USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 577 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 101:sc= 1.06 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.812 USER MOD Set 2.1: A 41 GLN : amide:sc= -1.88! C(o=-0.81!,f=-14!) USER MOD Set 2.2: A 69 SER OG : rot 66:sc= 1.06 USER MOD Set 3.1: A 7 THR OG1 : rot -85:sc= 1.33 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.175! (180deg=-1.48!) USER MOD Single : A 2 GLN : amide:sc= -5.19! C(o=-5.2!,f=-3.6!) USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= -0.959 (180deg=-1.14) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= -0.266 (180deg=-0.603) USER MOD Single : A 12 THR OG1 : rot -157:sc= -2.16! USER MOD Single : A 14 THR OG1 : rot -43:sc= 1.32 USER MOD Single : A 19 SER OG : rot 180:sc= -2.54! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.31) USER MOD Single : A 27 LYS NZ :NH3+ -134:sc= 1.03! (180deg=0.245) USER MOD Single : A 28 SER OG : rot 35:sc= 1.22 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -5.96! C(o=-6!,f=-2.9!) USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= -0.213 (180deg=-0.62) USER MOD Single : A 40 GLN : amide:sc= -3.08! C(o=-3.1!,f=-6.2!) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -0.177 (180deg=-0.454) USER MOD Single : A 49 GLN : amide:sc= -3.88! C(o=-3.9!,f=-2.9!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.87! K(o=-2.9!,f=-0.31) USER MOD Single : A 62 GLN : amide:sc= -2.13 K(o=-2.1,f=-3.6) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0659) USER MOD Single : A 65 SER OG : rot -77:sc= -0.518 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 12.640 4.196 2.973 1.00 0.30 N ATOM 2 CA MET A 1 12.587 3.696 1.581 1.00 0.24 C ATOM 3 C MET A 1 11.652 4.641 0.746 1.00 0.24 C ATOM 4 O MET A 1 11.780 5.838 0.945 1.00 0.42 O ATOM 5 CB MET A 1 12.190 2.183 1.654 1.00 0.26 C ATOM 6 CG MET A 1 13.353 1.203 1.468 1.00 0.37 C ATOM 7 SD MET A 1 14.294 1.516 -0.037 1.00 0.64 S ATOM 8 CE MET A 1 15.431 0.132 -0.019 1.00 1.50 C ATOM 0 H1 MET A 1 13.534 3.899 3.415 1.00 0.30 H new ATOM 0 H2 MET A 1 12.583 5.234 2.971 1.00 0.30 H new ATOM 0 H3 MET A 1 11.841 3.806 3.513 1.00 0.30 H new ATOM 0 HA MET A 1 13.538 3.727 1.049 1.00 0.24 H new ATOM 0 HB2 MET A 1 11.723 1.991 2.620 1.00 0.26 H new ATOM 0 HB3 MET A 1 11.438 1.982 0.891 1.00 0.26 H new ATOM 0 HG2 MET A 1 14.019 1.269 2.328 1.00 0.37 H new ATOM 0 HG3 MET A 1 12.964 0.185 1.443 1.00 0.37 H new ATOM 0 HE1 MET A 1 16.083 0.185 -0.891 1.00 1.50 H new ATOM 0 HE2 MET A 1 16.035 0.169 0.888 1.00 1.50 H new ATOM 0 HE3 MET A 1 14.868 -0.801 -0.043 1.00 1.50 H new ATOM 20 N GLN A 2 10.622 4.196 -0.024 1.00 0.21 N ATOM 21 CA GLN A 2 9.825 5.147 -0.872 1.00 0.25 C ATOM 22 C GLN A 2 8.790 4.352 -1.688 1.00 0.19 C ATOM 23 O GLN A 2 9.180 3.469 -2.458 1.00 0.21 O ATOM 24 CB GLN A 2 10.717 5.892 -1.922 1.00 0.44 C ATOM 25 CG GLN A 2 11.557 7.093 -1.431 1.00 1.00 C ATOM 26 CD GLN A 2 12.999 6.718 -1.133 1.00 2.14 C ATOM 27 OE1 GLN A 2 13.634 7.303 -0.255 1.00 3.00 O ATOM 28 NE2 GLN A 2 13.527 5.747 -1.870 1.00 2.81 N ATOM 0 H GLN A 2 10.326 3.222 -0.081 1.00 0.21 H new ATOM 0 HA GLN A 2 9.368 5.867 -0.192 1.00 0.25 H new ATOM 0 HB2 GLN A 2 11.399 5.163 -2.360 1.00 0.44 H new ATOM 0 HB3 GLN A 2 10.068 6.243 -2.724 1.00 0.44 H new ATOM 0 HG2 GLN A 2 11.539 7.877 -2.188 1.00 1.00 H new ATOM 0 HG3 GLN A 2 11.100 7.507 -0.532 1.00 1.00 H new ATOM 0 HE21 GLN A 2 12.965 5.288 -2.587 1.00 2.81 H new ATOM 0 HE22 GLN A 2 14.494 5.460 -1.718 1.00 2.81 H new ATOM 37 N ILE A 3 7.494 4.662 -1.561 1.00 0.19 N ATOM 38 CA ILE A 3 6.472 3.951 -2.356 1.00 0.18 C ATOM 39 C ILE A 3 5.321 4.892 -2.695 1.00 0.18 C ATOM 40 O ILE A 3 4.952 5.703 -1.843 1.00 0.24 O ATOM 41 CB ILE A 3 5.907 2.735 -1.578 1.00 0.23 C ATOM 42 CG1 ILE A 3 6.998 1.665 -1.405 1.00 0.24 C ATOM 43 CG2 ILE A 3 4.700 2.155 -2.304 1.00 0.25 C ATOM 44 CD1 ILE A 3 7.450 1.032 -2.714 1.00 0.26 C ATOM 0 H ILE A 3 7.130 5.380 -0.935 1.00 0.19 H new ATOM 0 HA ILE A 3 6.950 3.600 -3.270 1.00 0.18 H new ATOM 0 HB ILE A 3 5.586 3.068 -0.591 1.00 0.23 H new ATOM 0 HG12 ILE A 3 7.860 2.115 -0.913 1.00 0.24 H new ATOM 0 HG13 ILE A 3 6.625 0.883 -0.743 1.00 0.24 H new ATOM 0 HG21 ILE A 3 4.315 1.302 -1.745 1.00 0.25 H new ATOM 0 HG22 ILE A 3 3.924 2.916 -2.385 1.00 0.25 H new ATOM 0 HG23 ILE A 3 4.996 1.831 -3.302 1.00 0.25 H new ATOM 0 HD11 ILE A 3 8.220 0.288 -2.511 1.00 0.26 H new ATOM 0 HD12 ILE A 3 6.600 0.552 -3.199 1.00 0.26 H new ATOM 0 HD13 ILE A 3 7.854 1.803 -3.370 1.00 0.26 H new ATOM 56 N PHE A 4 4.699 4.803 -3.900 1.00 0.16 N ATOM 57 CA PHE A 4 3.584 5.759 -4.164 1.00 0.17 C ATOM 58 C PHE A 4 2.294 4.994 -4.490 1.00 0.19 C ATOM 59 O PHE A 4 2.279 4.089 -5.324 1.00 0.24 O ATOM 60 CB PHE A 4 3.906 6.920 -5.264 1.00 0.28 C ATOM 61 CG PHE A 4 5.260 7.699 -5.129 1.00 0.43 C ATOM 62 CD1 PHE A 4 6.057 7.494 -4.014 1.00 0.77 C ATOM 63 CD2 PHE A 4 5.761 8.634 -6.120 1.00 0.50 C ATOM 64 CE1 PHE A 4 7.269 8.139 -3.849 1.00 1.00 C ATOM 65 CE2 PHE A 4 6.991 9.270 -5.930 1.00 0.63 C ATOM 66 CZ PHE A 4 7.733 9.017 -4.800 1.00 0.86 C ATOM 0 H PHE A 4 4.920 4.144 -4.646 1.00 0.16 H new ATOM 0 HA PHE A 4 3.448 6.317 -3.238 1.00 0.17 H new ATOM 0 HB2 PHE A 4 3.881 6.461 -6.252 1.00 0.28 H new ATOM 0 HB3 PHE A 4 3.096 7.648 -5.230 1.00 0.28 H new ATOM 0 HD1 PHE A 4 5.721 6.809 -3.250 1.00 0.77 H new ATOM 0 HD2 PHE A 4 5.181 8.839 -7.008 1.00 0.50 H new ATOM 0 HE1 PHE A 4 7.858 7.951 -2.963 1.00 1.00 H new ATOM 0 HE2 PHE A 4 7.360 9.962 -6.673 1.00 0.63 H new ATOM 0 HZ PHE A 4 8.684 9.510 -4.659 1.00 0.86 H new ATOM 76 N VAL A 5 1.204 5.392 -3.803 1.00 0.19 N ATOM 77 CA VAL A 5 -0.091 4.753 -3.942 1.00 0.23 C ATOM 78 C VAL A 5 -1.132 5.720 -4.527 1.00 0.20 C ATOM 79 O VAL A 5 -1.316 6.827 -3.984 1.00 0.17 O ATOM 80 CB VAL A 5 -0.606 4.279 -2.544 1.00 0.27 C ATOM 81 CG1 VAL A 5 -1.442 3.015 -2.612 1.00 0.63 C ATOM 82 CG2 VAL A 5 0.529 4.063 -1.563 1.00 0.70 C ATOM 0 H VAL A 5 1.212 6.167 -3.140 1.00 0.19 H new ATOM 0 HA VAL A 5 0.035 3.905 -4.616 1.00 0.23 H new ATOM 0 HB VAL A 5 -1.242 5.091 -2.192 1.00 0.27 H new ATOM 0 HG11 VAL A 5 -1.768 2.740 -1.609 1.00 0.63 H new ATOM 0 HG12 VAL A 5 -2.314 3.189 -3.242 1.00 0.63 H new ATOM 0 HG13 VAL A 5 -0.845 2.206 -3.034 1.00 0.63 H new ATOM 0 HG21 VAL A 5 0.125 3.734 -0.606 1.00 0.70 H new ATOM 0 HG22 VAL A 5 1.206 3.302 -1.952 1.00 0.70 H new ATOM 0 HG23 VAL A 5 1.074 4.997 -1.425 1.00 0.70 H new ATOM 92 N LYS A 6 -1.764 5.354 -5.663 1.00 0.23 N ATOM 93 CA LYS A 6 -2.846 6.231 -6.212 1.00 0.21 C ATOM 94 C LYS A 6 -4.131 5.877 -5.460 1.00 0.21 C ATOM 95 O LYS A 6 -4.343 4.722 -5.089 1.00 0.25 O ATOM 96 CB LYS A 6 -3.136 6.030 -7.760 1.00 0.25 C ATOM 97 CG LYS A 6 -1.890 5.892 -8.692 1.00 0.54 C ATOM 98 CD LYS A 6 -1.071 7.182 -8.887 1.00 0.29 C ATOM 99 CE LYS A 6 0.146 6.945 -9.815 1.00 0.41 C ATOM 100 NZ LYS A 6 1.055 5.904 -9.263 1.00 1.11 N ATOM 0 H LYS A 6 -1.567 4.509 -6.199 1.00 0.23 H new ATOM 0 HA LYS A 6 -2.518 7.263 -6.084 1.00 0.21 H new ATOM 0 HB2 LYS A 6 -3.751 5.138 -7.879 1.00 0.25 H new ATOM 0 HB3 LYS A 6 -3.730 6.875 -8.108 1.00 0.25 H new ATOM 0 HG2 LYS A 6 -1.234 5.123 -8.284 1.00 0.54 H new ATOM 0 HG3 LYS A 6 -2.224 5.541 -9.669 1.00 0.54 H new ATOM 0 HD2 LYS A 6 -1.708 7.958 -9.311 1.00 0.29 H new ATOM 0 HD3 LYS A 6 -0.727 7.546 -7.919 1.00 0.29 H new ATOM 0 HE2 LYS A 6 -0.201 6.641 -10.802 1.00 0.41 H new ATOM 0 HE3 LYS A 6 0.695 7.878 -9.944 1.00 0.41 H new ATOM 0 HZ1 LYS A 6 1.931 5.876 -9.823 1.00 1.11 H new ATOM 0 HZ2 LYS A 6 1.283 6.131 -8.274 1.00 1.11 H new ATOM 0 HZ3 LYS A 6 0.587 4.976 -9.306 1.00 1.11 H new ATOM 114 N THR A 7 -4.975 6.870 -5.240 1.00 0.17 N ATOM 115 CA THR A 7 -6.274 6.619 -4.532 1.00 0.18 C ATOM 116 C THR A 7 -7.457 6.570 -5.515 1.00 0.19 C ATOM 117 O THR A 7 -7.324 6.954 -6.676 1.00 0.19 O ATOM 118 CB THR A 7 -6.587 7.675 -3.434 1.00 0.18 C ATOM 119 OG1 THR A 7 -6.778 8.961 -4.038 1.00 0.17 O ATOM 120 CG2 THR A 7 -5.451 7.754 -2.420 1.00 0.19 C ATOM 0 H THR A 7 -4.817 7.838 -5.521 1.00 0.17 H new ATOM 0 HA THR A 7 -6.150 5.649 -4.050 1.00 0.18 H new ATOM 0 HB THR A 7 -7.497 7.373 -2.916 1.00 0.18 H new ATOM 0 HG1 THR A 7 -5.910 9.400 -4.155 1.00 0.17 H new ATOM 0 HG21 THR A 7 -5.692 8.499 -1.661 1.00 0.19 H new ATOM 0 HG22 THR A 7 -5.319 6.782 -1.945 1.00 0.19 H new ATOM 0 HG23 THR A 7 -4.529 8.038 -2.928 1.00 0.19 H new ATOM 128 N LEU A 8 -8.620 6.095 -5.033 1.00 0.21 N ATOM 129 CA LEU A 8 -9.818 5.974 -5.884 1.00 0.22 C ATOM 130 C LEU A 8 -10.385 7.324 -6.373 1.00 0.22 C ATOM 131 O LEU A 8 -11.218 7.337 -7.279 1.00 0.24 O ATOM 132 CB LEU A 8 -10.920 5.156 -5.188 1.00 0.25 C ATOM 133 CG LEU A 8 -10.944 3.671 -5.575 1.00 0.35 C ATOM 134 CD1 LEU A 8 -9.785 2.919 -4.943 1.00 0.50 C ATOM 135 CD2 LEU A 8 -12.261 3.026 -5.182 1.00 0.34 C ATOM 0 H LEU A 8 -8.755 5.791 -4.069 1.00 0.21 H new ATOM 0 HA LEU A 8 -9.480 5.443 -6.774 1.00 0.22 H new ATOM 0 HB2 LEU A 8 -10.789 5.236 -4.109 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -11.888 5.597 -5.425 1.00 0.25 H new ATOM 0 HG LEU A 8 -10.840 3.615 -6.659 1.00 0.35 H new ATOM 0 HD11 LEU A 8 -9.829 1.870 -5.236 1.00 0.50 H new ATOM 0 HD12 LEU A 8 -8.843 3.351 -5.282 1.00 0.50 H new ATOM 0 HD13 LEU A 8 -9.850 2.996 -3.858 1.00 0.50 H new ATOM 0 HD21 LEU A 8 -12.251 1.974 -5.468 1.00 0.34 H new ATOM 0 HD22 LEU A 8 -12.399 3.108 -4.104 1.00 0.34 H new ATOM 0 HD23 LEU A 8 -13.081 3.532 -5.692 1.00 0.34 H new ATOM 147 N THR A 9 -9.956 8.452 -5.796 1.00 0.21 N ATOM 148 CA THR A 9 -10.460 9.770 -6.255 1.00 0.23 C ATOM 149 C THR A 9 -9.478 10.449 -7.220 1.00 0.23 C ATOM 150 O THR A 9 -9.686 11.593 -7.623 1.00 0.25 O ATOM 151 CB THR A 9 -10.710 10.709 -5.061 1.00 0.25 C ATOM 152 OG1 THR A 9 -9.506 10.864 -4.300 1.00 1.14 O ATOM 153 CG2 THR A 9 -11.813 10.163 -4.166 1.00 1.31 C ATOM 0 H THR A 9 -9.281 8.491 -5.032 1.00 0.21 H new ATOM 0 HA THR A 9 -11.397 9.582 -6.779 1.00 0.23 H new ATOM 0 HB THR A 9 -11.023 11.679 -5.448 1.00 0.25 H new ATOM 0 HG1 THR A 9 -9.672 11.464 -3.543 1.00 1.14 H new ATOM 0 HG21 THR A 9 -11.972 10.843 -3.329 1.00 1.31 H new ATOM 0 HG22 THR A 9 -12.735 10.071 -4.740 1.00 1.31 H new ATOM 0 HG23 THR A 9 -11.523 9.183 -3.787 1.00 1.31 H new ATOM 161 N GLY A 10 -8.412 9.737 -7.581 1.00 0.20 N ATOM 162 CA GLY A 10 -7.414 10.282 -8.511 1.00 0.22 C ATOM 163 C GLY A 10 -6.348 11.111 -7.813 1.00 0.21 C ATOM 164 O GLY A 10 -5.767 12.008 -8.422 1.00 0.24 O ATOM 0 H GLY A 10 -8.215 8.792 -7.251 1.00 0.20 H new ATOM 0 HA2 GLY A 10 -6.937 9.461 -9.046 1.00 0.22 H new ATOM 0 HA3 GLY A 10 -7.917 10.898 -9.256 1.00 0.22 H new ATOM 168 N LYS A 11 -6.080 10.820 -6.537 1.00 0.18 N ATOM 169 CA LYS A 11 -5.021 11.533 -5.793 1.00 0.18 C ATOM 170 C LYS A 11 -3.954 10.520 -5.317 1.00 0.14 C ATOM 171 O LYS A 11 -4.294 9.537 -4.660 1.00 0.13 O ATOM 172 CB LYS A 11 -5.632 12.292 -4.565 1.00 0.22 C ATOM 173 CG LYS A 11 -4.724 13.389 -3.955 1.00 0.78 C ATOM 174 CD LYS A 11 -5.360 14.033 -2.713 1.00 1.39 C ATOM 175 CE LYS A 11 -4.546 15.224 -2.182 1.00 1.90 C ATOM 176 NZ LYS A 11 -3.944 16.023 -3.287 1.00 2.00 N ATOM 0 H LYS A 11 -6.570 10.107 -5.998 1.00 0.18 H new ATOM 0 HA LYS A 11 -4.554 12.265 -6.452 1.00 0.18 H new ATOM 0 HB2 LYS A 11 -6.573 12.749 -4.871 1.00 0.22 H new ATOM 0 HB3 LYS A 11 -5.869 11.565 -3.789 1.00 0.22 H new ATOM 0 HG2 LYS A 11 -3.761 12.955 -3.686 1.00 0.78 H new ATOM 0 HG3 LYS A 11 -4.530 14.157 -4.703 1.00 0.78 H new ATOM 0 HD2 LYS A 11 -6.368 14.367 -2.958 1.00 1.39 H new ATOM 0 HD3 LYS A 11 -5.454 13.283 -1.928 1.00 1.39 H new ATOM 0 HE2 LYS A 11 -5.191 15.865 -1.580 1.00 1.90 H new ATOM 0 HE3 LYS A 11 -3.756 14.860 -1.525 1.00 1.90 H new ATOM 0 HZ1 LYS A 11 -3.656 16.954 -2.925 1.00 2.00 H new ATOM 0 HZ2 LYS A 11 -3.112 15.525 -3.662 1.00 2.00 H new ATOM 0 HZ3 LYS A 11 -4.644 16.148 -4.046 1.00 2.00 H new ATOM 190 N THR A 12 -2.672 10.753 -5.633 1.00 0.14 N ATOM 191 CA THR A 12 -1.592 9.830 -5.198 1.00 0.12 C ATOM 192 C THR A 12 -0.698 10.488 -4.144 1.00 0.13 C ATOM 193 O THR A 12 -0.490 11.701 -4.191 1.00 0.15 O ATOM 194 CB THR A 12 -0.712 9.374 -6.381 1.00 0.14 C ATOM 195 OG1 THR A 12 -0.119 8.105 -6.076 1.00 0.14 O ATOM 196 CG2 THR A 12 0.391 10.378 -6.668 1.00 0.20 C ATOM 0 H THR A 12 -2.353 11.554 -6.177 1.00 0.14 H new ATOM 0 HA THR A 12 -2.085 8.957 -4.770 1.00 0.12 H new ATOM 0 HB THR A 12 -1.348 9.294 -7.263 1.00 0.14 H new ATOM 0 HG1 THR A 12 0.689 7.983 -6.617 1.00 0.14 H new ATOM 0 HG21 THR A 12 0.993 10.027 -7.506 1.00 0.20 H new ATOM 0 HG22 THR A 12 -0.051 11.343 -6.917 1.00 0.20 H new ATOM 0 HG23 THR A 12 1.024 10.485 -5.787 1.00 0.20 H new ATOM 204 N ILE A 13 -0.173 9.713 -3.182 1.00 0.13 N ATOM 205 CA ILE A 13 0.689 10.345 -2.139 1.00 0.16 C ATOM 206 C ILE A 13 2.115 9.770 -2.146 1.00 0.18 C ATOM 207 O ILE A 13 2.342 8.650 -2.606 1.00 0.18 O ATOM 208 CB ILE A 13 0.139 10.176 -0.690 1.00 0.18 C ATOM 209 CG1 ILE A 13 -1.378 10.410 -0.589 1.00 0.15 C ATOM 210 CG2 ILE A 13 0.852 11.121 0.265 1.00 0.26 C ATOM 211 CD1 ILE A 13 -1.962 9.612 0.547 1.00 0.16 C ATOM 0 H ILE A 13 -0.311 8.706 -3.093 1.00 0.13 H new ATOM 0 HA ILE A 13 0.692 11.402 -2.403 1.00 0.16 H new ATOM 0 HB ILE A 13 0.332 9.140 -0.413 1.00 0.18 H new ATOM 0 HG12 ILE A 13 -1.579 11.470 -0.437 1.00 0.15 H new ATOM 0 HG13 ILE A 13 -1.859 10.126 -1.525 1.00 0.15 H new ATOM 0 HG21 ILE A 13 0.455 10.989 1.272 1.00 0.26 H new ATOM 0 HG22 ILE A 13 1.920 10.902 0.264 1.00 0.26 H new ATOM 0 HG23 ILE A 13 0.693 12.151 -0.056 1.00 0.26 H new ATOM 0 HD11 ILE A 13 -3.036 9.790 0.603 1.00 0.16 H new ATOM 0 HD12 ILE A 13 -1.779 8.551 0.378 1.00 0.16 H new ATOM 0 HD13 ILE A 13 -1.495 9.916 1.483 1.00 0.16 H new ATOM 223 N THR A 14 3.072 10.556 -1.630 1.00 0.20 N ATOM 224 CA THR A 14 4.486 10.118 -1.540 1.00 0.24 C ATOM 225 C THR A 14 4.716 9.608 -0.098 1.00 0.25 C ATOM 226 O THR A 14 4.538 10.373 0.852 1.00 0.26 O ATOM 227 CB THR A 14 5.488 11.263 -1.923 1.00 0.29 C ATOM 228 OG1 THR A 14 6.212 10.882 -3.097 1.00 0.49 O ATOM 229 CG2 THR A 14 6.484 11.557 -0.807 1.00 0.63 C ATOM 0 H THR A 14 2.901 11.494 -1.269 1.00 0.20 H new ATOM 0 HA THR A 14 4.676 9.321 -2.259 1.00 0.24 H new ATOM 0 HB THR A 14 4.903 12.166 -2.098 1.00 0.29 H new ATOM 0 HG1 THR A 14 6.478 9.941 -3.027 1.00 0.49 H new ATOM 0 HG21 THR A 14 7.156 12.356 -1.120 1.00 0.63 H new ATOM 0 HG22 THR A 14 5.946 11.866 0.089 1.00 0.63 H new ATOM 0 HG23 THR A 14 7.064 10.660 -0.591 1.00 0.63 H new ATOM 237 N LEU A 15 5.075 8.323 0.090 1.00 0.26 N ATOM 238 CA LEU A 15 5.235 7.780 1.447 1.00 0.30 C ATOM 239 C LEU A 15 6.661 7.273 1.725 1.00 0.32 C ATOM 240 O LEU A 15 7.356 6.775 0.820 1.00 0.30 O ATOM 241 CB LEU A 15 4.235 6.622 1.697 1.00 0.30 C ATOM 242 CG LEU A 15 3.775 6.470 3.141 1.00 0.35 C ATOM 243 CD1 LEU A 15 3.009 7.691 3.592 1.00 0.67 C ATOM 244 CD2 LEU A 15 2.879 5.272 3.253 1.00 0.66 C ATOM 0 H LEU A 15 5.255 7.658 -0.662 1.00 0.26 H new ATOM 0 HA LEU A 15 5.033 8.608 2.127 1.00 0.30 H new ATOM 0 HB2 LEU A 15 3.359 6.776 1.067 1.00 0.30 H new ATOM 0 HB3 LEU A 15 4.697 5.688 1.378 1.00 0.30 H new ATOM 0 HG LEU A 15 4.656 6.350 3.772 1.00 0.35 H new ATOM 0 HD11 LEU A 15 2.691 7.559 4.626 1.00 0.67 H new ATOM 0 HD12 LEU A 15 3.649 8.570 3.519 1.00 0.67 H new ATOM 0 HD13 LEU A 15 2.133 7.826 2.957 1.00 0.67 H new ATOM 0 HD21 LEU A 15 2.548 5.160 4.286 1.00 0.66 H new ATOM 0 HD22 LEU A 15 2.012 5.405 2.606 1.00 0.66 H new ATOM 0 HD23 LEU A 15 3.425 4.379 2.949 1.00 0.66 H new ATOM 256 N GLU A 16 7.039 7.353 3.014 1.00 0.37 N ATOM 257 CA GLU A 16 8.363 6.936 3.498 1.00 0.40 C ATOM 258 C GLU A 16 8.201 5.527 4.095 1.00 0.39 C ATOM 259 O GLU A 16 7.481 5.366 5.081 1.00 0.42 O ATOM 260 CB GLU A 16 8.894 7.926 4.598 1.00 0.45 C ATOM 261 CG GLU A 16 10.342 7.598 5.113 1.00 0.48 C ATOM 262 CD GLU A 16 10.331 6.516 6.175 1.00 0.48 C ATOM 263 OE1 GLU A 16 10.046 6.838 7.348 1.00 0.51 O ATOM 264 OE2 GLU A 16 10.611 5.347 5.835 1.00 0.46 O ATOM 0 H GLU A 16 6.430 7.711 3.750 1.00 0.37 H new ATOM 0 HA GLU A 16 9.084 6.939 2.680 1.00 0.40 H new ATOM 0 HB2 GLU A 16 8.884 8.939 4.195 1.00 0.45 H new ATOM 0 HB3 GLU A 16 8.208 7.913 5.445 1.00 0.45 H new ATOM 0 HG2 GLU A 16 10.962 7.279 4.275 1.00 0.48 H new ATOM 0 HG3 GLU A 16 10.796 8.502 5.520 1.00 0.48 H new ATOM 271 N VAL A 17 8.853 4.506 3.525 1.00 0.37 N ATOM 272 CA VAL A 17 8.653 3.127 4.014 1.00 0.35 C ATOM 273 C VAL A 17 9.988 2.461 4.288 1.00 0.34 C ATOM 274 O VAL A 17 11.014 3.037 4.010 1.00 0.35 O ATOM 275 CB VAL A 17 7.898 2.262 2.955 1.00 0.35 C ATOM 276 CG1 VAL A 17 6.633 2.955 2.502 1.00 0.34 C ATOM 277 CG2 VAL A 17 8.792 1.998 1.753 1.00 0.39 C ATOM 0 H VAL A 17 9.506 4.598 2.747 1.00 0.37 H new ATOM 0 HA VAL A 17 8.065 3.192 4.929 1.00 0.35 H new ATOM 0 HB VAL A 17 7.633 1.313 3.421 1.00 0.35 H new ATOM 0 HG11 VAL A 17 6.123 2.335 1.765 1.00 0.34 H new ATOM 0 HG12 VAL A 17 5.978 3.113 3.359 1.00 0.34 H new ATOM 0 HG13 VAL A 17 6.885 3.917 2.056 1.00 0.34 H new ATOM 0 HG21 VAL A 17 8.252 1.394 1.024 1.00 0.39 H new ATOM 0 HG22 VAL A 17 9.079 2.946 1.298 1.00 0.39 H new ATOM 0 HG23 VAL A 17 9.686 1.465 2.075 1.00 0.39 H new ATOM 287 N GLU A 18 9.987 1.311 4.947 1.00 0.34 N ATOM 288 CA GLU A 18 11.248 0.603 5.167 1.00 0.37 C ATOM 289 C GLU A 18 11.011 -0.917 5.023 1.00 0.41 C ATOM 290 O GLU A 18 10.054 -1.445 5.587 1.00 0.38 O ATOM 291 CB GLU A 18 11.863 0.940 6.553 1.00 0.36 C ATOM 292 CG GLU A 18 10.935 0.701 7.780 1.00 0.36 C ATOM 293 CD GLU A 18 10.279 1.987 8.246 1.00 0.46 C ATOM 294 OE1 GLU A 18 10.917 2.732 9.018 1.00 0.59 O ATOM 295 OE2 GLU A 18 9.128 2.248 7.838 1.00 0.51 O ATOM 0 H GLU A 18 9.158 0.856 5.329 1.00 0.34 H new ATOM 0 HA GLU A 18 11.966 0.931 4.415 1.00 0.37 H new ATOM 0 HB2 GLU A 18 12.767 0.345 6.683 1.00 0.36 H new ATOM 0 HB3 GLU A 18 12.168 1.986 6.550 1.00 0.36 H new ATOM 0 HG2 GLU A 18 10.166 -0.026 7.519 1.00 0.36 H new ATOM 0 HG3 GLU A 18 11.515 0.272 8.597 1.00 0.36 H new ATOM 302 N SER A 19 11.886 -1.615 4.276 1.00 0.48 N ATOM 303 CA SER A 19 11.755 -3.049 4.027 1.00 0.56 C ATOM 304 C SER A 19 11.429 -3.889 5.273 1.00 0.55 C ATOM 305 O SER A 19 10.922 -5.003 5.140 1.00 0.59 O ATOM 306 CB SER A 19 13.024 -3.567 3.345 1.00 0.68 C ATOM 307 OG SER A 19 12.836 -4.876 2.853 1.00 1.16 O ATOM 0 H SER A 19 12.702 -1.194 3.831 1.00 0.48 H new ATOM 0 HA SER A 19 10.891 -3.167 3.373 1.00 0.56 H new ATOM 0 HB2 SER A 19 13.298 -2.903 2.525 1.00 0.68 H new ATOM 0 HB3 SER A 19 13.852 -3.557 4.054 1.00 0.68 H new ATOM 0 HG SER A 19 13.660 -5.184 2.421 1.00 1.16 H new ATOM 313 N SER A 20 11.717 -3.380 6.475 1.00 0.52 N ATOM 314 CA SER A 20 11.472 -4.163 7.699 1.00 0.53 C ATOM 315 C SER A 20 10.120 -3.853 8.357 1.00 0.45 C ATOM 316 O SER A 20 9.598 -4.687 9.096 1.00 0.47 O ATOM 317 CB SER A 20 12.618 -3.963 8.730 1.00 0.60 C ATOM 318 OG SER A 20 12.412 -2.767 9.466 1.00 0.55 O ATOM 0 H SER A 20 12.111 -2.452 6.630 1.00 0.52 H new ATOM 0 HA SER A 20 11.444 -5.206 7.383 1.00 0.53 H new ATOM 0 HB2 SER A 20 12.658 -4.814 9.409 1.00 0.60 H new ATOM 0 HB3 SER A 20 13.577 -3.921 8.215 1.00 0.60 H new ATOM 0 HG SER A 20 13.139 -2.652 10.113 1.00 0.55 H new ATOM 324 N ASP A 21 9.544 -2.675 8.107 1.00 0.37 N ATOM 325 CA ASP A 21 8.240 -2.348 8.751 1.00 0.32 C ATOM 326 C ASP A 21 7.124 -3.209 8.144 1.00 0.26 C ATOM 327 O ASP A 21 7.164 -3.551 6.962 1.00 0.25 O ATOM 328 CB ASP A 21 7.846 -0.835 8.596 1.00 0.32 C ATOM 329 CG ASP A 21 7.003 -0.359 9.762 1.00 0.58 C ATOM 330 OD1 ASP A 21 6.107 -1.113 10.193 1.00 1.20 O ATOM 331 OD2 ASP A 21 7.233 0.772 10.239 1.00 1.01 O ATOM 0 H ASP A 21 9.925 -1.953 7.496 1.00 0.37 H new ATOM 0 HA ASP A 21 8.358 -2.558 9.814 1.00 0.32 H new ATOM 0 HB2 ASP A 21 8.749 -0.228 8.526 1.00 0.32 H new ATOM 0 HB3 ASP A 21 7.295 -0.695 7.666 1.00 0.32 H new ATOM 336 N THR A 22 6.127 -3.552 8.970 1.00 0.24 N ATOM 337 CA THR A 22 4.998 -4.378 8.537 1.00 0.20 C ATOM 338 C THR A 22 4.045 -3.571 7.635 1.00 0.19 C ATOM 339 O THR A 22 3.850 -2.378 7.867 1.00 0.20 O ATOM 340 CB THR A 22 4.212 -4.915 9.747 1.00 0.20 C ATOM 341 OG1 THR A 22 5.122 -5.350 10.766 1.00 0.93 O ATOM 342 CG2 THR A 22 3.321 -6.076 9.339 1.00 0.90 C ATOM 0 H THR A 22 6.082 -3.267 9.948 1.00 0.24 H new ATOM 0 HA THR A 22 5.405 -5.218 7.973 1.00 0.20 H new ATOM 0 HB THR A 22 3.586 -4.110 10.132 1.00 0.20 H new ATOM 0 HG1 THR A 22 4.616 -5.689 11.534 1.00 0.93 H new ATOM 0 HG21 THR A 22 2.775 -6.439 10.210 1.00 0.90 H new ATOM 0 HG22 THR A 22 2.613 -5.742 8.580 1.00 0.90 H new ATOM 0 HG23 THR A 22 3.935 -6.881 8.934 1.00 0.90 H new ATOM 350 N ILE A 23 3.449 -4.207 6.609 1.00 0.20 N ATOM 351 CA ILE A 23 2.561 -3.495 5.693 1.00 0.22 C ATOM 352 C ILE A 23 1.390 -2.812 6.436 1.00 0.21 C ATOM 353 O ILE A 23 0.977 -1.728 6.021 1.00 0.22 O ATOM 354 CB ILE A 23 2.014 -4.424 4.572 1.00 0.26 C ATOM 355 CG1 ILE A 23 3.169 -4.939 3.705 1.00 0.40 C ATOM 356 CG2 ILE A 23 0.993 -3.688 3.713 1.00 0.42 C ATOM 357 CD1 ILE A 23 3.892 -3.853 2.935 1.00 1.40 C ATOM 0 H ILE A 23 3.568 -5.199 6.401 1.00 0.20 H new ATOM 0 HA ILE A 23 3.167 -2.718 5.226 1.00 0.22 H new ATOM 0 HB ILE A 23 1.517 -5.275 5.039 1.00 0.26 H new ATOM 0 HG12 ILE A 23 3.886 -5.457 4.342 1.00 0.40 H new ATOM 0 HG13 ILE A 23 2.781 -5.674 2.999 1.00 0.40 H new ATOM 0 HG21 ILE A 23 0.623 -4.356 2.935 1.00 0.42 H new ATOM 0 HG22 ILE A 23 0.161 -3.361 4.337 1.00 0.42 H new ATOM 0 HG23 ILE A 23 1.464 -2.820 3.252 1.00 0.42 H new ATOM 0 HD11 ILE A 23 4.695 -4.297 2.346 1.00 1.40 H new ATOM 0 HD12 ILE A 23 3.190 -3.350 2.270 1.00 1.40 H new ATOM 0 HD13 ILE A 23 4.312 -3.130 3.634 1.00 1.40 H new ATOM 369 N ASP A 24 0.846 -3.395 7.540 1.00 0.19 N ATOM 370 CA ASP A 24 -0.271 -2.714 8.225 1.00 0.19 C ATOM 371 C ASP A 24 0.161 -1.327 8.720 1.00 0.17 C ATOM 372 O ASP A 24 -0.562 -0.337 8.538 1.00 0.17 O ATOM 373 CB ASP A 24 -0.772 -3.555 9.404 1.00 0.20 C ATOM 374 CG ASP A 24 0.233 -3.638 10.535 1.00 0.99 C ATOM 375 OD1 ASP A 24 0.243 -2.727 11.389 1.00 0.94 O ATOM 376 OD2 ASP A 24 1.014 -4.613 10.567 1.00 1.80 O ATOM 0 H ASP A 24 1.144 -4.280 7.949 1.00 0.19 H new ATOM 0 HA ASP A 24 -1.083 -2.593 7.508 1.00 0.19 H new ATOM 0 HB2 ASP A 24 -1.701 -3.127 9.780 1.00 0.20 H new ATOM 0 HB3 ASP A 24 -1.003 -4.561 9.054 1.00 0.20 H new ATOM 381 N ASN A 25 1.344 -1.250 9.328 1.00 0.17 N ATOM 382 CA ASN A 25 1.870 0.031 9.808 1.00 0.18 C ATOM 383 C ASN A 25 1.875 1.073 8.686 1.00 0.18 C ATOM 384 O ASN A 25 1.509 2.230 8.919 1.00 0.18 O ATOM 385 CB ASN A 25 3.282 -0.114 10.451 1.00 0.20 C ATOM 386 CG ASN A 25 3.863 1.250 10.925 1.00 0.22 C ATOM 387 OD1 ASN A 25 3.973 1.478 12.130 1.00 0.24 O ATOM 388 ND2 ASN A 25 4.228 2.176 9.989 1.00 0.25 N ATOM 0 H ASN A 25 1.953 -2.050 9.500 1.00 0.17 H new ATOM 0 HA ASN A 25 1.201 0.379 10.595 1.00 0.18 H new ATOM 0 HB2 ASN A 25 3.223 -0.795 11.300 1.00 0.20 H new ATOM 0 HB3 ASN A 25 3.963 -0.564 9.728 1.00 0.20 H new ATOM 0 HD21 ASN A 25 4.601 3.079 10.283 1.00 0.25 H new ATOM 0 HD22 ASN A 25 4.128 1.965 8.996 1.00 0.25 H new ATOM 395 N VAL A 26 2.277 0.693 7.464 1.00 0.20 N ATOM 396 CA VAL A 26 2.324 1.674 6.396 1.00 0.22 C ATOM 397 C VAL A 26 0.913 2.100 6.001 1.00 0.20 C ATOM 398 O VAL A 26 0.667 3.278 5.685 1.00 0.20 O ATOM 399 CB VAL A 26 3.050 1.131 5.147 1.00 0.28 C ATOM 400 CG1 VAL A 26 4.134 2.093 4.726 1.00 0.37 C ATOM 401 CG2 VAL A 26 3.651 -0.237 5.408 1.00 0.24 C ATOM 0 H VAL A 26 2.562 -0.252 7.206 1.00 0.20 H new ATOM 0 HA VAL A 26 2.881 2.531 6.776 1.00 0.22 H new ATOM 0 HB VAL A 26 2.316 1.031 4.347 1.00 0.28 H new ATOM 0 HG11 VAL A 26 4.643 1.704 3.844 1.00 0.37 H new ATOM 0 HG12 VAL A 26 3.691 3.061 4.492 1.00 0.37 H new ATOM 0 HG13 VAL A 26 4.852 2.209 5.537 1.00 0.37 H new ATOM 0 HG21 VAL A 26 4.155 -0.591 4.508 1.00 0.24 H new ATOM 0 HG22 VAL A 26 4.371 -0.169 6.224 1.00 0.24 H new ATOM 0 HG23 VAL A 26 2.860 -0.936 5.679 1.00 0.24 H new ATOM 411 N LYS A 27 -0.022 1.152 6.061 1.00 0.19 N ATOM 412 CA LYS A 27 -1.413 1.455 5.754 1.00 0.20 C ATOM 413 C LYS A 27 -1.925 2.510 6.721 1.00 0.18 C ATOM 414 O LYS A 27 -2.842 3.270 6.406 1.00 0.18 O ATOM 415 CB LYS A 27 -2.302 0.199 5.805 1.00 0.25 C ATOM 416 CG LYS A 27 -1.780 -0.931 4.932 1.00 0.60 C ATOM 417 CD LYS A 27 -2.675 -2.155 5.000 1.00 1.21 C ATOM 418 CE LYS A 27 -3.929 -1.979 4.161 1.00 2.13 C ATOM 419 NZ LYS A 27 -4.807 -3.180 4.216 1.00 2.91 N ATOM 0 H LYS A 27 0.158 0.181 6.316 1.00 0.19 H new ATOM 0 HA LYS A 27 -1.460 1.837 4.734 1.00 0.20 H new ATOM 0 HB2 LYS A 27 -2.373 -0.148 6.836 1.00 0.25 H new ATOM 0 HB3 LYS A 27 -3.311 0.461 5.487 1.00 0.25 H new ATOM 0 HG2 LYS A 27 -1.709 -0.589 3.899 1.00 0.60 H new ATOM 0 HG3 LYS A 27 -0.772 -1.199 5.249 1.00 0.60 H new ATOM 0 HD2 LYS A 27 -2.124 -3.029 4.653 1.00 1.21 H new ATOM 0 HD3 LYS A 27 -2.954 -2.345 6.036 1.00 1.21 H new ATOM 0 HE2 LYS A 27 -4.482 -1.108 4.513 1.00 2.13 H new ATOM 0 HE3 LYS A 27 -3.649 -1.781 3.126 1.00 2.13 H new ATOM 0 HZ1 LYS A 27 -5.121 -3.425 3.255 1.00 2.91 H new ATOM 0 HZ2 LYS A 27 -4.278 -3.978 4.622 1.00 2.91 H new ATOM 0 HZ3 LYS A 27 -5.636 -2.977 4.810 1.00 2.91 H new ATOM 433 N SER A 28 -1.352 2.536 7.927 1.00 0.17 N ATOM 434 CA SER A 28 -1.790 3.529 8.912 1.00 0.18 C ATOM 435 C SER A 28 -1.063 4.872 8.764 1.00 0.18 C ATOM 436 O SER A 28 -1.681 5.905 9.018 1.00 0.19 O ATOM 437 CB SER A 28 -1.673 3.013 10.371 1.00 0.21 C ATOM 438 OG SER A 28 -0.486 2.261 10.556 1.00 0.22 O ATOM 0 H SER A 28 -0.612 1.907 8.238 1.00 0.17 H new ATOM 0 HA SER A 28 -2.846 3.697 8.698 1.00 0.18 H new ATOM 0 HB2 SER A 28 -1.682 3.858 11.060 1.00 0.21 H new ATOM 0 HB3 SER A 28 -2.539 2.396 10.612 1.00 0.21 H new ATOM 0 HG SER A 28 0.234 2.647 10.014 1.00 0.22 H new ATOM 444 N LYS A 29 0.231 4.912 8.370 1.00 0.19 N ATOM 445 CA LYS A 29 0.861 6.235 8.240 1.00 0.21 C ATOM 446 C LYS A 29 0.117 7.000 7.157 1.00 0.19 C ATOM 447 O LYS A 29 -0.066 8.221 7.234 1.00 0.20 O ATOM 448 CB LYS A 29 2.396 6.178 7.892 1.00 0.25 C ATOM 449 CG LYS A 29 3.175 7.515 8.198 1.00 0.30 C ATOM 450 CD LYS A 29 4.704 7.336 8.436 1.00 0.36 C ATOM 451 CE LYS A 29 5.064 5.951 8.960 1.00 0.56 C ATOM 452 NZ LYS A 29 6.521 5.824 9.243 1.00 1.71 N ATOM 0 H LYS A 29 0.818 4.107 8.152 1.00 0.19 H new ATOM 0 HA LYS A 29 0.796 6.731 9.209 1.00 0.21 H new ATOM 0 HB2 LYS A 29 2.855 5.365 8.455 1.00 0.25 H new ATOM 0 HB3 LYS A 29 2.509 5.938 6.835 1.00 0.25 H new ATOM 0 HG2 LYS A 29 3.029 8.204 7.366 1.00 0.30 H new ATOM 0 HG3 LYS A 29 2.736 7.982 9.080 1.00 0.30 H new ATOM 0 HD2 LYS A 29 5.236 7.515 7.501 1.00 0.36 H new ATOM 0 HD3 LYS A 29 5.047 8.088 9.147 1.00 0.36 H new ATOM 0 HE2 LYS A 29 4.499 5.749 9.870 1.00 0.56 H new ATOM 0 HE3 LYS A 29 4.770 5.199 8.228 1.00 0.56 H new ATOM 0 HZ1 LYS A 29 6.724 4.867 9.597 1.00 1.71 H new ATOM 0 HZ2 LYS A 29 7.060 5.991 8.370 1.00 1.71 H new ATOM 0 HZ3 LYS A 29 6.798 6.525 9.960 1.00 1.71 H new ATOM 466 N ILE A 30 -0.347 6.247 6.157 1.00 0.17 N ATOM 467 CA ILE A 30 -1.121 6.857 5.090 1.00 0.17 C ATOM 468 C ILE A 30 -2.500 7.227 5.641 1.00 0.16 C ATOM 469 O ILE A 30 -2.951 8.349 5.422 1.00 0.17 O ATOM 470 CB ILE A 30 -1.257 5.940 3.839 1.00 0.19 C ATOM 471 CG1 ILE A 30 -2.024 6.671 2.732 1.00 0.81 C ATOM 472 CG2 ILE A 30 -1.952 4.638 4.192 1.00 0.76 C ATOM 473 CD1 ILE A 30 -2.080 5.911 1.424 1.00 0.92 C ATOM 0 H ILE A 30 -0.202 5.241 6.069 1.00 0.17 H new ATOM 0 HA ILE A 30 -0.592 7.748 4.752 1.00 0.17 H new ATOM 0 HB ILE A 30 -0.256 5.701 3.479 1.00 0.19 H new ATOM 0 HG12 ILE A 30 -3.041 6.863 3.074 1.00 0.81 H new ATOM 0 HG13 ILE A 30 -1.557 7.641 2.559 1.00 0.81 H new ATOM 0 HG21 ILE A 30 -2.034 4.016 3.301 1.00 0.76 H new ATOM 0 HG22 ILE A 30 -1.373 4.111 4.950 1.00 0.76 H new ATOM 0 HG23 ILE A 30 -2.949 4.851 4.579 1.00 0.76 H new ATOM 0 HD11 ILE A 30 -2.639 6.491 0.690 1.00 0.92 H new ATOM 0 HD12 ILE A 30 -1.067 5.741 1.058 1.00 0.92 H new ATOM 0 HD13 ILE A 30 -2.574 4.952 1.581 1.00 0.92 H new ATOM 485 N GLN A 31 -3.197 6.304 6.351 1.00 0.17 N ATOM 486 CA GLN A 31 -4.500 6.694 6.926 1.00 0.19 C ATOM 487 C GLN A 31 -4.366 8.053 7.696 1.00 0.20 C ATOM 488 O GLN A 31 -5.246 8.899 7.582 1.00 0.22 O ATOM 489 CB GLN A 31 -5.157 5.526 7.819 1.00 0.22 C ATOM 490 CG GLN A 31 -6.150 6.002 8.933 1.00 0.32 C ATOM 491 CD GLN A 31 -5.453 6.764 10.046 1.00 1.09 C ATOM 492 OE1 GLN A 31 -6.028 7.671 10.647 1.00 1.33 O ATOM 493 NE2 GLN A 31 -4.209 6.393 10.331 1.00 2.22 N ATOM 0 H GLN A 31 -2.900 5.345 6.530 1.00 0.17 H new ATOM 0 HA GLN A 31 -5.200 6.847 6.105 1.00 0.19 H new ATOM 0 HB2 GLN A 31 -5.685 4.840 7.156 1.00 0.22 H new ATOM 0 HB3 GLN A 31 -4.354 4.959 8.291 1.00 0.22 H new ATOM 0 HG2 GLN A 31 -6.915 6.637 8.486 1.00 0.32 H new ATOM 0 HG3 GLN A 31 -6.661 5.136 9.354 1.00 0.32 H new ATOM 0 HE21 GLN A 31 -3.770 5.636 9.807 1.00 2.22 H new ATOM 0 HE22 GLN A 31 -3.693 6.866 11.073 1.00 2.22 H new ATOM 502 N ASP A 32 -3.287 8.275 8.492 1.00 0.20 N ATOM 503 CA ASP A 32 -3.101 9.550 9.187 1.00 0.22 C ATOM 504 C ASP A 32 -2.963 10.715 8.210 1.00 0.21 C ATOM 505 O ASP A 32 -3.561 11.774 8.397 1.00 0.22 O ATOM 506 CB ASP A 32 -1.864 9.485 10.093 1.00 0.23 C ATOM 507 CG ASP A 32 -2.037 8.505 11.237 1.00 0.25 C ATOM 508 OD1 ASP A 32 -2.799 8.817 12.177 1.00 0.27 O ATOM 509 OD2 ASP A 32 -1.410 7.426 11.195 1.00 0.36 O ATOM 0 H ASP A 32 -2.550 7.590 8.659 1.00 0.20 H new ATOM 0 HA ASP A 32 -3.990 9.724 9.793 1.00 0.22 H new ATOM 0 HB2 ASP A 32 -0.997 9.197 9.499 1.00 0.23 H new ATOM 0 HB3 ASP A 32 -1.659 10.477 10.496 1.00 0.23 H new ATOM 514 N LYS A 33 -2.167 10.502 7.166 1.00 0.19 N ATOM 515 CA LYS A 33 -1.905 11.577 6.167 1.00 0.19 C ATOM 516 C LYS A 33 -3.133 11.888 5.298 1.00 0.18 C ATOM 517 O LYS A 33 -3.605 13.026 5.295 1.00 0.19 O ATOM 518 CB LYS A 33 -0.676 11.246 5.264 1.00 0.22 C ATOM 519 CG LYS A 33 -0.045 12.465 4.536 1.00 0.31 C ATOM 520 CD LYS A 33 1.082 12.058 3.557 1.00 0.39 C ATOM 521 CE LYS A 33 1.829 13.273 2.973 1.00 0.81 C ATOM 522 NZ LYS A 33 2.000 14.355 3.982 1.00 1.81 N ATOM 0 H LYS A 33 -1.693 9.619 6.976 1.00 0.19 H new ATOM 0 HA LYS A 33 -1.676 12.471 6.747 1.00 0.19 H new ATOM 0 HB2 LYS A 33 0.090 10.773 5.879 1.00 0.22 H new ATOM 0 HB3 LYS A 33 -0.981 10.514 4.516 1.00 0.22 H new ATOM 0 HG2 LYS A 33 -0.822 12.998 3.988 1.00 0.31 H new ATOM 0 HG3 LYS A 33 0.355 13.158 5.276 1.00 0.31 H new ATOM 0 HD2 LYS A 33 1.793 11.414 4.075 1.00 0.39 H new ATOM 0 HD3 LYS A 33 0.656 11.472 2.742 1.00 0.39 H new ATOM 0 HE2 LYS A 33 2.807 12.958 2.609 1.00 0.81 H new ATOM 0 HE3 LYS A 33 1.279 13.660 2.115 1.00 0.81 H new ATOM 0 HZ1 LYS A 33 2.793 14.968 3.703 1.00 1.81 H new ATOM 0 HZ2 LYS A 33 1.128 14.920 4.036 1.00 1.81 H new ATOM 0 HZ3 LYS A 33 2.198 13.934 4.912 1.00 1.81 H new ATOM 536 N GLU A 34 -3.658 10.905 4.566 1.00 0.17 N ATOM 537 CA GLU A 34 -4.812 11.178 3.674 1.00 0.18 C ATOM 538 C GLU A 34 -6.124 10.575 4.221 1.00 0.21 C ATOM 539 O GLU A 34 -7.202 10.997 3.800 1.00 0.24 O ATOM 540 CB GLU A 34 -4.553 10.672 2.213 1.00 0.22 C ATOM 541 CG GLU A 34 -5.656 10.986 1.182 1.00 0.65 C ATOM 542 CD GLU A 34 -5.730 12.470 0.876 1.00 1.79 C ATOM 543 OE1 GLU A 34 -4.820 12.979 0.188 1.00 2.29 O ATOM 544 OE2 GLU A 34 -6.693 13.123 1.330 1.00 2.37 O ATOM 0 H GLU A 34 -3.325 9.941 4.562 1.00 0.17 H new ATOM 0 HA GLU A 34 -4.925 12.262 3.646 1.00 0.18 H new ATOM 0 HB2 GLU A 34 -3.618 11.108 1.859 1.00 0.22 H new ATOM 0 HB3 GLU A 34 -4.410 9.592 2.244 1.00 0.22 H new ATOM 0 HG2 GLU A 34 -5.463 10.434 0.262 1.00 0.65 H new ATOM 0 HG3 GLU A 34 -6.618 10.644 1.563 1.00 0.65 H new ATOM 551 N GLY A 35 -6.066 9.598 5.154 1.00 0.22 N ATOM 552 CA GLY A 35 -7.308 9.061 5.700 1.00 0.26 C ATOM 553 C GLY A 35 -7.866 7.764 5.049 1.00 0.29 C ATOM 554 O GLY A 35 -9.028 7.457 5.317 1.00 0.35 O ATOM 0 H GLY A 35 -5.208 9.188 5.524 1.00 0.22 H new ATOM 0 HA2 GLY A 35 -7.155 8.868 6.762 1.00 0.26 H new ATOM 0 HA3 GLY A 35 -8.073 9.834 5.624 1.00 0.26 H new ATOM 558 N ILE A 36 -7.128 6.962 4.206 1.00 0.27 N ATOM 559 CA ILE A 36 -7.779 5.749 3.656 1.00 0.32 C ATOM 560 C ILE A 36 -7.810 4.667 4.749 1.00 0.31 C ATOM 561 O ILE A 36 -6.765 4.303 5.287 1.00 0.26 O ATOM 562 CB ILE A 36 -7.084 5.187 2.351 1.00 0.34 C ATOM 563 CG1 ILE A 36 -8.009 4.248 1.616 1.00 0.42 C ATOM 564 CG2 ILE A 36 -5.768 4.447 2.645 1.00 0.30 C ATOM 565 CD1 ILE A 36 -7.493 3.888 0.244 1.00 0.95 C ATOM 0 H ILE A 36 -6.163 7.124 3.919 1.00 0.27 H new ATOM 0 HA ILE A 36 -8.788 6.032 3.355 1.00 0.32 H new ATOM 0 HB ILE A 36 -6.855 6.057 1.736 1.00 0.34 H new ATOM 0 HG12 ILE A 36 -8.140 3.338 2.202 1.00 0.42 H new ATOM 0 HG13 ILE A 36 -8.992 4.710 1.522 1.00 0.42 H new ATOM 0 HG21 ILE A 36 -5.338 4.084 1.711 1.00 0.30 H new ATOM 0 HG22 ILE A 36 -5.067 5.129 3.127 1.00 0.30 H new ATOM 0 HG23 ILE A 36 -5.965 3.603 3.306 1.00 0.30 H new ATOM 0 HD11 ILE A 36 -8.195 3.211 -0.243 1.00 0.95 H new ATOM 0 HD12 ILE A 36 -7.388 4.793 -0.354 1.00 0.95 H new ATOM 0 HD13 ILE A 36 -6.523 3.400 0.337 1.00 0.95 H new ATOM 577 N PRO A 37 -8.999 4.162 5.137 1.00 0.37 N ATOM 578 CA PRO A 37 -9.093 3.121 6.179 1.00 0.39 C ATOM 579 C PRO A 37 -8.241 1.898 5.796 1.00 0.36 C ATOM 580 O PRO A 37 -8.462 1.309 4.736 1.00 0.35 O ATOM 581 CB PRO A 37 -10.613 2.754 6.147 1.00 0.45 C ATOM 582 CG PRO A 37 -11.259 4.012 5.682 1.00 0.49 C ATOM 583 CD PRO A 37 -10.329 4.568 4.640 1.00 0.45 C ATOM 0 HA PRO A 37 -8.738 3.446 7.157 1.00 0.39 H new ATOM 0 HB2 PRO A 37 -10.812 1.925 5.468 1.00 0.45 H new ATOM 0 HB3 PRO A 37 -10.976 2.455 7.131 1.00 0.45 H new ATOM 0 HG2 PRO A 37 -12.247 3.817 5.265 1.00 0.49 H new ATOM 0 HG3 PRO A 37 -11.393 4.714 6.505 1.00 0.49 H new ATOM 0 HD2 PRO A 37 -10.535 4.155 3.653 1.00 0.45 H new ATOM 0 HD3 PRO A 37 -10.416 5.651 4.557 1.00 0.45 H new ATOM 591 N PRO A 38 -7.289 1.455 6.659 1.00 0.35 N ATOM 592 CA PRO A 38 -6.433 0.312 6.322 1.00 0.33 C ATOM 593 C PRO A 38 -7.221 -0.969 5.976 1.00 0.32 C ATOM 594 O PRO A 38 -6.857 -1.656 5.022 1.00 0.32 O ATOM 595 CB PRO A 38 -5.480 0.134 7.553 1.00 0.34 C ATOM 596 CG PRO A 38 -6.200 0.899 8.709 1.00 0.36 C ATOM 597 CD PRO A 38 -6.972 2.032 7.985 1.00 0.38 C ATOM 0 HA PRO A 38 -5.871 0.502 5.407 1.00 0.33 H new ATOM 0 HB2 PRO A 38 -5.340 -0.919 7.799 1.00 0.34 H new ATOM 0 HB3 PRO A 38 -4.492 0.550 7.355 1.00 0.34 H new ATOM 0 HG2 PRO A 38 -6.875 0.245 9.260 1.00 0.36 H new ATOM 0 HG3 PRO A 38 -5.486 1.299 9.428 1.00 0.36 H new ATOM 0 HD2 PRO A 38 -7.876 2.309 8.527 1.00 0.38 H new ATOM 0 HD3 PRO A 38 -6.366 2.934 7.894 1.00 0.38 H new ATOM 605 N ASP A 39 -8.289 -1.317 6.718 1.00 0.32 N ATOM 606 CA ASP A 39 -9.033 -2.542 6.400 1.00 0.35 C ATOM 607 C ASP A 39 -9.878 -2.388 5.137 1.00 0.37 C ATOM 608 O ASP A 39 -10.267 -3.383 4.526 1.00 0.40 O ATOM 609 CB ASP A 39 -9.930 -2.976 7.574 1.00 0.39 C ATOM 610 CG ASP A 39 -10.555 -4.340 7.343 1.00 0.45 C ATOM 611 OD1 ASP A 39 -11.646 -4.398 6.738 1.00 0.49 O ATOM 612 OD2 ASP A 39 -9.953 -5.348 7.768 1.00 0.47 O ATOM 0 H ASP A 39 -8.644 -0.787 7.514 1.00 0.32 H new ATOM 0 HA ASP A 39 -8.287 -3.316 6.220 1.00 0.35 H new ATOM 0 HB2 ASP A 39 -9.341 -2.999 8.491 1.00 0.39 H new ATOM 0 HB3 ASP A 39 -10.718 -2.237 7.720 1.00 0.39 H new ATOM 617 N GLN A 40 -10.165 -1.148 4.743 1.00 0.37 N ATOM 618 CA GLN A 40 -10.976 -0.909 3.546 1.00 0.40 C ATOM 619 C GLN A 40 -10.078 -0.484 2.375 1.00 0.37 C ATOM 620 O GLN A 40 -10.555 0.002 1.349 1.00 0.37 O ATOM 621 CB GLN A 40 -12.064 0.170 3.894 1.00 0.44 C ATOM 622 CG GLN A 40 -12.619 1.036 2.737 1.00 0.91 C ATOM 623 CD GLN A 40 -13.428 0.229 1.740 1.00 1.46 C ATOM 624 OE1 GLN A 40 -13.155 -0.949 1.505 1.00 1.94 O ATOM 625 NE2 GLN A 40 -14.435 0.861 1.149 1.00 2.07 N ATOM 0 H GLN A 40 -9.855 -0.304 5.225 1.00 0.37 H new ATOM 0 HA GLN A 40 -11.484 -1.821 3.232 1.00 0.40 H new ATOM 0 HB2 GLN A 40 -12.905 -0.341 4.362 1.00 0.44 H new ATOM 0 HB3 GLN A 40 -11.642 0.841 4.642 1.00 0.44 H new ATOM 0 HG2 GLN A 40 -13.243 1.829 3.149 1.00 0.91 H new ATOM 0 HG3 GLN A 40 -11.790 1.519 2.220 1.00 0.91 H new ATOM 0 HE21 GLN A 40 -14.626 1.838 1.373 1.00 2.07 H new ATOM 0 HE22 GLN A 40 -15.018 0.370 0.471 1.00 2.07 H new ATOM 634 N GLN A 41 -8.771 -0.709 2.514 1.00 0.35 N ATOM 635 CA GLN A 41 -7.825 -0.313 1.444 1.00 0.32 C ATOM 636 C GLN A 41 -6.933 -1.513 1.049 1.00 0.28 C ATOM 637 O GLN A 41 -6.401 -2.190 1.929 1.00 0.30 O ATOM 638 CB GLN A 41 -6.996 0.937 1.867 1.00 0.40 C ATOM 639 CG GLN A 41 -5.568 0.668 2.525 1.00 0.40 C ATOM 640 CD GLN A 41 -4.447 0.614 1.485 1.00 0.67 C ATOM 641 OE1 GLN A 41 -4.654 0.117 0.379 1.00 1.17 O ATOM 642 NE2 GLN A 41 -3.242 1.128 1.820 1.00 0.82 N ATOM 0 H GLN A 41 -8.342 -1.150 3.328 1.00 0.35 H new ATOM 0 HA GLN A 41 -8.390 -0.024 0.558 1.00 0.32 H new ATOM 0 HB2 GLN A 41 -6.851 1.562 0.986 1.00 0.40 H new ATOM 0 HB3 GLN A 41 -7.591 1.516 2.573 1.00 0.40 H new ATOM 0 HG2 GLN A 41 -5.351 1.454 3.249 1.00 0.40 H new ATOM 0 HG3 GLN A 41 -5.596 -0.273 3.074 1.00 0.40 H new ATOM 0 HE21 GLN A 41 -3.100 1.534 2.745 1.00 0.82 H new ATOM 0 HE22 GLN A 41 -2.475 1.110 1.148 1.00 0.82 H new ATOM 651 N ARG A 42 -6.762 -1.790 -0.260 1.00 0.24 N ATOM 652 CA ARG A 42 -5.978 -2.959 -0.687 1.00 0.22 C ATOM 653 C ARG A 42 -4.791 -2.578 -1.583 1.00 0.20 C ATOM 654 O ARG A 42 -4.951 -2.012 -2.656 1.00 0.21 O ATOM 655 CB ARG A 42 -6.898 -4.008 -1.435 1.00 0.23 C ATOM 656 CG ARG A 42 -6.123 -5.088 -2.272 1.00 0.26 C ATOM 657 CD ARG A 42 -5.742 -6.333 -1.448 1.00 0.53 C ATOM 658 NE ARG A 42 -6.923 -7.031 -0.943 1.00 0.74 N ATOM 659 CZ ARG A 42 -6.936 -7.741 0.182 1.00 1.39 C ATOM 660 NH1 ARG A 42 -5.838 -7.842 0.919 1.00 2.22 N ATOM 661 NH2 ARG A 42 -8.049 -8.348 0.571 1.00 1.56 N ATOM 0 H ARG A 42 -7.148 -1.232 -1.022 1.00 0.24 H new ATOM 0 HA ARG A 42 -5.574 -3.409 0.220 1.00 0.22 H new ATOM 0 HB2 ARG A 42 -7.518 -4.517 -0.697 1.00 0.23 H new ATOM 0 HB3 ARG A 42 -7.572 -3.469 -2.100 1.00 0.23 H new ATOM 0 HG2 ARG A 42 -6.739 -5.394 -3.118 1.00 0.26 H new ATOM 0 HG3 ARG A 42 -5.218 -4.640 -2.682 1.00 0.26 H new ATOM 0 HD2 ARG A 42 -5.155 -7.012 -2.066 1.00 0.53 H new ATOM 0 HD3 ARG A 42 -5.110 -6.036 -0.611 1.00 0.53 H new ATOM 0 HE ARG A 42 -7.786 -6.970 -1.484 1.00 0.74 H new ATOM 0 HH11 ARG A 42 -4.981 -7.375 0.624 1.00 2.22 H new ATOM 0 HH12 ARG A 42 -5.851 -8.387 1.781 1.00 2.22 H new ATOM 0 HH21 ARG A 42 -8.896 -8.271 0.008 1.00 1.56 H new ATOM 0 HH22 ARG A 42 -8.058 -8.892 1.434 1.00 1.56 H new ATOM 675 N LEU A 43 -3.610 -2.954 -1.136 1.00 0.19 N ATOM 676 CA LEU A 43 -2.365 -2.682 -1.903 1.00 0.18 C ATOM 677 C LEU A 43 -2.048 -3.886 -2.798 1.00 0.18 C ATOM 678 O LEU A 43 -1.880 -5.009 -2.315 1.00 0.19 O ATOM 679 CB LEU A 43 -1.138 -2.378 -0.995 1.00 0.19 C ATOM 680 CG LEU A 43 -1.242 -1.121 -0.154 1.00 0.21 C ATOM 681 CD1 LEU A 43 0.134 -0.765 0.354 1.00 0.26 C ATOM 682 CD2 LEU A 43 -1.830 0.022 -0.958 1.00 0.19 C ATOM 0 H LEU A 43 -3.464 -3.446 -0.255 1.00 0.19 H new ATOM 0 HA LEU A 43 -2.548 -1.788 -2.499 1.00 0.18 H new ATOM 0 HB2 LEU A 43 -0.982 -3.227 -0.330 1.00 0.19 H new ATOM 0 HB3 LEU A 43 -0.252 -2.300 -1.626 1.00 0.19 H new ATOM 0 HG LEU A 43 -1.909 -1.302 0.689 1.00 0.21 H new ATOM 0 HD11 LEU A 43 0.075 0.138 0.961 1.00 0.26 H new ATOM 0 HD12 LEU A 43 0.522 -1.585 0.959 1.00 0.26 H new ATOM 0 HD13 LEU A 43 0.800 -0.591 -0.491 1.00 0.26 H new ATOM 0 HD21 LEU A 43 -1.894 0.912 -0.332 1.00 0.19 H new ATOM 0 HD22 LEU A 43 -1.192 0.228 -1.818 1.00 0.19 H new ATOM 0 HD23 LEU A 43 -2.827 -0.251 -1.303 1.00 0.19 H new ATOM 694 N ILE A 44 -1.996 -3.639 -4.104 1.00 0.19 N ATOM 695 CA ILE A 44 -1.770 -4.700 -5.097 1.00 0.21 C ATOM 696 C ILE A 44 -0.589 -4.454 -6.071 1.00 0.25 C ATOM 697 O ILE A 44 -0.280 -3.313 -6.415 1.00 0.26 O ATOM 698 CB ILE A 44 -3.087 -4.899 -5.909 1.00 0.23 C ATOM 699 CG1 ILE A 44 -2.914 -5.858 -7.101 1.00 0.47 C ATOM 700 CG2 ILE A 44 -3.628 -3.563 -6.395 1.00 0.39 C ATOM 701 CD1 ILE A 44 -3.629 -7.147 -6.853 1.00 0.63 C ATOM 0 H ILE A 44 -2.107 -2.709 -4.507 1.00 0.19 H new ATOM 0 HA ILE A 44 -1.490 -5.592 -4.536 1.00 0.21 H new ATOM 0 HB ILE A 44 -3.803 -5.355 -5.226 1.00 0.23 H new ATOM 0 HG12 ILE A 44 -3.299 -5.392 -8.008 1.00 0.47 H new ATOM 0 HG13 ILE A 44 -1.854 -6.051 -7.268 1.00 0.47 H new ATOM 0 HG21 ILE A 44 -4.547 -3.726 -6.959 1.00 0.39 H new ATOM 0 HG22 ILE A 44 -3.837 -2.922 -5.539 1.00 0.39 H new ATOM 0 HG23 ILE A 44 -2.889 -3.083 -7.036 1.00 0.39 H new ATOM 0 HD11 ILE A 44 -3.493 -7.809 -7.708 1.00 0.63 H new ATOM 0 HD12 ILE A 44 -3.224 -7.621 -5.959 1.00 0.63 H new ATOM 0 HD13 ILE A 44 -4.692 -6.952 -6.711 1.00 0.63 H new ATOM 713 N PHE A 45 0.062 -5.558 -6.506 1.00 0.28 N ATOM 714 CA PHE A 45 1.202 -5.491 -7.499 1.00 0.35 C ATOM 715 C PHE A 45 1.013 -6.598 -8.576 1.00 0.38 C ATOM 716 O PHE A 45 0.988 -7.780 -8.235 1.00 0.38 O ATOM 717 CB PHE A 45 2.648 -5.695 -6.855 1.00 0.40 C ATOM 718 CG PHE A 45 3.745 -5.992 -7.924 1.00 0.57 C ATOM 719 CD1 PHE A 45 4.463 -4.954 -8.554 1.00 0.64 C ATOM 720 CD2 PHE A 45 4.096 -7.307 -8.279 1.00 0.90 C ATOM 721 CE1 PHE A 45 5.475 -5.233 -9.472 1.00 0.76 C ATOM 722 CE2 PHE A 45 5.095 -7.573 -9.191 1.00 1.08 C ATOM 723 CZ PHE A 45 5.658 -6.516 -9.922 1.00 0.96 C ATOM 0 H PHE A 45 -0.166 -6.504 -6.199 1.00 0.28 H new ATOM 0 HA PHE A 45 1.166 -4.485 -7.917 1.00 0.35 H new ATOM 0 HB2 PHE A 45 2.923 -4.800 -6.297 1.00 0.40 H new ATOM 0 HB3 PHE A 45 2.611 -6.517 -6.140 1.00 0.40 H new ATOM 0 HD1 PHE A 45 4.225 -3.926 -8.322 1.00 0.64 H new ATOM 0 HD2 PHE A 45 3.568 -8.132 -7.824 1.00 0.90 H new ATOM 0 HE1 PHE A 45 6.115 -4.439 -9.829 1.00 0.76 H new ATOM 0 HE2 PHE A 45 5.441 -8.585 -9.341 1.00 1.08 H new ATOM 0 HZ PHE A 45 6.224 -6.709 -10.821 1.00 0.96 H new ATOM 733 N ALA A 46 0.884 -6.222 -9.869 1.00 0.43 N ATOM 734 CA ALA A 46 0.719 -7.195 -10.962 1.00 0.47 C ATOM 735 C ALA A 46 -0.286 -8.314 -10.649 1.00 0.43 C ATOM 736 O ALA A 46 0.045 -9.496 -10.756 1.00 0.45 O ATOM 737 CB ALA A 46 2.073 -7.794 -11.364 1.00 0.54 C ATOM 0 H ALA A 46 0.892 -5.249 -10.176 1.00 0.43 H new ATOM 0 HA ALA A 46 0.302 -6.634 -11.799 1.00 0.47 H new ATOM 0 HB1 ALA A 46 1.928 -8.510 -12.173 1.00 0.54 H new ATOM 0 HB2 ALA A 46 2.738 -6.998 -11.699 1.00 0.54 H new ATOM 0 HB3 ALA A 46 2.516 -8.300 -10.506 1.00 0.54 H new ATOM 743 N GLY A 47 -1.506 -7.943 -10.268 1.00 0.39 N ATOM 744 CA GLY A 47 -2.546 -8.953 -9.999 1.00 0.36 C ATOM 745 C GLY A 47 -2.345 -9.787 -8.726 1.00 0.31 C ATOM 746 O GLY A 47 -2.963 -10.846 -8.609 1.00 0.31 O ATOM 0 H GLY A 47 -1.802 -6.976 -10.139 1.00 0.39 H new ATOM 0 HA2 GLY A 47 -3.510 -8.448 -9.933 1.00 0.36 H new ATOM 0 HA3 GLY A 47 -2.599 -9.630 -10.851 1.00 0.36 H new ATOM 750 N LYS A 48 -1.507 -9.358 -7.762 1.00 0.30 N ATOM 751 CA LYS A 48 -1.375 -10.132 -6.497 1.00 0.27 C ATOM 752 C LYS A 48 -1.691 -9.205 -5.318 1.00 0.24 C ATOM 753 O LYS A 48 -1.317 -8.030 -5.322 1.00 0.23 O ATOM 754 CB LYS A 48 0.036 -10.770 -6.339 1.00 0.30 C ATOM 755 CG LYS A 48 0.364 -11.888 -7.370 1.00 0.35 C ATOM 756 CD LYS A 48 1.853 -12.257 -7.368 1.00 0.98 C ATOM 757 CE LYS A 48 2.172 -13.400 -8.344 1.00 1.07 C ATOM 758 NZ LYS A 48 1.007 -14.309 -8.536 1.00 1.14 N ATOM 0 H LYS A 48 -0.931 -8.518 -7.821 1.00 0.30 H new ATOM 0 HA LYS A 48 -2.083 -10.960 -6.521 1.00 0.27 H new ATOM 0 HB2 LYS A 48 0.787 -9.984 -6.425 1.00 0.30 H new ATOM 0 HB3 LYS A 48 0.122 -11.185 -5.335 1.00 0.30 H new ATOM 0 HG2 LYS A 48 -0.229 -12.774 -7.144 1.00 0.35 H new ATOM 0 HG3 LYS A 48 0.074 -11.557 -8.367 1.00 0.35 H new ATOM 0 HD2 LYS A 48 2.443 -11.380 -7.634 1.00 0.98 H new ATOM 0 HD3 LYS A 48 2.151 -12.548 -6.361 1.00 0.98 H new ATOM 0 HE2 LYS A 48 2.470 -12.983 -9.306 1.00 1.07 H new ATOM 0 HE3 LYS A 48 3.020 -13.972 -7.968 1.00 1.07 H new ATOM 0 HZ1 LYS A 48 1.309 -15.154 -9.062 1.00 1.14 H new ATOM 0 HZ2 LYS A 48 0.632 -14.594 -7.609 1.00 1.14 H new ATOM 0 HZ3 LYS A 48 0.265 -13.815 -9.072 1.00 1.14 H new ATOM 772 N GLN A 49 -2.360 -9.753 -4.300 1.00 0.23 N ATOM 773 CA GLN A 49 -2.816 -8.964 -3.148 1.00 0.22 C ATOM 774 C GLN A 49 -1.876 -9.066 -1.945 1.00 0.21 C ATOM 775 O GLN A 49 -1.442 -10.147 -1.549 1.00 0.24 O ATOM 776 CB GLN A 49 -4.284 -9.350 -2.800 1.00 0.27 C ATOM 777 CG GLN A 49 -4.585 -9.699 -1.331 1.00 0.84 C ATOM 778 CD GLN A 49 -3.871 -10.951 -0.854 1.00 1.79 C ATOM 779 OE1 GLN A 49 -3.508 -11.063 0.316 1.00 2.45 O ATOM 780 NE2 GLN A 49 -3.672 -11.903 -1.759 1.00 2.51 N ATOM 0 H GLN A 49 -2.599 -10.743 -4.249 1.00 0.23 H new ATOM 0 HA GLN A 49 -2.794 -7.910 -3.427 1.00 0.22 H new ATOM 0 HB2 GLN A 49 -4.930 -8.522 -3.091 1.00 0.27 H new ATOM 0 HB3 GLN A 49 -4.565 -10.205 -3.416 1.00 0.27 H new ATOM 0 HG2 GLN A 49 -4.295 -8.860 -0.698 1.00 0.84 H new ATOM 0 HG3 GLN A 49 -5.660 -9.833 -1.209 1.00 0.84 H new ATOM 0 HE21 GLN A 49 -3.990 -11.769 -2.719 1.00 2.51 H new ATOM 0 HE22 GLN A 49 -3.202 -12.768 -1.494 1.00 2.51 H new ATOM 789 N LEU A 50 -1.544 -7.894 -1.410 1.00 0.18 N ATOM 790 CA LEU A 50 -0.631 -7.745 -0.275 1.00 0.18 C ATOM 791 C LEU A 50 -1.368 -7.912 1.054 1.00 0.18 C ATOM 792 O LEU A 50 -2.435 -7.334 1.258 1.00 0.18 O ATOM 793 CB LEU A 50 0.053 -6.350 -0.343 1.00 0.20 C ATOM 794 CG LEU A 50 0.803 -6.061 -1.677 1.00 0.29 C ATOM 795 CD1 LEU A 50 1.670 -4.817 -1.579 1.00 0.84 C ATOM 796 CD2 LEU A 50 1.659 -7.258 -2.080 1.00 0.77 C ATOM 0 H LEU A 50 -1.906 -7.006 -1.757 1.00 0.18 H new ATOM 0 HA LEU A 50 0.127 -8.526 -0.332 1.00 0.18 H new ATOM 0 HB2 LEU A 50 -0.704 -5.581 -0.193 1.00 0.20 H new ATOM 0 HB3 LEU A 50 0.760 -6.266 0.482 1.00 0.20 H new ATOM 0 HG LEU A 50 0.046 -5.885 -2.442 1.00 0.29 H new ATOM 0 HD11 LEU A 50 2.176 -4.650 -2.530 1.00 0.84 H new ATOM 0 HD12 LEU A 50 1.045 -3.955 -1.345 1.00 0.84 H new ATOM 0 HD13 LEU A 50 2.412 -4.952 -0.792 1.00 0.84 H new ATOM 0 HD21 LEU A 50 2.176 -7.038 -3.014 1.00 0.77 H new ATOM 0 HD22 LEU A 50 2.392 -7.461 -1.299 1.00 0.77 H new ATOM 0 HD23 LEU A 50 1.022 -8.132 -2.215 1.00 0.77 H new ATOM 808 N GLU A 51 -0.790 -8.706 1.955 1.00 0.17 N ATOM 809 CA GLU A 51 -1.393 -8.955 3.244 1.00 0.17 C ATOM 810 C GLU A 51 -0.658 -8.107 4.271 1.00 0.17 C ATOM 811 O GLU A 51 0.561 -8.203 4.420 1.00 0.18 O ATOM 812 CB GLU A 51 -1.246 -10.452 3.644 1.00 0.17 C ATOM 813 CG GLU A 51 -2.429 -11.080 4.403 1.00 0.67 C ATOM 814 CD GLU A 51 -2.916 -10.207 5.542 1.00 1.19 C ATOM 815 OE1 GLU A 51 -2.386 -10.345 6.665 1.00 1.45 O ATOM 816 OE2 GLU A 51 -3.827 -9.384 5.312 1.00 1.49 O ATOM 0 H GLU A 51 0.098 -9.185 1.806 1.00 0.17 H new ATOM 0 HA GLU A 51 -2.454 -8.708 3.201 1.00 0.17 H new ATOM 0 HB2 GLU A 51 -1.076 -11.032 2.737 1.00 0.17 H new ATOM 0 HB3 GLU A 51 -0.353 -10.554 4.260 1.00 0.17 H new ATOM 0 HG2 GLU A 51 -3.250 -11.257 3.708 1.00 0.67 H new ATOM 0 HG3 GLU A 51 -2.130 -12.052 4.796 1.00 0.67 H new ATOM 823 N ASP A 52 -1.414 -7.266 4.950 1.00 0.19 N ATOM 824 CA ASP A 52 -0.878 -6.370 5.969 1.00 0.23 C ATOM 825 C ASP A 52 0.154 -7.077 6.844 1.00 0.24 C ATOM 826 O ASP A 52 1.069 -6.452 7.372 1.00 0.30 O ATOM 827 CB ASP A 52 -2.025 -5.850 6.853 1.00 0.26 C ATOM 828 CG ASP A 52 -3.110 -5.149 6.057 1.00 0.29 C ATOM 829 OD1 ASP A 52 -3.193 -5.377 4.832 1.00 0.84 O ATOM 830 OD2 ASP A 52 -3.877 -4.370 6.661 1.00 0.72 O ATOM 0 H ASP A 52 -2.421 -7.181 4.814 1.00 0.19 H new ATOM 0 HA ASP A 52 -0.387 -5.538 5.464 1.00 0.23 H new ATOM 0 HB2 ASP A 52 -2.464 -6.685 7.399 1.00 0.26 H new ATOM 0 HB3 ASP A 52 -1.622 -5.160 7.595 1.00 0.26 H new ATOM 835 N GLY A 53 -0.018 -8.389 6.992 1.00 0.20 N ATOM 836 CA GLY A 53 0.888 -9.183 7.831 1.00 0.22 C ATOM 837 C GLY A 53 2.335 -9.461 7.309 1.00 0.25 C ATOM 838 O GLY A 53 3.216 -9.617 8.155 1.00 0.28 O ATOM 0 H GLY A 53 -0.766 -8.923 6.549 1.00 0.20 H new ATOM 0 HA2 GLY A 53 0.974 -8.680 8.794 1.00 0.22 H new ATOM 0 HA3 GLY A 53 0.411 -10.146 8.015 1.00 0.22 H new ATOM 842 N ARG A 54 2.654 -9.536 5.975 1.00 0.27 N ATOM 843 CA ARG A 54 4.076 -9.848 5.600 1.00 0.32 C ATOM 844 C ARG A 54 4.847 -8.537 5.382 1.00 0.32 C ATOM 845 O ARG A 54 4.233 -7.502 5.123 1.00 0.31 O ATOM 846 CB ARG A 54 4.179 -10.752 4.274 1.00 0.37 C ATOM 847 CG ARG A 54 5.676 -11.262 3.829 1.00 0.96 C ATOM 848 CD ARG A 54 6.232 -12.587 4.520 1.00 1.95 C ATOM 849 NE ARG A 54 5.847 -12.657 5.927 1.00 2.48 N ATOM 850 CZ ARG A 54 6.145 -13.676 6.726 1.00 3.39 C ATOM 851 NH1 ARG A 54 6.828 -14.713 6.257 1.00 3.81 N ATOM 852 NH2 ARG A 54 5.764 -13.659 7.996 1.00 3.98 N ATOM 0 H ARG A 54 2.006 -9.398 5.199 1.00 0.27 H new ATOM 0 HA ARG A 54 4.511 -10.419 6.421 1.00 0.32 H new ATOM 0 HB2 ARG A 54 3.550 -11.631 4.415 1.00 0.37 H new ATOM 0 HB3 ARG A 54 3.754 -10.186 3.445 1.00 0.37 H new ATOM 0 HG2 ARG A 54 5.672 -11.420 2.751 1.00 0.96 H new ATOM 0 HG3 ARG A 54 6.381 -10.455 4.030 1.00 0.96 H new ATOM 0 HD2 ARG A 54 5.850 -13.461 3.993 1.00 1.95 H new ATOM 0 HD3 ARG A 54 7.318 -12.614 4.437 1.00 1.95 H new ATOM 0 HE ARG A 54 5.318 -11.878 6.319 1.00 2.48 H new ATOM 0 HH11 ARG A 54 7.125 -14.729 5.281 1.00 3.81 H new ATOM 0 HH12 ARG A 54 7.056 -15.494 6.872 1.00 3.81 H new ATOM 0 HH21 ARG A 54 5.241 -12.863 8.361 1.00 3.98 H new ATOM 0 HH22 ARG A 54 5.994 -14.442 8.608 1.00 3.98 H new ATOM 866 N THR A 55 6.188 -8.566 5.483 1.00 0.35 N ATOM 867 CA THR A 55 6.963 -7.314 5.283 1.00 0.38 C ATOM 868 C THR A 55 7.401 -7.173 3.819 1.00 0.42 C ATOM 869 O THR A 55 7.539 -8.167 3.106 1.00 0.44 O ATOM 870 CB THR A 55 8.201 -7.180 6.221 1.00 0.44 C ATOM 871 OG1 THR A 55 9.167 -8.187 5.910 1.00 0.81 O ATOM 872 CG2 THR A 55 7.782 -7.319 7.677 1.00 0.65 C ATOM 0 H THR A 55 6.742 -9.396 5.691 1.00 0.35 H new ATOM 0 HA THR A 55 6.283 -6.504 5.548 1.00 0.38 H new ATOM 0 HB THR A 55 8.641 -6.195 6.067 1.00 0.44 H new ATOM 0 HG1 THR A 55 9.886 -7.795 5.372 1.00 0.81 H new ATOM 0 HG21 THR A 55 8.658 -7.223 8.318 1.00 0.65 H new ATOM 0 HG22 THR A 55 7.063 -6.538 7.925 1.00 0.65 H new ATOM 0 HG23 THR A 55 7.324 -8.296 7.832 1.00 0.65 H new ATOM 880 N LEU A 56 7.616 -5.927 3.386 1.00 0.43 N ATOM 881 CA LEU A 56 7.995 -5.675 1.988 1.00 0.49 C ATOM 882 C LEU A 56 9.341 -6.339 1.634 1.00 0.53 C ATOM 883 O LEU A 56 9.642 -6.501 0.451 1.00 0.59 O ATOM 884 CB LEU A 56 7.970 -4.152 1.590 1.00 0.51 C ATOM 885 CG LEU A 56 7.286 -3.170 2.583 1.00 0.51 C ATOM 886 CD1 LEU A 56 8.286 -2.574 3.579 1.00 0.50 C ATOM 887 CD2 LEU A 56 6.592 -1.983 1.878 1.00 0.79 C ATOM 0 H LEU A 56 7.537 -5.092 3.967 1.00 0.43 H new ATOM 0 HA LEU A 56 7.221 -6.147 1.383 1.00 0.49 H new ATOM 0 HB2 LEU A 56 8.999 -3.824 1.445 1.00 0.51 H new ATOM 0 HB3 LEU A 56 7.468 -4.063 0.627 1.00 0.51 H new ATOM 0 HG LEU A 56 6.542 -3.778 3.097 1.00 0.51 H new ATOM 0 HD11 LEU A 56 7.766 -1.894 4.254 1.00 0.50 H new ATOM 0 HD12 LEU A 56 8.747 -3.376 4.156 1.00 0.50 H new ATOM 0 HD13 LEU A 56 9.058 -2.028 3.037 1.00 0.50 H new ATOM 0 HD21 LEU A 56 6.134 -1.334 2.624 1.00 0.79 H new ATOM 0 HD22 LEU A 56 7.329 -1.417 1.308 1.00 0.79 H new ATOM 0 HD23 LEU A 56 5.823 -2.360 1.203 1.00 0.79 H new ATOM 899 N SER A 57 10.156 -6.725 2.634 1.00 0.54 N ATOM 900 CA SER A 57 11.450 -7.357 2.361 1.00 0.63 C ATOM 901 C SER A 57 11.255 -8.708 1.688 1.00 0.73 C ATOM 902 O SER A 57 11.857 -9.007 0.650 1.00 0.79 O ATOM 903 CB SER A 57 12.234 -7.556 3.684 1.00 0.71 C ATOM 904 OG SER A 57 11.465 -8.312 4.603 1.00 1.71 O ATOM 0 H SER A 57 9.941 -6.610 3.624 1.00 0.54 H new ATOM 0 HA SER A 57 12.014 -6.704 1.695 1.00 0.63 H new ATOM 0 HB2 SER A 57 13.177 -8.065 3.483 1.00 0.71 H new ATOM 0 HB3 SER A 57 12.481 -6.587 4.117 1.00 0.71 H new ATOM 0 HG SER A 57 11.972 -8.431 5.433 1.00 1.71 H new ATOM 910 N ASP A 58 10.357 -9.496 2.260 1.00 0.77 N ATOM 911 CA ASP A 58 10.091 -10.834 1.748 1.00 0.87 C ATOM 912 C ASP A 58 9.516 -10.724 0.352 1.00 0.87 C ATOM 913 O ASP A 58 9.632 -11.646 -0.456 1.00 0.92 O ATOM 914 CB ASP A 58 9.102 -11.612 2.662 1.00 0.93 C ATOM 915 CG ASP A 58 9.800 -12.696 3.461 1.00 1.06 C ATOM 916 OD1 ASP A 58 10.289 -12.394 4.571 1.00 1.11 O ATOM 917 OD2 ASP A 58 9.857 -13.846 2.979 1.00 1.15 O ATOM 0 H ASP A 58 9.802 -9.235 3.075 1.00 0.77 H new ATOM 0 HA ASP A 58 11.030 -11.387 1.729 1.00 0.87 H new ATOM 0 HB2 ASP A 58 8.615 -10.916 3.344 1.00 0.93 H new ATOM 0 HB3 ASP A 58 8.319 -12.060 2.050 1.00 0.93 H new ATOM 922 N TYR A 59 8.894 -9.589 0.072 1.00 0.84 N ATOM 923 CA TYR A 59 8.336 -9.350 -1.232 1.00 0.84 C ATOM 924 C TYR A 59 9.344 -8.583 -2.092 1.00 0.82 C ATOM 925 O TYR A 59 8.927 -7.734 -2.849 1.00 0.80 O ATOM 926 CB TYR A 59 7.025 -8.525 -1.102 1.00 0.88 C ATOM 927 CG TYR A 59 5.815 -9.238 -1.573 1.00 0.80 C ATOM 928 CD1 TYR A 59 5.691 -9.724 -2.868 1.00 1.19 C ATOM 929 CD2 TYR A 59 4.777 -9.375 -0.709 1.00 0.66 C ATOM 930 CE1 TYR A 59 4.527 -10.342 -3.275 1.00 1.47 C ATOM 931 CE2 TYR A 59 3.617 -9.988 -1.094 1.00 0.95 C ATOM 932 CZ TYR A 59 3.486 -10.470 -2.381 1.00 1.36 C ATOM 933 OH TYR A 59 2.317 -11.084 -2.771 1.00 1.77 O ATOM 0 H TYR A 59 8.768 -8.825 0.736 1.00 0.84 H new ATOM 0 HA TYR A 59 8.112 -10.306 -1.705 1.00 0.84 H new ATOM 0 HB2 TYR A 59 6.886 -8.245 -0.058 1.00 0.88 H new ATOM 0 HB3 TYR A 59 7.132 -7.600 -1.668 1.00 0.88 H new ATOM 0 HD1 TYR A 59 6.512 -9.617 -3.562 1.00 1.19 H new ATOM 0 HD2 TYR A 59 4.869 -8.994 0.297 1.00 0.66 H new ATOM 0 HE1 TYR A 59 4.433 -10.721 -4.282 1.00 1.47 H new ATOM 0 HE2 TYR A 59 2.804 -10.095 -0.392 1.00 0.95 H new ATOM 0 HH TYR A 59 1.686 -11.093 -2.021 1.00 1.77 H new ATOM 943 N ASN A 60 10.628 -9.032 -2.066 1.00 0.84 N ATOM 944 CA ASN A 60 11.786 -8.433 -2.850 1.00 0.84 C ATOM 945 C ASN A 60 11.552 -7.093 -3.605 1.00 0.76 C ATOM 946 O ASN A 60 12.401 -6.697 -4.400 1.00 0.80 O ATOM 947 CB ASN A 60 12.224 -9.430 -3.957 1.00 0.95 C ATOM 948 CG ASN A 60 11.025 -9.876 -4.839 1.00 1.01 C ATOM 949 OD1 ASN A 60 10.895 -11.072 -5.101 1.00 1.12 O ATOM 950 ND2 ASN A 60 10.138 -8.950 -5.332 1.00 0.96 N ATOM 0 H ASN A 60 10.910 -9.830 -1.498 1.00 0.84 H new ATOM 0 HA ASN A 60 12.512 -8.232 -2.062 1.00 0.84 H new ATOM 0 HB2 ASN A 60 12.984 -8.965 -4.585 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.682 -10.305 -3.497 1.00 0.95 H new ATOM 0 HD21 ASN A 60 9.362 -9.251 -5.922 1.00 0.96 H new ATOM 0 HD22 ASN A 60 10.256 -7.962 -5.108 1.00 0.96 H new ATOM 957 N ILE A 61 10.447 -6.413 -3.385 1.00 0.68 N ATOM 958 CA ILE A 61 10.170 -5.171 -4.105 1.00 0.63 C ATOM 959 C ILE A 61 11.154 -4.080 -3.682 1.00 0.50 C ATOM 960 O ILE A 61 11.342 -3.842 -2.488 1.00 0.42 O ATOM 961 CB ILE A 61 8.702 -4.685 -3.895 1.00 0.59 C ATOM 962 CG1 ILE A 61 7.691 -5.696 -4.486 1.00 0.84 C ATOM 963 CG2 ILE A 61 8.499 -3.350 -4.563 1.00 0.61 C ATOM 964 CD1 ILE A 61 6.242 -5.215 -4.497 1.00 0.92 C ATOM 0 H ILE A 61 9.725 -6.690 -2.720 1.00 0.68 H new ATOM 0 HA ILE A 61 10.297 -5.377 -5.168 1.00 0.63 H new ATOM 0 HB ILE A 61 8.532 -4.597 -2.822 1.00 0.59 H new ATOM 0 HG12 ILE A 61 7.989 -5.933 -5.507 1.00 0.84 H new ATOM 0 HG13 ILE A 61 7.748 -6.623 -3.915 1.00 0.84 H new ATOM 0 HG21 ILE A 61 7.472 -3.019 -4.411 1.00 0.61 H new ATOM 0 HG22 ILE A 61 9.183 -2.619 -4.131 1.00 0.61 H new ATOM 0 HG23 ILE A 61 8.695 -3.444 -5.631 1.00 0.61 H new ATOM 0 HD11 ILE A 61 5.605 -5.988 -4.928 1.00 0.92 H new ATOM 0 HD12 ILE A 61 5.920 -5.007 -3.477 1.00 0.92 H new ATOM 0 HD13 ILE A 61 6.165 -4.306 -5.094 1.00 0.92 H new ATOM 976 N GLN A 62 11.783 -3.413 -4.656 1.00 0.51 N ATOM 977 CA GLN A 62 12.775 -2.364 -4.319 1.00 0.44 C ATOM 978 C GLN A 62 12.151 -0.959 -4.340 1.00 0.31 C ATOM 979 O GLN A 62 11.000 -0.766 -4.721 1.00 0.29 O ATOM 980 CB GLN A 62 14.012 -2.381 -5.299 1.00 0.56 C ATOM 981 CG GLN A 62 15.007 -3.565 -5.135 1.00 1.16 C ATOM 982 CD GLN A 62 14.361 -4.907 -5.409 1.00 1.77 C ATOM 983 OE1 GLN A 62 13.426 -5.009 -6.202 1.00 2.24 O ATOM 984 NE2 GLN A 62 14.863 -5.948 -4.755 1.00 2.50 N ATOM 0 H GLN A 62 11.637 -3.566 -5.654 1.00 0.51 H new ATOM 0 HA GLN A 62 13.116 -2.593 -3.309 1.00 0.44 H new ATOM 0 HB2 GLN A 62 13.637 -2.389 -6.322 1.00 0.56 H new ATOM 0 HB3 GLN A 62 14.564 -1.450 -5.169 1.00 0.56 H new ATOM 0 HG2 GLN A 62 15.848 -3.425 -5.814 1.00 1.16 H new ATOM 0 HG3 GLN A 62 15.410 -3.559 -4.122 1.00 1.16 H new ATOM 0 HE21 GLN A 62 15.639 -5.817 -4.106 1.00 2.50 H new ATOM 0 HE22 GLN A 62 14.472 -6.879 -4.901 1.00 2.50 H new ATOM 993 N LYS A 63 12.967 0.002 -3.915 1.00 0.30 N ATOM 994 CA LYS A 63 12.603 1.429 -3.843 1.00 0.24 C ATOM 995 C LYS A 63 11.936 1.990 -5.110 1.00 0.21 C ATOM 996 O LYS A 63 12.313 1.660 -6.235 1.00 0.24 O ATOM 997 CB LYS A 63 13.849 2.276 -3.513 1.00 0.34 C ATOM 998 CG LYS A 63 15.167 1.578 -3.821 1.00 1.31 C ATOM 999 CD LYS A 63 15.344 1.344 -5.315 1.00 1.67 C ATOM 1000 CE LYS A 63 16.523 0.429 -5.601 1.00 2.63 C ATOM 1001 NZ LYS A 63 17.788 0.947 -5.010 1.00 2.96 N ATOM 0 H LYS A 63 13.920 -0.185 -3.603 1.00 0.30 H new ATOM 0 HA LYS A 63 11.857 1.494 -3.051 1.00 0.24 H new ATOM 0 HB2 LYS A 63 13.802 3.208 -4.076 1.00 0.34 H new ATOM 0 HB3 LYS A 63 13.827 2.540 -2.456 1.00 0.34 H new ATOM 0 HG2 LYS A 63 15.994 2.181 -3.446 1.00 1.31 H new ATOM 0 HG3 LYS A 63 15.205 0.623 -3.296 1.00 1.31 H new ATOM 0 HD2 LYS A 63 14.434 0.906 -5.726 1.00 1.67 H new ATOM 0 HD3 LYS A 63 15.493 2.299 -5.819 1.00 1.67 H new ATOM 0 HE2 LYS A 63 16.316 -0.564 -5.202 1.00 2.63 H new ATOM 0 HE3 LYS A 63 16.644 0.320 -6.679 1.00 2.63 H new ATOM 0 HZ1 LYS A 63 18.589 0.380 -5.354 1.00 2.96 H new ATOM 0 HZ2 LYS A 63 17.921 1.940 -5.290 1.00 2.96 H new ATOM 0 HZ3 LYS A 63 17.738 0.883 -3.973 1.00 2.96 H new ATOM 1015 N GLU A 64 10.921 2.841 -4.877 1.00 0.19 N ATOM 1016 CA GLU A 64 10.185 3.553 -5.946 1.00 0.21 C ATOM 1017 C GLU A 64 9.158 2.679 -6.679 1.00 0.24 C ATOM 1018 O GLU A 64 8.962 2.836 -7.884 1.00 0.31 O ATOM 1019 CB GLU A 64 11.170 4.199 -6.965 1.00 0.25 C ATOM 1020 CG GLU A 64 10.530 5.263 -7.873 1.00 0.30 C ATOM 1021 CD GLU A 64 11.451 5.685 -9.001 1.00 1.40 C ATOM 1022 OE1 GLU A 64 12.279 6.596 -8.783 1.00 1.59 O ATOM 1023 OE2 GLU A 64 11.344 5.108 -10.104 1.00 2.25 O ATOM 0 H GLU A 64 10.584 3.058 -3.939 1.00 0.19 H new ATOM 0 HA GLU A 64 9.618 4.336 -5.442 1.00 0.21 H new ATOM 0 HB2 GLU A 64 11.995 4.654 -6.417 1.00 0.25 H new ATOM 0 HB3 GLU A 64 11.596 3.414 -7.589 1.00 0.25 H new ATOM 0 HG2 GLU A 64 9.603 4.871 -8.291 1.00 0.30 H new ATOM 0 HG3 GLU A 64 10.266 6.136 -7.276 1.00 0.30 H new ATOM 1030 N SER A 65 8.502 1.752 -5.975 1.00 0.24 N ATOM 1031 CA SER A 65 7.491 0.899 -6.626 1.00 0.28 C ATOM 1032 C SER A 65 6.111 1.575 -6.592 1.00 0.20 C ATOM 1033 O SER A 65 5.805 2.329 -5.645 1.00 0.17 O ATOM 1034 CB SER A 65 7.426 -0.453 -5.892 1.00 0.41 C ATOM 1035 OG SER A 65 8.499 -0.559 -4.976 1.00 1.30 O ATOM 0 H SER A 65 8.643 1.572 -4.981 1.00 0.24 H new ATOM 0 HA SER A 65 7.773 0.744 -7.667 1.00 0.28 H new ATOM 0 HB2 SER A 65 6.477 -0.544 -5.365 1.00 0.41 H new ATOM 0 HB3 SER A 65 7.470 -1.270 -6.613 1.00 0.41 H new ATOM 0 HG SER A 65 9.325 -0.761 -5.462 1.00 1.30 H new ATOM 1041 N THR A 66 5.272 1.354 -7.623 1.00 0.23 N ATOM 1042 CA THR A 66 3.925 1.933 -7.594 1.00 0.19 C ATOM 1043 C THR A 66 2.856 0.864 -7.379 1.00 0.18 C ATOM 1044 O THR A 66 2.720 -0.067 -8.173 1.00 0.23 O ATOM 1045 CB THR A 66 3.598 2.753 -8.869 1.00 0.25 C ATOM 1046 OG1 THR A 66 4.290 4.005 -8.828 1.00 0.25 O ATOM 1047 CG2 THR A 66 2.102 3.020 -8.972 1.00 0.33 C ATOM 0 H THR A 66 5.494 0.802 -8.451 1.00 0.23 H new ATOM 0 HA THR A 66 3.916 2.618 -6.746 1.00 0.19 H new ATOM 0 HB THR A 66 3.917 2.175 -9.737 1.00 0.25 H new ATOM 0 HG1 THR A 66 4.083 4.520 -9.636 1.00 0.25 H new ATOM 0 HG21 THR A 66 1.897 3.597 -9.874 1.00 0.33 H new ATOM 0 HG22 THR A 66 1.566 2.072 -9.017 1.00 0.33 H new ATOM 0 HG23 THR A 66 1.772 3.583 -8.099 1.00 0.33 H new ATOM 1055 N LEU A 67 2.102 1.014 -6.291 1.00 0.17 N ATOM 1056 CA LEU A 67 1.026 0.071 -5.939 1.00 0.20 C ATOM 1057 C LEU A 67 -0.372 0.698 -6.133 1.00 0.20 C ATOM 1058 O LEU A 67 -0.534 1.914 -6.027 1.00 0.19 O ATOM 1059 CB LEU A 67 1.257 -0.359 -4.468 1.00 0.22 C ATOM 1060 CG LEU A 67 2.508 -1.223 -4.323 1.00 0.24 C ATOM 1061 CD1 LEU A 67 3.266 -0.915 -3.039 1.00 0.30 C ATOM 1062 CD2 LEU A 67 2.170 -2.708 -4.384 1.00 0.31 C ATOM 0 H LEU A 67 2.213 1.783 -5.630 1.00 0.17 H new ATOM 0 HA LEU A 67 1.055 -0.796 -6.599 1.00 0.20 H new ATOM 0 HB2 LEU A 67 1.352 0.527 -3.840 1.00 0.22 H new ATOM 0 HB3 LEU A 67 0.389 -0.912 -4.110 1.00 0.22 H new ATOM 0 HG LEU A 67 3.154 -0.978 -5.166 1.00 0.24 H new ATOM 0 HD11 LEU A 67 4.148 -1.552 -2.976 1.00 0.30 H new ATOM 0 HD12 LEU A 67 3.572 0.131 -3.039 1.00 0.30 H new ATOM 0 HD13 LEU A 67 2.620 -1.104 -2.181 1.00 0.30 H new ATOM 0 HD21 LEU A 67 3.083 -3.294 -4.278 1.00 0.31 H new ATOM 0 HD22 LEU A 67 1.482 -2.958 -3.576 1.00 0.31 H new ATOM 0 HD23 LEU A 67 1.703 -2.936 -5.342 1.00 0.31 H new ATOM 1074 N HIS A 68 -1.375 -0.146 -6.421 1.00 0.21 N ATOM 1075 CA HIS A 68 -2.764 0.323 -6.625 1.00 0.21 C ATOM 1076 C HIS A 68 -3.578 0.034 -5.352 1.00 0.20 C ATOM 1077 O HIS A 68 -3.653 -1.120 -4.924 1.00 0.20 O ATOM 1078 CB HIS A 68 -3.451 -0.337 -7.880 1.00 0.22 C ATOM 1079 CG HIS A 68 -3.963 0.679 -8.852 1.00 0.24 C ATOM 1080 ND1 HIS A 68 -3.233 1.119 -9.937 1.00 0.86 N ATOM 1081 CD2 HIS A 68 -5.143 1.344 -8.900 1.00 0.92 C ATOM 1082 CE1 HIS A 68 -3.940 2.010 -10.610 1.00 0.62 C ATOM 1083 NE2 HIS A 68 -5.103 2.163 -10.002 1.00 0.56 N ATOM 0 H HIS A 68 -1.256 -1.154 -6.519 1.00 0.21 H new ATOM 0 HA HIS A 68 -2.733 1.395 -6.821 1.00 0.21 H new ATOM 0 HB2 HIS A 68 -2.735 -0.987 -8.382 1.00 0.22 H new ATOM 0 HB3 HIS A 68 -4.277 -0.967 -7.549 1.00 0.22 H new ATOM 0 HD2 HIS A 68 -5.962 1.248 -8.202 1.00 0.92 H new ATOM 0 HE1 HIS A 68 -3.621 2.525 -11.504 1.00 0.62 H new ATOM 0 HE2 HIS A 68 -5.851 2.788 -10.302 1.00 0.56 H new ATOM 1092 N SER A 69 -4.149 1.059 -4.714 1.00 0.21 N ATOM 1093 CA SER A 69 -4.959 0.816 -3.490 1.00 0.21 C ATOM 1094 C SER A 69 -6.383 0.516 -3.927 1.00 0.22 C ATOM 1095 O SER A 69 -6.979 1.304 -4.661 1.00 0.24 O ATOM 1096 CB SER A 69 -4.956 2.027 -2.522 1.00 0.23 C ATOM 1097 OG SER A 69 -5.586 1.686 -1.300 1.00 0.26 O ATOM 0 H SER A 69 -4.078 2.035 -5.001 1.00 0.21 H new ATOM 0 HA SER A 69 -4.521 -0.021 -2.946 1.00 0.21 H new ATOM 0 HB2 SER A 69 -3.931 2.347 -2.333 1.00 0.23 H new ATOM 0 HB3 SER A 69 -5.473 2.869 -2.982 1.00 0.23 H new ATOM 0 HG SER A 69 -5.049 1.013 -0.832 1.00 0.26 H new ATOM 1103 N VAL A 70 -6.945 -0.616 -3.489 1.00 0.23 N ATOM 1104 CA VAL A 70 -8.301 -0.967 -3.950 1.00 0.27 C ATOM 1105 C VAL A 70 -9.296 -1.163 -2.799 1.00 0.29 C ATOM 1106 O VAL A 70 -8.929 -1.522 -1.682 1.00 0.27 O ATOM 1107 CB VAL A 70 -8.280 -2.247 -4.849 1.00 0.32 C ATOM 1108 CG1 VAL A 70 -6.861 -2.771 -4.997 1.00 0.89 C ATOM 1109 CG2 VAL A 70 -9.189 -3.340 -4.297 1.00 0.99 C ATOM 0 H VAL A 70 -6.511 -1.279 -2.847 1.00 0.23 H new ATOM 0 HA VAL A 70 -8.643 -0.115 -4.538 1.00 0.27 H new ATOM 0 HB VAL A 70 -8.659 -1.963 -5.831 1.00 0.32 H new ATOM 0 HG11 VAL A 70 -6.866 -3.662 -5.625 1.00 0.89 H new ATOM 0 HG12 VAL A 70 -6.237 -2.005 -5.457 1.00 0.89 H new ATOM 0 HG13 VAL A 70 -6.462 -3.022 -4.014 1.00 0.89 H new ATOM 0 HG21 VAL A 70 -9.147 -4.212 -4.949 1.00 0.99 H new ATOM 0 HG22 VAL A 70 -8.857 -3.619 -3.297 1.00 0.99 H new ATOM 0 HG23 VAL A 70 -10.214 -2.972 -4.250 1.00 0.99 H new ATOM 1119 N LEU A 71 -10.568 -0.918 -3.116 1.00 0.36 N ATOM 1120 CA LEU A 71 -11.677 -1.049 -2.138 1.00 0.41 C ATOM 1121 C LEU A 71 -12.330 -2.422 -2.254 1.00 0.48 C ATOM 1122 O LEU A 71 -12.316 -3.033 -3.323 1.00 0.52 O ATOM 1123 CB LEU A 71 -12.756 0.064 -2.298 1.00 0.49 C ATOM 1124 CG LEU A 71 -12.551 1.283 -1.401 1.00 0.55 C ATOM 1125 CD1 LEU A 71 -11.271 2.010 -1.766 1.00 0.91 C ATOM 1126 CD2 LEU A 71 -13.734 2.216 -1.521 1.00 0.86 C ATOM 0 H LEU A 71 -10.869 -0.625 -4.046 1.00 0.36 H new ATOM 0 HA LEU A 71 -11.236 -0.933 -1.148 1.00 0.41 H new ATOM 0 HB2 LEU A 71 -12.769 0.392 -3.337 1.00 0.49 H new ATOM 0 HB3 LEU A 71 -13.736 -0.365 -2.087 1.00 0.49 H new ATOM 0 HG LEU A 71 -12.468 0.943 -0.369 1.00 0.55 H new ATOM 0 HD11 LEU A 71 -11.145 2.875 -1.114 1.00 0.91 H new ATOM 0 HD12 LEU A 71 -10.423 1.337 -1.643 1.00 0.91 H new ATOM 0 HD13 LEU A 71 -11.324 2.342 -2.803 1.00 0.91 H new ATOM 0 HD21 LEU A 71 -13.580 3.083 -0.878 1.00 0.86 H new ATOM 0 HD22 LEU A 71 -13.835 2.544 -2.555 1.00 0.86 H new ATOM 0 HD23 LEU A 71 -14.641 1.694 -1.216 1.00 0.86 H new