USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 55 THR OG1 : rot 124:sc= 0.994 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.855 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.75 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.848 K(o=1.6,f=0.056) USER MOD Set 3.1: A 7 THR OG1 : rot 111:sc= 0.529 USER MOD Set 3.2: A 9 THR OG1 : rot -99:sc= 0.455 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.32 (180deg=1.21) 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+ -110:sc= 1.25 (180deg=-1.04) USER MOD Single : A 12 THR OG1 : rot 38:sc= 0.00742 USER MOD Single : A 14 THR OG1 : rot -97:sc= 0.364 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.32 (180deg=1.23) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc= -0.742 K(o=-0.74,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 41 GLN : amide:sc= 1.05 K(o=1,f=-2.1) 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=-0.0012) USER MOD Single : A 59 TYR OH : rot 154:sc= 0.469 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= 1.27 (180deg=0.207) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.226 -7.148 -5.521 1.00 9.67 N ATOM 2 CA MET A 1 11.068 -7.049 -4.050 1.00 10.38 C ATOM 3 C MET A 1 9.649 -7.505 -3.575 1.00 9.62 C ATOM 4 O MET A 1 8.634 -6.999 -4.068 1.00 9.62 O ATOM 5 CB MET A 1 11.406 -5.616 -3.546 1.00 13.77 C ATOM 6 CG MET A 1 11.390 -5.601 -1.997 1.00 16.29 C ATOM 7 SD MET A 1 12.183 -4.034 -1.429 1.00 17.17 S ATOM 8 CE MET A 1 10.631 -3.031 -1.480 1.00 16.11 C ATOM 0 H1 MET A 1 12.238 -7.153 -5.762 1.00 9.67 H new ATOM 0 H2 MET A 1 10.785 -8.027 -5.859 1.00 9.67 H new ATOM 0 H3 MET A 1 10.766 -6.333 -5.975 1.00 9.67 H new ATOM 0 HA MET A 1 11.784 -7.739 -3.603 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.385 -5.310 -3.914 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.682 -4.901 -3.936 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.367 -5.666 -1.627 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.927 -6.464 -1.603 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.848 -2.009 -1.170 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.234 -3.026 -2.495 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.894 -3.466 -0.805 1.00 16.11 H new ATOM 20 N GLN A 2 9.573 -8.465 -2.596 1.00 9.27 N ATOM 21 CA GLN A 2 8.367 -8.894 -2.004 1.00 9.07 C ATOM 22 C GLN A 2 7.988 -8.228 -0.673 1.00 8.72 C ATOM 23 O GLN A 2 8.858 -8.243 0.228 1.00 8.22 O ATOM 24 CB GLN A 2 8.431 -10.370 -1.717 1.00 14.46 C ATOM 25 CG GLN A 2 7.188 -11.029 -1.145 1.00 17.01 C ATOM 26 CD GLN A 2 7.416 -12.520 -0.771 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.469 -12.838 0.403 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.449 -13.417 -1.772 1.00 19.49 N ATOM 0 H GLN A 2 10.396 -8.940 -2.225 1.00 9.27 H new ATOM 0 HA GLN A 2 7.615 -8.613 -2.741 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.686 -10.882 -2.645 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.253 -10.542 -1.022 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.867 -10.482 -0.259 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.379 -10.961 -1.872 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.402 -13.102 -2.741 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.521 -14.413 -1.562 1.00 19.49 H new ATOM 37 N ILE A 3 6.746 -7.648 -0.541 1.00 5.87 N ATOM 38 CA ILE A 3 6.204 -7.081 0.668 1.00 5.07 C ATOM 39 C ILE A 3 4.944 -7.806 1.060 1.00 4.01 C ATOM 40 O ILE A 3 4.320 -8.560 0.334 1.00 4.61 O ATOM 41 CB ILE A 3 5.980 -5.589 0.668 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.179 -5.267 -0.617 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.364 -4.885 0.756 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.504 -3.961 -0.653 1.00 10.83 C ATOM 0 H ILE A 3 6.099 -7.579 -1.327 1.00 5.87 H new ATOM 0 HA ILE A 3 6.987 -7.227 1.412 1.00 5.07 H new ATOM 0 HB ILE A 3 5.406 -5.227 1.521 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.858 -5.325 -1.467 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.428 -6.045 -0.756 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.223 -3.804 0.757 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.868 -5.186 1.674 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.973 -5.170 -0.102 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.977 -3.850 -1.601 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.791 -3.897 0.169 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.243 -3.166 -0.554 1.00 10.83 H new ATOM 56 N PHE A 4 4.475 -7.552 2.318 1.00 4.55 N ATOM 57 CA PHE A 4 3.168 -7.933 2.860 1.00 4.68 C ATOM 58 C PHE A 4 2.290 -6.714 2.986 1.00 5.30 C ATOM 59 O PHE A 4 2.734 -5.578 3.205 1.00 5.58 O ATOM 60 CB PHE A 4 3.205 -8.747 4.176 1.00 4.83 C ATOM 61 CG PHE A 4 4.229 -9.861 4.140 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.163 -10.765 3.028 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.298 -10.001 5.057 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.204 -11.618 2.810 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.298 -10.881 4.872 1.00 10.61 C ATOM 66 CZ PHE A 4 6.254 -11.740 3.710 1.00 8.90 C ATOM 0 H PHE A 4 5.040 -7.050 3.003 1.00 4.55 H new ATOM 0 HA PHE A 4 2.741 -8.628 2.137 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.430 -8.078 5.007 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.219 -9.171 4.365 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.303 -10.770 2.375 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.311 -9.377 5.939 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.212 -12.216 1.911 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.115 -10.945 5.575 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.032 -12.471 3.543 1.00 8.90 H new ATOM 76 N VAL A 5 0.983 -6.821 2.696 1.00 4.44 N ATOM 77 CA VAL A 5 -0.006 -5.788 3.098 1.00 3.87 C ATOM 78 C VAL A 5 -1.074 -6.434 4.002 1.00 4.93 C ATOM 79 O VAL A 5 -1.469 -7.579 3.711 1.00 6.84 O ATOM 80 CB VAL A 5 -0.534 -5.104 1.849 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.563 -3.986 2.108 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.656 -4.611 0.984 1.00 9.13 C ATOM 0 H VAL A 5 0.580 -7.607 2.186 1.00 4.44 H new ATOM 0 HA VAL A 5 0.440 -4.997 3.701 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.101 -5.856 1.300 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.882 -3.557 1.158 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.427 -4.400 2.627 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.109 -3.209 2.722 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.276 -4.120 0.088 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.255 -3.904 1.558 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.274 -5.462 0.697 1.00 9.13 H new ATOM 92 N LYS A 6 -1.425 -5.713 5.163 1.00 6.04 N ATOM 93 CA LYS A 6 -2.242 -6.313 6.232 1.00 6.12 C ATOM 94 C LYS A 6 -3.437 -5.487 6.458 1.00 6.57 C ATOM 95 O LYS A 6 -3.404 -4.289 6.478 1.00 5.76 O ATOM 96 CB LYS A 6 -1.364 -6.495 7.467 1.00 7.45 C ATOM 97 CG LYS A 6 -2.088 -7.148 8.623 1.00 11.12 C ATOM 98 CD LYS A 6 -1.114 -7.442 9.804 1.00 14.54 C ATOM 99 CE LYS A 6 -1.729 -7.912 11.075 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.722 -8.097 12.133 1.00 20.55 N ATOM 0 H LYS A 6 -1.144 -4.748 5.340 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.611 -7.301 5.956 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.497 -7.100 7.202 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.989 -5.522 7.785 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.893 -6.498 8.965 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.549 -8.077 8.288 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.397 -8.194 9.475 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.550 -6.533 10.014 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.476 -7.191 11.406 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.250 -8.853 10.901 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.188 -8.425 13.003 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.023 -8.804 11.827 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.242 -7.193 12.317 1.00 20.55 H new ATOM 114 N THR A 7 -4.592 -6.071 6.545 1.00 7.41 N ATOM 115 CA THR A 7 -5.788 -5.404 6.843 1.00 7.48 C ATOM 116 C THR A 7 -6.145 -5.456 8.284 1.00 8.75 C ATOM 117 O THR A 7 -5.665 -6.270 9.094 1.00 8.58 O ATOM 118 CB THR A 7 -7.024 -5.940 6.057 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.435 -7.151 6.550 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.610 -6.082 4.542 1.00 9.17 C ATOM 0 H THR A 7 -4.715 -7.073 6.401 1.00 7.41 H new ATOM 0 HA THR A 7 -5.573 -4.380 6.539 1.00 7.48 H new ATOM 0 HB THR A 7 -7.857 -5.245 6.164 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.301 -7.045 6.997 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.457 -6.456 3.967 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.309 -5.109 4.154 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.777 -6.780 4.456 1.00 9.17 H new ATOM 128 N LEU A 8 -7.061 -4.560 8.783 1.00 9.84 N ATOM 129 CA LEU A 8 -7.484 -4.507 10.123 1.00 14.15 C ATOM 130 C LEU A 8 -8.103 -5.803 10.735 1.00 17.37 C ATOM 131 O LEU A 8 -7.983 -6.123 11.930 1.00 17.01 O ATOM 132 CB LEU A 8 -8.602 -3.476 10.264 1.00 16.63 C ATOM 133 CG LEU A 8 -8.163 -2.011 9.962 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.419 -1.092 9.933 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.240 -1.445 11.015 1.00 18.59 C ATOM 0 H LEU A 8 -7.507 -3.854 8.198 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.554 -4.290 10.649 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.416 -3.745 9.591 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.998 -3.523 11.278 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.640 -2.039 9.006 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.115 -0.067 9.722 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.103 -1.435 9.156 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.920 -1.130 10.900 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.969 -0.423 10.750 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.745 -1.447 11.981 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.339 -2.055 11.075 1.00 18.59 H new ATOM 147 N THR A 9 -8.699 -6.641 9.822 1.00 18.33 N ATOM 148 CA THR A 9 -9.324 -7.935 10.050 1.00 19.24 C ATOM 149 C THR A 9 -8.315 -9.055 9.925 1.00 19.48 C ATOM 150 O THR A 9 -8.669 -10.233 10.016 1.00 23.14 O ATOM 151 CB THR A 9 -10.432 -8.172 9.043 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.862 -8.009 7.719 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.450 -7.092 9.181 1.00 19.70 C ATOM 0 H THR A 9 -8.743 -6.381 8.837 1.00 18.33 H new ATOM 0 HA THR A 9 -9.733 -7.927 11.060 1.00 19.24 H new ATOM 0 HB THR A 9 -10.870 -9.158 9.198 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.072 -7.113 7.381 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.252 -7.254 8.460 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.861 -7.106 10.190 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.983 -6.125 8.993 1.00 19.70 H new ATOM 161 N GLY A 10 -7.015 -8.697 9.748 1.00 19.43 N ATOM 162 CA GLY A 10 -5.852 -9.610 9.928 1.00 18.74 C ATOM 163 C GLY A 10 -5.548 -10.539 8.719 1.00 17.62 C ATOM 164 O GLY A 10 -4.819 -11.498 8.844 1.00 19.74 O ATOM 0 H GLY A 10 -6.741 -7.754 9.473 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.967 -9.009 10.136 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.029 -10.230 10.807 1.00 18.74 H new ATOM 168 N LYS A 11 -6.022 -10.108 7.531 1.00 13.56 N ATOM 169 CA LYS A 11 -5.674 -10.700 6.249 1.00 11.91 C ATOM 170 C LYS A 11 -4.431 -10.105 5.722 1.00 10.18 C ATOM 171 O LYS A 11 -4.372 -8.894 5.607 1.00 9.10 O ATOM 172 CB LYS A 11 -6.697 -10.589 5.106 1.00 13.43 C ATOM 173 CG LYS A 11 -6.385 -11.529 3.871 1.00 16.69 C ATOM 174 CD LYS A 11 -7.484 -11.478 2.865 1.00 17.92 C ATOM 175 CE LYS A 11 -7.229 -12.231 1.573 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.328 -11.948 0.626 1.00 21.93 N ATOM 0 H LYS A 11 -6.669 -9.323 7.449 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.600 -11.755 6.511 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.687 -10.831 5.493 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.733 -9.555 4.763 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.448 -11.224 3.406 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.251 -12.554 4.216 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.390 -11.876 3.323 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.681 -10.434 2.622 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.274 -11.928 1.143 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.166 -13.302 1.767 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.909 -12.802 0.504 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.918 -11.178 0.999 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.931 -11.665 -0.293 1.00 21.93 H new ATOM 190 N THR A 12 -3.397 -10.958 5.464 1.00 9.63 N ATOM 191 CA THR A 12 -2.100 -10.634 4.975 1.00 9.85 C ATOM 192 C THR A 12 -2.031 -11.087 3.576 1.00 11.66 C ATOM 193 O THR A 12 -2.235 -12.253 3.298 1.00 12.33 O ATOM 194 CB THR A 12 -0.898 -11.223 5.758 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.084 -12.584 6.126 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.647 -10.305 6.951 1.00 9.63 C ATOM 0 H THR A 12 -3.498 -11.961 5.618 1.00 9.63 H new ATOM 0 HA THR A 12 -1.995 -9.556 5.095 1.00 9.85 H new ATOM 0 HB THR A 12 -0.015 -11.252 5.120 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.542 -13.059 5.401 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.194 -10.684 7.531 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.419 -9.300 6.595 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.537 -10.274 7.580 1.00 9.63 H new ATOM 204 N ILE A 13 -1.648 -10.155 2.705 1.00 10.42 N ATOM 205 CA ILE A 13 -1.589 -10.447 1.278 1.00 11.84 C ATOM 206 C ILE A 13 -0.211 -10.045 0.750 1.00 10.55 C ATOM 207 O ILE A 13 0.394 -9.069 1.265 1.00 11.92 O ATOM 208 CB ILE A 13 -2.621 -9.704 0.431 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.758 -8.244 0.682 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.919 -10.467 0.722 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.941 -7.522 0.029 1.00 16.46 C ATOM 0 H ILE A 13 -1.378 -9.205 2.959 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.797 -11.513 1.189 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.319 -9.701 -0.616 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.825 -8.093 1.759 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.841 -7.758 0.348 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.739 -10.017 0.162 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.803 -11.509 0.423 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.139 -10.418 1.788 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.916 -6.466 0.297 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.876 -7.623 -1.054 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.874 -7.963 0.379 1.00 16.46 H new ATOM 223 N THR A 14 0.352 -10.817 -0.195 1.00 9.39 N ATOM 224 CA THR A 14 1.689 -10.751 -0.513 1.00 9.63 C ATOM 225 C THR A 14 1.914 -10.177 -1.880 1.00 11.20 C ATOM 226 O THR A 14 1.170 -10.559 -2.767 1.00 11.63 O ATOM 227 CB THR A 14 2.440 -12.082 -0.386 1.00 10.38 C ATOM 228 OG1 THR A 14 2.395 -12.572 0.919 1.00 16.30 O ATOM 229 CG2 THR A 14 3.938 -11.974 -0.629 1.00 11.66 C ATOM 0 H THR A 14 -0.168 -11.503 -0.741 1.00 9.39 H new ATOM 0 HA THR A 14 2.106 -10.081 0.238 1.00 9.63 H new ATOM 0 HB THR A 14 1.945 -12.710 -1.127 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.217 -12.323 1.390 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.396 -12.957 -0.521 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.117 -11.599 -1.637 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.376 -11.288 0.096 1.00 11.66 H new ATOM 237 N LEU A 15 2.897 -9.261 -2.056 1.00 8.29 N ATOM 238 CA LEU A 15 3.118 -8.500 -3.246 1.00 9.03 C ATOM 239 C LEU A 15 4.484 -8.204 -3.700 1.00 8.59 C ATOM 240 O LEU A 15 5.380 -7.924 -2.918 1.00 7.79 O ATOM 241 CB LEU A 15 2.369 -7.117 -3.131 1.00 11.08 C ATOM 242 CG LEU A 15 0.806 -7.122 -2.998 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.174 -5.812 -2.657 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.106 -7.727 -4.199 1.00 15.27 C ATOM 0 H LEU A 15 3.571 -9.045 -1.322 1.00 8.29 H new ATOM 0 HA LEU A 15 2.739 -9.190 -4.000 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.774 -6.592 -2.266 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.625 -6.527 -4.011 1.00 11.08 H new ATOM 0 HG LEU A 15 0.657 -7.765 -2.131 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.907 -5.936 -2.591 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.558 -5.461 -1.699 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.409 -5.082 -3.431 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.972 -7.700 -4.043 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.358 -7.156 -5.093 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.428 -8.760 -4.326 1.00 15.27 H new ATOM 256 N GLU A 16 4.676 -8.328 -5.013 1.00 11.04 N ATOM 257 CA GLU A 16 5.844 -8.129 -5.829 1.00 11.50 C ATOM 258 C GLU A 16 5.955 -6.788 -6.418 1.00 10.13 C ATOM 259 O GLU A 16 5.117 -6.327 -7.181 1.00 9.83 O ATOM 260 CB GLU A 16 5.771 -9.194 -6.947 1.00 17.22 C ATOM 261 CG GLU A 16 7.030 -9.305 -7.883 1.00 23.33 C ATOM 262 CD GLU A 16 8.300 -9.394 -7.102 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.544 -10.337 -6.262 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.121 -8.478 -7.314 1.00 28.86 O ATOM 0 H GLU A 16 3.892 -8.612 -5.600 1.00 11.04 H new ATOM 0 HA GLU A 16 6.729 -8.226 -5.200 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.602 -10.166 -6.484 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.901 -8.981 -7.567 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.933 -10.185 -8.519 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.070 -8.438 -8.542 1.00 23.33 H new ATOM 271 N VAL A 17 7.029 -6.088 -5.991 1.00 8.99 N ATOM 272 CA VAL A 17 7.213 -4.644 -6.282 1.00 8.85 C ATOM 273 C VAL A 17 8.643 -4.459 -6.543 1.00 8.04 C ATOM 274 O VAL A 17 9.393 -5.424 -6.646 1.00 8.99 O ATOM 275 CB VAL A 17 6.648 -3.681 -5.133 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.144 -3.709 -5.140 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.210 -4.076 -3.727 1.00 10.54 C ATOM 0 H VAL A 17 7.785 -6.498 -5.442 1.00 8.99 H new ATOM 0 HA VAL A 17 6.623 -4.354 -7.151 1.00 8.85 H new ATOM 0 HB VAL A 17 6.984 -2.665 -5.339 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.764 -3.053 -4.357 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.778 -3.368 -6.108 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.798 -4.727 -4.960 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.806 -3.402 -2.971 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.918 -5.100 -3.493 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.297 -4.001 -3.736 1.00 10.54 H new ATOM 287 N GLU A 18 9.100 -3.218 -6.616 1.00 7.29 N ATOM 288 CA GLU A 18 10.559 -2.944 -6.563 1.00 7.08 C ATOM 289 C GLU A 18 10.618 -1.692 -5.637 1.00 6.45 C ATOM 290 O GLU A 18 9.557 -1.025 -5.535 1.00 5.28 O ATOM 291 CB GLU A 18 11.112 -2.688 -7.993 1.00 10.28 C ATOM 292 CG GLU A 18 10.413 -1.507 -8.744 1.00 12.65 C ATOM 293 CD GLU A 18 11.152 -1.279 -10.044 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.029 -2.097 -10.992 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.945 -0.340 -10.111 1.00 14.33 O ATOM 0 H GLU A 18 8.511 -2.391 -6.710 1.00 7.29 H new ATOM 0 HA GLU A 18 11.173 -3.762 -6.186 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.180 -2.481 -7.927 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.999 -3.598 -8.583 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.367 -1.744 -8.937 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.428 -0.604 -8.133 1.00 12.65 H new ATOM 302 N PRO A 19 11.686 -1.286 -4.977 1.00 7.24 N ATOM 303 CA PRO A 19 11.655 -0.172 -4.070 1.00 7.07 C ATOM 304 C PRO A 19 11.394 1.236 -4.778 1.00 6.65 C ATOM 305 O PRO A 19 10.984 2.167 -4.109 1.00 6.37 O ATOM 306 CB PRO A 19 13.042 -0.188 -3.509 1.00 7.61 C ATOM 307 CG PRO A 19 13.895 -1.052 -4.494 1.00 8.16 C ATOM 308 CD PRO A 19 12.911 -2.023 -5.014 1.00 7.49 C ATOM 0 HA PRO A 19 10.844 -0.270 -3.348 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.442 0.823 -3.429 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.052 -0.615 -2.506 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.327 -0.448 -5.292 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.722 -1.547 -3.985 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.158 -2.346 -6.025 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.862 -2.919 -4.396 1.00 7.49 H new ATOM 316 N SER A 20 11.675 1.303 -6.118 1.00 6.80 N ATOM 317 CA SER A 20 11.343 2.525 -6.814 1.00 6.28 C ATOM 318 C SER A 20 9.916 2.667 -7.192 1.00 8.45 C ATOM 319 O SER A 20 9.461 3.713 -7.571 1.00 7.26 O ATOM 320 CB SER A 20 12.279 2.543 -8.058 1.00 8.57 C ATOM 321 OG SER A 20 13.583 2.164 -7.770 1.00 11.13 O ATOM 0 H SER A 20 12.101 0.565 -6.679 1.00 6.80 H new ATOM 0 HA SER A 20 11.495 3.378 -6.153 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.874 1.876 -8.819 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.285 3.546 -8.485 1.00 8.57 H new ATOM 0 HG SER A 20 14.121 2.193 -8.589 1.00 11.13 H new ATOM 327 N ASP A 21 9.088 1.574 -7.067 1.00 7.50 N ATOM 328 CA ASP A 21 7.673 1.638 -7.170 1.00 7.70 C ATOM 329 C ASP A 21 6.960 2.647 -6.280 1.00 7.08 C ATOM 330 O ASP A 21 7.333 2.852 -5.111 1.00 8.11 O ATOM 331 CB ASP A 21 6.982 0.244 -7.126 1.00 11.00 C ATOM 332 CG ASP A 21 7.093 -0.456 -8.440 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.451 0.157 -9.478 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.719 -1.666 -8.450 1.00 14.36 O ATOM 0 H ASP A 21 9.438 0.633 -6.890 1.00 7.50 H new ATOM 0 HA ASP A 21 7.550 2.045 -8.174 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.438 -0.366 -6.346 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.931 0.364 -6.863 1.00 11.00 H new ATOM 339 N THR A 22 6.034 3.431 -6.808 1.00 5.37 N ATOM 340 CA THR A 22 5.283 4.372 -6.030 1.00 6.01 C ATOM 341 C THR A 22 4.131 3.849 -5.268 1.00 8.01 C ATOM 342 O THR A 22 3.694 2.762 -5.595 1.00 8.11 O ATOM 343 CB THR A 22 4.865 5.588 -6.808 1.00 8.92 C ATOM 344 OG1 THR A 22 3.982 5.242 -7.906 1.00 10.22 O ATOM 345 CG2 THR A 22 6.090 6.370 -7.434 1.00 9.65 C ATOM 0 H THR A 22 5.789 3.423 -7.798 1.00 5.37 H new ATOM 0 HA THR A 22 6.021 4.650 -5.278 1.00 6.01 H new ATOM 0 HB THR A 22 4.357 6.222 -6.081 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.728 6.055 -8.390 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.725 7.238 -7.984 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.757 6.699 -6.637 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.633 5.712 -8.113 1.00 9.65 H new ATOM 353 N ILE A 23 3.568 4.572 -4.243 1.00 8.32 N ATOM 354 CA ILE A 23 2.428 4.062 -3.445 1.00 9.92 C ATOM 355 C ILE A 23 1.183 3.893 -4.286 1.00 10.01 C ATOM 356 O ILE A 23 0.338 3.031 -4.048 1.00 8.71 O ATOM 357 CB ILE A 23 2.204 4.835 -2.160 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.468 4.888 -1.242 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.958 4.255 -1.349 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.806 3.503 -0.710 1.00 12.30 C ATOM 0 H ILE A 23 3.890 5.498 -3.963 1.00 8.32 H new ATOM 0 HA ILE A 23 2.701 3.061 -3.111 1.00 9.92 H new ATOM 0 HB ILE A 23 1.990 5.860 -2.463 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.315 5.284 -1.803 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.291 5.569 -0.410 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.821 4.829 -0.432 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.059 4.329 -1.961 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.141 3.210 -1.099 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.689 3.563 -0.074 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.966 3.121 -0.130 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.006 2.831 -1.545 1.00 12.30 H new ATOM 372 N GLU A 24 0.990 4.739 -5.278 1.00 9.54 N ATOM 373 CA GLU A 24 0.046 4.594 -6.378 1.00 11.81 C ATOM 374 C GLU A 24 0.164 3.291 -7.112 1.00 11.14 C ATOM 375 O GLU A 24 -0.773 2.585 -7.402 1.00 10.62 O ATOM 376 CB GLU A 24 0.325 5.881 -7.297 1.00 19.24 C ATOM 377 CG GLU A 24 -0.491 5.957 -8.619 1.00 27.76 C ATOM 378 CD GLU A 24 -0.144 7.219 -9.363 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.943 7.355 -9.902 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.998 8.152 -9.442 1.00 34.80 O ATOM 0 H GLU A 24 1.523 5.606 -5.345 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.985 4.557 -6.027 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.115 6.775 -6.710 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.386 5.904 -7.545 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.276 5.087 -9.240 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.558 5.936 -8.400 1.00 27.76 H new ATOM 387 N ASN A 25 1.394 2.912 -7.442 1.00 9.43 N ATOM 388 CA ASN A 25 1.700 1.668 -8.106 1.00 10.96 C ATOM 389 C ASN A 25 1.443 0.448 -7.223 1.00 9.68 C ATOM 390 O ASN A 25 0.777 -0.515 -7.654 1.00 9.33 O ATOM 391 CB ASN A 25 3.164 1.665 -8.667 1.00 16.78 C ATOM 392 CG ASN A 25 3.153 2.261 -10.121 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.095 1.481 -11.077 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.276 3.630 -10.175 1.00 24.70 N ATOM 0 H ASN A 25 2.218 3.480 -7.247 1.00 9.43 H new ATOM 0 HA ASN A 25 1.014 1.592 -8.949 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.816 2.255 -8.023 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.561 0.650 -8.679 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.329 4.102 -11.078 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.314 4.173 -9.312 1.00 24.70 H new ATOM 401 N VAL A 26 1.799 0.473 -5.929 1.00 6.52 N ATOM 402 CA VAL A 26 1.430 -0.465 -4.859 1.00 5.53 C ATOM 403 C VAL A 26 -0.049 -0.667 -4.777 1.00 4.42 C ATOM 404 O VAL A 26 -0.557 -1.782 -4.692 1.00 3.40 O ATOM 405 CB VAL A 26 1.925 -0.051 -3.445 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.389 -1.016 -2.311 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.447 0.203 -3.501 1.00 8.12 C ATOM 0 H VAL A 26 2.404 1.214 -5.575 1.00 6.52 H new ATOM 0 HA VAL A 26 1.934 -1.389 -5.143 1.00 5.53 H new ATOM 0 HB VAL A 26 1.487 0.899 -3.139 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.763 -0.683 -1.343 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.299 -0.999 -2.304 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.735 -2.032 -2.504 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.804 0.494 -2.513 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.956 -0.707 -3.817 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.657 1.002 -4.212 1.00 8.12 H new ATOM 417 N LYS A 27 -0.880 0.415 -4.855 1.00 2.64 N ATOM 418 CA LYS A 27 -2.371 0.333 -4.870 1.00 4.14 C ATOM 419 C LYS A 27 -2.910 -0.481 -6.031 1.00 5.58 C ATOM 420 O LYS A 27 -3.835 -1.314 -5.886 1.00 4.11 O ATOM 421 CB LYS A 27 -3.053 1.723 -4.691 1.00 3.97 C ATOM 422 CG LYS A 27 -2.862 2.360 -3.275 1.00 7.45 C ATOM 423 CD LYS A 27 -3.254 3.799 -3.132 1.00 9.02 C ATOM 424 CE LYS A 27 -3.207 4.357 -1.697 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.372 5.802 -1.701 1.00 15.47 N ATOM 0 H LYS A 27 -0.531 1.372 -4.909 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.655 -0.234 -3.984 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.656 2.408 -5.440 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.120 1.618 -4.888 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.439 1.776 -2.557 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.813 2.263 -2.996 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.597 4.401 -3.760 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.266 3.923 -3.519 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.993 3.898 -1.097 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.257 4.096 -1.231 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.286 6.164 -0.730 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.637 6.234 -2.297 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.310 6.043 -2.079 1.00 15.47 H new ATOM 439 N ALA A 28 -2.355 -0.261 -7.276 1.00 6.61 N ATOM 440 CA ALA A 28 -2.735 -1.117 -8.410 1.00 7.74 C ATOM 441 C ALA A 28 -2.336 -2.558 -8.266 1.00 9.17 C ATOM 442 O ALA A 28 -2.978 -3.451 -8.773 1.00 11.45 O ATOM 443 CB ALA A 28 -2.085 -0.670 -9.722 1.00 7.68 C ATOM 0 H ALA A 28 -1.678 0.471 -7.491 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.821 -1.019 -8.421 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.397 -1.334 -10.528 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.394 0.350 -9.952 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.000 -0.707 -9.622 1.00 7.68 H new ATOM 449 N LYS A 29 -1.269 -2.839 -7.535 1.00 8.96 N ATOM 450 CA LYS A 29 -0.905 -4.192 -7.114 1.00 7.90 C ATOM 451 C LYS A 29 -1.871 -4.883 -6.097 1.00 6.92 C ATOM 452 O LYS A 29 -2.146 -6.084 -6.172 1.00 6.87 O ATOM 453 CB LYS A 29 0.526 -4.190 -6.550 1.00 10.28 C ATOM 454 CG LYS A 29 1.738 -4.307 -7.525 1.00 14.94 C ATOM 455 CD LYS A 29 1.947 -5.633 -8.226 1.00 19.69 C ATOM 456 CE LYS A 29 2.629 -5.516 -9.597 1.00 22.63 C ATOM 457 NZ LYS A 29 4.011 -5.094 -9.321 1.00 24.98 N ATOM 0 H LYS A 29 -0.618 -2.125 -7.210 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.984 -4.793 -8.020 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.652 -3.268 -5.982 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.598 -5.014 -5.840 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.631 -3.536 -8.288 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.644 -4.077 -6.964 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.549 -6.279 -7.587 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.981 -6.121 -8.353 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.609 -6.469 -10.126 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.117 -4.790 -10.228 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.553 -5.078 -10.209 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.006 -4.143 -8.901 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.452 -5.763 -8.658 1.00 24.98 H new ATOM 471 N ILE A 30 -2.339 -4.121 -5.125 1.00 4.57 N ATOM 472 CA ILE A 30 -3.349 -4.535 -4.211 1.00 5.58 C ATOM 473 C ILE A 30 -4.703 -4.821 -4.960 1.00 7.26 C ATOM 474 O ILE A 30 -5.328 -5.853 -4.724 1.00 9.46 O ATOM 475 CB ILE A 30 -3.567 -3.591 -3.085 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.302 -3.589 -2.136 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.819 -3.828 -2.204 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.301 -2.292 -1.333 1.00 2.00 C ATOM 0 H ILE A 30 -2.007 -3.171 -4.958 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.980 -5.458 -3.765 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.735 -2.636 -3.583 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.329 -4.449 -1.467 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.388 -3.671 -2.724 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.861 -3.072 -1.420 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.716 -3.762 -2.820 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.763 -4.818 -1.751 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.434 -2.274 -0.672 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.256 -1.442 -2.014 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.212 -2.232 -0.738 1.00 2.00 H new ATOM 490 N GLN A 31 -5.112 -3.986 -5.954 1.00 7.06 N ATOM 491 CA GLN A 31 -6.213 -4.191 -6.876 1.00 8.67 C ATOM 492 C GLN A 31 -6.152 -5.435 -7.742 1.00 10.90 C ATOM 493 O GLN A 31 -7.160 -6.118 -7.850 1.00 9.63 O ATOM 494 CB GLN A 31 -6.330 -2.924 -7.779 1.00 9.12 C ATOM 495 CG GLN A 31 -7.416 -2.964 -8.885 1.00 10.76 C ATOM 496 CD GLN A 31 -7.547 -1.728 -9.785 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.573 -1.025 -9.821 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.478 -1.546 -10.574 1.00 14.76 N ATOM 0 H GLN A 31 -4.636 -3.100 -6.126 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.092 -4.353 -6.252 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.527 -2.065 -7.138 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.364 -2.753 -8.254 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.218 -3.826 -9.522 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.380 -3.137 -8.406 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.670 -2.163 -10.488 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.473 -0.791 -11.260 1.00 14.76 H new ATOM 507 N ASP A 32 -4.985 -5.740 -8.281 1.00 10.93 N ATOM 508 CA ASP A 32 -4.673 -6.977 -8.991 1.00 14.01 C ATOM 509 C ASP A 32 -5.113 -8.236 -8.121 1.00 14.04 C ATOM 510 O ASP A 32 -5.848 -9.088 -8.583 1.00 13.39 O ATOM 511 CB ASP A 32 -3.170 -6.890 -9.330 1.00 18.01 C ATOM 512 CG ASP A 32 -2.655 -8.114 -10.059 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.042 -8.371 -11.238 1.00 26.29 O ATOM 514 OD2 ASP A 32 -1.820 -8.877 -9.496 1.00 25.17 O ATOM 0 H ASP A 32 -4.188 -5.105 -8.236 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.227 -7.106 -9.921 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.992 -6.007 -9.944 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.603 -6.757 -8.409 1.00 18.01 H new ATOM 519 N LYS A 33 -4.619 -8.249 -6.809 1.00 14.22 N ATOM 520 CA LYS A 33 -4.845 -9.306 -5.918 1.00 14.00 C ATOM 521 C LYS A 33 -6.330 -9.339 -5.387 1.00 12.37 C ATOM 522 O LYS A 33 -6.934 -10.383 -5.382 1.00 12.17 O ATOM 523 CB LYS A 33 -3.922 -9.081 -4.722 1.00 18.62 C ATOM 524 CG LYS A 33 -3.762 -10.195 -3.695 1.00 24.00 C ATOM 525 CD LYS A 33 -3.061 -11.408 -4.298 1.00 27.61 C ATOM 526 CE LYS A 33 -1.577 -11.197 -4.750 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.786 -12.482 -4.924 1.00 30.06 N ATOM 0 H LYS A 33 -4.062 -7.491 -6.414 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.657 -10.247 -6.435 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.931 -8.846 -5.110 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.276 -8.195 -4.195 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.190 -9.828 -2.843 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.742 -10.489 -3.318 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.084 -12.216 -3.566 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.637 -11.743 -5.161 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.571 -10.651 -5.693 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.072 -10.570 -4.015 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.184 -12.255 -5.224 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.758 -12.997 -4.021 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.242 -13.075 -5.647 1.00 30.06 H new ATOM 541 N GLU A 34 -6.860 -8.159 -4.975 1.00 10.11 N ATOM 542 CA GLU A 34 -8.052 -8.057 -4.166 1.00 10.07 C ATOM 543 C GLU A 34 -9.318 -7.446 -4.803 1.00 9.32 C ATOM 544 O GLU A 34 -10.422 -7.584 -4.318 1.00 11.61 O ATOM 545 CB GLU A 34 -7.712 -7.382 -2.809 1.00 14.77 C ATOM 546 CG GLU A 34 -6.881 -8.093 -1.684 1.00 18.75 C ATOM 547 CD GLU A 34 -7.605 -9.318 -1.149 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.710 -9.167 -0.619 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.036 -10.452 -1.146 1.00 21.95 O ATOM 0 H GLU A 34 -6.450 -7.255 -5.210 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.358 -9.094 -4.030 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.184 -6.459 -3.047 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.663 -7.098 -2.358 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.908 -8.387 -2.079 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.696 -7.393 -0.869 1.00 18.75 H new ATOM 556 N GLY A 35 -9.199 -6.783 -5.985 1.00 7.22 N ATOM 557 CA GLY A 35 -10.341 -6.227 -6.646 1.00 6.29 C ATOM 558 C GLY A 35 -10.809 -4.926 -6.104 1.00 6.93 C ATOM 559 O GLY A 35 -11.927 -4.462 -6.218 1.00 7.41 O ATOM 0 H GLY A 35 -8.315 -6.638 -6.472 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.104 -6.099 -7.702 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.160 -6.944 -6.588 1.00 6.29 H new ATOM 563 N ILE A 36 -9.884 -4.239 -5.366 1.00 5.86 N ATOM 564 CA ILE A 36 -10.227 -2.966 -4.728 1.00 6.07 C ATOM 565 C ILE A 36 -9.634 -1.848 -5.560 1.00 6.36 C ATOM 566 O ILE A 36 -8.408 -1.739 -5.647 1.00 6.18 O ATOM 567 CB ILE A 36 -9.665 -2.796 -3.324 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.951 -3.993 -2.438 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.351 -1.410 -2.860 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.411 -3.821 -1.085 1.00 9.49 C ATOM 0 H ILE A 36 -8.925 -4.550 -5.211 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.315 -2.945 -4.660 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.577 -2.749 -3.268 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.028 -4.151 -2.380 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.521 -4.888 -2.888 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.027 -1.164 -1.849 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.054 -0.612 -3.540 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.436 -1.517 -2.878 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.640 -4.703 -0.487 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.330 -3.690 -1.139 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.861 -2.942 -0.623 1.00 9.49 H new ATOM 582 N PRO A 37 -10.375 -0.926 -6.281 1.00 8.65 N ATOM 583 CA PRO A 37 -9.826 0.263 -6.861 1.00 9.18 C ATOM 584 C PRO A 37 -8.786 1.124 -6.088 1.00 9.85 C ATOM 585 O PRO A 37 -9.066 1.288 -4.926 1.00 8.51 O ATOM 586 CB PRO A 37 -11.113 1.106 -7.087 1.00 11.42 C ATOM 587 CG PRO A 37 -12.266 0.125 -7.403 1.00 9.27 C ATOM 588 CD PRO A 37 -11.815 -1.021 -6.504 1.00 8.33 C ATOM 0 HA PRO A 37 -9.215 -0.036 -7.713 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.345 1.696 -6.200 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.971 1.808 -7.909 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.246 0.518 -7.133 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.313 -0.152 -8.456 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.345 -0.981 -5.552 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.060 -1.978 -6.965 1.00 8.33 H new ATOM 596 N PRO A 38 -7.665 1.694 -6.572 1.00 8.71 N ATOM 597 CA PRO A 38 -6.739 2.531 -5.812 1.00 9.08 C ATOM 598 C PRO A 38 -7.325 3.708 -5.137 1.00 9.28 C ATOM 599 O PRO A 38 -6.838 4.049 -4.068 1.00 6.50 O ATOM 600 CB PRO A 38 -5.657 2.831 -6.879 1.00 10.31 C ATOM 601 CG PRO A 38 -5.681 1.590 -7.834 1.00 10.81 C ATOM 602 CD PRO A 38 -7.126 1.180 -7.839 1.00 12.00 C ATOM 0 HA PRO A 38 -6.347 2.038 -4.923 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.879 3.751 -7.420 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.676 2.959 -6.422 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.333 1.847 -8.835 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.038 0.790 -7.468 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.654 1.602 -8.694 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.230 0.097 -7.903 1.00 12.00 H new ATOM 610 N ASP A 39 -8.431 4.253 -5.675 1.00 11.20 N ATOM 611 CA ASP A 39 -9.163 5.406 -5.080 1.00 14.96 C ATOM 612 C ASP A 39 -10.113 4.977 -3.981 1.00 13.99 C ATOM 613 O ASP A 39 -10.790 5.812 -3.326 1.00 13.75 O ATOM 614 CB ASP A 39 -9.941 6.179 -6.126 1.00 24.16 C ATOM 615 CG ASP A 39 -8.948 6.830 -7.014 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.207 7.773 -6.558 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.876 6.448 -8.196 1.00 34.22 O ATOM 0 H ASP A 39 -8.851 3.910 -6.539 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.397 6.052 -4.650 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.588 5.512 -6.695 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.584 6.923 -5.656 1.00 24.16 H new ATOM 622 N GLN A 40 -10.224 3.693 -3.648 1.00 11.60 N ATOM 623 CA GLN A 40 -10.933 3.220 -2.462 1.00 10.76 C ATOM 624 C GLN A 40 -9.953 2.788 -1.400 1.00 8.01 C ATOM 625 O GLN A 40 -10.402 2.252 -0.414 1.00 8.96 O ATOM 626 CB GLN A 40 -11.851 1.988 -2.740 1.00 11.14 C ATOM 627 CG GLN A 40 -13.145 2.222 -3.631 1.00 14.85 C ATOM 628 CD GLN A 40 -13.956 0.959 -3.767 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.988 0.069 -2.956 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.816 1.010 -4.844 1.00 18.16 N ATOM 0 H GLN A 40 -9.817 2.940 -4.204 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.546 4.062 -2.142 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.246 1.220 -3.221 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.173 1.585 -1.780 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.759 3.004 -3.185 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.849 2.574 -4.619 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.756 1.782 -5.508 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.512 0.276 -4.976 1.00 18.16 H new ATOM 639 N GLN A 41 -8.657 3.002 -1.587 1.00 6.52 N ATOM 640 CA GLN A 41 -7.714 2.457 -0.693 1.00 3.87 C ATOM 641 C GLN A 41 -6.905 3.540 -0.015 1.00 4.79 C ATOM 642 O GLN A 41 -6.718 4.615 -0.612 1.00 6.34 O ATOM 643 CB GLN A 41 -6.615 1.636 -1.487 1.00 4.20 C ATOM 644 CG GLN A 41 -7.134 0.401 -2.233 1.00 3.20 C ATOM 645 CD GLN A 41 -6.042 -0.400 -2.940 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.917 -0.430 -2.418 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.399 -1.056 -4.051 1.00 7.13 N ATOM 0 H GLN A 41 -8.263 3.549 -2.352 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.288 1.856 0.013 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.137 2.301 -2.206 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.844 1.319 -0.785 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.647 -0.250 -1.525 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.873 0.717 -2.969 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.350 -0.972 -4.409 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.720 -1.640 -4.539 1.00 7.13 H new ATOM 656 N ARG A 42 -6.459 3.279 1.223 1.00 5.73 N ATOM 657 CA ARG A 42 -5.467 4.038 1.998 1.00 6.97 C ATOM 658 C ARG A 42 -4.335 3.135 2.468 1.00 7.15 C ATOM 659 O ARG A 42 -4.530 1.921 2.745 1.00 7.33 O ATOM 660 CB ARG A 42 -5.974 4.803 3.233 1.00 13.23 C ATOM 661 CG ARG A 42 -7.025 5.824 2.836 1.00 21.27 C ATOM 662 CD ARG A 42 -7.234 6.821 3.981 1.00 26.14 C ATOM 663 NE ARG A 42 -7.914 7.963 3.345 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.154 8.395 3.612 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.011 7.814 4.412 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.554 9.532 3.009 1.00 36.39 N ATOM 0 H ARG A 42 -6.807 2.475 1.745 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.146 4.792 1.279 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.395 4.102 3.954 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.140 5.304 3.725 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.712 6.351 1.935 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.964 5.322 2.602 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.840 6.391 4.779 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.285 7.120 4.427 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.391 8.473 2.634 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.754 6.954 4.896 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.936 8.221 4.551 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.921 10.025 2.380 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.490 9.899 3.182 1.00 36.39 H new ATOM 680 N LEU A 43 -3.112 3.693 2.506 1.00 4.65 N ATOM 681 CA LEU A 43 -1.956 2.950 2.941 1.00 3.51 C ATOM 682 C LEU A 43 -1.169 3.729 4.049 1.00 5.56 C ATOM 683 O LEU A 43 -1.099 4.963 4.072 1.00 4.19 O ATOM 684 CB LEU A 43 -1.008 2.561 1.759 1.00 3.74 C ATOM 685 CG LEU A 43 -1.728 1.575 0.809 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.921 1.318 -0.487 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.099 0.210 1.374 1.00 6.41 C ATOM 0 H LEU A 43 -2.917 4.657 2.237 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.329 2.019 3.368 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.710 3.455 1.211 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.097 2.106 2.147 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.660 2.108 0.623 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.466 0.620 -1.123 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.779 2.258 -1.020 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.051 0.895 -0.233 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.597 -0.379 0.604 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.196 -0.307 1.700 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.770 0.338 2.223 1.00 6.41 H new ATOM 699 N ILE A 44 -0.641 2.966 5.005 1.00 4.58 N ATOM 700 CA ILE A 44 -0.089 3.453 6.250 1.00 5.55 C ATOM 701 C ILE A 44 1.077 2.543 6.509 1.00 5.46 C ATOM 702 O ILE A 44 0.943 1.330 6.387 1.00 6.04 O ATOM 703 CB ILE A 44 -1.063 3.469 7.456 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.263 4.416 7.201 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.410 3.949 8.855 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.230 4.772 8.280 1.00 13.90 C ATOM 0 H ILE A 44 -0.588 1.951 4.921 1.00 4.58 H new ATOM 0 HA ILE A 44 0.175 4.506 6.149 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.363 2.425 7.546 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.851 5.353 6.826 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.844 3.977 6.390 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.169 3.927 9.637 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.408 3.280 9.123 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.028 4.964 8.749 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.988 5.446 7.881 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.709 3.867 8.653 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.700 5.264 9.096 1.00 13.90 H new ATOM 718 N PHE A 45 2.215 3.094 7.017 1.00 6.75 N ATOM 719 CA PHE A 45 3.322 2.351 7.524 1.00 4.70 C ATOM 720 C PHE A 45 4.067 3.216 8.504 1.00 6.34 C ATOM 721 O PHE A 45 4.223 4.456 8.366 1.00 5.45 O ATOM 722 CB PHE A 45 4.236 1.777 6.365 1.00 5.51 C ATOM 723 CG PHE A 45 5.646 1.365 6.836 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.825 0.145 7.421 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.732 2.196 6.604 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.129 -0.335 7.782 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.950 1.812 7.056 1.00 6.64 C ATOM 728 CZ PHE A 45 8.241 0.560 7.581 1.00 6.84 C ATOM 0 H PHE A 45 2.356 4.103 7.070 1.00 6.75 H new ATOM 0 HA PHE A 45 2.965 1.466 8.050 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.744 0.912 5.920 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.329 2.529 5.581 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.963 -0.476 7.617 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.609 3.129 6.074 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.271 -1.326 8.187 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.753 2.532 7.004 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.252 0.271 7.827 1.00 6.84 H new ATOM 738 N ALA A 46 4.664 2.629 9.625 1.00 6.53 N ATOM 739 CA ALA A 46 5.311 3.358 10.685 1.00 7.15 C ATOM 740 C ALA A 46 4.567 4.585 11.345 1.00 9.00 C ATOM 741 O ALA A 46 5.147 5.571 11.785 1.00 11.15 O ATOM 742 CB ALA A 46 6.665 3.836 10.301 1.00 8.99 C ATOM 0 H ALA A 46 4.681 1.619 9.769 1.00 6.53 H new ATOM 0 HA ALA A 46 5.323 2.577 11.445 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.109 4.379 11.135 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.294 2.982 10.048 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.586 4.497 9.438 1.00 8.99 H new ATOM 748 N GLY A 47 3.277 4.425 11.456 1.00 9.35 N ATOM 749 CA GLY A 47 2.281 5.424 11.887 1.00 11.68 C ATOM 750 C GLY A 47 1.938 6.490 10.896 1.00 11.14 C ATOM 751 O GLY A 47 1.266 7.430 11.270 1.00 13.93 O ATOM 0 H GLY A 47 2.840 3.530 11.235 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.364 4.899 12.155 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.649 5.905 12.793 1.00 11.68 H new ATOM 755 N LYS A 48 2.523 6.479 9.690 1.00 10.47 N ATOM 756 CA LYS A 48 2.417 7.569 8.719 1.00 8.82 C ATOM 757 C LYS A 48 1.641 7.049 7.579 1.00 7.68 C ATOM 758 O LYS A 48 1.899 5.952 7.021 1.00 6.47 O ATOM 759 CB LYS A 48 3.777 8.113 8.197 1.00 9.74 C ATOM 760 CG LYS A 48 4.859 7.957 9.267 1.00 14.14 C ATOM 761 CD LYS A 48 6.287 8.304 8.754 1.00 16.32 C ATOM 762 CE LYS A 48 7.357 7.691 9.601 1.00 20.04 C ATOM 763 NZ LYS A 48 8.609 7.743 8.857 1.00 23.92 N ATOM 0 H LYS A 48 3.091 5.699 9.360 1.00 10.47 H new ATOM 0 HA LYS A 48 1.943 8.412 9.222 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.069 7.576 7.295 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.675 9.163 7.924 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.618 8.600 10.114 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.852 6.931 9.634 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.396 7.957 7.726 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.413 9.387 8.740 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.452 8.230 10.544 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.103 6.660 9.848 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.370 7.321 9.427 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.507 7.212 7.969 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.845 8.733 8.643 1.00 23.92 H new ATOM 777 N GLN A 49 0.572 7.797 7.147 1.00 8.89 N ATOM 778 CA GLN A 49 -0.154 7.446 5.896 1.00 7.18 C ATOM 779 C GLN A 49 0.737 7.563 4.714 1.00 8.23 C ATOM 780 O GLN A 49 1.535 8.515 4.749 1.00 9.70 O ATOM 781 CB GLN A 49 -1.452 8.348 5.651 1.00 11.67 C ATOM 782 CG GLN A 49 -2.431 7.852 4.569 1.00 15.82 C ATOM 783 CD GLN A 49 -3.693 8.703 4.629 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.433 8.886 5.599 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.001 9.353 3.497 1.00 20.67 N ATOM 0 H GLN A 49 0.211 8.617 7.634 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.479 6.413 6.024 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.995 8.430 6.593 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.125 9.353 5.383 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.973 7.924 3.583 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.675 6.802 4.732 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.420 9.235 2.667 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.816 9.965 3.466 1.00 20.67 H new ATOM 794 N LEU A 50 0.638 6.760 3.630 1.00 6.51 N ATOM 795 CA LEU A 50 1.599 6.693 2.517 1.00 7.41 C ATOM 796 C LEU A 50 0.908 7.399 1.355 1.00 8.27 C ATOM 797 O LEU A 50 -0.268 7.203 0.974 1.00 8.34 O ATOM 798 CB LEU A 50 1.982 5.231 2.112 1.00 7.13 C ATOM 799 CG LEU A 50 2.602 4.406 3.273 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.754 2.931 2.914 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.833 5.054 3.904 1.00 9.11 C ATOM 0 H LEU A 50 -0.145 6.118 3.507 1.00 6.51 H new ATOM 0 HA LEU A 50 2.541 7.159 2.806 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.091 4.718 1.749 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.690 5.266 1.284 1.00 7.13 H new ATOM 0 HG LEU A 50 1.878 4.422 4.088 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.191 2.395 3.756 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.775 2.510 2.684 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.404 2.833 2.045 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.208 4.418 4.706 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.607 5.178 3.147 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.563 6.029 4.310 1.00 9.11 H new ATOM 813 N GLU A 51 1.668 8.306 0.779 1.00 9.43 N ATOM 814 CA GLU A 51 1.162 9.151 -0.339 1.00 11.90 C ATOM 815 C GLU A 51 1.574 8.703 -1.767 1.00 11.49 C ATOM 816 O GLU A 51 2.719 8.241 -1.939 1.00 9.88 O ATOM 817 CB GLU A 51 1.606 10.640 -0.025 1.00 16.56 C ATOM 818 CG GLU A 51 1.046 11.717 -0.943 1.00 26.06 C ATOM 819 CD GLU A 51 1.818 12.988 -0.752 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.470 13.657 0.262 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.798 13.260 -1.451 1.00 32.13 O ATOM 0 H GLU A 51 2.634 8.494 1.047 1.00 9.43 H new ATOM 0 HA GLU A 51 0.077 9.049 -0.374 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.313 10.876 0.998 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.694 10.688 -0.064 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.109 11.393 -1.982 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.009 11.883 -0.725 1.00 26.06 H new ATOM 828 N ASP A 52 0.629 8.777 -2.690 1.00 12.71 N ATOM 829 CA ASP A 52 0.556 8.117 -3.983 1.00 16.56 C ATOM 830 C ASP A 52 1.746 8.390 -4.861 1.00 15.83 C ATOM 831 O ASP A 52 2.338 7.419 -5.333 1.00 17.21 O ATOM 832 CB ASP A 52 -0.716 8.592 -4.652 1.00 21.05 C ATOM 833 CG ASP A 52 -1.921 7.995 -3.987 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.945 6.716 -3.812 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.841 8.738 -3.515 1.00 28.37 O ATOM 0 H ASP A 52 -0.192 9.363 -2.535 1.00 12.71 H new ATOM 0 HA ASP A 52 0.555 7.038 -3.828 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.772 9.680 -4.607 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.703 8.316 -5.707 1.00 21.05 H new ATOM 840 N GLY A 53 2.186 9.598 -5.094 1.00 15.00 N ATOM 841 CA GLY A 53 3.373 9.852 -5.972 1.00 11.77 C ATOM 842 C GLY A 53 4.726 9.706 -5.307 1.00 11.10 C ATOM 843 O GLY A 53 5.774 9.982 -5.907 1.00 11.25 O ATOM 0 H GLY A 53 1.764 10.441 -4.704 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.329 9.166 -6.818 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.294 10.862 -6.375 1.00 11.77 H new ATOM 847 N ARG A 54 4.800 9.296 -3.998 1.00 8.53 N ATOM 848 CA ARG A 54 6.092 9.057 -3.342 1.00 9.05 C ATOM 849 C ARG A 54 6.382 7.569 -3.448 1.00 8.96 C ATOM 850 O ARG A 54 5.481 6.745 -3.601 1.00 11.60 O ATOM 851 CB ARG A 54 6.038 9.582 -1.872 1.00 7.97 C ATOM 852 CG ARG A 54 5.500 11.011 -1.777 1.00 9.62 C ATOM 853 CD ARG A 54 5.966 11.662 -0.486 1.00 12.20 C ATOM 854 NE ARG A 54 5.174 12.937 -0.474 1.00 18.23 N ATOM 855 CZ ARG A 54 5.311 13.813 0.587 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.457 13.869 1.262 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.242 14.501 0.955 1.00 23.38 N ATOM 0 H ARG A 54 3.987 9.133 -3.404 1.00 8.53 H new ATOM 0 HA ARG A 54 6.908 9.599 -3.821 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.409 8.920 -1.277 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.038 9.545 -1.440 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.843 11.594 -2.631 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.411 11.001 -1.815 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.752 11.041 0.384 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.040 11.849 -0.488 1.00 12.20 H new ATOM 0 HE ARG A 54 4.540 13.155 -1.242 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.235 13.265 0.997 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.557 14.516 2.044 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.359 14.374 0.460 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.301 15.158 1.733 1.00 23.38 H new ATOM 871 N THR A 55 7.698 7.286 -3.414 1.00 9.05 N ATOM 872 CA THR A 55 8.286 5.949 -3.591 1.00 9.03 C ATOM 873 C THR A 55 8.325 5.270 -2.266 1.00 8.15 C ATOM 874 O THR A 55 8.614 5.932 -1.188 1.00 5.91 O ATOM 875 CB THR A 55 9.649 5.956 -4.280 1.00 11.15 C ATOM 876 OG1 THR A 55 10.584 6.660 -3.556 1.00 11.95 O ATOM 877 CG2 THR A 55 9.526 6.663 -5.659 1.00 11.71 C ATOM 0 H THR A 55 8.402 8.007 -3.257 1.00 9.05 H new ATOM 0 HA THR A 55 7.650 5.388 -4.276 1.00 9.03 H new ATOM 0 HB THR A 55 9.965 4.917 -4.377 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.353 6.083 -3.366 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.498 6.669 -6.153 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.807 6.128 -6.279 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.187 7.688 -5.513 1.00 11.71 H new ATOM 885 N LEU A 56 8.107 3.963 -2.294 1.00 6.91 N ATOM 886 CA LEU A 56 8.462 3.029 -1.214 1.00 8.29 C ATOM 887 C LEU A 56 9.788 3.311 -0.539 1.00 8.05 C ATOM 888 O LEU A 56 9.886 3.324 0.668 1.00 10.17 O ATOM 889 CB LEU A 56 8.429 1.541 -1.708 1.00 6.60 C ATOM 890 CG LEU A 56 7.041 0.987 -1.984 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.017 -0.232 -2.723 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.228 0.692 -0.666 1.00 8.64 C ATOM 0 H LEU A 56 7.665 3.501 -3.089 1.00 6.91 H new ATOM 0 HA LEU A 56 7.693 3.189 -0.458 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.023 1.463 -2.619 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.912 0.914 -0.958 1.00 6.60 H new ATOM 0 HG LEU A 56 6.592 1.786 -2.573 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.984 -0.548 -2.870 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.491 -0.079 -3.692 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.557 -1.002 -2.172 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.245 0.298 -0.925 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.765 -0.041 -0.064 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.111 1.614 -0.097 1.00 8.64 H new ATOM 904 N SER A 57 10.820 3.599 -1.340 1.00 8.92 N ATOM 905 CA SER A 57 12.203 3.746 -0.934 1.00 9.00 C ATOM 906 C SER A 57 12.407 4.957 -0.091 1.00 9.44 C ATOM 907 O SER A 57 13.169 5.011 0.876 1.00 10.91 O ATOM 908 CB SER A 57 13.154 3.881 -2.204 1.00 10.32 C ATOM 909 OG SER A 57 12.667 4.795 -3.153 1.00 13.59 O ATOM 0 H SER A 57 10.695 3.742 -2.342 1.00 8.92 H new ATOM 0 HA SER A 57 12.450 2.853 -0.360 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.145 4.196 -1.878 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.268 2.904 -2.673 1.00 10.32 H new ATOM 0 HG SER A 57 13.287 4.842 -3.910 1.00 13.59 H new ATOM 915 N ASP A 58 11.707 6.085 -0.437 1.00 9.11 N ATOM 916 CA ASP A 58 11.796 7.343 0.344 1.00 7.91 C ATOM 917 C ASP A 58 11.131 7.130 1.706 1.00 9.12 C ATOM 918 O ASP A 58 11.449 7.851 2.668 1.00 8.61 O ATOM 919 CB ASP A 58 11.028 8.435 -0.434 1.00 8.41 C ATOM 920 CG ASP A 58 11.555 9.770 -0.139 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.776 10.066 -0.226 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.686 10.640 -0.029 1.00 11.70 O ATOM 0 H ASP A 58 11.085 6.138 -1.244 1.00 9.11 H new ATOM 0 HA ASP A 58 12.835 7.637 0.491 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.101 8.241 -1.504 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.970 8.394 -0.174 1.00 8.41 H new ATOM 927 N TYR A 59 10.274 6.094 1.906 1.00 7.97 N ATOM 928 CA TYR A 59 9.666 5.785 3.170 1.00 8.45 C ATOM 929 C TYR A 59 10.564 4.704 3.871 1.00 10.98 C ATOM 930 O TYR A 59 10.304 4.413 5.028 1.00 12.95 O ATOM 931 CB TYR A 59 8.171 5.151 3.111 1.00 7.94 C ATOM 932 CG TYR A 59 7.163 6.145 2.803 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.829 7.165 3.726 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.617 6.191 1.465 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.894 8.099 3.436 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.589 7.206 1.218 1.00 6.52 C ATOM 937 CZ TYR A 59 5.333 8.167 2.168 1.00 6.76 C ATOM 938 OH TYR A 59 4.374 9.175 1.769 1.00 7.63 O ATOM 0 H TYR A 59 9.999 5.455 1.160 1.00 7.97 H new ATOM 0 HA TYR A 59 9.583 6.740 3.690 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.143 4.363 2.358 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.938 4.686 4.069 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.331 7.198 4.682 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.948 5.515 0.691 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.581 8.798 4.198 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.034 7.199 0.292 1.00 6.52 H new ATOM 0 HH TYR A 59 4.420 9.304 0.799 1.00 7.63 H new ATOM 948 N ASN A 60 11.651 4.220 3.258 1.00 12.38 N ATOM 949 CA ASN A 60 12.643 3.316 3.777 1.00 13.94 C ATOM 950 C ASN A 60 11.972 2.001 4.112 1.00 14.16 C ATOM 951 O ASN A 60 12.137 1.406 5.162 1.00 14.26 O ATOM 952 CB ASN A 60 13.349 3.800 5.096 1.00 19.23 C ATOM 953 CG ASN A 60 14.463 4.791 4.641 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.483 4.299 4.180 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.289 6.088 4.984 1.00 24.09 N ATOM 0 H ASN A 60 11.863 4.486 2.297 1.00 12.38 H new ATOM 0 HA ASN A 60 13.403 3.241 2.999 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.639 4.289 5.763 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.774 2.959 5.644 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.052 6.754 4.864 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.395 6.400 5.362 1.00 24.09 H new ATOM 962 N ILE A 61 11.186 1.488 3.136 1.00 11.08 N ATOM 963 CA ILE A 61 10.520 0.180 3.099 1.00 11.78 C ATOM 964 C ILE A 61 11.266 -0.898 2.377 1.00 13.74 C ATOM 965 O ILE A 61 11.442 -0.814 1.145 1.00 14.60 O ATOM 966 CB ILE A 61 9.105 0.325 2.453 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.189 1.206 3.339 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.399 -1.021 2.235 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.058 1.818 2.640 1.00 11.42 C ATOM 0 H ILE A 61 10.991 2.026 2.292 1.00 11.08 H new ATOM 0 HA ILE A 61 10.465 -0.135 4.141 1.00 11.78 H new ATOM 0 HB ILE A 61 9.273 0.787 1.480 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.805 0.597 4.157 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.792 1.997 3.786 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.422 -0.850 1.784 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.000 -1.644 1.573 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.273 -1.525 3.193 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.476 2.415 3.342 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.428 2.458 1.840 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.426 1.037 2.217 1.00 11.42 H new ATOM 981 N GLN A 62 11.735 -1.906 3.128 1.00 13.97 N ATOM 982 CA GLN A 62 12.578 -2.977 2.673 1.00 15.52 C ATOM 983 C GLN A 62 11.721 -4.291 2.404 1.00 13.94 C ATOM 984 O GLN A 62 10.505 -4.333 2.497 1.00 12.15 O ATOM 985 CB GLN A 62 13.703 -3.129 3.735 1.00 19.53 C ATOM 986 CG GLN A 62 14.553 -1.834 4.012 1.00 26.38 C ATOM 987 CD GLN A 62 15.314 -1.960 5.317 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.108 -1.188 6.262 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.272 -2.846 5.398 1.00 32.71 N ATOM 0 H GLN A 62 11.513 -1.983 4.121 1.00 13.97 H new ATOM 0 HA GLN A 62 13.044 -2.771 1.709 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.252 -3.454 4.673 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.377 -3.923 3.414 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.252 -1.670 3.192 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.897 -0.964 4.050 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.444 -3.484 4.621 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.847 -2.900 6.239 1.00 32.71 H new ATOM 998 N LYS A 63 12.385 -5.287 1.910 1.00 11.73 N ATOM 999 CA LYS A 63 11.855 -6.643 1.737 1.00 11.97 C ATOM 1000 C LYS A 63 11.153 -7.208 2.970 1.00 10.41 C ATOM 1001 O LYS A 63 11.569 -6.980 4.119 1.00 9.59 O ATOM 1002 CB LYS A 63 12.927 -7.691 1.237 1.00 13.73 C ATOM 1003 CG LYS A 63 14.037 -7.968 2.212 1.00 16.98 C ATOM 1004 CD LYS A 63 15.018 -9.110 1.707 1.00 20.19 C ATOM 1005 CE LYS A 63 16.000 -9.641 2.784 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.177 -10.448 3.803 1.00 25.97 N ATOM 0 H LYS A 63 13.352 -5.196 1.597 1.00 11.73 H new ATOM 0 HA LYS A 63 11.109 -6.504 0.954 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.420 -8.628 1.009 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.362 -7.329 0.305 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.605 -7.053 2.380 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.609 -8.259 3.172 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.423 -9.944 1.334 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.595 -8.729 0.864 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.767 -10.268 2.328 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.514 -8.815 3.275 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.728 -11.271 4.121 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.950 -9.846 4.621 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.295 -10.773 3.358 1.00 25.97 H new ATOM 1020 N GLU A 64 10.018 -7.876 2.761 1.00 10.04 N ATOM 1021 CA GLU A 64 9.283 -8.613 3.818 1.00 10.94 C ATOM 1022 C GLU A 64 8.483 -7.661 4.803 1.00 9.74 C ATOM 1023 O GLU A 64 8.046 -8.062 5.900 1.00 9.42 O ATOM 1024 CB GLU A 64 10.101 -9.664 4.627 1.00 18.31 C ATOM 1025 CG GLU A 64 10.694 -10.672 3.620 1.00 24.16 C ATOM 1026 CD GLU A 64 11.857 -11.439 4.210 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.811 -11.732 5.409 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.835 -11.624 3.454 1.00 31.72 O ATOM 0 H GLU A 64 9.569 -7.928 1.847 1.00 10.04 H new ATOM 0 HA GLU A 64 8.573 -9.194 3.230 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.895 -9.177 5.194 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.462 -10.174 5.348 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.919 -11.372 3.307 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.024 -10.142 2.727 1.00 24.16 H new ATOM 1035 N SER A 65 8.449 -6.395 4.485 1.00 6.85 N ATOM 1036 CA SER A 65 7.805 -5.328 5.235 1.00 6.90 C ATOM 1037 C SER A 65 6.305 -5.397 5.117 1.00 4.72 C ATOM 1038 O SER A 65 5.856 -5.781 4.082 1.00 3.91 O ATOM 1039 CB SER A 65 8.259 -3.898 4.932 1.00 7.28 C ATOM 1040 OG SER A 65 7.993 -2.944 5.980 1.00 10.56 O ATOM 0 H SER A 65 8.899 -6.049 3.638 1.00 6.85 H new ATOM 0 HA SER A 65 8.135 -5.527 6.254 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.330 -3.907 4.731 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.767 -3.561 4.020 1.00 7.28 H new ATOM 0 HG SER A 65 8.315 -2.060 5.707 1.00 10.56 H new ATOM 1046 N THR A 66 5.553 -5.003 6.158 1.00 4.48 N ATOM 1047 CA THR A 66 4.089 -5.115 6.132 1.00 3.80 C ATOM 1048 C THR A 66 3.569 -3.649 6.064 1.00 4.60 C ATOM 1049 O THR A 66 3.913 -2.800 6.901 1.00 5.33 O ATOM 1050 CB THR A 66 3.594 -5.744 7.456 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.922 -7.122 7.570 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.050 -5.680 7.554 1.00 3.40 C ATOM 0 H THR A 66 5.932 -4.608 7.019 1.00 4.48 H new ATOM 0 HA THR A 66 3.745 -5.728 5.299 1.00 3.80 H new ATOM 0 HB THR A 66 4.086 -5.169 8.241 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.588 -7.468 8.424 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.726 -6.128 8.493 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.726 -4.640 7.518 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.610 -6.227 6.720 1.00 3.40 H new ATOM 1060 N LEU A 67 2.697 -3.337 5.094 1.00 4.17 N ATOM 1061 CA LEU A 67 1.989 -2.100 5.010 1.00 3.85 C ATOM 1062 C LEU A 67 0.575 -2.286 5.507 1.00 3.80 C ATOM 1063 O LEU A 67 -0.070 -3.360 5.324 1.00 5.54 O ATOM 1064 CB LEU A 67 1.978 -1.620 3.558 1.00 7.18 C ATOM 1065 CG LEU A 67 3.345 -1.556 2.874 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.269 -1.034 1.435 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.388 -0.740 3.596 1.00 11.66 C ATOM 0 H LEU A 67 2.474 -3.977 4.332 1.00 4.17 H new ATOM 0 HA LEU A 67 2.484 -1.353 5.631 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.333 -2.282 2.980 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.528 -0.628 3.525 1.00 7.18 H new ATOM 0 HG LEU A 67 3.658 -2.600 2.890 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.269 -1.011 1.003 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.633 -1.691 0.843 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.851 -0.027 1.435 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.320 -0.758 3.030 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.042 0.289 3.693 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.557 -1.161 4.587 1.00 11.66 H new ATOM 1079 N HIS A 68 0.037 -1.299 6.128 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.257 -1.394 6.735 1.00 4.17 C ATOM 1081 C HIS A 68 -2.200 -0.815 5.716 1.00 5.32 C ATOM 1082 O HIS A 68 -2.005 0.247 5.126 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.265 -0.584 8.072 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.093 -1.032 8.914 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.215 -0.559 8.849 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.053 -2.149 9.747 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.965 -1.346 9.634 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.240 -2.309 10.182 1.00 16.30 N ATOM 0 H HIS A 68 0.482 -0.388 6.235 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.542 -2.414 6.994 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.197 0.484 7.867 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.200 -0.747 8.608 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.892 -2.778 10.005 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.024 -1.212 9.798 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.579 -3.036 10.812 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.295 -1.571 5.494 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.275 -1.292 4.482 1.00 3.97 C ATOM 1098 C LEU A 69 -5.478 -0.883 5.197 1.00 5.07 C ATOM 1099 O LEU A 69 -6.070 -1.602 5.996 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.518 -2.460 3.578 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.706 -2.350 2.540 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.646 -1.173 1.550 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.663 -3.615 1.736 1.00 9.96 C ATOM 0 H LEU A 69 -3.506 -2.407 6.039 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.929 -0.505 3.812 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.601 -2.649 3.020 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.697 -3.336 4.202 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.614 -2.185 3.120 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.514 -1.207 0.892 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.645 -0.233 2.102 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.736 -1.245 0.954 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.463 -3.603 0.996 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.701 -3.692 1.229 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.794 -4.471 2.398 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.937 0.348 4.931 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.215 0.882 5.418 1.00 6.26 C ATOM 1117 C VAL A 70 -8.077 1.224 4.222 1.00 9.22 C ATOM 1118 O VAL A 70 -7.540 1.747 3.261 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.006 2.062 6.345 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.353 2.733 6.737 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.302 1.565 7.626 1.00 8.54 C ATOM 0 H VAL A 70 -5.418 1.014 4.359 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.730 0.130 6.016 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.399 2.803 5.825 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.160 3.575 7.402 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.857 3.089 5.839 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.987 2.007 7.245 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.145 2.404 8.304 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.924 0.815 8.115 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.340 1.124 7.365 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.407 0.909 4.234 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.315 1.208 3.110 1.00 16.06 C ATOM 1133 C LEU A 71 -11.101 2.437 3.289 1.00 18.09 C ATOM 1134 O LEU A 71 -11.682 2.784 4.328 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.257 0.055 2.741 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.555 -1.332 2.496 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.571 -2.370 1.889 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.460 -1.158 1.474 1.00 19.57 C ATOM 0 H LEU A 71 -9.864 0.446 5.019 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.626 1.361 2.279 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.990 -0.063 3.539 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.807 0.330 1.841 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.170 -1.687 3.452 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.065 -3.322 1.727 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.402 -2.513 2.580 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.950 -1.995 0.939 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.969 -2.116 1.300 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.888 -0.794 0.540 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.729 -0.438 1.843 1.00 19.57 H new