USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 -72:sc= 1.16 USER MOD Set 1.2: A 57 SER OG : rot -85:sc= 0.711 USER MOD Set 2.1: A 7 THR OG1 : rot 133:sc= 1.76 USER MOD Set 2.2: A 9 THR OG1 : rot -150:sc= 1.03 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 170:sc= 1.02 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 139:sc= 0.884 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.18 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 0.471 (180deg=-0.514!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.206 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.25 (180deg=0.781) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00375) USER MOD Single : A 31 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0354) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 41 GLN : amide:sc= 0.759 K(o=0.76,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.559 K(o=0.56,f=-5.2!) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.42 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 51:sc= 0.54 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 32.276 51.874 20.732 1.00 0.00 N ATOM 2 CA MET A 1 32.683 52.183 22.111 1.00 0.00 C ATOM 3 C MET A 1 34.164 52.561 22.169 1.00 0.00 C ATOM 4 O MET A 1 34.958 52.028 21.396 1.00 0.00 O ATOM 5 CB MET A 1 32.364 51.054 23.087 1.00 0.00 C ATOM 6 CG MET A 1 33.078 49.740 22.785 1.00 0.00 C ATOM 7 SD MET A 1 32.727 48.421 23.972 1.00 0.00 S ATOM 8 CE MET A 1 33.868 47.153 23.366 1.00 0.00 C ATOM 0 H1 MET A 1 31.276 51.587 20.721 1.00 0.00 H new ATOM 0 H2 MET A 1 32.401 52.717 20.136 1.00 0.00 H new ATOM 0 H3 MET A 1 32.862 51.099 20.362 1.00 0.00 H new ATOM 0 HA MET A 1 32.093 53.042 22.429 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.630 51.375 24.094 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.288 50.879 23.082 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.791 49.404 21.789 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.153 49.919 22.764 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.784 46.261 23.987 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.619 46.902 22.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.889 47.531 23.410 1.00 0.00 H new ATOM 20 N GLN A 2 34.543 53.428 23.103 1.00 0.00 N ATOM 21 CA GLN A 2 35.928 53.740 23.393 1.00 0.00 C ATOM 22 C GLN A 2 36.545 52.764 24.397 1.00 0.00 C ATOM 23 O GLN A 2 35.869 52.316 25.321 1.00 0.00 O ATOM 24 CB GLN A 2 36.070 55.183 23.866 1.00 0.00 C ATOM 25 CG GLN A 2 35.844 56.166 22.721 1.00 0.00 C ATOM 26 CD GLN A 2 36.021 57.621 23.160 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.051 58.254 22.939 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.017 58.228 23.787 1.00 0.00 N ATOM 0 H GLN A 2 33.881 53.939 23.686 1.00 0.00 H new ATOM 0 HA GLN A 2 36.486 53.627 22.463 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.353 55.379 24.663 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.064 55.334 24.287 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.542 55.945 21.913 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.839 56.029 22.321 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.154 57.719 23.979 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.110 59.202 24.075 1.00 0.00 H new ATOM 37 N ILE A 3 37.835 52.481 24.241 1.00 0.00 N ATOM 38 CA ILE A 3 38.679 51.751 25.166 1.00 0.00 C ATOM 39 C ILE A 3 40.040 52.432 25.315 1.00 0.00 C ATOM 40 O ILE A 3 40.409 53.267 24.493 1.00 0.00 O ATOM 41 CB ILE A 3 38.838 50.287 24.766 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.501 50.104 23.403 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.503 49.551 24.847 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.961 48.675 23.122 1.00 0.00 C ATOM 0 H ILE A 3 38.346 52.777 23.410 1.00 0.00 H new ATOM 0 HA ILE A 3 38.181 51.764 26.136 1.00 0.00 H new ATOM 0 HB ILE A 3 39.520 49.839 25.489 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.800 50.408 22.626 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.360 50.771 23.336 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.643 48.510 24.557 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.124 49.595 25.868 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.787 50.022 24.174 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.421 48.628 22.135 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.688 48.372 23.876 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.103 48.004 23.154 1.00 0.00 H new ATOM 56 N PHE A 4 40.816 52.046 26.325 1.00 0.00 N ATOM 57 CA PHE A 4 42.151 52.542 26.591 1.00 0.00 C ATOM 58 C PHE A 4 43.202 51.433 26.515 1.00 0.00 C ATOM 59 O PHE A 4 42.974 50.331 27.011 1.00 0.00 O ATOM 60 CB PHE A 4 42.211 53.186 27.973 1.00 0.00 C ATOM 61 CG PHE A 4 41.190 54.259 28.271 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.461 55.598 27.965 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.999 53.924 28.927 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.542 56.601 28.297 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.089 54.928 29.279 1.00 0.00 C ATOM 66 CZ PHE A 4 39.355 56.264 28.959 1.00 0.00 C ATOM 0 H PHE A 4 40.513 51.349 27.005 1.00 0.00 H new ATOM 0 HA PHE A 4 42.374 53.281 25.821 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.104 52.399 28.719 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.204 53.616 28.104 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.385 55.859 27.470 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.783 52.892 29.161 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.748 57.630 28.043 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.178 54.670 29.799 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.645 57.034 29.222 1.00 0.00 H new ATOM 76 N VAL A 5 44.382 51.738 25.981 1.00 0.00 N ATOM 77 CA VAL A 5 45.547 50.877 25.990 1.00 0.00 C ATOM 78 C VAL A 5 46.717 51.584 26.676 1.00 0.00 C ATOM 79 O VAL A 5 47.106 52.676 26.264 1.00 0.00 O ATOM 80 CB VAL A 5 45.927 50.415 24.586 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.102 49.443 24.623 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.772 49.701 23.889 1.00 0.00 C ATOM 0 H VAL A 5 44.553 52.628 25.513 1.00 0.00 H new ATOM 0 HA VAL A 5 45.298 49.981 26.558 1.00 0.00 H new ATOM 0 HB VAL A 5 46.192 51.319 24.037 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.349 49.132 23.608 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.966 49.933 25.073 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.832 48.568 25.215 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.085 49.389 22.893 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.483 48.825 24.469 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.922 50.379 23.806 1.00 0.00 H new ATOM 92 N LYS A 6 47.282 50.956 27.703 1.00 0.00 N ATOM 93 CA LYS A 6 48.404 51.414 28.498 1.00 0.00 C ATOM 94 C LYS A 6 49.718 50.842 27.966 1.00 0.00 C ATOM 95 O LYS A 6 49.841 49.624 27.847 1.00 0.00 O ATOM 96 CB LYS A 6 48.192 50.987 29.948 1.00 0.00 C ATOM 97 CG LYS A 6 46.969 51.590 30.634 1.00 0.00 C ATOM 98 CD LYS A 6 47.206 53.045 31.025 1.00 0.00 C ATOM 99 CE LYS A 6 45.945 53.706 31.573 1.00 0.00 C ATOM 100 NZ LYS A 6 46.230 55.104 31.931 1.00 0.00 N ATOM 0 H LYS A 6 46.939 50.049 28.020 1.00 0.00 H new ATOM 0 HA LYS A 6 48.464 52.501 28.438 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.108 49.901 29.981 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.079 51.255 30.522 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.109 51.527 29.967 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.726 51.008 31.523 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.995 53.094 31.775 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.557 53.601 30.156 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.150 53.667 30.828 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.589 53.162 32.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.339 55.597 32.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.846 55.129 32.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.707 55.576 31.136 1.00 0.00 H new ATOM 114 N THR A 7 50.714 51.677 27.685 1.00 0.00 N ATOM 115 CA THR A 7 51.996 51.265 27.148 1.00 0.00 C ATOM 116 C THR A 7 53.059 51.040 28.225 1.00 0.00 C ATOM 117 O THR A 7 52.973 51.561 29.335 1.00 0.00 O ATOM 118 CB THR A 7 52.536 52.242 26.107 1.00 0.00 C ATOM 119 OG1 THR A 7 52.946 53.452 26.702 1.00 0.00 O ATOM 120 CG2 THR A 7 51.543 52.571 24.996 1.00 0.00 C ATOM 0 H THR A 7 50.645 52.684 27.830 1.00 0.00 H new ATOM 0 HA THR A 7 51.794 50.309 26.665 1.00 0.00 H new ATOM 0 HB THR A 7 53.385 51.725 25.659 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.828 53.704 26.357 1.00 0.00 H new ATOM 0 HG21 THR A 7 51.999 53.271 24.296 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.270 51.657 24.469 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.649 53.021 25.428 1.00 0.00 H new ATOM 128 N LEU A 8 54.125 50.328 27.875 1.00 0.00 N ATOM 129 CA LEU A 8 55.324 50.203 28.678 1.00 0.00 C ATOM 130 C LEU A 8 56.020 51.547 28.899 1.00 0.00 C ATOM 131 O LEU A 8 56.628 51.781 29.941 1.00 0.00 O ATOM 132 CB LEU A 8 56.280 49.228 27.996 1.00 0.00 C ATOM 133 CG LEU A 8 55.737 47.816 27.797 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.776 46.969 27.068 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.406 47.134 29.121 1.00 0.00 C ATOM 0 H LEU A 8 54.174 49.809 26.998 1.00 0.00 H new ATOM 0 HA LEU A 8 55.033 49.829 29.660 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.555 49.635 27.023 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.194 49.168 28.586 1.00 0.00 H new ATOM 0 HG LEU A 8 54.820 47.902 27.215 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.388 45.960 26.926 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.993 47.415 26.097 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.690 46.926 27.660 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.023 46.132 28.928 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.307 47.067 29.731 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.651 47.715 29.651 1.00 0.00 H new ATOM 147 N THR A 9 55.875 52.471 27.953 1.00 0.00 N ATOM 148 CA THR A 9 56.338 53.843 27.994 1.00 0.00 C ATOM 149 C THR A 9 55.433 54.788 28.787 1.00 0.00 C ATOM 150 O THR A 9 55.627 56.001 28.751 1.00 0.00 O ATOM 151 CB THR A 9 56.575 54.351 26.574 1.00 0.00 C ATOM 152 OG1 THR A 9 55.446 54.074 25.776 1.00 0.00 O ATOM 153 CG2 THR A 9 57.765 53.650 25.926 1.00 0.00 C ATOM 0 H THR A 9 55.396 52.259 27.078 1.00 0.00 H new ATOM 0 HA THR A 9 57.280 53.839 28.542 1.00 0.00 H new ATOM 0 HB THR A 9 56.766 55.422 26.640 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.727 53.942 24.846 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.907 54.034 24.916 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.663 53.837 26.515 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.576 52.577 25.883 1.00 0.00 H new ATOM 161 N GLY A 10 54.452 54.268 29.520 1.00 0.00 N ATOM 162 CA GLY A 10 53.604 55.030 30.414 1.00 0.00 C ATOM 163 C GLY A 10 52.549 55.907 29.735 1.00 0.00 C ATOM 164 O GLY A 10 51.947 56.748 30.400 1.00 0.00 O ATOM 0 H GLY A 10 54.223 53.274 29.503 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.097 54.336 31.085 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.237 55.667 31.032 1.00 0.00 H new ATOM 168 N LYS A 11 52.320 55.729 28.437 1.00 0.00 N ATOM 169 CA LYS A 11 51.353 56.445 27.629 1.00 0.00 C ATOM 170 C LYS A 11 49.977 55.782 27.702 1.00 0.00 C ATOM 171 O LYS A 11 49.872 54.623 28.098 1.00 0.00 O ATOM 172 CB LYS A 11 51.836 56.539 26.185 1.00 0.00 C ATOM 173 CG LYS A 11 53.255 57.079 26.029 1.00 0.00 C ATOM 174 CD LYS A 11 53.612 57.416 24.584 1.00 0.00 C ATOM 175 CE LYS A 11 53.611 56.194 23.671 1.00 0.00 C ATOM 176 NZ LYS A 11 53.861 56.561 22.269 1.00 0.00 N ATOM 0 H LYS A 11 52.839 55.038 27.894 1.00 0.00 H new ATOM 0 HA LYS A 11 51.255 57.455 28.027 1.00 0.00 H new ATOM 0 HB2 LYS A 11 51.785 55.549 25.732 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.153 57.180 25.627 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.367 57.973 26.642 1.00 0.00 H new ATOM 0 HG3 LYS A 11 53.962 56.341 26.409 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.902 58.149 24.201 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.597 57.882 24.558 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.374 55.490 24.004 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.651 55.683 23.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.328 55.770 21.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.958 56.772 21.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.474 57.400 22.234 1.00 0.00 H new ATOM 190 N THR A 12 48.924 56.482 27.289 1.00 0.00 N ATOM 191 CA THR A 12 47.591 55.938 27.133 1.00 0.00 C ATOM 192 C THR A 12 47.027 56.275 25.750 1.00 0.00 C ATOM 193 O THR A 12 46.809 57.440 25.427 1.00 0.00 O ATOM 194 CB THR A 12 46.626 56.428 28.209 1.00 0.00 C ATOM 195 OG1 THR A 12 47.177 56.255 29.494 1.00 0.00 O ATOM 196 CG2 THR A 12 45.323 55.632 28.204 1.00 0.00 C ATOM 0 H THR A 12 48.983 57.471 27.048 1.00 0.00 H new ATOM 0 HA THR A 12 47.686 54.857 27.240 1.00 0.00 H new ATOM 0 HB THR A 12 46.441 57.479 27.987 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.977 57.041 30.044 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.662 56.011 28.984 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.837 55.736 27.234 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.539 54.580 28.390 1.00 0.00 H new ATOM 204 N ILE A 13 46.738 55.257 24.945 1.00 0.00 N ATOM 205 CA ILE A 13 46.141 55.386 23.632 1.00 0.00 C ATOM 206 C ILE A 13 44.650 55.059 23.740 1.00 0.00 C ATOM 207 O ILE A 13 44.299 53.986 24.226 1.00 0.00 O ATOM 208 CB ILE A 13 46.876 54.506 22.625 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.328 54.953 22.479 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.176 54.525 21.269 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.209 54.027 21.646 1.00 0.00 C ATOM 0 H ILE A 13 46.922 54.288 25.204 1.00 0.00 H new ATOM 0 HA ILE A 13 46.234 56.408 23.263 1.00 0.00 H new ATOM 0 HB ILE A 13 46.863 53.483 23.001 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.343 55.946 22.029 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.765 55.047 23.473 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.720 53.890 20.570 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.157 54.153 21.380 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.150 55.546 20.887 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.221 54.430 21.601 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.232 53.038 22.104 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.804 53.950 20.637 1.00 0.00 H new ATOM 223 N THR A 14 43.771 55.949 23.287 1.00 0.00 N ATOM 224 CA THR A 14 42.368 55.635 23.113 1.00 0.00 C ATOM 225 C THR A 14 42.139 54.946 21.766 1.00 0.00 C ATOM 226 O THR A 14 42.724 55.356 20.766 1.00 0.00 O ATOM 227 CB THR A 14 41.438 56.836 23.258 1.00 0.00 C ATOM 228 OG1 THR A 14 41.663 57.824 22.278 1.00 0.00 O ATOM 229 CG2 THR A 14 41.572 57.514 24.618 1.00 0.00 C ATOM 0 H THR A 14 44.017 56.905 23.032 1.00 0.00 H new ATOM 0 HA THR A 14 42.111 54.957 23.927 1.00 0.00 H new ATOM 0 HB THR A 14 40.438 56.418 23.140 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.041 58.569 22.415 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.889 58.362 24.671 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.327 56.801 25.406 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.596 57.863 24.751 1.00 0.00 H new ATOM 237 N LEU A 15 41.281 53.929 21.729 1.00 0.00 N ATOM 238 CA LEU A 15 40.811 53.299 20.511 1.00 0.00 C ATOM 239 C LEU A 15 39.282 53.233 20.503 1.00 0.00 C ATOM 240 O LEU A 15 38.660 53.122 21.557 1.00 0.00 O ATOM 241 CB LEU A 15 41.431 51.914 20.348 1.00 0.00 C ATOM 242 CG LEU A 15 42.949 51.863 20.203 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.412 50.409 20.173 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.454 52.519 18.920 1.00 0.00 C ATOM 0 H LEU A 15 40.886 53.513 22.573 1.00 0.00 H new ATOM 0 HA LEU A 15 41.125 53.902 19.659 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.150 51.310 21.211 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.988 51.442 19.471 1.00 0.00 H new ATOM 0 HG LEU A 15 43.351 52.409 21.056 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.497 50.375 20.069 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.120 49.915 21.100 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.950 49.898 19.328 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.541 52.448 18.879 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.024 52.010 18.057 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.158 53.568 18.907 1.00 0.00 H new ATOM 256 N GLU A 16 38.682 53.276 19.317 1.00 0.00 N ATOM 257 CA GLU A 16 37.250 53.230 19.101 1.00 0.00 C ATOM 258 C GLU A 16 36.870 51.988 18.291 1.00 0.00 C ATOM 259 O GLU A 16 37.266 51.844 17.137 1.00 0.00 O ATOM 260 CB GLU A 16 36.793 54.537 18.461 1.00 0.00 C ATOM 261 CG GLU A 16 35.288 54.624 18.223 1.00 0.00 C ATOM 262 CD GLU A 16 34.897 54.341 16.771 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.207 55.173 15.892 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.211 53.330 16.509 1.00 0.00 O ATOM 0 H GLU A 16 39.209 53.347 18.446 1.00 0.00 H new ATOM 0 HA GLU A 16 36.726 53.138 20.052 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.097 55.367 19.099 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.308 54.662 17.508 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.780 53.914 18.876 1.00 0.00 H new ATOM 0 HG3 GLU A 16 34.938 55.618 18.501 1.00 0.00 H new ATOM 271 N VAL A 17 36.135 51.071 18.914 1.00 0.00 N ATOM 272 CA VAL A 17 35.929 49.706 18.473 1.00 0.00 C ATOM 273 C VAL A 17 34.482 49.248 18.664 1.00 0.00 C ATOM 274 O VAL A 17 33.739 49.814 19.462 1.00 0.00 O ATOM 275 CB VAL A 17 36.876 48.757 19.201 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.335 49.014 18.836 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.745 48.822 20.719 1.00 0.00 C ATOM 0 H VAL A 17 35.644 51.277 19.784 1.00 0.00 H new ATOM 0 HA VAL A 17 36.145 49.682 17.405 1.00 0.00 H new ATOM 0 HB VAL A 17 36.578 47.763 18.868 1.00 0.00 H new ATOM 0 HG11 VAL A 17 38.974 48.316 19.377 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.472 48.875 17.764 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.603 50.035 19.106 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.446 48.123 21.175 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.967 49.833 21.060 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.728 48.557 21.008 1.00 0.00 H new ATOM 287 N GLU A 18 34.077 48.203 17.948 1.00 0.00 N ATOM 288 CA GLU A 18 32.775 47.577 18.054 1.00 0.00 C ATOM 289 C GLU A 18 32.884 46.170 18.645 1.00 0.00 C ATOM 290 O GLU A 18 33.861 45.487 18.346 1.00 0.00 O ATOM 291 CB GLU A 18 32.118 47.558 16.676 1.00 0.00 C ATOM 292 CG GLU A 18 31.758 48.945 16.151 1.00 0.00 C ATOM 293 CD GLU A 18 30.555 49.576 16.856 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.550 48.880 17.118 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.570 50.801 17.105 1.00 0.00 O ATOM 0 H GLU A 18 34.675 47.756 17.253 1.00 0.00 H new ATOM 0 HA GLU A 18 32.151 48.155 18.736 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.791 47.074 15.968 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.214 46.950 16.722 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.620 49.602 16.265 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.548 48.877 15.084 1.00 0.00 H new ATOM 302 N PRO A 19 31.947 45.673 19.446 1.00 0.00 N ATOM 303 CA PRO A 19 32.088 44.413 20.148 1.00 0.00 C ATOM 304 C PRO A 19 32.323 43.161 19.302 1.00 0.00 C ATOM 305 O PRO A 19 32.814 42.159 19.817 1.00 0.00 O ATOM 306 CB PRO A 19 30.817 44.253 20.976 1.00 0.00 C ATOM 307 CG PRO A 19 30.375 45.691 21.233 1.00 0.00 C ATOM 308 CD PRO A 19 30.780 46.381 19.933 1.00 0.00 C ATOM 0 HA PRO A 19 33.006 44.477 20.733 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.055 43.689 20.437 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.009 43.720 21.907 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.303 45.762 21.417 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.876 46.124 22.099 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.970 46.344 19.204 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.007 47.433 20.105 1.00 0.00 H new ATOM 316 N SER A 20 31.984 43.183 18.017 1.00 0.00 N ATOM 317 CA SER A 20 32.252 42.117 17.074 1.00 0.00 C ATOM 318 C SER A 20 33.619 42.187 16.390 1.00 0.00 C ATOM 319 O SER A 20 33.942 41.282 15.625 1.00 0.00 O ATOM 320 CB SER A 20 31.140 42.048 16.031 1.00 0.00 C ATOM 321 OG SER A 20 31.075 43.242 15.283 1.00 0.00 O ATOM 0 H SER A 20 31.498 43.974 17.595 1.00 0.00 H new ATOM 0 HA SER A 20 32.277 41.204 17.668 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.315 41.205 15.363 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.184 41.871 16.524 1.00 0.00 H new ATOM 0 HG SER A 20 30.357 43.174 14.620 1.00 0.00 H new ATOM 327 N ASP A 21 34.422 43.222 16.621 1.00 0.00 N ATOM 328 CA ASP A 21 35.746 43.369 16.050 1.00 0.00 C ATOM 329 C ASP A 21 36.761 42.423 16.695 1.00 0.00 C ATOM 330 O ASP A 21 36.598 42.007 17.840 1.00 0.00 O ATOM 331 CB ASP A 21 36.225 44.814 16.141 1.00 0.00 C ATOM 332 CG ASP A 21 35.396 45.835 15.360 1.00 0.00 C ATOM 333 OD1 ASP A 21 34.684 45.469 14.401 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.543 47.045 15.638 1.00 0.00 O ATOM 0 H ASP A 21 34.158 43.999 17.227 1.00 0.00 H new ATOM 0 HA ASP A 21 35.669 43.095 14.998 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.237 45.109 17.190 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.254 44.860 15.785 1.00 0.00 H new ATOM 339 N THR A 22 37.817 42.065 15.970 1.00 0.00 N ATOM 340 CA THR A 22 38.786 41.078 16.401 1.00 0.00 C ATOM 341 C THR A 22 39.846 41.618 17.364 1.00 0.00 C ATOM 342 O THR A 22 40.061 42.823 17.463 1.00 0.00 O ATOM 343 CB THR A 22 39.435 40.323 15.245 1.00 0.00 C ATOM 344 OG1 THR A 22 40.349 41.123 14.529 1.00 0.00 O ATOM 345 CG2 THR A 22 38.413 39.765 14.258 1.00 0.00 C ATOM 0 H THR A 22 38.021 42.462 15.053 1.00 0.00 H new ATOM 0 HA THR A 22 38.190 40.362 16.967 1.00 0.00 H new ATOM 0 HB THR A 22 39.966 39.496 15.716 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.741 40.599 13.800 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.931 39.238 13.457 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.747 39.074 14.775 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.830 40.584 13.836 1.00 0.00 H new ATOM 353 N ILE A 23 40.550 40.729 18.060 1.00 0.00 N ATOM 354 CA ILE A 23 41.684 41.096 18.884 1.00 0.00 C ATOM 355 C ILE A 23 42.884 41.470 18.013 1.00 0.00 C ATOM 356 O ILE A 23 43.578 42.448 18.285 1.00 0.00 O ATOM 357 CB ILE A 23 42.022 40.001 19.893 1.00 0.00 C ATOM 358 CG1 ILE A 23 40.828 39.538 20.723 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.142 40.454 20.823 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.017 40.630 21.415 1.00 0.00 C ATOM 0 H ILE A 23 40.344 39.730 18.064 1.00 0.00 H new ATOM 0 HA ILE A 23 41.412 41.978 19.464 1.00 0.00 H new ATOM 0 HB ILE A 23 42.346 39.146 19.300 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.158 38.975 20.073 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.189 38.846 21.484 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.368 39.660 21.534 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.033 40.680 20.237 1.00 0.00 H new ATOM 0 HG23 ILE A 23 42.827 41.347 21.364 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.197 40.177 21.972 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.660 41.182 22.100 1.00 0.00 H new ATOM 0 HD13 ILE A 23 39.613 41.313 20.667 1.00 0.00 H new ATOM 372 N GLU A 24 43.087 40.771 16.900 1.00 0.00 N ATOM 373 CA GLU A 24 44.135 41.081 15.949 1.00 0.00 C ATOM 374 C GLU A 24 43.949 42.456 15.304 1.00 0.00 C ATOM 375 O GLU A 24 44.935 43.117 14.989 1.00 0.00 O ATOM 376 CB GLU A 24 44.263 40.003 14.875 1.00 0.00 C ATOM 377 CG GLU A 24 44.280 38.564 15.385 1.00 0.00 C ATOM 378 CD GLU A 24 42.866 38.000 15.535 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.308 38.005 16.653 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.288 37.542 14.525 1.00 0.00 O ATOM 0 H GLU A 24 42.519 39.966 16.636 1.00 0.00 H new ATOM 0 HA GLU A 24 45.063 41.107 16.520 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.434 40.112 14.175 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.180 40.182 14.313 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.849 37.940 14.696 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.791 38.525 16.347 1.00 0.00 H new ATOM 387 N ASN A 25 42.715 42.937 15.181 1.00 0.00 N ATOM 388 CA ASN A 25 42.403 44.292 14.774 1.00 0.00 C ATOM 389 C ASN A 25 42.931 45.339 15.757 1.00 0.00 C ATOM 390 O ASN A 25 43.442 46.371 15.326 1.00 0.00 O ATOM 391 CB ASN A 25 40.894 44.387 14.573 1.00 0.00 C ATOM 392 CG ASN A 25 40.426 45.769 14.115 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.026 46.607 14.920 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.462 46.027 12.810 1.00 0.00 N ATOM 0 H ASN A 25 41.885 42.374 15.368 1.00 0.00 H new ATOM 0 HA ASN A 25 42.911 44.516 13.836 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.586 43.645 13.836 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.394 44.134 15.508 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.154 46.935 12.461 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.798 45.317 12.159 1.00 0.00 H new ATOM 401 N VAL A 26 42.906 45.073 17.060 1.00 0.00 N ATOM 402 CA VAL A 26 43.521 45.928 18.056 1.00 0.00 C ATOM 403 C VAL A 26 45.038 45.958 17.862 1.00 0.00 C ATOM 404 O VAL A 26 45.636 47.029 17.806 1.00 0.00 O ATOM 405 CB VAL A 26 43.203 45.503 19.487 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.677 46.547 20.492 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.714 45.283 19.741 1.00 0.00 C ATOM 0 H VAL A 26 42.452 44.248 17.452 1.00 0.00 H new ATOM 0 HA VAL A 26 43.100 46.923 17.911 1.00 0.00 H new ATOM 0 HB VAL A 26 43.730 44.557 19.616 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.436 46.215 21.502 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.755 46.677 20.400 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.179 47.496 20.293 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.562 44.983 20.778 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.171 46.208 19.548 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.344 44.500 19.079 1.00 0.00 H new ATOM 417 N LYS A 27 45.657 44.793 17.695 1.00 0.00 N ATOM 418 CA LYS A 27 47.086 44.654 17.499 1.00 0.00 C ATOM 419 C LYS A 27 47.554 45.334 16.209 1.00 0.00 C ATOM 420 O LYS A 27 48.620 45.944 16.195 1.00 0.00 O ATOM 421 CB LYS A 27 47.469 43.177 17.531 1.00 0.00 C ATOM 422 CG LYS A 27 47.187 42.504 18.872 1.00 0.00 C ATOM 423 CD LYS A 27 47.316 40.985 18.804 1.00 0.00 C ATOM 424 CE LYS A 27 48.759 40.504 18.683 1.00 0.00 C ATOM 425 NZ LYS A 27 48.807 39.147 18.118 1.00 0.00 N ATOM 0 H LYS A 27 45.162 43.901 17.693 1.00 0.00 H new ATOM 0 HA LYS A 27 47.597 45.163 18.316 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.923 42.651 16.748 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.530 43.080 17.301 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.878 42.891 19.621 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.181 42.765 19.201 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.869 40.550 19.698 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.746 40.617 17.951 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.324 41.188 18.049 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.234 40.512 19.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.751 38.739 18.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.091 38.552 18.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.614 39.189 17.097 1.00 0.00 H new ATOM 439 N ALA A 28 46.735 45.322 15.162 1.00 0.00 N ATOM 440 CA ALA A 28 46.983 46.016 13.915 1.00 0.00 C ATOM 441 C ALA A 28 46.876 47.537 14.034 1.00 0.00 C ATOM 442 O ALA A 28 47.660 48.252 13.415 1.00 0.00 O ATOM 443 CB ALA A 28 46.024 45.477 12.858 1.00 0.00 C ATOM 0 H ALA A 28 45.853 44.810 15.164 1.00 0.00 H new ATOM 0 HA ALA A 28 48.015 45.824 13.623 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.199 45.990 11.913 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.191 44.408 12.727 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.996 45.647 13.179 1.00 0.00 H new ATOM 449 N LYS A 29 45.966 48.057 14.854 1.00 0.00 N ATOM 450 CA LYS A 29 45.887 49.471 15.164 1.00 0.00 C ATOM 451 C LYS A 29 47.098 49.935 15.976 1.00 0.00 C ATOM 452 O LYS A 29 47.663 50.988 15.687 1.00 0.00 O ATOM 453 CB LYS A 29 44.568 49.782 15.865 1.00 0.00 C ATOM 454 CG LYS A 29 43.393 49.727 14.894 1.00 0.00 C ATOM 455 CD LYS A 29 42.046 49.797 15.609 1.00 0.00 C ATOM 456 CE LYS A 29 40.884 49.697 14.623 1.00 0.00 C ATOM 457 NZ LYS A 29 40.729 50.911 13.807 1.00 0.00 N ATOM 0 H LYS A 29 45.256 47.496 15.325 1.00 0.00 H new ATOM 0 HA LYS A 29 45.909 50.034 14.231 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.407 49.069 16.673 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.620 50.772 16.319 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.470 50.553 14.187 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.447 48.805 14.314 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.977 48.989 16.338 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.975 50.733 16.163 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.041 48.841 13.967 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.961 49.513 15.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.907 50.805 13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.585 51.732 14.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.585 51.056 13.235 1.00 0.00 H new ATOM 471 N ILE A 30 47.554 49.124 16.927 1.00 0.00 N ATOM 472 CA ILE A 30 48.784 49.339 17.662 1.00 0.00 C ATOM 473 C ILE A 30 49.997 49.315 16.729 1.00 0.00 C ATOM 474 O ILE A 30 50.882 50.158 16.861 1.00 0.00 O ATOM 475 CB ILE A 30 48.889 48.340 18.810 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.825 48.634 19.864 1.00 0.00 C ATOM 477 CG2 ILE A 30 50.273 48.337 19.450 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.618 47.510 20.874 1.00 0.00 C ATOM 0 H ILE A 30 47.060 48.278 17.211 1.00 0.00 H new ATOM 0 HA ILE A 30 48.769 50.335 18.105 1.00 0.00 H new ATOM 0 HB ILE A 30 48.723 47.348 18.390 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.101 49.542 20.400 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.879 48.835 19.362 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.297 47.610 20.262 1.00 0.00 H new ATOM 0 HG22 ILE A 30 51.019 48.070 18.702 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.493 49.329 19.845 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.846 47.799 21.587 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.309 46.604 20.352 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.551 47.322 21.406 1.00 0.00 H new ATOM 490 N GLN A 31 50.045 48.406 15.759 1.00 0.00 N ATOM 491 CA GLN A 31 51.116 48.344 14.786 1.00 0.00 C ATOM 492 C GLN A 31 51.204 49.625 13.954 1.00 0.00 C ATOM 493 O GLN A 31 52.295 50.167 13.799 1.00 0.00 O ATOM 494 CB GLN A 31 50.937 47.110 13.906 1.00 0.00 C ATOM 495 CG GLN A 31 52.081 46.934 12.911 1.00 0.00 C ATOM 496 CD GLN A 31 51.911 45.734 11.978 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.844 45.139 11.829 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.970 45.345 11.274 1.00 0.00 N ATOM 0 H GLN A 31 49.332 47.688 15.631 1.00 0.00 H new ATOM 0 HA GLN A 31 52.064 48.259 15.318 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.868 46.224 14.537 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.995 47.188 13.363 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.170 47.839 12.310 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.015 46.824 13.462 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.862 45.827 11.386 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.890 44.564 10.622 1.00 0.00 H new ATOM 507 N ASP A 32 50.086 50.133 13.441 1.00 0.00 N ATOM 508 CA ASP A 32 50.057 51.369 12.684 1.00 0.00 C ATOM 509 C ASP A 32 50.438 52.586 13.527 1.00 0.00 C ATOM 510 O ASP A 32 51.237 53.407 13.080 1.00 0.00 O ATOM 511 CB ASP A 32 48.682 51.529 12.041 1.00 0.00 C ATOM 512 CG ASP A 32 48.552 52.809 11.215 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.988 53.803 11.721 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.979 52.833 10.039 1.00 0.00 O ATOM 0 H ASP A 32 49.172 49.691 13.543 1.00 0.00 H new ATOM 0 HA ASP A 32 50.814 51.311 11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.484 50.669 11.401 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.920 51.528 12.821 1.00 0.00 H new ATOM 519 N LYS A 33 49.910 52.709 14.742 1.00 0.00 N ATOM 520 CA LYS A 33 50.109 53.870 15.587 1.00 0.00 C ATOM 521 C LYS A 33 51.481 53.922 16.264 1.00 0.00 C ATOM 522 O LYS A 33 52.049 55.009 16.337 1.00 0.00 O ATOM 523 CB LYS A 33 48.979 53.984 16.606 1.00 0.00 C ATOM 524 CG LYS A 33 47.664 54.373 15.935 1.00 0.00 C ATOM 525 CD LYS A 33 46.552 54.577 16.960 1.00 0.00 C ATOM 526 CE LYS A 33 45.196 54.835 16.310 1.00 0.00 C ATOM 527 NZ LYS A 33 45.195 56.040 15.466 1.00 0.00 N ATOM 0 H LYS A 33 49.324 51.991 15.168 1.00 0.00 H new ATOM 0 HA LYS A 33 50.086 54.737 14.927 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.857 53.033 17.125 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.239 54.728 17.359 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.804 55.289 15.361 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.371 53.596 15.229 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.484 53.695 17.597 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.807 55.417 17.605 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.917 53.972 15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.438 54.939 17.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.235 56.209 15.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.501 56.859 16.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.848 55.906 14.668 1.00 0.00 H new ATOM 541 N GLU A 34 52.019 52.798 16.728 1.00 0.00 N ATOM 542 CA GLU A 34 53.247 52.733 17.495 1.00 0.00 C ATOM 543 C GLU A 34 54.423 52.053 16.791 1.00 0.00 C ATOM 544 O GLU A 34 55.541 52.155 17.292 1.00 0.00 O ATOM 545 CB GLU A 34 52.988 52.074 18.846 1.00 0.00 C ATOM 546 CG GLU A 34 52.235 52.952 19.841 1.00 0.00 C ATOM 547 CD GLU A 34 53.062 54.161 20.285 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.101 53.997 20.961 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.697 55.310 19.956 1.00 0.00 O ATOM 0 H GLU A 34 51.596 51.883 16.573 1.00 0.00 H new ATOM 0 HA GLU A 34 53.557 53.770 17.624 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.420 51.157 18.687 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.943 51.785 19.285 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.305 53.296 19.388 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.964 52.359 20.714 1.00 0.00 H new ATOM 556 N GLY A 35 54.232 51.379 15.661 1.00 0.00 N ATOM 557 CA GLY A 35 55.303 50.743 14.921 1.00 0.00 C ATOM 558 C GLY A 35 55.835 49.447 15.537 1.00 0.00 C ATOM 559 O GLY A 35 57.033 49.184 15.466 1.00 0.00 O ATOM 0 H GLY A 35 53.314 51.261 15.232 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.950 50.530 13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.129 51.449 14.828 1.00 0.00 H new ATOM 563 N ILE A 36 54.960 48.669 16.168 1.00 0.00 N ATOM 564 CA ILE A 36 55.284 47.456 16.890 1.00 0.00 C ATOM 565 C ILE A 36 54.722 46.246 16.142 1.00 0.00 C ATOM 566 O ILE A 36 53.500 46.145 16.061 1.00 0.00 O ATOM 567 CB ILE A 36 54.753 47.550 18.318 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.348 48.742 19.061 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.040 46.260 19.083 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.725 49.021 20.426 1.00 0.00 C ATOM 0 H ILE A 36 53.963 48.882 16.187 1.00 0.00 H new ATOM 0 HA ILE A 36 56.365 47.332 16.950 1.00 0.00 H new ATOM 0 HB ILE A 36 53.674 47.696 18.257 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.417 48.573 19.193 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.240 49.631 18.439 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.654 46.346 20.099 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.555 45.423 18.580 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.116 46.089 19.117 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.212 49.885 20.878 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.661 49.225 20.305 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.857 48.152 21.071 1.00 0.00 H new ATOM 582 N PRO A 37 55.531 45.324 15.627 1.00 0.00 N ATOM 583 CA PRO A 37 55.052 44.161 14.907 1.00 0.00 C ATOM 584 C PRO A 37 54.083 43.306 15.725 1.00 0.00 C ATOM 585 O PRO A 37 54.316 43.113 16.917 1.00 0.00 O ATOM 586 CB PRO A 37 56.284 43.361 14.495 1.00 0.00 C ATOM 587 CG PRO A 37 57.404 44.399 14.488 1.00 0.00 C ATOM 588 CD PRO A 37 56.979 45.368 15.588 1.00 0.00 C ATOM 0 HA PRO A 37 54.477 44.481 14.038 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.491 42.554 15.198 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.155 42.904 13.514 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.374 43.948 14.699 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.488 44.896 13.522 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.403 45.077 16.549 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.332 46.377 15.376 1.00 0.00 H new ATOM 596 N PRO A 38 53.012 42.783 15.137 1.00 0.00 N ATOM 597 CA PRO A 38 51.898 42.222 15.877 1.00 0.00 C ATOM 598 C PRO A 38 52.265 40.930 16.609 1.00 0.00 C ATOM 599 O PRO A 38 51.738 40.660 17.686 1.00 0.00 O ATOM 600 CB PRO A 38 50.804 41.999 14.837 1.00 0.00 C ATOM 601 CG PRO A 38 51.581 41.736 13.551 1.00 0.00 C ATOM 602 CD PRO A 38 52.772 42.677 13.712 1.00 0.00 C ATOM 0 HA PRO A 38 51.574 42.895 16.671 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.167 41.155 15.100 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.156 42.871 14.743 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.891 40.694 13.466 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.993 41.968 12.663 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.650 42.286 13.197 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.558 43.654 13.279 1.00 0.00 H new ATOM 610 N ASP A 39 53.222 40.175 16.078 1.00 0.00 N ATOM 611 CA ASP A 39 53.724 38.945 16.657 1.00 0.00 C ATOM 612 C ASP A 39 54.602 39.168 17.890 1.00 0.00 C ATOM 613 O ASP A 39 54.900 38.215 18.608 1.00 0.00 O ATOM 614 CB ASP A 39 54.469 38.177 15.569 1.00 0.00 C ATOM 615 CG ASP A 39 55.725 38.911 15.095 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.610 39.928 14.379 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.838 38.452 15.430 1.00 0.00 O ATOM 0 H ASP A 39 53.682 40.417 15.201 1.00 0.00 H new ATOM 0 HA ASP A 39 52.877 38.363 17.020 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.747 37.193 15.948 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.804 38.016 14.721 1.00 0.00 H new ATOM 622 N GLN A 40 55.028 40.400 18.151 1.00 0.00 N ATOM 623 CA GLN A 40 55.787 40.785 19.324 1.00 0.00 C ATOM 624 C GLN A 40 54.905 41.275 20.474 1.00 0.00 C ATOM 625 O GLN A 40 55.396 41.426 21.590 1.00 0.00 O ATOM 626 CB GLN A 40 56.820 41.841 18.942 1.00 0.00 C ATOM 627 CG GLN A 40 57.783 41.361 17.859 1.00 0.00 C ATOM 628 CD GLN A 40 58.935 42.331 17.584 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.006 43.444 18.098 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.890 41.933 16.749 1.00 0.00 N ATOM 0 H GLN A 40 54.844 41.183 17.524 1.00 0.00 H new ATOM 0 HA GLN A 40 56.293 39.892 19.692 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.306 42.737 18.594 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.388 42.124 19.828 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.195 40.396 18.154 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.226 41.201 16.936 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.838 41.010 16.318 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.674 42.551 16.540 1.00 0.00 H new ATOM 639 N GLN A 41 53.622 41.520 20.220 1.00 0.00 N ATOM 640 CA GLN A 41 52.675 42.073 21.167 1.00 0.00 C ATOM 641 C GLN A 41 52.020 40.981 22.014 1.00 0.00 C ATOM 642 O GLN A 41 51.593 39.956 21.488 1.00 0.00 O ATOM 643 CB GLN A 41 51.601 42.880 20.444 1.00 0.00 C ATOM 644 CG GLN A 41 52.093 44.031 19.572 1.00 0.00 C ATOM 645 CD GLN A 41 50.945 44.752 18.862 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.810 44.781 19.334 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.157 45.365 17.700 1.00 0.00 N ATOM 0 H GLN A 41 53.203 41.329 19.310 1.00 0.00 H new ATOM 0 HA GLN A 41 53.231 42.732 21.834 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.024 42.199 19.818 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.917 43.284 21.190 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.640 44.743 20.189 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.793 43.648 18.830 1.00 0.00 H new ATOM 0 HE21 GLN A 41 52.088 45.359 17.282 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.389 45.841 17.227 1.00 0.00 H new ATOM 656 N ARG A 42 51.859 41.244 23.309 1.00 0.00 N ATOM 657 CA ARG A 42 50.983 40.557 24.235 1.00 0.00 C ATOM 658 C ARG A 42 50.005 41.577 24.820 1.00 0.00 C ATOM 659 O ARG A 42 50.442 42.559 25.417 1.00 0.00 O ATOM 660 CB ARG A 42 51.784 39.930 25.373 1.00 0.00 C ATOM 661 CG ARG A 42 52.815 38.878 24.969 1.00 0.00 C ATOM 662 CD ARG A 42 53.523 38.371 26.223 1.00 0.00 C ATOM 663 NE ARG A 42 54.553 37.367 25.951 1.00 0.00 N ATOM 664 CZ ARG A 42 54.365 36.106 25.541 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.159 35.582 25.280 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.417 35.296 25.370 1.00 0.00 N ATOM 0 H ARG A 42 52.377 41.996 23.763 1.00 0.00 H new ATOM 0 HA ARG A 42 50.452 39.766 23.706 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.299 40.727 25.910 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.085 39.474 26.074 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.327 38.052 24.452 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.538 39.306 24.275 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.979 39.216 26.739 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.783 37.945 26.901 1.00 0.00 H new ATOM 0 HE ARG A 42 55.520 37.660 26.089 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.320 36.152 25.391 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.080 34.613 24.970 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.360 35.640 25.552 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.276 34.335 25.058 1.00 0.00 H new ATOM 680 N LEU A 43 48.699 41.374 24.669 1.00 0.00 N ATOM 681 CA LEU A 43 47.688 42.170 25.335 1.00 0.00 C ATOM 682 C LEU A 43 47.236 41.497 26.633 1.00 0.00 C ATOM 683 O LEU A 43 47.049 40.283 26.670 1.00 0.00 O ATOM 684 CB LEU A 43 46.523 42.452 24.389 1.00 0.00 C ATOM 685 CG LEU A 43 46.865 43.269 23.147 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.613 43.454 22.294 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.412 44.654 23.480 1.00 0.00 C ATOM 0 H LEU A 43 48.315 40.642 24.072 1.00 0.00 H new ATOM 0 HA LEU A 43 48.119 43.132 25.611 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.099 41.500 24.070 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.746 42.977 24.945 1.00 0.00 H new ATOM 0 HG LEU A 43 47.637 42.714 22.614 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.860 44.038 21.407 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.231 42.479 21.992 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.852 43.978 22.873 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.637 45.188 22.557 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.669 45.212 24.050 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.322 44.553 24.072 1.00 0.00 H new ATOM 699 N ILE A 44 47.066 42.278 27.696 1.00 0.00 N ATOM 700 CA ILE A 44 46.642 41.830 29.008 1.00 0.00 C ATOM 701 C ILE A 44 45.396 42.603 29.443 1.00 0.00 C ATOM 702 O ILE A 44 45.312 43.817 29.266 1.00 0.00 O ATOM 703 CB ILE A 44 47.800 41.895 30.000 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.872 40.870 29.642 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.342 41.682 31.439 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.146 40.960 30.477 1.00 0.00 C ATOM 0 H ILE A 44 47.229 43.284 27.659 1.00 0.00 H new ATOM 0 HA ILE A 44 46.352 40.780 28.972 1.00 0.00 H new ATOM 0 HB ILE A 44 48.219 42.899 29.931 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.451 39.871 29.753 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.134 40.991 28.591 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.202 41.737 32.106 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.622 42.454 31.710 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.874 40.702 31.531 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.849 40.193 30.152 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.597 41.944 30.348 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.903 40.807 31.529 1.00 0.00 H new ATOM 718 N PHE A 45 44.421 41.889 29.999 1.00 0.00 N ATOM 719 CA PHE A 45 43.140 42.415 30.424 1.00 0.00 C ATOM 720 C PHE A 45 42.588 41.656 31.632 1.00 0.00 C ATOM 721 O PHE A 45 42.447 40.435 31.577 1.00 0.00 O ATOM 722 CB PHE A 45 42.162 42.314 29.257 1.00 0.00 C ATOM 723 CG PHE A 45 40.778 42.851 29.538 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.606 44.176 29.954 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.662 42.016 29.409 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.324 44.659 30.243 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.378 42.500 29.687 1.00 0.00 C ATOM 728 CZ PHE A 45 38.208 43.825 30.108 1.00 0.00 C ATOM 0 H PHE A 45 44.512 40.888 30.170 1.00 0.00 H new ATOM 0 HA PHE A 45 43.272 43.454 30.725 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.579 42.852 28.405 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.077 41.268 28.963 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.463 44.826 30.052 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.792 40.992 29.093 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.196 45.680 30.572 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.520 41.853 29.577 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.220 44.202 30.328 1.00 0.00 H new ATOM 738 N ALA A 46 42.230 42.372 32.695 1.00 0.00 N ATOM 739 CA ALA A 46 41.462 41.898 33.829 1.00 0.00 C ATOM 740 C ALA A 46 41.870 40.523 34.360 1.00 0.00 C ATOM 741 O ALA A 46 41.028 39.648 34.552 1.00 0.00 O ATOM 742 CB ALA A 46 39.981 42.045 33.492 1.00 0.00 C ATOM 0 H ALA A 46 42.486 43.355 32.787 1.00 0.00 H new ATOM 0 HA ALA A 46 41.691 42.524 34.692 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.380 41.694 34.331 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.755 43.093 33.297 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.749 41.453 32.607 1.00 0.00 H new ATOM 748 N GLY A 47 43.162 40.302 34.585 1.00 0.00 N ATOM 749 CA GLY A 47 43.702 39.072 35.129 1.00 0.00 C ATOM 750 C GLY A 47 44.029 37.961 34.130 1.00 0.00 C ATOM 751 O GLY A 47 44.366 36.863 34.567 1.00 0.00 O ATOM 0 H GLY A 47 43.879 40.999 34.386 1.00 0.00 H new ATOM 0 HA2 GLY A 47 44.612 39.314 35.678 1.00 0.00 H new ATOM 0 HA3 GLY A 47 42.988 38.679 35.853 1.00 0.00 H new ATOM 755 N LYS A 48 43.956 38.209 32.824 1.00 0.00 N ATOM 756 CA LYS A 48 44.301 37.278 31.770 1.00 0.00 C ATOM 757 C LYS A 48 45.173 37.913 30.686 1.00 0.00 C ATOM 758 O LYS A 48 45.112 39.120 30.463 1.00 0.00 O ATOM 759 CB LYS A 48 43.032 36.731 31.123 1.00 0.00 C ATOM 760 CG LYS A 48 42.318 35.676 31.964 1.00 0.00 C ATOM 761 CD LYS A 48 41.008 35.280 31.288 1.00 0.00 C ATOM 762 CE LYS A 48 40.379 34.078 31.985 1.00 0.00 C ATOM 763 NZ LYS A 48 38.972 33.925 31.582 1.00 0.00 N ATOM 0 H LYS A 48 43.639 39.109 32.463 1.00 0.00 H new ATOM 0 HA LYS A 48 44.874 36.476 32.234 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.346 37.557 30.934 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.286 36.300 30.155 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.956 34.800 32.084 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.120 36.066 32.962 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.315 36.121 31.308 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.192 35.043 30.240 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.935 33.174 31.736 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.442 34.203 33.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.560 33.102 32.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.441 34.781 31.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.919 33.784 30.553 1.00 0.00 H new ATOM 777 N GLN A 49 45.914 37.083 29.957 1.00 0.00 N ATOM 778 CA GLN A 49 46.550 37.459 28.709 1.00 0.00 C ATOM 779 C GLN A 49 45.652 37.061 27.536 1.00 0.00 C ATOM 780 O GLN A 49 45.157 35.939 27.475 1.00 0.00 O ATOM 781 CB GLN A 49 47.936 36.828 28.628 1.00 0.00 C ATOM 782 CG GLN A 49 48.821 37.505 27.586 1.00 0.00 C ATOM 783 CD GLN A 49 50.199 36.851 27.452 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.645 36.526 26.354 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.940 36.667 28.541 1.00 0.00 N ATOM 0 H GLN A 49 46.089 36.115 30.226 1.00 0.00 H new ATOM 0 HA GLN A 49 46.685 38.540 28.662 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.417 36.888 29.604 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.837 35.770 28.385 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.318 37.480 26.619 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.948 38.554 27.852 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.577 36.934 29.456 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.871 36.259 28.461 1.00 0.00 H new ATOM 794 N LEU A 50 45.453 37.972 26.588 1.00 0.00 N ATOM 795 CA LEU A 50 44.679 37.730 25.387 1.00 0.00 C ATOM 796 C LEU A 50 45.473 36.907 24.369 1.00 0.00 C ATOM 797 O LEU A 50 46.694 37.012 24.276 1.00 0.00 O ATOM 798 CB LEU A 50 44.202 39.039 24.764 1.00 0.00 C ATOM 799 CG LEU A 50 43.482 40.028 25.676 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.934 41.189 24.850 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.299 39.398 26.406 1.00 0.00 C ATOM 0 H LEU A 50 45.835 38.916 26.640 1.00 0.00 H new ATOM 0 HA LEU A 50 43.801 37.152 25.677 1.00 0.00 H new ATOM 0 HB2 LEU A 50 45.068 39.544 24.336 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.535 38.795 23.937 1.00 0.00 H new ATOM 0 HG LEU A 50 44.217 40.361 26.409 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.421 41.892 25.506 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.756 41.697 24.346 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.233 40.808 24.107 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.823 40.146 27.041 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.577 39.028 25.678 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.650 38.570 27.022 1.00 0.00 H new ATOM 813 N GLU A 51 44.752 36.107 23.590 1.00 0.00 N ATOM 814 CA GLU A 51 45.241 35.319 22.476 1.00 0.00 C ATOM 815 C GLU A 51 44.560 35.762 21.181 1.00 0.00 C ATOM 816 O GLU A 51 43.685 36.625 21.190 1.00 0.00 O ATOM 817 CB GLU A 51 45.033 33.841 22.796 1.00 0.00 C ATOM 818 CG GLU A 51 45.932 33.367 23.934 1.00 0.00 C ATOM 819 CD GLU A 51 45.409 32.067 24.546 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.781 30.966 24.085 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.646 32.137 25.533 1.00 0.00 O ATOM 0 H GLU A 51 43.749 35.988 23.733 1.00 0.00 H new ATOM 0 HA GLU A 51 46.309 35.476 22.324 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.990 33.672 23.064 1.00 0.00 H new ATOM 0 HB3 GLU A 51 45.233 33.246 21.905 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.945 33.215 23.562 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.987 34.138 24.703 1.00 0.00 H new ATOM 828 N ASP A 52 44.975 35.220 20.040 1.00 0.00 N ATOM 829 CA ASP A 52 44.477 35.605 18.734 1.00 0.00 C ATOM 830 C ASP A 52 43.318 34.711 18.290 1.00 0.00 C ATOM 831 O ASP A 52 43.152 33.596 18.779 1.00 0.00 O ATOM 832 CB ASP A 52 45.606 35.601 17.707 1.00 0.00 C ATOM 833 CG ASP A 52 46.807 36.478 18.064 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.946 36.083 17.731 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.643 37.563 18.661 1.00 0.00 O ATOM 0 H ASP A 52 45.682 34.486 20.002 1.00 0.00 H new ATOM 0 HA ASP A 52 44.089 36.621 18.808 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.951 34.576 17.572 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.206 35.931 16.748 1.00 0.00 H new ATOM 840 N GLY A 53 42.519 35.187 17.339 1.00 0.00 N ATOM 841 CA GLY A 53 41.436 34.437 16.737 1.00 0.00 C ATOM 842 C GLY A 53 40.102 34.556 17.477 1.00 0.00 C ATOM 843 O GLY A 53 39.316 33.611 17.458 1.00 0.00 O ATOM 0 H GLY A 53 42.615 36.129 16.961 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.300 34.777 15.710 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.720 33.386 16.690 1.00 0.00 H new ATOM 847 N ARG A 54 39.874 35.661 18.181 1.00 0.00 N ATOM 848 CA ARG A 54 38.684 35.985 18.941 1.00 0.00 C ATOM 849 C ARG A 54 38.192 37.399 18.627 1.00 0.00 C ATOM 850 O ARG A 54 38.880 38.159 17.949 1.00 0.00 O ATOM 851 CB ARG A 54 38.953 35.829 20.435 1.00 0.00 C ATOM 852 CG ARG A 54 39.026 34.390 20.936 1.00 0.00 C ATOM 853 CD ARG A 54 40.412 33.758 20.842 1.00 0.00 C ATOM 854 NE ARG A 54 40.400 32.401 21.391 1.00 0.00 N ATOM 855 CZ ARG A 54 41.468 31.605 21.540 1.00 0.00 C ATOM 856 NH1 ARG A 54 42.679 31.900 21.046 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.361 30.444 22.200 1.00 0.00 N ATOM 0 H ARG A 54 40.571 36.404 18.235 1.00 0.00 H new ATOM 0 HA ARG A 54 37.897 35.289 18.651 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.893 36.327 20.672 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.169 36.349 20.985 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.698 34.363 21.975 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.324 33.783 20.364 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.735 33.732 19.801 1.00 0.00 H new ATOM 0 HD3 ARG A 54 41.133 34.369 21.385 1.00 0.00 H new ATOM 0 HE ARG A 54 39.498 32.028 21.687 1.00 0.00 H new ATOM 0 HH11 ARG A 54 42.821 32.767 20.527 1.00 0.00 H new ATOM 0 HH12 ARG A 54 43.458 31.258 21.189 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.463 30.161 22.593 1.00 0.00 H new ATOM 0 HH22 ARG A 54 42.178 29.843 22.310 1.00 0.00 H new ATOM 871 N THR A 55 37.024 37.760 19.152 1.00 0.00 N ATOM 872 CA THR A 55 36.461 39.095 19.139 1.00 0.00 C ATOM 873 C THR A 55 36.418 39.733 20.530 1.00 0.00 C ATOM 874 O THR A 55 36.483 39.041 21.544 1.00 0.00 O ATOM 875 CB THR A 55 35.085 39.151 18.482 1.00 0.00 C ATOM 876 OG1 THR A 55 34.101 38.513 19.265 1.00 0.00 O ATOM 877 CG2 THR A 55 35.053 38.518 17.093 1.00 0.00 C ATOM 0 H THR A 55 36.417 37.088 19.622 1.00 0.00 H new ATOM 0 HA THR A 55 37.143 39.684 18.526 1.00 0.00 H new ATOM 0 HB THR A 55 34.869 40.216 18.392 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.233 37.543 19.229 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.046 38.592 16.683 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.750 39.041 16.439 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.340 37.469 17.165 1.00 0.00 H new ATOM 885 N LEU A 56 36.301 41.055 20.590 1.00 0.00 N ATOM 886 CA LEU A 56 36.266 41.821 21.820 1.00 0.00 C ATOM 887 C LEU A 56 35.167 41.372 22.786 1.00 0.00 C ATOM 888 O LEU A 56 35.398 41.285 23.989 1.00 0.00 O ATOM 889 CB LEU A 56 36.090 43.298 21.479 1.00 0.00 C ATOM 890 CG LEU A 56 37.292 43.942 20.793 1.00 0.00 C ATOM 891 CD1 LEU A 56 36.892 45.330 20.304 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.476 44.127 21.738 1.00 0.00 C ATOM 0 H LEU A 56 36.226 41.636 19.755 1.00 0.00 H new ATOM 0 HA LEU A 56 37.211 41.650 22.335 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.219 43.406 20.833 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.876 43.846 22.397 1.00 0.00 H new ATOM 0 HG LEU A 56 37.590 43.280 19.980 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.743 45.801 19.812 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.066 45.243 19.598 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.581 45.939 21.153 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.303 44.589 21.199 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.182 44.768 22.569 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.790 43.156 22.122 1.00 0.00 H new ATOM 904 N SER A 57 33.989 41.044 22.262 1.00 0.00 N ATOM 905 CA SER A 57 32.881 40.512 23.030 1.00 0.00 C ATOM 906 C SER A 57 33.156 39.135 23.636 1.00 0.00 C ATOM 907 O SER A 57 32.685 38.880 24.742 1.00 0.00 O ATOM 908 CB SER A 57 31.607 40.455 22.190 1.00 0.00 C ATOM 909 OG SER A 57 31.819 39.773 20.975 1.00 0.00 O ATOM 0 H SER A 57 33.780 41.145 21.269 1.00 0.00 H new ATOM 0 HA SER A 57 32.747 41.205 23.861 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.819 39.957 22.755 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.260 41.468 21.984 1.00 0.00 H new ATOM 0 HG SER A 57 32.177 40.396 20.308 1.00 0.00 H new ATOM 915 N ASP A 58 33.938 38.284 22.979 1.00 0.00 N ATOM 916 CA ASP A 58 34.320 36.985 23.496 1.00 0.00 C ATOM 917 C ASP A 58 35.203 37.096 24.741 1.00 0.00 C ATOM 918 O ASP A 58 35.094 36.274 25.647 1.00 0.00 O ATOM 919 CB ASP A 58 35.066 36.153 22.457 1.00 0.00 C ATOM 920 CG ASP A 58 34.299 35.944 21.149 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.099 35.600 21.201 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.895 36.144 20.069 1.00 0.00 O ATOM 0 H ASP A 58 34.328 38.486 22.058 1.00 0.00 H new ATOM 0 HA ASP A 58 33.384 36.491 23.757 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.016 36.638 22.234 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.299 35.179 22.888 1.00 0.00 H new ATOM 927 N TYR A 59 36.032 38.135 24.802 1.00 0.00 N ATOM 928 CA TYR A 59 36.908 38.449 25.914 1.00 0.00 C ATOM 929 C TYR A 59 36.289 39.379 26.960 1.00 0.00 C ATOM 930 O TYR A 59 36.995 39.813 27.867 1.00 0.00 O ATOM 931 CB TYR A 59 38.250 38.940 25.380 1.00 0.00 C ATOM 932 CG TYR A 59 39.235 37.827 25.114 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.736 37.097 26.198 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.708 37.576 23.820 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.716 36.116 25.998 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.705 36.615 23.609 1.00 0.00 C ATOM 937 CZ TYR A 59 41.204 35.874 24.699 1.00 0.00 C ATOM 938 OH TYR A 59 42.184 34.946 24.504 1.00 0.00 O ATOM 0 H TYR A 59 36.111 38.808 24.040 1.00 0.00 H new ATOM 0 HA TYR A 59 37.074 37.529 26.474 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.084 39.496 24.457 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.685 39.636 26.097 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.365 37.291 27.194 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.303 38.125 22.983 1.00 0.00 H new ATOM 0 HE1 TYR A 59 41.095 35.549 26.835 1.00 0.00 H new ATOM 0 HE2 TYR A 59 41.090 36.443 22.615 1.00 0.00 H new ATOM 0 HH TYR A 59 41.919 34.337 23.784 1.00 0.00 H new ATOM 948 N ASN A 60 34.988 39.648 26.907 1.00 0.00 N ATOM 949 CA ASN A 60 34.274 40.440 27.889 1.00 0.00 C ATOM 950 C ASN A 60 34.827 41.856 28.073 1.00 0.00 C ATOM 951 O ASN A 60 34.821 42.388 29.181 1.00 0.00 O ATOM 952 CB ASN A 60 34.111 39.647 29.182 1.00 0.00 C ATOM 953 CG ASN A 60 33.392 38.311 28.984 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.484 38.181 28.166 1.00 0.00 O ATOM 955 ND2 ASN A 60 33.734 37.286 29.759 1.00 0.00 N ATOM 0 H ASN A 60 34.388 39.308 26.155 1.00 0.00 H new ATOM 0 HA ASN A 60 33.274 40.629 27.500 1.00 0.00 H new ATOM 0 HB2 ASN A 60 35.095 39.462 29.614 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.555 40.248 29.902 1.00 0.00 H new ATOM 0 HD21 ASN A 60 33.243 36.396 29.673 1.00 0.00 H new ATOM 0 HD22 ASN A 60 34.487 37.390 30.439 1.00 0.00 H new ATOM 962 N ILE A 61 35.309 42.468 26.995 1.00 0.00 N ATOM 963 CA ILE A 61 35.783 43.837 26.970 1.00 0.00 C ATOM 964 C ILE A 61 34.584 44.774 26.813 1.00 0.00 C ATOM 965 O ILE A 61 33.604 44.440 26.150 1.00 0.00 O ATOM 966 CB ILE A 61 36.859 43.995 25.899 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.095 43.175 26.253 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.252 45.454 25.686 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.005 42.878 25.064 1.00 0.00 C ATOM 0 H ILE A 61 35.380 42.005 26.089 1.00 0.00 H new ATOM 0 HA ILE A 61 36.267 44.110 27.908 1.00 0.00 H new ATOM 0 HB ILE A 61 36.433 43.625 24.966 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.668 43.709 27.011 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.778 42.232 26.699 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.020 45.515 24.915 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.377 46.024 25.373 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.640 45.866 26.618 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.861 42.291 25.398 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.450 42.315 24.313 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.355 43.815 24.630 1.00 0.00 H new ATOM 981 N GLN A 62 34.635 45.939 27.452 1.00 0.00 N ATOM 982 CA GLN A 62 33.519 46.843 27.644 1.00 0.00 C ATOM 983 C GLN A 62 33.855 48.296 27.305 1.00 0.00 C ATOM 984 O GLN A 62 35.002 48.650 27.044 1.00 0.00 O ATOM 985 CB GLN A 62 33.034 46.733 29.087 1.00 0.00 C ATOM 986 CG GLN A 62 32.441 45.370 29.432 1.00 0.00 C ATOM 987 CD GLN A 62 31.499 45.492 30.631 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.866 45.296 31.787 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.248 45.878 30.404 1.00 0.00 N ATOM 0 H GLN A 62 35.498 46.289 27.867 1.00 0.00 H new ATOM 0 HA GLN A 62 32.732 46.545 26.951 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.868 46.937 29.758 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.284 47.502 29.269 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.899 44.973 28.573 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.240 44.664 29.658 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.931 46.044 29.449 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.605 46.008 31.185 1.00 0.00 H new ATOM 998 N LYS A 63 32.849 49.165 27.352 1.00 0.00 N ATOM 999 CA LYS A 63 33.027 50.596 27.203 1.00 0.00 C ATOM 1000 C LYS A 63 33.908 51.147 28.325 1.00 0.00 C ATOM 1001 O LYS A 63 33.660 50.887 29.501 1.00 0.00 O ATOM 1002 CB LYS A 63 31.660 51.272 27.137 1.00 0.00 C ATOM 1003 CG LYS A 63 31.752 52.789 26.999 1.00 0.00 C ATOM 1004 CD LYS A 63 30.420 53.437 26.631 1.00 0.00 C ATOM 1005 CE LYS A 63 29.305 53.299 27.664 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.525 54.153 28.840 1.00 0.00 N ATOM 0 H LYS A 63 31.878 48.886 27.496 1.00 0.00 H new ATOM 0 HA LYS A 63 33.547 50.812 26.270 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.102 50.869 26.292 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.096 51.028 28.037 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.109 53.213 27.938 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.492 53.035 26.237 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.592 54.498 26.450 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.075 53.005 25.692 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.352 53.558 27.203 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.234 52.259 27.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.743 54.025 29.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.421 53.890 29.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.567 55.149 28.543 1.00 0.00 H new ATOM 1020 N GLU A 64 34.937 51.899 27.944 1.00 0.00 N ATOM 1021 CA GLU A 64 35.964 52.456 28.800 1.00 0.00 C ATOM 1022 C GLU A 64 36.785 51.422 29.574 1.00 0.00 C ATOM 1023 O GLU A 64 37.358 51.748 30.612 1.00 0.00 O ATOM 1024 CB GLU A 64 35.419 53.619 29.623 1.00 0.00 C ATOM 1025 CG GLU A 64 35.064 54.829 28.762 1.00 0.00 C ATOM 1026 CD GLU A 64 34.473 55.968 29.595 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.204 56.918 29.951 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.257 55.934 29.880 1.00 0.00 O ATOM 0 H GLU A 64 35.079 52.148 26.965 1.00 0.00 H new ATOM 0 HA GLU A 64 36.725 52.884 28.148 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.533 53.291 30.167 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.160 53.912 30.367 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.957 55.182 28.246 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.349 54.532 27.995 1.00 0.00 H new ATOM 1035 N SER A 65 36.898 50.194 29.076 1.00 0.00 N ATOM 1036 CA SER A 65 37.871 49.220 29.527 1.00 0.00 C ATOM 1037 C SER A 65 39.309 49.692 29.301 1.00 0.00 C ATOM 1038 O SER A 65 39.597 50.383 28.326 1.00 0.00 O ATOM 1039 CB SER A 65 37.704 47.888 28.802 1.00 0.00 C ATOM 1040 OG SER A 65 36.573 47.181 29.262 1.00 0.00 O ATOM 0 H SER A 65 36.297 49.846 28.329 1.00 0.00 H new ATOM 0 HA SER A 65 37.690 49.097 30.595 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.611 48.066 27.731 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.597 47.280 28.948 1.00 0.00 H new ATOM 0 HG SER A 65 35.790 47.770 29.245 1.00 0.00 H new ATOM 1046 N THR A 66 40.225 49.275 30.169 1.00 0.00 N ATOM 1047 CA THR A 66 41.632 49.622 30.141 1.00 0.00 C ATOM 1048 C THR A 66 42.496 48.361 30.061 1.00 0.00 C ATOM 1049 O THR A 66 42.526 47.555 30.989 1.00 0.00 O ATOM 1050 CB THR A 66 42.011 50.468 31.353 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.183 51.607 31.430 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.444 50.987 31.285 1.00 0.00 C ATOM 0 H THR A 66 39.990 48.657 30.946 1.00 0.00 H new ATOM 0 HA THR A 66 41.817 50.219 29.248 1.00 0.00 H new ATOM 0 HB THR A 66 41.897 49.814 32.217 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.434 52.142 32.212 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.658 51.582 32.173 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.134 50.145 31.238 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.565 51.606 30.396 1.00 0.00 H new ATOM 1060 N LEU A 67 43.214 48.209 28.953 1.00 0.00 N ATOM 1061 CA LEU A 67 44.062 47.079 28.632 1.00 0.00 C ATOM 1062 C LEU A 67 45.539 47.461 28.739 1.00 0.00 C ATOM 1063 O LEU A 67 45.902 48.614 28.517 1.00 0.00 O ATOM 1064 CB LEU A 67 43.745 46.579 27.225 1.00 0.00 C ATOM 1065 CG LEU A 67 42.457 45.780 27.054 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.168 46.582 27.209 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.437 45.160 25.659 1.00 0.00 C ATOM 0 H LEU A 67 43.216 48.915 28.216 1.00 0.00 H new ATOM 0 HA LEU A 67 43.866 46.281 29.348 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.701 47.441 26.560 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.576 45.959 26.889 1.00 0.00 H new ATOM 0 HG LEU A 67 42.472 45.043 27.857 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.311 45.923 27.069 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.130 47.021 28.206 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.141 47.376 26.462 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.519 44.587 25.529 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.481 45.950 24.909 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.297 44.500 25.542 1.00 0.00 H new ATOM 1079 N HIS A 68 46.411 46.494 29.006 1.00 0.00 N ATOM 1080 CA HIS A 68 47.851 46.660 29.009 1.00 0.00 C ATOM 1081 C HIS A 68 48.480 46.049 27.754 1.00 0.00 C ATOM 1082 O HIS A 68 48.155 44.925 27.381 1.00 0.00 O ATOM 1083 CB HIS A 68 48.440 46.047 30.276 1.00 0.00 C ATOM 1084 CG HIS A 68 48.114 46.823 31.521 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.043 46.582 32.380 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.809 47.915 31.977 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.094 47.533 33.315 1.00 0.00 C ATOM 1088 NE2 HIS A 68 48.141 48.349 33.105 1.00 0.00 N ATOM 0 H HIS A 68 46.120 45.543 29.233 1.00 0.00 H new ATOM 0 HA HIS A 68 48.080 47.726 28.999 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.069 45.028 30.384 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.523 45.982 30.170 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.698 48.347 31.542 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.391 47.633 34.128 1.00 0.00 H new ATOM 0 HE2 HIS A 68 48.398 49.151 33.680 1.00 0.00 H new ATOM 1096 N LEU A 69 49.415 46.769 27.139 1.00 0.00 N ATOM 1097 CA LEU A 69 50.290 46.259 26.102 1.00 0.00 C ATOM 1098 C LEU A 69 51.653 45.900 26.697 1.00 0.00 C ATOM 1099 O LEU A 69 52.327 46.754 27.269 1.00 0.00 O ATOM 1100 CB LEU A 69 50.401 47.307 24.999 1.00 0.00 C ATOM 1101 CG LEU A 69 51.423 47.013 23.905 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.110 45.746 23.115 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.481 48.188 22.934 1.00 0.00 C ATOM 0 H LEU A 69 49.585 47.750 27.359 1.00 0.00 H new ATOM 0 HA LEU A 69 49.881 45.346 25.669 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.422 47.423 24.534 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.652 48.264 25.457 1.00 0.00 H new ATOM 0 HG LEU A 69 52.380 46.862 24.405 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.874 45.594 22.353 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.096 44.890 23.790 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.136 45.847 22.636 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.211 47.978 22.152 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.500 48.337 22.484 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.774 49.090 23.471 1.00 0.00 H new ATOM 1115 N VAL A 70 52.078 44.651 26.526 1.00 0.00 N ATOM 1116 CA VAL A 70 53.368 44.119 26.918 1.00 0.00 C ATOM 1117 C VAL A 70 54.052 43.531 25.682 1.00 0.00 C ATOM 1118 O VAL A 70 53.379 43.084 24.755 1.00 0.00 O ATOM 1119 CB VAL A 70 53.174 43.099 28.036 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.441 42.319 28.374 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.709 43.784 29.318 1.00 0.00 C ATOM 0 H VAL A 70 51.490 43.945 26.082 1.00 0.00 H new ATOM 0 HA VAL A 70 54.018 44.901 27.312 1.00 0.00 H new ATOM 0 HB VAL A 70 52.425 42.403 27.659 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.230 41.612 29.177 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.780 41.776 27.492 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.219 43.011 28.695 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.577 43.038 30.102 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.456 44.513 29.633 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.761 44.291 29.136 1.00 0.00 H new ATOM 1131 N LEU A 71 55.381 43.542 25.628 1.00 0.00 N ATOM 1132 CA LEU A 71 56.156 43.071 24.499 1.00 0.00 C ATOM 1133 C LEU A 71 57.004 41.854 24.876 1.00 0.00 C ATOM 1134 O LEU A 71 57.458 41.754 26.014 1.00 0.00 O ATOM 1135 CB LEU A 71 57.001 44.206 23.929 1.00 0.00 C ATOM 1136 CG LEU A 71 56.255 45.493 23.585 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.230 46.524 23.024 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.142 45.279 22.564 1.00 0.00 C ATOM 0 H LEU A 71 55.959 43.890 26.393 1.00 0.00 H new ATOM 0 HA LEU A 71 55.470 42.743 23.718 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.784 44.445 24.649 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.496 43.845 23.027 1.00 0.00 H new ATOM 0 HG LEU A 71 55.801 45.844 24.512 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.691 47.440 22.781 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.997 46.741 23.767 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.699 46.129 22.123 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.648 46.229 22.360 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.566 44.884 21.641 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.415 44.570 22.961 1.00 0.00 H new ATOM 1150 N ARG A 72 57.230 40.934 23.943 1.00 0.00 N ATOM 1151 CA ARG A 72 57.886 39.669 24.208 1.00 0.00 C ATOM 1152 C ARG A 72 59.325 39.758 24.721 1.00 0.00 C ATOM 1153 O ARG A 72 59.778 38.807 25.352 1.00 0.00 O ATOM 1154 CB ARG A 72 57.822 38.764 22.982 1.00 0.00 C ATOM 1155 CG ARG A 72 56.451 38.127 22.776 1.00 0.00 C ATOM 1156 CD ARG A 72 56.505 37.125 21.626 1.00 0.00 C ATOM 1157 NE ARG A 72 55.254 36.375 21.520 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.051 35.066 21.723 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.989 34.230 22.188 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.842 34.556 21.452 1.00 0.00 N ATOM 0 H ARG A 72 56.956 41.054 22.968 1.00 0.00 H new ATOM 0 HA ARG A 72 57.320 39.240 25.035 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.083 39.344 22.097 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.570 37.977 23.080 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.133 37.626 23.690 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.711 38.899 22.562 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.697 37.651 20.691 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.334 36.435 21.780 1.00 0.00 H new ATOM 0 HE ARG A 72 54.431 36.917 21.258 1.00 0.00 H new ATOM 0 HH11 ARG A 72 56.921 34.581 22.409 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.771 33.242 22.321 1.00 0.00 H new ATOM 0 HH21 ARG A 72 53.101 35.161 21.099 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.663 33.563 21.598 1.00 0.00 H new ATOM 1174 N LEU A 73 60.031 40.860 24.486 1.00 0.00 N ATOM 1175 CA LEU A 73 61.354 41.153 25.000 1.00 0.00 C ATOM 1176 C LEU A 73 61.449 42.566 25.578 1.00 0.00 C ATOM 1177 O LEU A 73 61.899 42.736 26.709 1.00 0.00 O ATOM 1178 CB LEU A 73 62.379 40.917 23.894 1.00 0.00 C ATOM 1179 CG LEU A 73 63.807 41.347 24.216 1.00 0.00 C ATOM 1180 CD1 LEU A 73 64.399 40.574 25.390 1.00 0.00 C ATOM 1181 CD2 LEU A 73 64.719 41.141 23.010 1.00 0.00 C ATOM 0 H LEU A 73 59.670 41.611 23.898 1.00 0.00 H new ATOM 0 HA LEU A 73 61.566 40.481 25.831 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.385 39.855 23.649 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.051 41.448 23.000 1.00 0.00 H new ATOM 0 HG LEU A 73 63.750 42.403 24.481 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.416 40.919 25.577 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.790 40.740 26.279 1.00 0.00 H new ATOM 0 HD13 LEU A 73 64.414 39.510 25.154 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.732 41.454 23.262 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.723 40.087 22.733 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.354 41.735 22.172 1.00 0.00 H new ATOM 1193 N ARG A 74 61.083 43.587 24.808 1.00 0.00 N ATOM 1194 CA ARG A 74 61.453 44.962 25.076 1.00 0.00 C ATOM 1195 C ARG A 74 60.632 45.602 26.197 1.00 0.00 C ATOM 1196 O ARG A 74 59.473 45.251 26.413 1.00 0.00 O ATOM 1197 CB ARG A 74 61.428 45.787 23.794 1.00 0.00 C ATOM 1198 CG ARG A 74 62.526 45.324 22.839 1.00 0.00 C ATOM 1199 CD ARG A 74 62.528 46.099 21.526 1.00 0.00 C ATOM 1200 NE ARG A 74 63.472 45.513 20.575 1.00 0.00 N ATOM 1201 CZ ARG A 74 63.347 44.332 19.955 1.00 0.00 C ATOM 1202 NH1 ARG A 74 62.216 43.613 19.982 1.00 0.00 N ATOM 1203 NH2 ARG A 74 64.387 43.814 19.289 1.00 0.00 N ATOM 0 H ARG A 74 60.513 43.474 23.970 1.00 0.00 H new ATOM 0 HA ARG A 74 62.478 44.949 25.447 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.455 45.692 23.312 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.565 46.842 24.031 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.495 45.437 23.324 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.396 44.262 22.629 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.526 46.098 21.097 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.793 47.139 21.714 1.00 0.00 H new ATOM 0 HE ARG A 74 64.308 46.057 20.363 1.00 0.00 H new ATOM 0 HH11 ARG A 74 61.403 43.960 20.490 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.169 42.718 19.494 1.00 0.00 H new ATOM 0 HH21 ARG A 74 65.273 44.319 19.254 1.00 0.00 H new ATOM 0 HH22 ARG A 74 64.293 42.915 18.816 1.00 0.00 H new ATOM 1217 N GLY A 75 61.247 46.530 26.924 1.00 0.00 N ATOM 1218 CA GLY A 75 60.651 47.236 28.040 1.00 0.00 C ATOM 1219 C GLY A 75 60.265 46.367 29.240 1.00 0.00 C ATOM 1220 O GLY A 75 59.457 46.809 30.054 1.00 0.00 O ATOM 0 H GLY A 75 62.208 46.817 26.741 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.350 48.001 28.378 1.00 0.00 H new ATOM 0 HA3 GLY A 75 59.759 47.753 27.686 1.00 0.00 H new ATOM 1224 N GLY A 76 60.794 45.151 29.346 1.00 0.00 N ATOM 1225 CA GLY A 76 60.563 44.226 30.436 1.00 0.00 C ATOM 1226 C GLY A 76 61.211 44.644 31.757 1.00 0.00 C ATOM 1227 O GLY A 76 62.421 44.958 31.750 1.00 0.00 O ATOM 1228 OXT GLY A 76 60.522 44.597 32.799 1.00 0.00 O ATOM 0 H GLY A 76 61.423 44.773 28.638 1.00 0.00 H new ATOM 0 HA2 GLY A 76 59.489 44.121 30.588 1.00 0.00 H new ATOM 0 HA3 GLY A 76 60.942 43.244 30.152 1.00 0.00 H new TER 1232 GLY A 76