USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 180:sc= 0.0741 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 1 MET CE :methyl 149:sc=-0.00109 (180deg=-1) USER MOD Single : A 1 MET N :NH3+ 176:sc= 2.38 (180deg=2.36) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= 1.01 (180deg=-0.135!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 25 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.27) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 1.98 (180deg=1.53) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.135) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.141 (180deg=-0.791) USER MOD Single : A 40 GLN : amide:sc= -0.047 X(o=-0.047,f=-0.49) USER MOD Single : A 41 GLN : amide:sc= 0.467 K(o=0.47,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0657 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.655 USER MOD Single : A 60 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.089) 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 72:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0421 X(o=0.042,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.921 -7.227 -4.456 1.00 9.67 N ATOM 2 CA MET A 1 11.800 -7.503 -3.005 1.00 10.38 C ATOM 3 C MET A 1 10.334 -7.591 -2.528 1.00 9.62 C ATOM 4 O MET A 1 9.405 -7.111 -3.152 1.00 9.62 O ATOM 5 CB MET A 1 12.568 -6.448 -2.131 1.00 13.77 C ATOM 6 CG MET A 1 12.075 -4.992 -2.183 1.00 16.29 C ATOM 7 SD MET A 1 10.973 -4.408 -0.837 1.00 17.17 S ATOM 8 CE MET A 1 10.700 -2.740 -1.312 1.00 16.11 C ATOM 0 H1 MET A 1 12.924 -7.112 -4.705 1.00 9.67 H new ATOM 0 H2 MET A 1 11.519 -8.021 -4.995 1.00 9.67 H new ATOM 0 H3 MET A 1 11.405 -6.355 -4.688 1.00 9.67 H new ATOM 0 HA MET A 1 12.262 -8.480 -2.866 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.531 -6.779 -1.093 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.616 -6.460 -2.432 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.951 -4.343 -2.203 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.552 -4.850 -3.129 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.709 -2.426 -0.985 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.454 -2.102 -0.850 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.768 -2.655 -2.397 1.00 16.11 H new ATOM 20 N GLN A 2 10.134 -8.432 -1.449 1.00 9.27 N ATOM 21 CA GLN A 2 8.801 -8.742 -1.027 1.00 9.07 C ATOM 22 C GLN A 2 8.402 -7.782 0.108 1.00 8.72 C ATOM 23 O GLN A 2 9.102 -7.741 1.112 1.00 8.22 O ATOM 24 CB GLN A 2 8.792 -10.153 -0.463 1.00 14.46 C ATOM 25 CG GLN A 2 7.420 -10.622 0.160 1.00 17.01 C ATOM 26 CD GLN A 2 7.350 -12.107 0.353 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.135 -12.859 -0.611 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.595 -12.618 1.569 1.00 19.49 N ATOM 0 H GLN A 2 10.877 -8.870 -0.904 1.00 9.27 H new ATOM 0 HA GLN A 2 8.113 -8.651 -1.868 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.067 -10.846 -1.258 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.564 -10.225 0.303 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.274 -10.128 1.120 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.604 -10.305 -0.489 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.771 -11.996 2.358 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.605 -13.629 1.705 1.00 19.49 H new ATOM 37 N ILE A 3 7.249 -7.080 0.005 1.00 5.87 N ATOM 38 CA ILE A 3 6.648 -6.442 1.178 1.00 5.07 C ATOM 39 C ILE A 3 5.325 -7.180 1.393 1.00 4.01 C ATOM 40 O ILE A 3 4.782 -7.927 0.558 1.00 4.61 O ATOM 41 CB ILE A 3 6.517 -4.946 1.117 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.540 -4.579 -0.007 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.966 -4.329 0.948 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.319 -3.063 -0.253 1.00 10.83 C ATOM 0 H ILE A 3 6.732 -6.948 -0.864 1.00 5.87 H new ATOM 0 HA ILE A 3 7.312 -6.537 2.037 1.00 5.07 H new ATOM 0 HB ILE A 3 6.099 -4.526 2.032 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.899 -5.028 -0.933 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.575 -5.035 0.215 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.896 -3.242 0.901 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.585 -4.616 1.798 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.416 -4.703 0.028 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.610 -2.926 -1.070 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.924 -2.601 0.652 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.268 -2.595 -0.514 1.00 10.83 H new ATOM 56 N PHE A 4 4.766 -6.997 2.624 1.00 4.55 N ATOM 57 CA PHE A 4 3.585 -7.632 3.114 1.00 4.68 C ATOM 58 C PHE A 4 2.497 -6.533 3.205 1.00 5.30 C ATOM 59 O PHE A 4 2.748 -5.408 3.658 1.00 5.58 O ATOM 60 CB PHE A 4 3.747 -8.168 4.564 1.00 4.83 C ATOM 61 CG PHE A 4 4.797 -9.218 4.581 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.523 -10.513 4.107 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.038 -8.879 5.120 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.500 -11.526 4.199 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.035 -9.892 5.192 1.00 10.61 C ATOM 66 CZ PHE A 4 6.742 -11.196 4.820 1.00 8.90 C ATOM 0 H PHE A 4 5.176 -6.362 3.309 1.00 4.55 H new ATOM 0 HA PHE A 4 3.350 -8.463 2.449 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.018 -7.355 5.237 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.802 -8.576 4.922 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.560 -10.733 3.670 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.236 -7.878 5.472 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.315 -12.517 3.813 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.027 -9.644 5.539 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.467 -11.975 5.004 1.00 8.90 H new ATOM 76 N VAL A 5 1.321 -6.755 2.644 1.00 4.44 N ATOM 77 CA VAL A 5 0.274 -5.739 2.867 1.00 3.87 C ATOM 78 C VAL A 5 -0.787 -6.461 3.697 1.00 4.93 C ATOM 79 O VAL A 5 -1.330 -7.528 3.379 1.00 6.84 O ATOM 80 CB VAL A 5 -0.197 -5.162 1.534 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.346 -4.164 1.786 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.934 -4.390 0.871 1.00 9.13 C ATOM 0 H VAL A 5 1.065 -7.560 2.072 1.00 4.44 H new ATOM 0 HA VAL A 5 0.605 -4.854 3.411 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.522 -5.985 0.898 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.684 -3.751 0.836 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.174 -4.678 2.273 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.993 -3.357 2.428 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.588 -3.982 -0.079 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.249 -3.575 1.523 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.776 -5.059 0.694 1.00 9.13 H new ATOM 92 N LYS A 6 -1.123 -5.854 4.854 1.00 6.04 N ATOM 93 CA LYS A 6 -2.078 -6.368 5.896 1.00 6.12 C ATOM 94 C LYS A 6 -3.431 -5.694 5.827 1.00 6.57 C ATOM 95 O LYS A 6 -3.614 -4.512 6.025 1.00 5.76 O ATOM 96 CB LYS A 6 -1.470 -6.227 7.317 1.00 7.45 C ATOM 97 CG LYS A 6 -1.995 -7.292 8.295 1.00 11.12 C ATOM 98 CD LYS A 6 -1.004 -7.529 9.513 1.00 14.54 C ATOM 99 CE LYS A 6 -1.311 -8.846 10.210 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.579 -8.983 11.454 1.00 20.55 N ATOM 0 H LYS A 6 -0.726 -4.951 5.113 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.238 -7.425 5.683 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.385 -6.302 7.253 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.698 -5.236 7.709 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.969 -6.984 8.676 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.143 -8.231 7.762 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.025 -7.533 9.155 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.091 -6.707 10.224 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.381 -8.911 10.409 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.060 -9.674 9.548 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.816 -9.893 11.898 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.442 -8.947 11.262 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.838 -8.207 12.096 1.00 20.55 H new ATOM 114 N THR A 7 -4.503 -6.433 5.561 1.00 7.41 N ATOM 115 CA THR A 7 -5.902 -5.984 5.397 1.00 7.48 C ATOM 116 C THR A 7 -6.532 -5.619 6.766 1.00 8.75 C ATOM 117 O THR A 7 -6.073 -6.007 7.865 1.00 8.58 O ATOM 118 CB THR A 7 -6.820 -6.786 4.524 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.442 -7.884 5.200 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.979 -7.402 3.372 1.00 9.17 C ATOM 0 H THR A 7 -4.421 -7.443 5.443 1.00 7.41 H new ATOM 0 HA THR A 7 -5.795 -5.088 4.786 1.00 7.48 H new ATOM 0 HB THR A 7 -7.600 -6.104 4.185 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.027 -8.363 4.577 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.627 -7.991 2.723 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.515 -6.603 2.793 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.204 -8.044 3.790 1.00 9.17 H new ATOM 128 N LEU A 8 -7.666 -4.868 6.728 1.00 9.84 N ATOM 129 CA LEU A 8 -8.427 -4.552 7.906 1.00 14.15 C ATOM 130 C LEU A 8 -8.982 -5.706 8.717 1.00 17.37 C ATOM 131 O LEU A 8 -9.014 -5.681 9.942 1.00 17.01 O ATOM 132 CB LEU A 8 -9.759 -3.884 7.565 1.00 16.63 C ATOM 133 CG LEU A 8 -9.579 -2.467 6.943 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.989 -1.863 6.630 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.749 -1.522 7.785 1.00 18.59 C ATOM 0 H LEU A 8 -8.054 -4.479 5.868 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.676 -3.975 8.444 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.309 -4.515 6.867 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.363 -3.806 8.469 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.009 -2.590 6.022 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.871 -0.871 6.194 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.513 -2.509 5.926 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.566 -1.788 7.552 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.672 -0.558 7.282 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.225 -1.387 8.756 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.752 -1.939 7.924 1.00 18.59 H new ATOM 147 N THR A 9 -9.368 -6.810 8.058 1.00 18.33 N ATOM 148 CA THR A 9 -9.927 -7.940 8.857 1.00 19.24 C ATOM 149 C THR A 9 -8.796 -8.987 9.117 1.00 19.48 C ATOM 150 O THR A 9 -9.036 -9.982 9.747 1.00 23.14 O ATOM 151 CB THR A 9 -11.049 -8.501 8.027 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.657 -8.825 6.703 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.212 -7.521 7.885 1.00 19.70 C ATOM 0 H THR A 9 -9.316 -6.954 7.050 1.00 18.33 H new ATOM 0 HA THR A 9 -10.301 -7.637 9.835 1.00 19.24 H new ATOM 0 HB THR A 9 -11.347 -9.399 8.569 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.425 -9.186 6.213 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.996 -7.973 7.277 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.609 -7.282 8.872 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.862 -6.608 7.404 1.00 19.70 H new ATOM 161 N GLY A 10 -7.575 -8.701 8.710 1.00 19.43 N ATOM 162 CA GLY A 10 -6.419 -9.375 9.242 1.00 18.74 C ATOM 163 C GLY A 10 -5.747 -10.360 8.237 1.00 17.62 C ATOM 164 O GLY A 10 -5.092 -11.304 8.663 1.00 19.74 O ATOM 0 H GLY A 10 -7.362 -7.997 8.004 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.686 -8.630 9.551 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.711 -9.926 10.136 1.00 18.74 H new ATOM 168 N LYS A 11 -5.849 -10.132 6.922 1.00 13.56 N ATOM 169 CA LYS A 11 -5.272 -10.960 5.914 1.00 11.91 C ATOM 170 C LYS A 11 -3.961 -10.340 5.523 1.00 10.18 C ATOM 171 O LYS A 11 -3.886 -9.152 5.192 1.00 9.10 O ATOM 172 CB LYS A 11 -6.147 -11.088 4.600 1.00 13.43 C ATOM 173 CG LYS A 11 -5.515 -11.939 3.542 1.00 16.69 C ATOM 174 CD LYS A 11 -6.404 -12.352 2.335 1.00 17.92 C ATOM 175 CE LYS A 11 -6.845 -11.161 1.442 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.566 -11.669 0.267 1.00 21.93 N ATOM 0 H LYS A 11 -6.357 -9.334 6.542 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.180 -11.961 6.335 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.119 -11.507 4.860 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.327 -10.092 4.195 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.646 -11.406 3.155 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.146 -12.848 4.016 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.858 -13.070 1.723 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.292 -12.862 2.708 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.484 -10.485 2.009 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.974 -10.587 1.127 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.181 -10.922 -0.113 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.882 -11.958 -0.462 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.145 -12.488 0.542 1.00 21.93 H new ATOM 190 N THR A 12 -2.895 -11.169 5.557 1.00 9.63 N ATOM 191 CA THR A 12 -1.524 -10.906 5.060 1.00 9.85 C ATOM 192 C THR A 12 -1.356 -11.426 3.615 1.00 11.66 C ATOM 193 O THR A 12 -1.431 -12.592 3.389 1.00 12.33 O ATOM 194 CB THR A 12 -0.306 -11.252 5.898 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.429 -10.809 7.249 1.00 10.91 O ATOM 196 CG2 THR A 12 1.007 -10.678 5.351 1.00 9.63 C ATOM 0 H THR A 12 -2.973 -12.103 5.959 1.00 9.63 H new ATOM 0 HA THR A 12 -1.503 -9.818 5.130 1.00 9.85 H new ATOM 0 HB THR A 12 -0.267 -12.340 5.852 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.377 -11.056 7.749 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.831 -10.968 6.003 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.184 -11.067 4.348 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.940 -9.591 5.312 1.00 9.63 H new ATOM 204 N ILE A 13 -1.153 -10.432 2.617 1.00 10.42 N ATOM 205 CA ILE A 13 -0.933 -10.749 1.188 1.00 11.84 C ATOM 206 C ILE A 13 0.429 -10.162 0.687 1.00 10.55 C ATOM 207 O ILE A 13 0.834 -9.149 1.215 1.00 11.92 O ATOM 208 CB ILE A 13 -1.997 -10.346 0.254 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.566 -8.919 0.484 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.039 -11.487 0.142 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.797 -8.506 -0.294 1.00 16.46 C ATOM 0 H ILE A 13 -1.145 -9.432 2.820 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.931 -11.839 1.174 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.557 -10.218 -0.735 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.793 -8.818 1.545 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.774 -8.205 0.259 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.829 -11.192 -0.549 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.552 -12.390 -0.227 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.470 -11.683 1.124 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.072 -7.486 -0.025 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.586 -8.555 -1.362 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.621 -9.179 -0.055 1.00 16.46 H new ATOM 223 N THR A 14 1.121 -10.776 -0.245 1.00 9.39 N ATOM 224 CA THR A 14 2.557 -10.549 -0.509 1.00 9.63 C ATOM 225 C THR A 14 2.731 -9.898 -1.857 1.00 11.20 C ATOM 226 O THR A 14 2.139 -10.343 -2.852 1.00 11.63 O ATOM 227 CB THR A 14 3.445 -11.800 -0.449 1.00 10.38 C ATOM 228 OG1 THR A 14 2.972 -12.878 -1.235 1.00 16.30 O ATOM 229 CG2 THR A 14 3.385 -12.397 0.962 1.00 11.66 C ATOM 0 H THR A 14 0.706 -11.469 -0.867 1.00 9.39 H new ATOM 0 HA THR A 14 2.891 -9.904 0.304 1.00 9.63 H new ATOM 0 HB THR A 14 4.423 -11.455 -0.784 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.585 -13.638 -1.151 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.015 -13.286 1.008 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.741 -11.662 1.684 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.356 -12.668 1.199 1.00 11.66 H new ATOM 237 N LEU A 15 3.455 -8.815 -2.027 1.00 8.29 N ATOM 238 CA LEU A 15 3.615 -8.096 -3.254 1.00 9.03 C ATOM 239 C LEU A 15 5.085 -8.023 -3.607 1.00 8.59 C ATOM 240 O LEU A 15 5.890 -7.661 -2.748 1.00 7.79 O ATOM 241 CB LEU A 15 2.979 -6.631 -3.285 1.00 11.08 C ATOM 242 CG LEU A 15 1.497 -6.619 -2.895 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.947 -5.236 -2.850 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.569 -7.426 -3.836 1.00 15.27 C ATOM 0 H LEU A 15 3.977 -8.393 -1.259 1.00 8.29 H new ATOM 0 HA LEU A 15 3.050 -8.663 -3.994 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.534 -5.984 -2.605 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.090 -6.213 -4.285 1.00 11.08 H new ATOM 0 HG LEU A 15 1.499 -7.091 -1.913 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.106 -5.272 -2.570 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.498 -4.649 -2.115 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.045 -4.773 -3.832 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.459 -7.358 -3.479 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.630 -7.018 -4.845 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.881 -8.470 -3.847 1.00 15.27 H new ATOM 256 N GLU A 16 5.419 -8.261 -4.868 1.00 11.04 N ATOM 257 CA GLU A 16 6.724 -8.093 -5.368 1.00 11.50 C ATOM 258 C GLU A 16 6.936 -6.668 -5.864 1.00 10.13 C ATOM 259 O GLU A 16 6.140 -6.176 -6.670 1.00 9.83 O ATOM 260 CB GLU A 16 7.009 -9.143 -6.508 1.00 17.22 C ATOM 261 CG GLU A 16 8.401 -9.126 -7.158 1.00 23.33 C ATOM 262 CD GLU A 16 9.464 -9.530 -6.102 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.155 -10.374 -5.235 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.542 -8.883 -6.093 1.00 28.90 O ATOM 0 H GLU A 16 4.752 -8.584 -5.569 1.00 11.04 H new ATOM 0 HA GLU A 16 7.433 -8.268 -4.558 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.842 -10.139 -6.097 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.269 -8.994 -7.294 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.430 -9.815 -8.002 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.620 -8.133 -7.550 1.00 23.33 H new ATOM 271 N VAL A 17 7.891 -6.003 -5.266 1.00 8.99 N ATOM 272 CA VAL A 17 7.980 -4.623 -5.668 1.00 8.85 C ATOM 273 C VAL A 17 9.481 -4.320 -5.766 1.00 8.04 C ATOM 274 O VAL A 17 10.382 -5.062 -5.373 1.00 8.99 O ATOM 275 CB VAL A 17 7.392 -3.619 -4.696 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.886 -3.728 -4.653 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.940 -3.996 -3.283 1.00 10.54 C ATOM 0 H VAL A 17 8.555 -6.345 -4.571 1.00 8.99 H new ATOM 0 HA VAL A 17 7.410 -4.517 -6.591 1.00 8.85 H new ATOM 0 HB VAL A 17 7.660 -2.607 -4.999 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.488 -2.997 -3.949 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.479 -3.534 -5.645 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.603 -4.731 -4.334 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.545 -3.301 -2.542 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.629 -5.010 -3.031 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.029 -3.941 -3.288 1.00 10.54 H new ATOM 287 N GLU A 18 9.706 -3.194 -6.415 1.00 7.29 N ATOM 288 CA GLU A 18 11.028 -2.531 -6.404 1.00 7.08 C ATOM 289 C GLU A 18 11.036 -1.144 -5.705 1.00 6.45 C ATOM 290 O GLU A 18 9.992 -0.452 -5.734 1.00 5.28 O ATOM 291 CB GLU A 18 11.415 -2.358 -7.876 1.00 10.28 C ATOM 292 CG GLU A 18 12.981 -2.445 -8.157 1.00 12.65 C ATOM 293 CD GLU A 18 13.649 -3.744 -7.671 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.203 -4.832 -8.039 1.00 14.33 O ATOM 295 OE2 GLU A 18 14.593 -3.667 -6.840 1.00 18.17 O ATOM 0 H GLU A 18 8.998 -2.705 -6.963 1.00 7.29 H new ATOM 0 HA GLU A 18 11.727 -3.144 -5.834 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.909 -3.123 -8.465 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.048 -1.393 -8.225 1.00 10.28 H new ATOM 0 HG2 GLU A 18 13.150 -2.344 -9.229 1.00 12.65 H new ATOM 0 HG3 GLU A 18 13.471 -1.598 -7.676 1.00 12.65 H new ATOM 302 N PRO A 19 12.067 -0.646 -5.001 1.00 7.24 N ATOM 303 CA PRO A 19 12.244 0.703 -4.478 1.00 7.07 C ATOM 304 C PRO A 19 11.803 1.821 -5.362 1.00 6.65 C ATOM 305 O PRO A 19 11.203 2.789 -4.810 1.00 6.37 O ATOM 306 CB PRO A 19 13.716 0.801 -4.064 1.00 7.61 C ATOM 307 CG PRO A 19 13.981 -0.573 -3.468 1.00 8.16 C ATOM 308 CD PRO A 19 13.111 -1.514 -4.403 1.00 7.49 C ATOM 0 HA PRO A 19 11.570 0.842 -3.633 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.365 1.006 -4.916 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.882 1.597 -3.338 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.039 -0.833 -3.499 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.668 -0.632 -2.426 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.727 -1.972 -5.177 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.662 -2.326 -3.830 1.00 7.49 H new ATOM 316 N SER A 20 11.932 1.684 -6.683 1.00 6.80 N ATOM 317 CA SER A 20 11.570 2.741 -7.617 1.00 6.28 C ATOM 318 C SER A 20 10.165 2.660 -8.077 1.00 8.45 C ATOM 319 O SER A 20 9.714 3.478 -8.910 1.00 7.26 O ATOM 320 CB SER A 20 12.497 2.892 -8.896 1.00 8.57 C ATOM 321 OG SER A 20 13.825 3.255 -8.516 1.00 11.13 O ATOM 0 H SER A 20 12.289 0.839 -7.130 1.00 6.80 H new ATOM 0 HA SER A 20 11.720 3.628 -7.002 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.516 1.954 -9.451 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.084 3.649 -9.563 1.00 8.57 H new ATOM 0 HG SER A 20 14.382 3.342 -9.317 1.00 11.13 H new ATOM 327 N ASP A 21 9.335 1.678 -7.615 1.00 7.50 N ATOM 328 CA ASP A 21 7.890 1.549 -7.901 1.00 7.70 C ATOM 329 C ASP A 21 7.188 2.636 -7.023 1.00 7.08 C ATOM 330 O ASP A 21 7.682 2.988 -5.940 1.00 8.11 O ATOM 331 CB ASP A 21 7.462 0.057 -7.615 1.00 11.00 C ATOM 332 CG ASP A 21 7.871 -0.927 -8.589 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.220 -0.476 -9.704 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.791 -2.138 -8.352 1.00 18.03 O ATOM 0 H ASP A 21 9.677 0.931 -7.011 1.00 7.50 H new ATOM 0 HA ASP A 21 7.605 1.729 -8.938 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.866 -0.234 -6.645 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.376 0.023 -7.531 1.00 11.00 H new ATOM 339 N THR A 22 6.071 3.222 -7.484 1.00 5.37 N ATOM 340 CA THR A 22 5.290 4.192 -6.677 1.00 6.01 C ATOM 341 C THR A 22 4.357 3.505 -5.677 1.00 8.01 C ATOM 342 O THR A 22 4.102 2.319 -5.745 1.00 8.11 O ATOM 343 CB THR A 22 4.477 5.221 -7.466 1.00 8.92 C ATOM 344 OG1 THR A 22 3.532 4.689 -8.354 1.00 10.22 O ATOM 345 CG2 THR A 22 5.312 6.176 -8.201 1.00 9.65 C ATOM 0 H THR A 22 5.683 3.045 -8.411 1.00 5.37 H new ATOM 0 HA THR A 22 6.075 4.742 -6.158 1.00 6.01 H new ATOM 0 HB THR A 22 3.931 5.733 -6.674 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.063 5.419 -8.809 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.675 6.878 -8.739 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.943 6.723 -7.500 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.940 5.639 -8.911 1.00 9.65 H new ATOM 353 N ILE A 23 3.778 4.254 -4.723 1.00 8.32 N ATOM 354 CA ILE A 23 2.782 3.762 -3.762 1.00 9.92 C ATOM 355 C ILE A 23 1.476 3.420 -4.456 1.00 10.01 C ATOM 356 O ILE A 23 0.880 2.381 -4.179 1.00 8.71 O ATOM 357 CB ILE A 23 2.580 4.814 -2.637 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.840 5.115 -1.821 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.391 4.370 -1.659 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.561 3.908 -1.143 1.00 12.30 C ATOM 0 H ILE A 23 3.997 5.242 -4.598 1.00 8.32 H new ATOM 0 HA ILE A 23 3.148 2.841 -3.309 1.00 9.92 H new ATOM 0 HB ILE A 23 2.322 5.741 -3.150 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.556 5.610 -2.477 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.574 5.830 -1.042 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.264 5.119 -0.877 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.466 4.280 -2.229 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.633 3.409 -1.205 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.436 4.265 -0.599 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.877 3.419 -0.449 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.874 3.196 -1.906 1.00 12.30 H new ATOM 372 N GLU A 24 1.107 4.206 -5.477 1.00 9.54 N ATOM 373 CA GLU A 24 -0.042 3.844 -6.244 1.00 11.81 C ATOM 374 C GLU A 24 0.056 2.509 -7.062 1.00 11.14 C ATOM 375 O GLU A 24 -0.943 1.778 -7.266 1.00 10.62 O ATOM 376 CB GLU A 24 -0.569 5.055 -7.162 1.00 19.24 C ATOM 377 CG GLU A 24 -1.834 4.787 -7.953 1.00 27.76 C ATOM 378 CD GLU A 24 -2.328 5.981 -8.761 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.385 7.066 -8.158 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.584 5.812 -10.011 1.00 34.80 O ATOM 0 H GLU A 24 1.582 5.061 -5.766 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.787 3.629 -5.478 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.740 5.921 -6.523 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.222 5.326 -7.861 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.656 3.952 -8.631 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.621 4.477 -7.265 1.00 27.76 H new ATOM 387 N ASN A 25 1.303 2.133 -7.441 1.00 9.43 N ATOM 388 CA ASN A 25 1.634 0.845 -8.091 1.00 10.96 C ATOM 389 C ASN A 25 1.276 -0.313 -7.223 1.00 9.68 C ATOM 390 O ASN A 25 0.570 -1.290 -7.532 1.00 9.33 O ATOM 391 CB ASN A 25 3.148 0.941 -8.490 1.00 16.78 C ATOM 392 CG ASN A 25 3.478 -0.183 -9.510 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.752 -0.436 -10.494 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.574 -0.921 -9.261 1.00 24.70 N ATOM 0 H ASN A 25 2.119 2.728 -7.300 1.00 9.43 H new ATOM 0 HA ASN A 25 1.046 0.664 -8.991 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.361 1.918 -8.925 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.777 0.842 -7.605 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.819 -1.695 -9.878 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.161 -0.707 -8.455 1.00 24.70 H new ATOM 401 N VAL A 26 1.580 -0.158 -5.901 1.00 6.52 N ATOM 402 CA VAL A 26 1.143 -1.113 -4.865 1.00 5.53 C ATOM 403 C VAL A 26 -0.335 -1.244 -4.799 1.00 4.42 C ATOM 404 O VAL A 26 -0.934 -2.316 -4.786 1.00 3.40 O ATOM 405 CB VAL A 26 1.669 -0.642 -3.490 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.275 -1.564 -2.360 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.199 -0.526 -3.475 1.00 8.12 C ATOM 0 H VAL A 26 2.127 0.623 -5.539 1.00 6.52 H new ATOM 0 HA VAL A 26 1.549 -2.090 -5.127 1.00 5.53 H new ATOM 0 HB VAL A 26 1.209 0.334 -3.337 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.674 -1.180 -1.421 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.188 -1.619 -2.297 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.678 -2.560 -2.545 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.529 -0.192 -2.491 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.640 -1.498 -3.695 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.517 0.195 -4.228 1.00 8.12 H new ATOM 417 N LYS A 27 -0.992 -0.055 -4.866 1.00 2.64 N ATOM 418 CA LYS A 27 -2.426 -0.099 -4.859 1.00 4.14 C ATOM 419 C LYS A 27 -3.021 -0.801 -6.095 1.00 5.58 C ATOM 420 O LYS A 27 -4.006 -1.488 -5.878 1.00 4.11 O ATOM 421 CB LYS A 27 -3.019 1.320 -4.631 1.00 3.97 C ATOM 422 CG LYS A 27 -2.548 2.132 -3.441 1.00 7.45 C ATOM 423 CD LYS A 27 -3.313 3.402 -3.499 1.00 9.02 C ATOM 424 CE LYS A 27 -3.197 4.111 -2.142 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.108 5.285 -2.124 1.00 15.47 N ATOM 0 H LYS A 27 -0.564 0.869 -4.921 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.722 -0.722 -4.015 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.822 1.907 -5.528 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.101 1.215 -4.550 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.736 1.603 -2.506 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.475 2.318 -3.493 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.925 4.040 -4.293 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.359 3.202 -3.733 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.454 3.424 -1.336 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.169 4.431 -1.972 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.377 5.500 -1.143 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.624 6.107 -2.539 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.962 5.071 -2.678 1.00 15.47 H new ATOM 439 N ALA A 28 -2.501 -0.591 -7.290 1.00 6.61 N ATOM 440 CA ALA A 28 -2.826 -1.240 -8.550 1.00 7.74 C ATOM 441 C ALA A 28 -2.773 -2.753 -8.491 1.00 9.17 C ATOM 442 O ALA A 28 -3.566 -3.461 -9.050 1.00 11.45 O ATOM 443 CB ALA A 28 -1.969 -0.751 -9.731 1.00 7.68 C ATOM 0 H ALA A 28 -1.768 0.107 -7.416 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.860 -0.943 -8.725 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.266 -1.277 -10.638 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.116 0.320 -9.868 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.917 -0.949 -9.524 1.00 7.68 H new ATOM 449 N LYS A 29 -1.771 -3.352 -7.844 1.00 8.96 N ATOM 450 CA LYS A 29 -1.636 -4.767 -7.530 1.00 7.90 C ATOM 451 C LYS A 29 -2.671 -5.250 -6.565 1.00 6.92 C ATOM 452 O LYS A 29 -3.334 -6.237 -6.819 1.00 6.87 O ATOM 453 CB LYS A 29 -0.200 -5.108 -7.081 1.00 10.28 C ATOM 454 CG LYS A 29 0.924 -4.717 -8.056 1.00 14.94 C ATOM 455 CD LYS A 29 2.195 -4.762 -7.257 1.00 19.69 C ATOM 456 CE LYS A 29 3.413 -4.205 -8.003 1.00 22.63 C ATOM 457 NZ LYS A 29 3.644 -5.135 -9.171 1.00 24.98 N ATOM 0 H LYS A 29 -0.974 -2.815 -7.502 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.823 -5.315 -8.453 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.013 -4.616 -6.126 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.142 -6.182 -6.903 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.968 -5.407 -8.899 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.756 -3.722 -8.467 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.055 -4.197 -6.336 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.397 -5.794 -6.970 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.229 -3.186 -8.345 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.287 -4.170 -7.353 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.555 -4.910 -9.619 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.657 -6.119 -8.834 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.879 -5.017 -9.865 1.00 24.98 H new ATOM 471 N ILE A 30 -2.910 -4.489 -5.510 1.00 4.57 N ATOM 472 CA ILE A 30 -4.081 -4.648 -4.641 1.00 5.58 C ATOM 473 C ILE A 30 -5.416 -4.496 -5.402 1.00 7.26 C ATOM 474 O ILE A 30 -6.389 -5.178 -5.115 1.00 9.46 O ATOM 475 CB ILE A 30 -4.045 -3.831 -3.299 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.857 -4.193 -2.469 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.316 -4.093 -2.497 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.855 -5.661 -2.041 1.00 2.00 C ATOM 0 H ILE A 30 -2.292 -3.730 -5.223 1.00 4.57 H new ATOM 0 HA ILE A 30 -4.019 -5.685 -4.311 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.976 -2.774 -3.556 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.948 -3.983 -3.033 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.834 -3.561 -1.581 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.284 -3.523 -1.568 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.184 -3.787 -3.081 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.389 -5.156 -2.268 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.968 -5.864 -1.441 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.748 -5.869 -1.451 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.848 -6.298 -2.926 1.00 2.00 H new ATOM 490 N GLN A 31 -5.598 -3.615 -6.429 1.00 7.06 N ATOM 491 CA GLN A 31 -6.825 -3.561 -7.255 1.00 8.67 C ATOM 492 C GLN A 31 -6.941 -4.867 -8.050 1.00 10.90 C ATOM 493 O GLN A 31 -8.013 -5.446 -8.206 1.00 9.63 O ATOM 494 CB GLN A 31 -6.640 -2.371 -8.292 1.00 9.12 C ATOM 495 CG GLN A 31 -7.900 -2.210 -9.243 1.00 10.76 C ATOM 496 CD GLN A 31 -7.921 -0.947 -10.053 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.893 -0.197 -10.075 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.828 -0.696 -10.820 1.00 14.76 N ATOM 0 H GLN A 31 -4.895 -2.927 -6.700 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.708 -3.419 -6.632 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.474 -1.440 -7.750 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.751 -2.551 -8.896 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.935 -3.061 -9.923 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.804 -2.250 -8.635 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.028 -1.328 -10.791 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.807 0.125 -11.425 1.00 14.76 H new ATOM 507 N ASP A 32 -5.816 -5.439 -8.582 1.00 10.93 N ATOM 508 CA ASP A 32 -5.866 -6.715 -9.239 1.00 14.01 C ATOM 509 C ASP A 32 -6.278 -7.865 -8.385 1.00 14.04 C ATOM 510 O ASP A 32 -7.199 -8.612 -8.658 1.00 13.39 O ATOM 511 CB ASP A 32 -4.407 -7.022 -9.734 1.00 18.01 C ATOM 512 CG ASP A 32 -4.359 -7.973 -10.920 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.437 -7.477 -12.051 1.00 25.17 O ATOM 514 OD2 ASP A 32 -4.061 -9.221 -10.671 1.00 26.29 O ATOM 0 H ASP A 32 -4.889 -5.014 -8.552 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.619 -6.629 -10.023 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.920 -6.086 -10.008 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.835 -7.450 -8.911 1.00 18.01 H new ATOM 519 N LYS A 33 -5.672 -7.964 -7.231 1.00 14.22 N ATOM 520 CA LYS A 33 -5.980 -8.916 -6.205 1.00 14.00 C ATOM 521 C LYS A 33 -7.327 -8.819 -5.513 1.00 12.37 C ATOM 522 O LYS A 33 -8.118 -9.759 -5.512 1.00 12.17 O ATOM 523 CB LYS A 33 -4.908 -9.136 -5.159 1.00 18.62 C ATOM 524 CG LYS A 33 -3.618 -9.602 -5.746 1.00 24.00 C ATOM 525 CD LYS A 33 -2.334 -9.445 -4.928 1.00 27.61 C ATOM 526 CE LYS A 33 -1.101 -9.978 -5.636 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.363 -11.397 -6.041 1.00 30.06 N ATOM 0 H LYS A 33 -4.905 -7.344 -6.970 1.00 14.22 H new ATOM 0 HA LYS A 33 -6.033 -9.791 -6.852 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.740 -8.206 -4.615 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.259 -9.870 -4.434 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.728 -10.659 -5.987 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.475 -9.074 -6.689 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.185 -8.390 -4.698 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.451 -9.965 -3.977 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.874 -9.370 -6.512 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.234 -9.926 -4.978 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.460 -11.877 -6.227 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.865 -11.890 -5.275 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.946 -11.410 -6.902 1.00 30.06 H new ATOM 541 N GLU A 34 -7.599 -7.646 -4.888 1.00 10.11 N ATOM 542 CA GLU A 34 -8.753 -7.477 -3.964 1.00 10.07 C ATOM 543 C GLU A 34 -9.886 -6.747 -4.571 1.00 9.32 C ATOM 544 O GLU A 34 -10.994 -6.611 -3.968 1.00 11.61 O ATOM 545 CB GLU A 34 -8.272 -6.894 -2.639 1.00 14.77 C ATOM 546 CG GLU A 34 -7.084 -7.606 -1.903 1.00 18.75 C ATOM 547 CD GLU A 34 -7.331 -9.042 -1.521 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.382 -9.264 -0.842 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.550 -9.932 -1.875 1.00 21.95 O ATOM 0 H GLU A 34 -7.037 -6.803 -5.006 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.172 -8.461 -3.754 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.981 -5.859 -2.817 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.122 -6.873 -1.957 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.204 -7.564 -2.544 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.848 -7.043 -1.000 1.00 18.75 H new ATOM 556 N GLY A 35 -9.765 -6.244 -5.820 1.00 7.22 N ATOM 557 CA GLY A 35 -10.867 -5.534 -6.440 1.00 6.29 C ATOM 558 C GLY A 35 -11.226 -4.225 -5.849 1.00 6.93 C ATOM 559 O GLY A 35 -12.418 -3.872 -5.819 1.00 7.41 O ATOM 0 H GLY A 35 -8.926 -6.322 -6.395 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.624 -5.379 -7.491 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.747 -6.176 -6.408 1.00 6.29 H new ATOM 563 N ILE A 36 -10.249 -3.394 -5.400 1.00 5.86 N ATOM 564 CA ILE A 36 -10.539 -2.094 -4.766 1.00 6.07 C ATOM 565 C ILE A 36 -9.802 -1.006 -5.693 1.00 6.36 C ATOM 566 O ILE A 36 -8.570 -1.144 -5.860 1.00 6.18 O ATOM 567 CB ILE A 36 -9.822 -1.990 -3.403 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.261 -3.098 -2.429 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.160 -0.569 -2.792 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.392 -3.044 -1.170 1.00 9.49 C ATOM 0 H ILE A 36 -9.254 -3.608 -5.469 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.614 -1.962 -4.648 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.750 -2.113 -3.554 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.311 -2.970 -2.165 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.169 -4.074 -2.906 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.668 -0.462 -1.825 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.807 0.211 -3.467 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.238 -0.476 -2.662 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.702 -3.828 -0.480 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.347 -3.193 -1.442 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.507 -2.072 -0.690 1.00 9.49 H new ATOM 582 N PRO A 37 -10.457 0.066 -6.289 1.00 8.65 N ATOM 583 CA PRO A 37 -9.752 1.176 -6.873 1.00 9.18 C ATOM 584 C PRO A 37 -8.719 1.926 -6.005 1.00 9.85 C ATOM 585 O PRO A 37 -9.152 2.216 -4.901 1.00 8.51 O ATOM 586 CB PRO A 37 -10.819 2.164 -7.294 1.00 11.42 C ATOM 587 CG PRO A 37 -12.002 1.231 -7.589 1.00 9.27 C ATOM 588 CD PRO A 37 -11.887 0.200 -6.532 1.00 8.33 C ATOM 0 HA PRO A 37 -9.144 0.751 -7.672 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.049 2.880 -6.505 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.522 2.739 -8.171 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.954 1.758 -7.536 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.934 0.796 -8.586 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.414 0.502 -5.627 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.323 -0.746 -6.854 1.00 8.33 H new ATOM 596 N PRO A 38 -7.506 2.265 -6.368 1.00 8.71 N ATOM 597 CA PRO A 38 -6.477 2.835 -5.495 1.00 9.08 C ATOM 598 C PRO A 38 -6.909 4.073 -4.736 1.00 9.28 C ATOM 599 O PRO A 38 -6.311 4.365 -3.715 1.00 6.50 O ATOM 600 CB PRO A 38 -5.407 3.197 -6.497 1.00 10.31 C ATOM 601 CG PRO A 38 -5.386 2.082 -7.600 1.00 10.81 C ATOM 602 CD PRO A 38 -6.933 1.759 -7.684 1.00 12.00 C ATOM 0 HA PRO A 38 -6.187 2.141 -4.706 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.614 4.170 -6.942 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.435 3.270 -6.009 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -4.982 2.439 -8.547 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.794 1.215 -7.307 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.396 2.258 -8.535 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.108 0.690 -7.807 1.00 12.00 H new ATOM 610 N ASP A 39 -7.977 4.818 -5.113 1.00 11.20 N ATOM 611 CA ASP A 39 -8.512 5.988 -4.386 1.00 14.96 C ATOM 612 C ASP A 39 -9.401 5.612 -3.272 1.00 13.99 C ATOM 613 O ASP A 39 -9.698 6.470 -2.386 1.00 13.75 O ATOM 614 CB ASP A 39 -9.142 7.083 -5.408 1.00 24.16 C ATOM 615 CG ASP A 39 -10.276 6.523 -6.194 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.100 5.627 -7.068 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.461 6.992 -6.028 1.00 34.22 O ATOM 0 H ASP A 39 -8.505 4.611 -5.961 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.673 6.485 -3.899 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.485 7.950 -4.844 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -8.366 7.432 -6.089 1.00 24.16 H new ATOM 622 N GLN A 40 -9.801 4.359 -3.136 1.00 11.60 N ATOM 623 CA GLN A 40 -10.538 3.841 -2.026 1.00 10.76 C ATOM 624 C GLN A 40 -9.617 3.172 -1.029 1.00 8.01 C ATOM 625 O GLN A 40 -10.040 2.560 -0.106 1.00 8.96 O ATOM 626 CB GLN A 40 -11.613 2.938 -2.547 1.00 11.14 C ATOM 627 CG GLN A 40 -12.767 3.686 -3.294 1.00 14.85 C ATOM 628 CD GLN A 40 -13.947 2.717 -3.655 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.003 2.232 -4.777 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.931 2.497 -2.716 1.00 18.16 N ATOM 0 H GLN A 40 -9.603 3.649 -3.841 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.019 4.649 -1.475 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.166 2.212 -3.226 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.037 2.377 -1.714 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.140 4.497 -2.668 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.377 4.140 -4.205 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.854 2.916 -1.789 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.736 1.915 -2.948 1.00 18.16 H new ATOM 639 N GLN A 41 -8.354 3.249 -1.311 1.00 6.52 N ATOM 640 CA GLN A 41 -7.364 2.661 -0.521 1.00 3.87 C ATOM 641 C GLN A 41 -6.564 3.713 0.135 1.00 4.79 C ATOM 642 O GLN A 41 -6.260 4.801 -0.406 1.00 6.34 O ATOM 643 CB GLN A 41 -6.364 1.818 -1.337 1.00 4.20 C ATOM 644 CG GLN A 41 -6.977 0.682 -2.124 1.00 3.20 C ATOM 645 CD GLN A 41 -5.912 -0.154 -2.880 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.899 -0.641 -2.387 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.229 -0.514 -4.146 1.00 7.13 N ATOM 0 H GLN A 41 -7.991 3.742 -2.127 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.889 2.021 0.188 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.837 2.476 -2.028 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.618 1.407 -0.656 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.532 0.032 -1.447 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.694 1.084 -2.839 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.063 -0.131 -4.591 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.634 -1.168 -4.654 1.00 7.13 H new ATOM 656 N ARG A 42 -6.183 3.458 1.435 1.00 5.73 N ATOM 657 CA ARG A 42 -5.215 4.148 2.240 1.00 6.97 C ATOM 658 C ARG A 42 -4.305 3.124 2.687 1.00 7.15 C ATOM 659 O ARG A 42 -4.589 1.927 2.657 1.00 7.33 O ATOM 660 CB ARG A 42 -5.833 4.909 3.502 1.00 13.23 C ATOM 661 CG ARG A 42 -6.336 6.322 3.064 1.00 21.27 C ATOM 662 CD ARG A 42 -6.988 7.039 4.251 1.00 26.14 C ATOM 663 NE ARG A 42 -7.216 8.469 3.910 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.284 9.257 4.234 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.428 8.747 4.667 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.130 10.562 4.011 1.00 36.39 N ATOM 0 H ARG A 42 -6.607 2.689 1.953 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.744 4.933 1.648 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.657 4.331 3.920 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.081 5.006 4.286 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.502 6.913 2.686 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.053 6.225 2.249 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.934 6.560 4.502 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.348 6.962 5.130 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.481 8.919 3.364 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.531 7.737 4.767 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.206 9.364 4.900 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.255 10.913 3.622 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.887 11.210 4.230 1.00 36.39 H new ATOM 680 N LEU A 43 -3.050 3.557 3.090 1.00 4.65 N ATOM 681 CA LEU A 43 -1.853 2.739 3.431 1.00 3.51 C ATOM 682 C LEU A 43 -1.074 3.441 4.537 1.00 5.56 C ATOM 683 O LEU A 43 -0.795 4.640 4.537 1.00 4.19 O ATOM 684 CB LEU A 43 -0.911 2.578 2.211 1.00 3.74 C ATOM 685 CG LEU A 43 -1.185 1.321 1.257 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.210 1.475 -0.018 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.898 -0.025 1.920 1.00 6.41 C ATOM 0 H LEU A 43 -2.854 4.553 3.186 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.196 1.754 3.747 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.975 3.484 1.608 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.113 2.511 2.577 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.243 1.322 0.995 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.364 0.636 -0.697 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.433 2.407 -0.536 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.827 1.485 0.316 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.106 -0.830 1.215 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.149 -0.067 2.220 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.532 -0.140 2.799 1.00 6.41 H new ATOM 699 N ILE A 44 -0.859 2.690 5.649 1.00 4.58 N ATOM 700 CA ILE A 44 -0.352 3.199 6.930 1.00 5.55 C ATOM 701 C ILE A 44 0.875 2.401 7.225 1.00 5.46 C ATOM 702 O ILE A 44 0.869 1.178 7.339 1.00 6.04 O ATOM 703 CB ILE A 44 -1.436 3.180 8.060 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.610 4.103 7.562 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.872 3.696 9.359 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.692 4.348 8.561 1.00 13.90 C ATOM 0 H ILE A 44 -1.042 1.687 5.669 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.097 4.257 6.874 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.782 2.164 8.250 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.193 5.063 7.259 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.053 3.653 6.673 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.646 3.672 10.127 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.036 3.069 9.667 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.526 4.721 9.224 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.453 4.994 8.123 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.144 3.399 8.848 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.271 4.830 9.443 1.00 13.90 H new ATOM 718 N PHE A 45 1.999 3.095 7.228 1.00 6.75 N ATOM 719 CA PHE A 45 3.325 2.507 7.557 1.00 4.70 C ATOM 720 C PHE A 45 3.778 3.111 8.890 1.00 6.34 C ATOM 721 O PHE A 45 4.013 4.335 8.961 1.00 5.45 O ATOM 722 CB PHE A 45 4.315 2.904 6.394 1.00 5.51 C ATOM 723 CG PHE A 45 5.777 2.369 6.666 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.936 1.019 7.049 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.898 3.171 6.408 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.163 0.372 7.082 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.184 2.590 6.501 1.00 6.64 C ATOM 728 CZ PHE A 45 8.338 1.173 6.758 1.00 6.84 C ATOM 0 H PHE A 45 2.039 4.089 7.004 1.00 6.75 H new ATOM 0 HA PHE A 45 3.292 1.421 7.649 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.949 2.500 5.450 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.338 3.989 6.289 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.056 0.461 7.331 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.782 4.212 6.144 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.244 -0.675 7.335 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.060 3.209 6.379 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.314 0.714 6.710 1.00 6.84 H new ATOM 738 N ALA A 46 3.779 2.338 10.008 1.00 6.53 N ATOM 739 CA ALA A 46 4.130 2.744 11.378 1.00 7.15 C ATOM 740 C ALA A 46 3.543 4.072 11.804 1.00 9.00 C ATOM 741 O ALA A 46 4.269 4.989 12.187 1.00 11.15 O ATOM 742 CB ALA A 46 5.595 2.644 11.610 1.00 8.99 C ATOM 0 H ALA A 46 3.517 1.353 9.964 1.00 6.53 H new ATOM 0 HA ALA A 46 3.648 2.026 12.041 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.823 2.950 12.631 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.918 1.614 11.460 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.119 3.294 10.910 1.00 8.99 H new ATOM 748 N GLY A 47 2.189 4.240 11.666 1.00 9.35 N ATOM 749 CA GLY A 47 1.528 5.453 11.989 1.00 11.68 C ATOM 750 C GLY A 47 1.606 6.572 10.985 1.00 11.14 C ATOM 751 O GLY A 47 1.155 7.716 11.287 1.00 13.93 O ATOM 0 H GLY A 47 1.565 3.509 11.323 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.476 5.228 12.161 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.935 5.818 12.932 1.00 11.68 H new ATOM 755 N LYS A 48 2.201 6.309 9.762 1.00 10.47 N ATOM 756 CA LYS A 48 2.256 7.333 8.754 1.00 8.82 C ATOM 757 C LYS A 48 1.480 7.011 7.479 1.00 7.68 C ATOM 758 O LYS A 48 1.485 5.924 6.916 1.00 6.47 O ATOM 759 CB LYS A 48 3.732 7.725 8.396 1.00 9.74 C ATOM 760 CG LYS A 48 3.925 9.049 7.652 1.00 14.14 C ATOM 761 CD LYS A 48 5.397 9.346 7.108 1.00 16.32 C ATOM 762 CE LYS A 48 6.325 9.639 8.255 1.00 20.04 C ATOM 763 NZ LYS A 48 7.590 10.188 7.709 1.00 23.92 N ATOM 0 H LYS A 48 2.622 5.418 9.499 1.00 10.47 H new ATOM 0 HA LYS A 48 1.756 8.186 9.213 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.308 7.766 9.320 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.159 6.927 7.789 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.237 9.070 6.807 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.636 9.862 8.319 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.764 8.489 6.544 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.375 10.193 6.423 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.867 10.353 8.940 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.521 8.731 8.825 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.244 10.396 8.490 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.024 9.491 7.071 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.390 11.062 7.182 1.00 23.92 H new ATOM 777 N GLN A 49 0.651 7.999 6.995 1.00 8.89 N ATOM 778 CA GLN A 49 0.069 7.805 5.694 1.00 7.18 C ATOM 779 C GLN A 49 1.095 7.669 4.458 1.00 8.23 C ATOM 780 O GLN A 49 2.070 8.392 4.384 1.00 9.70 O ATOM 781 CB GLN A 49 -0.816 9.039 5.372 1.00 11.67 C ATOM 782 CG GLN A 49 -2.178 8.991 6.140 1.00 15.82 C ATOM 783 CD GLN A 49 -3.197 10.119 5.753 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.881 11.285 5.914 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.412 9.707 5.269 1.00 20.67 N ATOM 0 H GLN A 49 0.407 8.865 7.475 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.460 6.855 5.772 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.280 9.950 5.638 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.004 9.082 4.299 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.645 8.023 5.960 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.977 9.055 7.209 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.607 8.712 5.161 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.121 10.396 5.017 1.00 20.67 H new ATOM 794 N LEU A 50 0.800 6.824 3.461 1.00 6.51 N ATOM 795 CA LEU A 50 1.579 6.761 2.236 1.00 7.41 C ATOM 796 C LEU A 50 0.793 7.329 1.049 1.00 8.27 C ATOM 797 O LEU A 50 -0.317 6.976 0.775 1.00 8.34 O ATOM 798 CB LEU A 50 1.974 5.274 1.899 1.00 7.13 C ATOM 799 CG LEU A 50 2.618 4.454 2.985 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.986 3.093 2.441 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.907 5.172 3.518 1.00 9.11 C ATOM 0 H LEU A 50 0.017 6.171 3.489 1.00 6.51 H new ATOM 0 HA LEU A 50 2.477 7.357 2.399 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.072 4.753 1.576 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.653 5.293 1.047 1.00 7.13 H new ATOM 0 HG LEU A 50 1.911 4.341 3.807 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.452 2.500 3.228 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.087 2.586 2.089 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.685 3.209 1.612 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.362 4.568 4.303 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.617 5.300 2.701 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.639 6.148 3.921 1.00 9.11 H new ATOM 813 N GLU A 51 1.368 8.397 0.396 1.00 9.43 N ATOM 814 CA GLU A 51 0.704 9.094 -0.617 1.00 11.90 C ATOM 815 C GLU A 51 1.017 8.521 -1.996 1.00 11.49 C ATOM 816 O GLU A 51 2.134 8.064 -2.240 1.00 9.88 O ATOM 817 CB GLU A 51 1.040 10.620 -0.573 1.00 16.56 C ATOM 818 CG GLU A 51 0.635 11.360 0.710 1.00 26.06 C ATOM 819 CD GLU A 51 -0.812 11.369 1.039 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.668 11.733 0.161 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.176 11.024 2.180 1.00 32.13 O ATOM 0 H GLU A 51 2.303 8.749 0.602 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.364 8.972 -0.437 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.114 10.740 -0.715 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.551 11.104 -1.418 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.172 10.913 1.546 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.973 12.393 0.630 1.00 26.06 H new ATOM 828 N ASP A 52 0.056 8.462 -2.890 1.00 12.71 N ATOM 829 CA ASP A 52 0.074 7.698 -4.140 1.00 16.56 C ATOM 830 C ASP A 52 1.220 8.002 -5.122 1.00 15.83 C ATOM 831 O ASP A 52 1.868 7.052 -5.586 1.00 17.21 O ATOM 832 CB ASP A 52 -1.255 8.064 -4.759 1.00 21.05 C ATOM 833 CG ASP A 52 -2.452 7.753 -3.881 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.632 8.511 -2.898 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.202 6.763 -4.107 1.00 28.37 O ATOM 0 H ASP A 52 -0.817 8.974 -2.766 1.00 12.71 H new ATOM 0 HA ASP A 52 0.236 6.641 -3.926 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.255 9.129 -4.991 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.363 7.532 -5.704 1.00 21.05 H new ATOM 840 N GLY A 53 1.529 9.306 -5.368 1.00 15.00 N ATOM 841 CA GLY A 53 2.531 9.735 -6.405 1.00 11.77 C ATOM 842 C GLY A 53 3.974 9.584 -6.009 1.00 11.10 C ATOM 843 O GLY A 53 4.921 9.928 -6.753 1.00 11.25 O ATOM 0 H GLY A 53 1.102 10.084 -4.865 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.359 9.157 -7.313 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.347 10.780 -6.653 1.00 11.77 H new ATOM 847 N ARG A 54 4.204 9.192 -4.725 1.00 8.53 N ATOM 848 CA ARG A 54 5.491 8.962 -4.077 1.00 9.05 C ATOM 849 C ARG A 54 5.932 7.569 -4.349 1.00 8.96 C ATOM 850 O ARG A 54 5.175 6.621 -4.482 1.00 11.60 O ATOM 851 CB ARG A 54 5.304 9.140 -2.531 1.00 7.97 C ATOM 852 CG ARG A 54 4.697 10.485 -2.086 1.00 9.62 C ATOM 853 CD ARG A 54 5.353 11.707 -2.653 1.00 12.20 C ATOM 854 NE ARG A 54 4.490 12.838 -2.228 1.00 18.23 N ATOM 855 CZ ARG A 54 3.356 13.202 -2.830 1.00 22.08 C ATOM 856 NH1 ARG A 54 3.042 12.901 -4.101 1.00 25.50 N ATOM 857 NH2 ARG A 54 2.435 14.003 -2.204 1.00 23.38 N ATOM 0 H ARG A 54 3.428 9.021 -4.085 1.00 8.53 H new ATOM 0 HA ARG A 54 6.234 9.664 -4.456 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.667 8.335 -2.165 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.275 9.022 -2.049 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.643 10.498 -2.363 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.741 10.542 -0.998 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.369 11.821 -2.274 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.422 11.650 -3.739 1.00 12.20 H new ATOM 0 HE ARG A 54 4.786 13.377 -1.415 1.00 18.23 H new ATOM 0 HH11 ARG A 54 3.691 12.360 -4.672 1.00 25.50 H new ATOM 0 HH12 ARG A 54 2.155 13.214 -4.495 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.609 14.335 -1.255 1.00 23.38 H new ATOM 0 HH22 ARG A 54 1.576 14.266 -2.687 1.00 23.38 H new ATOM 871 N THR A 55 7.292 7.379 -4.404 1.00 9.05 N ATOM 872 CA THR A 55 7.953 6.041 -4.520 1.00 9.03 C ATOM 873 C THR A 55 8.073 5.410 -3.154 1.00 8.15 C ATOM 874 O THR A 55 8.137 5.998 -2.126 1.00 5.91 O ATOM 875 CB THR A 55 9.368 5.928 -5.199 1.00 11.15 C ATOM 876 OG1 THR A 55 10.437 6.501 -4.446 1.00 11.95 O ATOM 877 CG2 THR A 55 9.286 6.463 -6.649 1.00 11.71 C ATOM 0 H THR A 55 7.956 8.152 -4.369 1.00 9.05 H new ATOM 0 HA THR A 55 7.279 5.534 -5.211 1.00 9.03 H new ATOM 0 HB THR A 55 9.631 4.871 -5.228 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.279 6.388 -4.935 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.265 6.386 -7.121 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.563 5.874 -7.214 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.972 7.507 -6.635 1.00 11.71 H new ATOM 885 N LEU A 56 8.284 4.042 -3.092 1.00 6.91 N ATOM 886 CA LEU A 56 8.510 3.246 -1.843 1.00 8.29 C ATOM 887 C LEU A 56 9.877 3.700 -1.208 1.00 8.05 C ATOM 888 O LEU A 56 10.022 3.964 -0.021 1.00 10.17 O ATOM 889 CB LEU A 56 8.604 1.749 -2.276 1.00 6.60 C ATOM 890 CG LEU A 56 7.213 1.126 -2.424 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.314 -0.150 -3.219 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.434 0.928 -1.102 1.00 8.64 C ATOM 0 H LEU A 56 8.300 3.462 -3.931 1.00 6.91 H new ATOM 0 HA LEU A 56 7.711 3.389 -1.116 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.141 1.674 -3.222 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.179 1.190 -1.538 1.00 6.60 H new ATOM 0 HG LEU A 56 6.609 1.853 -2.966 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.324 -0.593 -3.324 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.720 0.068 -4.207 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.971 -0.849 -2.702 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.463 0.481 -1.315 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.999 0.270 -0.442 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.291 1.893 -0.616 1.00 8.64 H new ATOM 904 N SER A 57 10.929 3.956 -2.033 1.00 8.92 N ATOM 905 CA SER A 57 12.213 4.515 -1.611 1.00 9.00 C ATOM 906 C SER A 57 12.011 5.847 -0.939 1.00 9.44 C ATOM 907 O SER A 57 12.645 6.098 0.118 1.00 10.91 O ATOM 908 CB SER A 57 13.207 4.684 -2.760 1.00 10.32 C ATOM 909 OG SER A 57 14.528 4.875 -2.281 1.00 13.59 O ATOM 0 H SER A 57 10.891 3.769 -3.035 1.00 8.92 H new ATOM 0 HA SER A 57 12.638 3.794 -0.913 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.175 3.804 -3.402 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.914 5.536 -3.373 1.00 10.32 H new ATOM 0 HG SER A 57 15.139 4.978 -3.040 1.00 13.59 H new ATOM 915 N ASP A 58 11.103 6.691 -1.438 1.00 9.11 N ATOM 916 CA ASP A 58 10.857 8.041 -0.922 1.00 7.91 C ATOM 917 C ASP A 58 10.313 7.961 0.522 1.00 9.12 C ATOM 918 O ASP A 58 10.497 8.897 1.316 1.00 8.61 O ATOM 919 CB ASP A 58 9.789 8.650 -1.855 1.00 8.41 C ATOM 920 CG ASP A 58 9.759 10.195 -1.647 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.846 10.742 -1.966 1.00 11.70 O ATOM 922 OD2 ASP A 58 8.777 10.840 -1.310 1.00 10.05 O ATOM 0 H ASP A 58 10.506 6.450 -2.229 1.00 9.11 H new ATOM 0 HA ASP A 58 11.767 8.641 -0.899 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.017 8.414 -2.894 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.811 8.221 -1.638 1.00 8.41 H new ATOM 927 N TYR A 59 9.749 6.830 0.878 1.00 7.97 N ATOM 928 CA TYR A 59 9.216 6.526 2.204 1.00 8.45 C ATOM 929 C TYR A 59 10.260 5.715 3.022 1.00 10.98 C ATOM 930 O TYR A 59 10.118 5.327 4.177 1.00 12.95 O ATOM 931 CB TYR A 59 7.928 5.747 2.197 1.00 7.94 C ATOM 932 CG TYR A 59 6.822 6.735 2.020 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.462 7.583 3.119 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.110 6.904 0.825 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.454 8.529 3.005 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.029 7.851 0.739 1.00 6.52 C ATOM 937 CZ TYR A 59 4.756 8.692 1.761 1.00 6.76 C ATOM 938 OH TYR A 59 3.685 9.579 1.661 1.00 7.63 O ATOM 0 H TYR A 59 9.640 6.053 0.226 1.00 7.97 H new ATOM 0 HA TYR A 59 9.005 7.496 2.654 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.924 5.015 1.389 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.806 5.194 3.129 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.988 7.483 4.057 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.375 6.317 -0.042 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.194 9.144 3.854 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.427 7.890 -0.157 1.00 6.52 H new ATOM 0 HH TYR A 59 3.887 10.261 0.987 1.00 7.63 H new ATOM 948 N ASN A 60 11.383 5.376 2.451 1.00 12.38 N ATOM 949 CA ASN A 60 12.486 4.565 3.045 1.00 13.94 C ATOM 950 C ASN A 60 12.047 3.143 3.411 1.00 14.16 C ATOM 951 O ASN A 60 12.532 2.500 4.329 1.00 14.26 O ATOM 952 CB ASN A 60 13.175 5.311 4.178 1.00 19.23 C ATOM 953 CG ASN A 60 13.976 6.501 3.688 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.359 7.502 3.269 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.308 6.305 3.704 1.00 24.09 N ATOM 0 H ASN A 60 11.596 5.662 1.495 1.00 12.38 H new ATOM 0 HA ASN A 60 13.242 4.425 2.272 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.426 5.651 4.893 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.836 4.627 4.710 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.934 7.026 3.344 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.691 5.436 4.076 1.00 24.09 H new ATOM 962 N ILE A 61 11.084 2.578 2.649 1.00 11.08 N ATOM 963 CA ILE A 61 10.522 1.238 2.755 1.00 11.78 C ATOM 964 C ILE A 61 11.524 0.189 2.276 1.00 13.74 C ATOM 965 O ILE A 61 12.343 0.467 1.359 1.00 14.60 O ATOM 966 CB ILE A 61 9.170 1.200 2.025 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.185 2.046 2.880 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.697 -0.234 1.788 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.782 2.262 2.277 1.00 11.42 C ATOM 0 H ILE A 61 10.654 3.100 1.886 1.00 11.08 H new ATOM 0 HA ILE A 61 10.326 0.986 3.797 1.00 11.78 H new ATOM 0 HB ILE A 61 9.243 1.625 1.024 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.071 1.564 3.851 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.636 3.022 3.059 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.738 -0.220 1.270 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.430 -0.763 1.180 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.585 -0.743 2.745 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.182 2.865 2.959 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.872 2.777 1.321 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.299 1.297 2.125 1.00 11.42 H new ATOM 981 N GLN A 62 11.590 -0.948 2.957 1.00 13.97 N ATOM 982 CA GLN A 62 12.659 -2.000 2.957 1.00 15.52 C ATOM 983 C GLN A 62 12.076 -3.351 2.722 1.00 13.94 C ATOM 984 O GLN A 62 10.850 -3.532 2.788 1.00 12.15 O ATOM 985 CB GLN A 62 13.488 -1.998 4.299 1.00 19.53 C ATOM 986 CG GLN A 62 14.229 -0.701 4.640 1.00 26.38 C ATOM 987 CD GLN A 62 14.894 -0.680 6.031 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.103 -0.590 6.181 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.032 -0.778 7.068 1.00 32.71 N ATOM 0 H GLN A 62 10.834 -1.204 3.592 1.00 13.97 H new ATOM 0 HA GLN A 62 13.340 -1.760 2.141 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.810 -2.230 5.120 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.218 -2.806 4.251 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.995 -0.528 3.884 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.526 0.129 4.577 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.030 -0.851 6.893 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.384 -0.779 8.025 1.00 32.71 H new ATOM 998 N LYS A 63 12.942 -4.397 2.461 1.00 11.73 N ATOM 999 CA LYS A 63 12.546 -5.799 2.177 1.00 11.97 C ATOM 1000 C LYS A 63 11.845 -6.396 3.367 1.00 10.41 C ATOM 1001 O LYS A 63 12.362 -6.279 4.486 1.00 9.59 O ATOM 1002 CB LYS A 63 13.577 -6.636 1.562 1.00 13.73 C ATOM 1003 CG LYS A 63 14.590 -7.198 2.505 1.00 16.98 C ATOM 1004 CD LYS A 63 15.831 -7.888 1.959 1.00 20.19 C ATOM 1005 CE LYS A 63 16.690 -8.479 3.097 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.117 -8.717 2.801 1.00 25.97 N ATOM 0 H LYS A 63 13.954 -4.267 2.446 1.00 11.73 H new ATOM 0 HA LYS A 63 11.818 -5.764 1.367 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.090 -7.462 1.044 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.096 -6.047 0.806 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.927 -6.382 3.145 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.075 -7.914 3.146 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.536 -8.682 1.273 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.424 -7.175 1.386 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.628 -7.807 3.953 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.244 -9.426 3.402 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.584 -9.114 3.641 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.200 -9.387 2.010 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.573 -7.818 2.543 1.00 25.97 H new ATOM 1020 N GLU A 64 10.756 -7.040 3.113 1.00 10.04 N ATOM 1021 CA GLU A 64 9.848 -7.620 4.089 1.00 10.94 C ATOM 1022 C GLU A 64 9.196 -6.657 5.084 1.00 9.74 C ATOM 1023 O GLU A 64 8.892 -7.046 6.239 1.00 9.42 O ATOM 1024 CB GLU A 64 10.510 -8.834 4.785 1.00 18.31 C ATOM 1025 CG GLU A 64 10.843 -9.890 3.720 1.00 24.16 C ATOM 1026 CD GLU A 64 10.981 -11.260 4.388 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.397 -11.371 5.593 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.520 -12.286 3.735 1.00 31.72 O ATOM 0 H GLU A 64 10.440 -7.195 2.156 1.00 10.04 H new ATOM 0 HA GLU A 64 8.992 -7.954 3.503 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.416 -8.524 5.306 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.839 -9.252 5.535 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.059 -9.919 2.964 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.769 -9.627 3.209 1.00 24.16 H new ATOM 1035 N SER A 65 8.917 -5.388 4.673 1.00 6.85 N ATOM 1036 CA SER A 65 8.131 -4.351 5.392 1.00 6.90 C ATOM 1037 C SER A 65 6.679 -4.612 5.481 1.00 4.72 C ATOM 1038 O SER A 65 6.065 -5.094 4.550 1.00 3.91 O ATOM 1039 CB SER A 65 8.297 -2.919 4.888 1.00 7.28 C ATOM 1040 OG SER A 65 9.633 -2.499 4.925 1.00 10.56 O ATOM 0 H SER A 65 9.257 -5.043 3.775 1.00 6.85 H new ATOM 0 HA SER A 65 8.584 -4.434 6.380 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.924 -2.849 3.866 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.690 -2.248 5.496 1.00 7.28 H new ATOM 0 HG SER A 65 10.141 -2.963 4.228 1.00 10.56 H new ATOM 1046 N THR A 66 6.050 -4.186 6.594 1.00 4.48 N ATOM 1047 CA THR A 66 4.705 -4.429 6.893 1.00 3.80 C ATOM 1048 C THR A 66 3.952 -3.142 6.733 1.00 4.60 C ATOM 1049 O THR A 66 4.162 -2.145 7.395 1.00 5.33 O ATOM 1050 CB THR A 66 4.378 -4.937 8.295 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.134 -6.116 8.613 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.866 -5.250 8.476 1.00 3.40 C ATOM 0 H THR A 66 6.525 -3.642 7.314 1.00 4.48 H new ATOM 0 HA THR A 66 4.424 -5.229 6.208 1.00 3.80 H new ATOM 0 HB THR A 66 4.650 -4.130 8.975 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.905 -6.417 9.517 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.687 -5.608 9.490 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.284 -4.345 8.303 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.565 -6.017 7.762 1.00 3.40 H new ATOM 1060 N LEU A 67 2.981 -3.206 5.781 1.00 4.17 N ATOM 1061 CA LEU A 67 2.137 -2.044 5.460 1.00 3.85 C ATOM 1062 C LEU A 67 0.647 -2.339 5.544 1.00 3.80 C ATOM 1063 O LEU A 67 0.196 -3.381 5.141 1.00 5.54 O ATOM 1064 CB LEU A 67 2.342 -1.655 3.914 1.00 7.18 C ATOM 1065 CG LEU A 67 3.581 -0.806 3.625 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.881 -1.484 3.897 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.473 -0.387 2.154 1.00 11.66 C ATOM 0 H LEU A 67 2.773 -4.042 5.235 1.00 4.17 H new ATOM 0 HA LEU A 67 2.426 -1.274 6.175 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.403 -2.572 3.328 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.460 -1.115 3.570 1.00 7.18 H new ATOM 0 HG LEU A 67 3.591 0.046 4.305 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.701 -0.805 3.663 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.932 -1.765 4.949 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.962 -2.378 3.278 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.334 0.225 1.886 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.449 -1.276 1.523 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.559 0.188 2.006 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.100 -1.345 6.128 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.514 -1.664 6.556 1.00 4.17 C ATOM 1081 C HIS A 68 -2.461 -1.151 5.586 1.00 5.32 C ATOM 1082 O HIS A 68 -2.570 0.044 5.360 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.769 -1.122 8.011 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.877 -1.703 8.962 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.341 -1.196 9.342 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.873 -2.969 9.561 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.007 -2.155 10.115 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.319 -3.242 10.255 1.00 16.30 N ATOM 0 H HIS A 68 0.215 -0.391 6.304 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.657 -2.744 6.589 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.653 -0.038 8.020 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.798 -1.334 8.302 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.701 -0.273 9.101 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.698 -3.662 9.497 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.986 -2.004 10.546 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.254 -1.996 4.956 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.198 -1.468 3.936 1.00 3.97 C ATOM 1098 C LEU A 69 -5.520 -1.012 4.588 1.00 5.07 C ATOM 1099 O LEU A 69 -6.255 -1.854 5.081 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.398 -2.593 2.945 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.522 -2.402 1.863 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.459 -1.149 0.943 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.589 -3.594 0.927 1.00 9.96 C ATOM 0 H LEU A 69 -3.282 -3.005 5.106 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.807 -0.582 3.436 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.454 -2.759 2.426 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.618 -3.502 3.505 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.396 -2.277 2.502 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.302 -1.162 0.252 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.503 -0.247 1.553 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.527 -1.159 0.378 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.375 -3.434 0.189 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.632 -3.711 0.418 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.808 -4.495 1.500 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.819 0.254 4.595 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.057 0.771 5.239 1.00 6.26 C ATOM 1117 C VAL A 70 -8.042 1.251 4.123 1.00 9.22 C ATOM 1118 O VAL A 70 -7.637 2.000 3.204 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.810 1.929 6.238 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.173 2.401 6.887 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.902 1.378 7.340 1.00 8.54 C ATOM 0 H VAL A 70 -5.238 0.975 4.167 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.477 -0.050 5.821 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.360 2.780 5.727 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.981 3.215 7.586 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.848 2.747 6.104 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.631 1.567 7.419 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.700 2.161 8.070 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.396 0.541 7.833 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.963 1.039 6.902 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.314 0.844 4.149 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.369 1.287 3.274 1.00 16.06 C ATOM 1133 C LEU A 71 -10.767 2.703 3.440 1.00 18.09 C ATOM 1134 O LEU A 71 -10.716 3.281 4.506 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.638 0.411 3.237 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.442 -1.120 3.052 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.853 -1.778 2.840 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.573 -1.457 1.796 1.00 19.57 C ATOM 0 H LEU A 71 -9.640 0.155 4.827 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.872 1.175 2.311 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.186 0.571 4.166 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.272 0.770 2.427 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.935 -1.500 3.939 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.737 -2.854 2.708 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.479 -1.585 3.711 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.323 -1.353 1.954 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.464 -2.538 1.708 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.060 -1.068 0.902 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.589 -1.000 1.901 1.00 19.57 H new