39.240 33.510 18.577 1.00 0.00 C ATOM 843 O GLY A 53 38.222 32.910 18.244 1.00 0.00 O ATOM 0 H GLY A 53 42.111 33.574 19.361 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.560 32.975 16.973 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.760 32.004 18.417 1.00 0.00 H new ATOM 847 N ARG A 54 39.204 34.560 19.392 1.00 0.00 N ATOM 848 CA ARG A 54 38.012 35.104 20.012 1.00 0.00 C ATOM 849 C ARG A 54 37.972 36.631 19.931 1.00 0.00 C ATOM 850 O ARG A 54 38.986 37.283 19.693 1.00 0.00 O ATOM 851 CB ARG A 54 37.904 34.603 21.450 1.00 0.00 C ATOM 852 CG ARG A 54 37.823 33.091 21.638 1.00 0.00 C ATOM 853 CD ARG A 54 36.542 32.477 21.081 1.00 0.00 C ATOM 854 NE ARG A 54 36.525 31.021 21.216 1.00 0.00 N ATOM 855 CZ ARG A 54 36.602 30.120 20.228 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.937 30.448 18.972 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.345 28.825 20.454 1.00 0.00 N ATOM 0 H ARG A 54 40.047 35.075 19.646 1.00 0.00 H new ATOM 0 HA ARG A 54 37.142 34.750 19.459 1.00 0.00 H new ATOM 0 HB2 ARG A 54 38.767 34.970 22.005 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.019 35.051 21.902 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.681 32.626 21.152 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.895 32.860 22.701 1.00 0.00 H new ATOM 0 HD2 ARG A 54 35.682 32.899 21.602 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.440 32.744 20.029 1.00 0.00 H new ATOM 0 HE ARG A 54 36.446 30.652 22.164 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.146 31.418 18.737 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.983 29.727 18.252 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.086 28.512 21.390 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.408 28.152 19.690 1.00 0.00 H new ATOM 871 N THR A 55 36.779 37.192 20.105 1.00 0.00 N ATOM 872 CA THR A 55 36.456 38.589 19.899 1.00 0.00 C ATOM 873 C THR A 55 36.382 39.395 21.197 1.00 0.00 C ATOM 874 O THR A 55 36.274 38.829 22.282 1.00 0.00 O ATOM 875 CB THR A 55 35.163 38.753 19.106 1.00 0.00 C ATOM 876 OG1 THR A 55 34.036 38.240 19.780 1.00 0.00 O ATOM 877 CG2 THR A 55 35.218 38.065 17.744 1.00 0.00 C ATOM 0 H THR A 55 35.971 36.649 20.410 1.00 0.00 H new ATOM 0 HA THR A 55 37.285 38.995 19.319 1.00 0.00 H new ATOM 0 HB THR A 55 35.065 39.831 18.982 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.227 37.331 20.092 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.272 38.214 17.223 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.029 38.492 17.153 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.392 36.998 17.882 1.00 0.00 H new ATOM 885 N LEU A 56 36.397 40.722 21.115 1.00 0.00 N ATOM 886 CA LEU A 56 36.352 41.613 22.257 1.00 0.00 C ATOM 887 C LEU A 56 35.171 41.353 23.194 1.00 0.00 C ATOM 888 O LEU A 56 35.343 41.339 24.410 1.00 0.00 O ATOM 889 CB LEU A 56 36.376 43.056 21.758 1.00 0.00 C ATOM 890 CG LEU A 56 37.769 43.676 21.793 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.796 42.959 20.920 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.705 45.140 21.369 1.00 0.00 C ATOM 0 H LEU A 56 36.442 41.216 20.224 1.00 0.00 H new ATOM 0 HA LEU A 56 37.234 41.418 22.868 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.996 43.088 20.737 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.702 43.657 22.368 1.00 0.00 H new ATOM 0 HG LEU A 56 38.103 43.577 22.826 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.759 43.463 21.002 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.898 41.926 21.252 1.00 0.00 H new ATOM 0 HD13 LEU A 56 38.465 42.975 19.881 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.706 45.571 21.398 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.310 45.208 20.355 1.00 0.00 H new ATOM 0 HD23 LEU A 56 37.054 45.688 22.050 1.00 0.00 H new ATOM 904 N SER A 57 33.990 41.069 22.651 1.00 0.00 N ATOM 905 CA SER A 57 32.826 40.656 23.408 1.00 0.00 C ATOM 906 C SER A 57 33.010 39.339 24.165 1.00 0.00 C ATOM 907 O SER A 57 32.520 39.217 25.285 1.00 0.00 O ATOM 908 CB SER A 57 31.602 40.562 22.501 1.00 0.00 C ATOM 909 OG SER A 57 31.818 39.656 21.443 1.00 0.00 O ATOM 0 H SER A 57 33.818 41.123 21.647 1.00 0.00 H new ATOM 0 HA SER A 57 32.678 41.429 24.162 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.738 40.244 23.084 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.369 41.547 22.097 1.00 0.00 H new ATOM 0 HG SER A 57 32.311 40.104 20.724 1.00 0.00 H new ATOM 915 N ASP A 58 33.760 38.382 23.627 1.00 0.00 N ATOM 916 CA ASP A 58 34.076 37.137 24.298 1.00 0.00 C ATOM 917 C ASP A 58 34.980 37.344 25.514 1.00 0.00 C ATOM 918 O ASP A 58 35.047 36.483 26.390 1.00 0.00 O ATOM 919 CB ASP A 58 34.736 36.147 23.342 1.00 0.00 C ATOM 920 CG ASP A 58 33.895 35.827 22.105 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.702 35.494 22.275 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.422 35.896 20.974 1.00 0.00 O ATOM 0 H ASP A 58 34.170 38.457 22.696 1.00 0.00 H new ATOM 0 HA ASP A 58 33.126 36.729 24.645 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.696 36.551 23.022 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.943 35.221 23.879 1.00 0.00 H new ATOM 927 N TYR A 59 35.642 38.495 25.600 1.00 0.00 N ATOM 928 CA TYR A 59 36.486 38.920 26.698 1.00 0.00 C ATOM 929 C TYR A 59 35.848 40.005 27.568 1.00 0.00 C ATOM 930 O TYR A 59 36.503 40.512 28.476 1.00 0.00 O ATOM 931 CB TYR A 59 37.841 39.337 26.133 1.00 0.00 C ATOM 932 CG TYR A 59 38.594 38.261 25.389 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.999 37.107 26.072 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.934 38.416 24.040 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.778 36.136 25.431 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.696 37.445 23.380 1.00 0.00 C ATOM 937 CZ TYR A 59 40.141 36.308 24.081 1.00 0.00 C ATOM 938 OH TYR A 59 40.935 35.376 23.479 1.00 0.00 O ATOM 0 H TYR A 59 35.596 39.193 24.857 1.00 0.00 H new ATOM 0 HA TYR A 59 36.622 38.081 27.380 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.690 40.182 25.461 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.464 39.691 26.954 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.708 36.965 27.102 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.605 39.294 23.503 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.100 35.257 25.970 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.942 37.568 22.336 1.00 0.00 H new ATOM 0 HH TYR A 59 41.153 35.670 22.570 1.00 0.00 H new ATOM 948 N ASN A 60 34.588 40.366 27.348 1.00 0.00 N ATOM 949 CA ASN A 60 33.886 41.436 28.029 1.00 0.00 C ATOM 950 C ASN A 60 34.586 42.794 27.945 1.00 0.00 C ATOM 951 O ASN A 60 34.513 43.611 28.858 1.00 0.00 O ATOM 952 CB ASN A 60 33.466 40.987 29.426 1.00 0.00 C ATOM 953 CG ASN A 60 32.502 41.937 30.143 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.798 42.483 31.202 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.294 42.149 29.626 1.00 0.00 N ATOM 0 H ASN A 60 34.005 39.895 26.656 1.00 0.00 H new ATOM 0 HA ASN A 60 32.962 41.637 27.487 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.998 40.005 29.352 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.360 40.869 30.038 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.632 42.757 30.109 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.030 41.704 28.747 1.00 0.00 H new ATOM 962 N ILE A 61 35.270 43.070 26.838 1.00 0.00 N ATOM 963 CA ILE A 61 35.861 44.367 26.574 1.00 0.00 C ATOM 964 C ILE A 61 34.755 45.316 26.106 1.00 0.00 C ATOM 965 O ILE A 61 33.985 45.005 25.200 1.00 0.00 O ATOM 966 CB ILE A 61 37.043 44.247 25.616 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.169 43.469 26.290 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.542 45.618 25.167 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.270 42.978 25.353 1.00 0.00 C ATOM 0 H ILE A 61 35.428 42.389 26.095 1.00 0.00 H new ATOM 0 HA ILE A 61 36.290 44.793 27.481 1.00 0.00 H new ATOM 0 HB ILE A 61 36.710 43.712 24.727 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.620 44.102 27.054 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.739 42.608 26.802 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.384 45.494 24.486 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.738 46.149 24.657 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.861 46.192 26.037 1.00 0.00 H new ATOM 0 HD11 ILE A 61 40.022 42.437 25.927 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.840 42.314 24.603 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.735 43.831 24.859 1.00 0.00 H new ATOM 981 N GLN A 62 34.668 46.470 26.762 1.00 0.00 N ATOM 982 CA GLN A 62 33.634 47.471 26.600 1.00 0.00 C ATOM 983 C GLN A 62 34.215 48.881 26.723 1.00 0.00 C ATOM 984 O GLN A 62 35.337 49.048 27.196 1.00 0.00 O ATOM 985 CB GLN A 62 32.547 47.264 27.651 1.00 0.00 C ATOM 986 CG GLN A 62 31.705 46.012 27.420 1.00 0.00 C ATOM 987 CD GLN A 62 30.572 45.847 28.433 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.254 46.729 29.228 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.910 44.694 28.440 1.00 0.00 N ATOM 0 H GLN A 62 35.361 46.741 27.460 1.00 0.00 H new ATOM 0 HA GLN A 62 33.203 47.364 25.605 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.012 47.203 28.635 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.892 48.135 27.661 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.282 46.048 26.416 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.351 45.135 27.463 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.165 43.955 27.785 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.147 44.548 29.101 1.00 0.00 H new ATOM 998 N LYS A 63 33.443 49.893 26.337 1.00 0.00 N ATOM 999 CA LYS A 63 33.784 51.301 26.394 1.00 0.00 C ATOM 1000 C LYS A 63 34.493 51.735 27.678 1.00 0.00 C ATOM 1001 O LYS A 63 34.175 51.269 28.770 1.00 0.00 O ATOM 1002 CB LYS A 63 32.532 52.130 26.127 1.00 0.00 C ATOM 1003 CG LYS A 63 31.471 52.053 27.221 1.00 0.00 C ATOM 1004 CD LYS A 63 30.119 52.563 26.730 1.00 0.00 C ATOM 1005 CE LYS A 63 29.071 52.340 27.817 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.713 52.652 27.346 1.00 0.00 N ATOM 0 H LYS A 63 32.510 49.737 25.955 1.00 0.00 H new ATOM 0 HA LYS A 63 34.524 51.481 25.614 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.824 53.172 25.996 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.089 51.802 25.187 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.370 51.022 27.559 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.791 52.641 28.081 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.185 53.623 26.484 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.830 52.041 25.818 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.110 51.303 28.150 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.307 52.962 28.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.032 52.487 28.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.668 53.648 27.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.477 52.041 26.538 1.00 0.00 H new ATOM 1020 N GLU A 64 35.481 52.616 27.547 1.00 0.00 N ATOM 1021 CA GLU A 64 36.278 53.196 28.610 1.00 0.00 C ATOM 1022 C GLU A 64 37.115 52.233 29.454 1.00 0.00 C ATOM 1023 O GLU A 64 37.813 52.670 30.367 1.00 0.00 O ATOM 1024 CB GLU A 64 35.446 54.151 29.461 1.00 0.00 C ATOM 1025 CG GLU A 64 34.703 55.212 28.654 1.00 0.00 C ATOM 1026 CD GLU A 64 33.997 56.212 29.571 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.655 57.163 30.047 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.776 56.078 29.806 1.00 0.00 O ATOM 0 H GLU A 64 35.761 52.964 26.630 1.00 0.00 H new ATOM 0 HA GLU A 64 37.046 53.762 28.083 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.722 53.573 30.036 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.100 54.646 30.178 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.405 55.740 28.009 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.972 54.732 28.004 1.00 0.00 H new ATOM 1035 N SER A 65 37.100 50.937 29.156 1.00 0.00 N ATOM 1036 CA SER A 65 37.941 49.932 29.777 1.00 0.00 C ATOM 1037 C SER A 65 39.405 50.056 29.351 1.00 0.00 C ATOM 1038 O SER A 65 39.689 50.553 28.264 1.00 0.00 O ATOM 1039 CB SER A 65 37.433 48.529 29.455 1.00 0.00 C ATOM 1040 OG SER A 65 36.056 48.399 29.727 1.00 0.00 O ATOM 0 H SER A 65 36.477 50.549 28.448 1.00 0.00 H new ATOM 0 HA SER A 65 37.889 50.102 30.852 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.619 48.307 28.404 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.990 47.797 30.039 1.00 0.00 H new ATOM 0 HG SER A 65 35.540 48.674 28.941 1.00 0.00 H new ATOM 1046 N THR A 66 40.336 49.560 30.161 1.00 0.00 N ATOM 1047 CA THR A 66 41.766 49.623 29.928 1.00 0.00 C ATOM 1048 C THR A 66 42.383 48.243 29.694 1.00 0.00 C ATOM 1049 O THR A 66 42.222 47.324 30.494 1.00 0.00 O ATOM 1050 CB THR A 66 42.493 50.350 31.055 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.097 51.702 31.100 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.010 50.400 30.893 1.00 0.00 C ATOM 0 H THR A 66 40.099 49.085 31.032 1.00 0.00 H new ATOM 0 HA THR A 66 41.896 50.199 29.012 1.00 0.00 H new ATOM 0 HB THR A 66 42.233 49.783 31.949 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.569 52.157 31.828 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.449 50.934 31.736 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.406 49.385 30.860 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.260 50.917 29.967 1.00 0.00 H new ATOM 1060 N LEU A 67 43.149 48.146 28.611 1.00 0.00 N ATOM 1061 CA LEU A 67 43.929 47.005 28.179 1.00 0.00 C ATOM 1062 C LEU A 67 45.411 47.259 28.466 1.00 0.00 C ATOM 1063 O LEU A 67 45.890 48.368 28.245 1.00 0.00 O ATOM 1064 CB LEU A 67 43.653 46.832 26.688 1.00 0.00 C ATOM 1065 CG LEU A 67 44.322 45.646 25.996 1.00 0.00 C ATOM 1066 CD1 LEU A 67 43.620 44.342 26.361 1.00 0.00 C ATOM 1067 CD2 LEU A 67 44.222 45.811 24.482 1.00 0.00 C ATOM 0 H LEU A 67 43.243 48.930 27.965 1.00 0.00 H new ATOM 0 HA LEU A 67 43.659 46.093 28.712 1.00 0.00 H new ATOM 0 HB2 LEU A 67 42.575 46.742 26.550 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.964 47.743 26.177 1.00 0.00 H new ATOM 0 HG LEU A 67 45.362 45.614 26.319 1.00 0.00 H new ATOM 0 HD11 LEU A 67 44.113 43.510 25.857 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.668 44.193 27.440 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.577 44.390 26.047 1.00 0.00 H new ATOM 0 HD21 LEU A 67 44.700 44.963 23.991 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.173 45.855 24.189 1.00 0.00 H new ATOM 0 HD23 LEU A 67 44.721 46.732 24.183 1.00 0.00 H new ATOM 1079 N HIS A 68 46.167 46.252 28.895 1.00 0.00 N ATOM 1080 CA HIS A 68 47.588 46.360 29.154 1.00 0.00 C ATOM 1081 C HIS A 68 48.399 45.697 28.039 1.00 0.00 C ATOM 1082 O HIS A 68 48.207 44.522 27.730 1.00 0.00 O ATOM 1083 CB HIS A 68 47.890 45.809 30.545 1.00 0.00 C ATOM 1084 CG HIS A 68 47.169 46.558 31.632 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.017 46.120 32.281 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.479 47.815 32.081 1.00 0.00 C ATOM 1087 CE1 HIS A 68 45.646 47.116 33.089 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.500 48.149 32.997 1.00 0.00 N ATOM 0 H HIS A 68 45.794 45.320 29.074 1.00 0.00 H new ATOM 0 HA HIS A 68 47.893 47.407 29.150 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.607 44.757 30.584 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.964 45.858 30.726 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.320 48.422 31.780 1.00 0.00 H new ATOM 0 HE1 HIS A 68 44.777 47.094 33.730 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.437 49.026 33.513 1.00 0.00 H new ATOM 1096 N LEU A 69 49.296 46.452 27.413 1.00 0.00 N ATOM 1097 CA LEU A 69 50.189 46.007 26.363 1.00 0.00 C ATOM 1098 C LEU A 69 51.574 45.692 26.932 1.00 0.00 C ATOM 1099 O LEU A 69 52.116 46.453 27.730 1.00 0.00 O ATOM 1100 CB LEU A 69 50.222 47.052 25.251 1.00 0.00 C ATOM 1101 CG LEU A 69 51.094 46.693 24.051 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.554 47.377 22.798 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.547 47.147 24.169 1.00 0.00 C ATOM 0 H LEU A 69 49.421 47.439 27.640 1.00 0.00 H new ATOM 0 HA LEU A 69 49.822 45.078 25.928 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.203 47.221 24.902 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.577 47.994 25.669 1.00 0.00 H new ATOM 0 HG LEU A 69 51.065 45.604 24.004 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.180 47.118 21.944 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.532 47.045 22.614 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.564 48.458 22.940 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.094 46.851 23.274 1.00 0.00 H new ATOM 0 HD22 LEU A 69 52.582 48.231 24.274 1.00 0.00 H new ATOM 0 HD23 LEU A 69 53.003 46.683 25.043 1.00 0.00 H new ATOM 1115 N VAL A 70 52.154 44.587 26.470 1.00 0.00 N ATOM 1116 CA VAL A 70 53.465 44.098 26.849 1.00 0.00 C ATOM 1117 C VAL A 70 54.274 43.775 25.592 1.00 0.00 C ATOM 1118 O VAL A 70 53.747 43.214 24.633 1.00 0.00 O ATOM 1119 CB VAL A 70 53.340 42.874 27.752 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.690 42.505 28.362 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.373 43.081 28.914 1.00 0.00 C ATOM 0 H VAL A 70 51.695 43.983 25.788 1.00 0.00 H new ATOM 0 HA VAL A 70 53.988 44.871 27.412 1.00 0.00 H new ATOM 0 HB VAL A 70 52.962 42.083 27.105 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.573 41.630 29.001 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.400 42.281 27.566 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.062 43.340 28.955 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.330 42.174 29.517 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.718 43.911 29.531 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.380 43.306 28.525 1.00 0.00 H new