USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 118:sc= 1.22 USER MOD Set 1.2: A 57 SER OG : rot -85:sc= 1.36 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.375 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.405 K(o=0.78,f=0) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.137 USER MOD Set 3.2: A 9 THR OG1 : rot -38:sc= 0.0611 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 168:sc= 0.888 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 130:sc= 0.778 USER MOD Single : A 1 MET CE :methyl 167:sc= 0 (180deg=-0.362) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.25 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.66) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.16 (180deg=1.07) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= 1.74 (180deg=-0.509) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0137) USER MOD Single : A 31 GLN : amide:sc= -0.0312 K(o=-0.031,f=-0.56) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0248 X(o=-0.025,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= 1.08 K(o=1.1,f=-1.8!) 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 59 TYR OH : rot 30:sc= 0.472 USER MOD Single : A 60 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.1) 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 82:sc= 0.909 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.459 -7.256 -5.207 1.00 9.67 N ATOM 2 CA MET A 1 11.552 -6.979 -3.708 1.00 10.38 C ATOM 3 C MET A 1 10.222 -7.456 -3.108 1.00 9.62 C ATOM 4 O MET A 1 9.232 -7.439 -3.814 1.00 9.62 O ATOM 5 CB MET A 1 11.750 -5.431 -3.412 1.00 13.77 C ATOM 6 CG MET A 1 11.961 -5.217 -1.869 1.00 16.29 C ATOM 7 SD MET A 1 12.360 -3.519 -1.401 1.00 17.17 S ATOM 8 CE MET A 1 10.779 -2.706 -1.649 1.00 16.11 C ATOM 0 H1 MET A 1 12.363 -7.015 -5.661 1.00 9.67 H new ATOM 0 H2 MET A 1 11.252 -8.263 -5.362 1.00 9.67 H new ATOM 0 H3 MET A 1 10.699 -6.679 -5.620 1.00 9.67 H new ATOM 0 HA MET A 1 12.410 -7.495 -3.276 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.610 -5.051 -3.964 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.880 -4.870 -3.752 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.056 -5.523 -1.345 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.763 -5.873 -1.530 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.802 -1.718 -1.188 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.586 -2.604 -2.717 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.988 -3.301 -1.192 1.00 16.11 H new ATOM 20 N GLN A 2 10.073 -7.953 -1.896 1.00 9.27 N ATOM 21 CA GLN A 2 8.775 -8.303 -1.315 1.00 9.07 C ATOM 22 C GLN A 2 8.309 -7.268 -0.341 1.00 8.72 C ATOM 23 O GLN A 2 9.139 -6.545 0.270 1.00 8.22 O ATOM 24 CB GLN A 2 8.874 -9.646 -0.555 1.00 14.46 C ATOM 25 CG GLN A 2 8.831 -10.783 -1.508 1.00 17.01 C ATOM 26 CD GLN A 2 9.007 -12.045 -0.740 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.865 -12.189 0.129 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.251 -13.093 -1.204 1.00 19.49 N ATOM 0 H GLN A 2 10.859 -8.131 -1.270 1.00 9.27 H new ATOM 0 HA GLN A 2 8.067 -8.372 -2.141 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.800 -9.679 0.019 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.054 -9.729 0.158 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.881 -10.794 -2.043 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.617 -10.681 -2.256 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.548 -12.935 -1.926 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.392 -14.030 -0.827 1.00 19.49 H new ATOM 37 N ILE A 3 6.991 -7.244 0.006 1.00 5.87 N ATOM 38 CA ILE A 3 6.418 -6.639 1.153 1.00 5.07 C ATOM 39 C ILE A 3 5.272 -7.459 1.514 1.00 4.01 C ATOM 40 O ILE A 3 4.740 -8.205 0.670 1.00 4.61 O ATOM 41 CB ILE A 3 5.931 -5.206 0.893 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.188 -5.011 -0.464 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.219 -4.278 0.986 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.644 -3.593 -0.705 1.00 10.83 C ATOM 0 H ILE A 3 6.285 -7.691 -0.578 1.00 5.87 H new ATOM 0 HA ILE A 3 7.172 -6.577 1.938 1.00 5.07 H new ATOM 0 HB ILE A 3 5.178 -4.946 1.637 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.870 -5.266 -1.275 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.358 -5.716 -0.512 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.934 -3.241 0.809 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.662 -4.368 1.978 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.946 -4.588 0.235 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.144 -3.555 -1.673 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.933 -3.338 0.081 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.469 -2.880 -0.694 1.00 10.83 H new ATOM 56 N PHE A 4 4.783 -7.323 2.758 1.00 4.55 N ATOM 57 CA PHE A 4 3.546 -7.943 3.258 1.00 4.68 C ATOM 58 C PHE A 4 2.566 -6.818 3.572 1.00 5.30 C ATOM 59 O PHE A 4 2.930 -5.765 4.092 1.00 5.58 O ATOM 60 CB PHE A 4 3.848 -8.722 4.596 1.00 4.83 C ATOM 61 CG PHE A 4 4.781 -9.871 4.251 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.641 -10.736 3.137 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.868 -10.040 5.153 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.580 -11.809 2.983 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.850 -10.983 4.842 1.00 10.61 C ATOM 66 CZ PHE A 4 6.708 -11.944 3.803 1.00 8.90 C ATOM 0 H PHE A 4 5.254 -6.760 3.466 1.00 4.55 H new ATOM 0 HA PHE A 4 3.142 -8.633 2.517 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.308 -8.061 5.330 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.925 -9.096 5.039 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.846 -10.590 2.421 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.932 -9.453 6.057 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.411 -12.540 2.206 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.763 -10.983 5.419 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.430 -12.734 3.654 1.00 8.90 H new ATOM 76 N VAL A 5 1.267 -6.931 3.272 1.00 4.44 N ATOM 77 CA VAL A 5 0.201 -6.027 3.545 1.00 3.87 C ATOM 78 C VAL A 5 -0.878 -6.603 4.447 1.00 4.93 C ATOM 79 O VAL A 5 -1.213 -7.759 4.151 1.00 6.84 O ATOM 80 CB VAL A 5 -0.523 -5.593 2.277 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.626 -4.600 2.595 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.526 -5.057 1.264 1.00 9.13 C ATOM 0 H VAL A 5 0.926 -7.756 2.779 1.00 4.44 H new ATOM 0 HA VAL A 5 0.701 -5.193 4.038 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.026 -6.442 1.814 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.128 -4.306 1.673 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.348 -5.061 3.269 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.196 -3.719 3.071 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.022 -4.742 0.350 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.051 -4.207 1.700 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.242 -5.845 1.030 1.00 9.13 H new ATOM 92 N LYS A 6 -1.376 -5.863 5.482 1.00 6.04 N ATOM 93 CA LYS A 6 -2.466 -6.356 6.315 1.00 6.12 C ATOM 94 C LYS A 6 -3.778 -5.548 6.028 1.00 6.57 C ATOM 95 O LYS A 6 -3.972 -4.432 6.405 1.00 5.76 O ATOM 96 CB LYS A 6 -2.232 -6.133 7.853 1.00 7.45 C ATOM 97 CG LYS A 6 -0.925 -6.796 8.259 1.00 11.12 C ATOM 98 CD LYS A 6 -0.906 -8.362 8.171 1.00 14.54 C ATOM 99 CE LYS A 6 0.426 -8.918 8.554 1.00 18.84 C ATOM 100 NZ LYS A 6 0.305 -10.318 8.885 1.00 20.55 N ATOM 0 H LYS A 6 -1.032 -4.938 5.740 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.529 -7.418 6.076 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.198 -5.067 8.077 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.060 -6.553 8.424 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.128 -6.404 7.627 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.693 -6.504 9.283 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.674 -8.773 8.826 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.152 -8.673 7.156 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.131 -8.791 7.733 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.826 -8.369 9.406 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.252 -10.742 8.951 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.184 -10.418 9.798 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.241 -10.804 8.145 1.00 20.55 H new ATOM 114 N THR A 7 -4.798 -6.229 5.435 1.00 7.41 N ATOM 115 CA THR A 7 -6.083 -5.642 5.157 1.00 7.48 C ATOM 116 C THR A 7 -7.036 -5.549 6.305 1.00 8.75 C ATOM 117 O THR A 7 -6.701 -6.100 7.378 1.00 8.58 O ATOM 118 CB THR A 7 -6.723 -6.312 3.930 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.411 -7.531 4.266 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.758 -6.685 2.766 1.00 9.17 C ATOM 0 H THR A 7 -4.723 -7.204 5.146 1.00 7.41 H new ATOM 0 HA THR A 7 -5.867 -4.596 4.939 1.00 7.48 H new ATOM 0 HB THR A 7 -7.397 -5.527 3.587 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.803 -7.920 3.456 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.324 -7.150 1.959 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.270 -5.784 2.395 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.003 -7.383 3.129 1.00 9.17 H new ATOM 128 N LEU A 8 -8.128 -4.771 6.198 1.00 9.84 N ATOM 129 CA LEU A 8 -9.047 -4.630 7.267 1.00 14.15 C ATOM 130 C LEU A 8 -9.677 -5.913 7.780 1.00 17.37 C ATOM 131 O LEU A 8 -9.871 -6.021 8.997 1.00 17.01 O ATOM 132 CB LEU A 8 -10.195 -3.640 7.003 1.00 16.63 C ATOM 133 CG LEU A 8 -9.703 -2.184 6.947 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.879 -1.188 6.835 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.783 -1.736 8.042 1.00 18.59 C ATOM 0 H LEU A 8 -8.369 -4.239 5.362 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.379 -4.238 8.034 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.682 -3.894 6.062 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.945 -3.739 7.787 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.095 -2.180 6.043 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.491 -0.170 6.798 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.445 -1.394 5.927 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.531 -1.296 7.701 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.511 -0.692 7.885 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.285 -1.839 9.004 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.883 -2.350 8.035 1.00 18.59 H new ATOM 147 N THR A 9 -9.893 -6.938 6.944 1.00 18.33 N ATOM 148 CA THR A 9 -10.403 -8.309 7.159 1.00 19.24 C ATOM 149 C THR A 9 -9.320 -9.085 7.847 1.00 19.48 C ATOM 150 O THR A 9 -9.501 -10.035 8.614 1.00 23.14 O ATOM 151 CB THR A 9 -10.899 -8.989 5.956 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.791 -9.226 5.127 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.888 -8.129 5.193 1.00 19.70 C ATOM 0 H THR A 9 -9.684 -6.808 5.954 1.00 18.33 H new ATOM 0 HA THR A 9 -11.297 -8.244 7.779 1.00 19.24 H new ATOM 0 HB THR A 9 -11.406 -9.908 6.249 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.183 -8.459 5.167 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.232 -8.667 4.310 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.740 -7.900 5.833 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.404 -7.202 4.887 1.00 19.70 H new ATOM 161 N GLY A 10 -8.021 -8.636 7.716 1.00 19.43 N ATOM 162 CA GLY A 10 -6.839 -9.199 8.309 1.00 18.74 C ATOM 163 C GLY A 10 -6.113 -10.112 7.384 1.00 17.62 C ATOM 164 O GLY A 10 -5.116 -10.757 7.728 1.00 19.74 O ATOM 0 H GLY A 10 -7.804 -7.817 7.149 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.172 -8.393 8.616 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.115 -9.746 9.211 1.00 18.74 H new ATOM 168 N LYS A 11 -6.580 -10.190 6.115 1.00 13.56 N ATOM 169 CA LYS A 11 -5.885 -10.993 5.160 1.00 11.91 C ATOM 170 C LYS A 11 -4.467 -10.384 4.836 1.00 10.18 C ATOM 171 O LYS A 11 -4.257 -9.199 4.802 1.00 9.10 O ATOM 172 CB LYS A 11 -6.748 -11.097 3.850 1.00 13.43 C ATOM 173 CG LYS A 11 -6.153 -11.922 2.753 1.00 16.69 C ATOM 174 CD LYS A 11 -7.107 -11.904 1.591 1.00 17.92 C ATOM 175 CE LYS A 11 -6.536 -12.749 0.364 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.462 -12.872 -0.727 1.00 21.93 N ATOM 0 H LYS A 11 -7.411 -9.712 5.765 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.731 -11.988 5.577 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.721 -11.515 4.109 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.924 -10.091 3.470 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.184 -11.521 2.457 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.985 -12.944 3.093 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.069 -12.312 1.901 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.283 -10.875 1.277 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.622 -12.278 0.003 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.265 -13.745 0.714 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.952 -13.168 -1.584 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.184 -13.582 -0.491 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.921 -11.955 -0.898 1.00 21.93 H new ATOM 190 N THR A 12 -3.451 -11.324 4.646 1.00 9.63 N ATOM 191 CA THR A 12 -2.064 -10.961 4.383 1.00 9.85 C ATOM 192 C THR A 12 -1.718 -11.037 2.943 1.00 11.66 C ATOM 193 O THR A 12 -1.655 -12.149 2.428 1.00 12.33 O ATOM 194 CB THR A 12 -0.982 -11.664 5.260 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.239 -11.350 6.651 1.00 10.91 O ATOM 196 CG2 THR A 12 0.370 -11.064 5.001 1.00 9.63 C ATOM 0 H THR A 12 -3.611 -12.331 4.678 1.00 9.63 H new ATOM 0 HA THR A 12 -2.030 -9.919 4.700 1.00 9.85 H new ATOM 0 HB THR A 12 -1.011 -12.730 5.035 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.243 -12.176 7.178 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.115 -11.564 5.620 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.628 -11.189 3.950 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.350 -10.002 5.245 1.00 9.63 H new ATOM 204 N ILE A 13 -1.385 -9.964 2.225 1.00 10.42 N ATOM 205 CA ILE A 13 -1.007 -10.015 0.853 1.00 11.84 C ATOM 206 C ILE A 13 0.527 -9.986 0.751 1.00 10.55 C ATOM 207 O ILE A 13 1.152 -9.015 1.223 1.00 11.92 O ATOM 208 CB ILE A 13 -1.614 -8.897 0.018 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.044 -8.448 0.400 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.419 -9.329 -1.504 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.554 -7.307 -0.452 1.00 16.46 C ATOM 0 H ILE A 13 -1.377 -9.020 2.612 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.400 -10.945 0.442 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.088 -7.965 0.225 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.722 -9.296 0.305 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.056 -8.146 1.447 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.837 -8.562 -2.156 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.356 -9.446 -1.716 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.930 -10.275 -1.682 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.562 -7.038 -0.135 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.896 -6.446 -0.338 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.573 -7.614 -1.498 1.00 16.46 H new ATOM 223 N THR A 14 1.159 -10.938 0.044 1.00 9.39 N ATOM 224 CA THR A 14 2.552 -10.809 -0.415 1.00 9.63 C ATOM 225 C THR A 14 2.422 -10.017 -1.677 1.00 11.20 C ATOM 226 O THR A 14 1.633 -10.428 -2.591 1.00 11.63 O ATOM 227 CB THR A 14 3.421 -12.159 -0.679 1.00 10.38 C ATOM 228 OG1 THR A 14 3.182 -13.069 0.379 1.00 16.30 O ATOM 229 CG2 THR A 14 4.891 -11.872 -0.713 1.00 11.66 C ATOM 0 H THR A 14 0.719 -11.818 -0.225 1.00 9.39 H new ATOM 0 HA THR A 14 3.131 -10.359 0.391 1.00 9.63 H new ATOM 0 HB THR A 14 3.119 -12.570 -1.642 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.700 -13.888 0.230 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.438 -12.798 -0.891 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.105 -11.164 -1.513 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.201 -11.445 0.241 1.00 11.66 H new ATOM 237 N LEU A 15 3.187 -8.899 -1.776 1.00 8.29 N ATOM 238 CA LEU A 15 3.280 -8.212 -3.059 1.00 9.03 C ATOM 239 C LEU A 15 4.700 -8.193 -3.538 1.00 8.59 C ATOM 240 O LEU A 15 5.714 -8.119 -2.842 1.00 7.79 O ATOM 241 CB LEU A 15 2.812 -6.742 -2.965 1.00 11.08 C ATOM 242 CG LEU A 15 1.371 -6.645 -2.667 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.978 -5.189 -2.289 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.584 -7.116 -3.906 1.00 15.27 C ATOM 0 H LEU A 15 3.720 -8.481 -1.013 1.00 8.29 H new ATOM 0 HA LEU A 15 2.636 -8.758 -3.748 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.379 -6.229 -2.189 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.024 -6.232 -3.905 1.00 11.08 H new ATOM 0 HG LEU A 15 1.131 -7.278 -1.813 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.090 -5.144 -2.074 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.539 -4.878 -1.408 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.209 -4.522 -3.120 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.485 -7.051 -3.704 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.832 -6.482 -4.757 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.848 -8.149 -4.134 1.00 15.27 H new ATOM 256 N GLU A 16 4.844 -8.309 -4.853 1.00 11.04 N ATOM 257 CA GLU A 16 6.134 -8.218 -5.535 1.00 11.50 C ATOM 258 C GLU A 16 6.350 -6.826 -6.084 1.00 10.13 C ATOM 259 O GLU A 16 5.868 -6.462 -7.122 1.00 9.83 O ATOM 260 CB GLU A 16 6.225 -9.107 -6.795 1.00 17.22 C ATOM 261 CG GLU A 16 6.170 -10.602 -6.474 1.00 23.33 C ATOM 262 CD GLU A 16 6.166 -11.441 -7.749 1.00 26.99 C ATOM 263 OE1 GLU A 16 5.139 -11.406 -8.493 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.148 -12.193 -8.049 1.00 28.90 O ATOM 0 H GLU A 16 4.060 -8.471 -5.485 1.00 11.04 H new ATOM 0 HA GLU A 16 6.858 -8.519 -4.778 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.408 -8.855 -7.471 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.154 -8.888 -7.322 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.026 -10.876 -5.858 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.275 -10.819 -5.890 1.00 23.33 H new ATOM 271 N VAL A 17 7.206 -6.047 -5.419 1.00 8.99 N ATOM 272 CA VAL A 17 7.421 -4.676 -5.678 1.00 8.85 C ATOM 273 C VAL A 17 8.874 -4.437 -5.999 1.00 8.04 C ATOM 274 O VAL A 17 9.673 -5.325 -5.979 1.00 8.99 O ATOM 275 CB VAL A 17 7.124 -3.797 -4.421 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.614 -3.763 -4.179 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.916 -4.234 -3.180 1.00 10.54 C ATOM 0 H VAL A 17 7.781 -6.400 -4.654 1.00 8.99 H new ATOM 0 HA VAL A 17 6.760 -4.410 -6.503 1.00 8.85 H new ATOM 0 HB VAL A 17 7.470 -2.783 -4.620 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.400 -3.151 -3.303 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.115 -3.337 -5.050 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.249 -4.776 -4.012 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.666 -3.585 -2.341 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.662 -5.264 -2.930 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.984 -4.164 -3.387 1.00 10.54 H new ATOM 287 N GLU A 18 9.280 -3.205 -6.313 1.00 7.29 N ATOM 288 CA GLU A 18 10.592 -2.624 -6.486 1.00 7.08 C ATOM 289 C GLU A 18 10.593 -1.470 -5.444 1.00 6.45 C ATOM 290 O GLU A 18 9.551 -0.944 -5.078 1.00 5.28 O ATOM 291 CB GLU A 18 10.822 -2.079 -7.863 1.00 10.28 C ATOM 292 CG GLU A 18 10.604 -3.030 -9.043 1.00 12.65 C ATOM 293 CD GLU A 18 11.841 -3.896 -9.237 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.779 -3.234 -9.728 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.890 -5.108 -8.906 1.00 18.17 O ATOM 0 H GLU A 18 8.572 -2.489 -6.475 1.00 7.29 H new ATOM 0 HA GLU A 18 11.382 -3.362 -6.351 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.167 -1.219 -7.998 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.847 -1.710 -7.912 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.733 -3.659 -8.860 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.401 -2.460 -9.950 1.00 12.65 H new ATOM 302 N PRO A 19 11.730 -1.022 -4.955 1.00 7.24 N ATOM 303 CA PRO A 19 11.859 0.119 -4.030 1.00 7.07 C ATOM 304 C PRO A 19 11.394 1.362 -4.750 1.00 6.65 C ATOM 305 O PRO A 19 10.833 2.299 -4.207 1.00 6.37 O ATOM 306 CB PRO A 19 13.344 0.134 -3.596 1.00 7.61 C ATOM 307 CG PRO A 19 14.029 -0.739 -4.650 1.00 8.16 C ATOM 308 CD PRO A 19 12.929 -1.754 -4.999 1.00 7.49 C ATOM 0 HA PRO A 19 11.244 0.055 -3.132 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.750 1.146 -3.586 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.474 -0.271 -2.592 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.338 -0.159 -5.520 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.922 -1.226 -4.257 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.091 -2.187 -5.986 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.914 -2.579 -4.287 1.00 7.49 H new ATOM 316 N SER A 20 11.580 1.384 -6.027 1.00 6.80 N ATOM 317 CA SER A 20 11.288 2.495 -6.964 1.00 6.28 C ATOM 318 C SER A 20 9.816 2.521 -7.350 1.00 8.45 C ATOM 319 O SER A 20 9.384 3.380 -8.086 1.00 7.26 O ATOM 320 CB SER A 20 12.123 2.338 -8.295 1.00 8.57 C ATOM 321 OG SER A 20 12.136 0.984 -8.739 1.00 11.13 O ATOM 0 H SER A 20 11.970 0.576 -6.513 1.00 6.80 H new ATOM 0 HA SER A 20 11.556 3.418 -6.449 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.698 2.974 -9.071 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.145 2.679 -8.129 1.00 8.57 H new ATOM 0 HG SER A 20 12.658 0.916 -9.565 1.00 11.13 H new ATOM 327 N ASP A 21 9.007 1.516 -6.921 1.00 7.50 N ATOM 328 CA ASP A 21 7.549 1.484 -7.059 1.00 7.70 C ATOM 329 C ASP A 21 6.807 2.570 -6.225 1.00 7.08 C ATOM 330 O ASP A 21 6.997 2.726 -5.002 1.00 8.11 O ATOM 331 CB ASP A 21 6.906 0.130 -6.730 1.00 11.00 C ATOM 332 CG ASP A 21 7.013 -0.860 -7.792 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.456 -0.534 -8.954 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.707 -2.043 -7.504 1.00 14.36 O ATOM 0 H ASP A 21 9.376 0.686 -6.457 1.00 7.50 H new ATOM 0 HA ASP A 21 7.423 1.689 -8.122 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.371 -0.270 -5.829 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.852 0.288 -6.502 1.00 11.00 H new ATOM 339 N THR A 22 5.949 3.314 -6.941 1.00 5.37 N ATOM 340 CA THR A 22 5.119 4.265 -6.319 1.00 6.01 C ATOM 341 C THR A 22 4.014 3.640 -5.543 1.00 8.01 C ATOM 342 O THR A 22 3.573 2.568 -5.901 1.00 8.11 O ATOM 343 CB THR A 22 4.443 5.290 -7.248 1.00 8.92 C ATOM 344 OG1 THR A 22 3.701 4.715 -8.265 1.00 10.22 O ATOM 345 CG2 THR A 22 5.596 6.104 -7.910 1.00 9.65 C ATOM 0 H THR A 22 5.838 3.248 -7.953 1.00 5.37 H new ATOM 0 HA THR A 22 5.836 4.786 -5.684 1.00 6.01 H new ATOM 0 HB THR A 22 3.754 5.889 -6.652 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.299 5.419 -8.815 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.174 6.850 -8.583 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.180 6.602 -7.136 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.240 5.429 -8.474 1.00 9.65 H new ATOM 353 N ILE A 23 3.503 4.317 -4.535 1.00 8.32 N ATOM 354 CA ILE A 23 2.386 3.817 -3.756 1.00 9.92 C ATOM 355 C ILE A 23 1.144 3.582 -4.617 1.00 10.01 C ATOM 356 O ILE A 23 0.527 2.515 -4.542 1.00 8.71 O ATOM 357 CB ILE A 23 2.152 4.678 -2.579 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.332 4.929 -1.607 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.909 4.228 -1.749 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.689 3.638 -0.749 1.00 12.30 C ATOM 0 H ILE A 23 3.849 5.228 -4.232 1.00 8.32 H new ATOM 0 HA ILE A 23 2.642 2.830 -3.370 1.00 9.92 H new ATOM 0 HB ILE A 23 1.985 5.637 -3.069 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.209 5.239 -2.175 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.080 5.750 -0.936 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.781 4.894 -0.895 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.019 4.268 -2.377 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.058 3.208 -1.395 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.522 3.863 -0.083 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.822 3.342 -0.159 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.968 2.823 -1.417 1.00 12.30 H new ATOM 372 N GLU A 24 0.755 4.461 -5.570 1.00 9.54 N ATOM 373 CA GLU A 24 -0.209 4.186 -6.646 1.00 11.81 C ATOM 374 C GLU A 24 -0.012 2.902 -7.468 1.00 11.14 C ATOM 375 O GLU A 24 -1.031 2.305 -7.800 1.00 10.62 O ATOM 376 CB GLU A 24 -0.254 5.433 -7.603 1.00 19.24 C ATOM 377 CG GLU A 24 -1.417 5.404 -8.604 1.00 27.76 C ATOM 378 CD GLU A 24 -1.486 6.712 -9.347 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.568 7.043 -10.124 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.457 7.506 -9.131 1.00 36.51 O ATOM 0 H GLU A 24 1.120 5.413 -5.607 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.153 4.005 -6.132 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.328 6.339 -7.001 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.685 5.491 -8.153 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.282 4.583 -9.308 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.355 5.224 -8.080 1.00 27.76 H new ATOM 387 N ASN A 25 1.219 2.445 -7.704 1.00 9.43 N ATOM 388 CA ASN A 25 1.491 1.147 -8.277 1.00 10.96 C ATOM 389 C ASN A 25 1.230 0.034 -7.304 1.00 9.68 C ATOM 390 O ASN A 25 0.622 -0.972 -7.704 1.00 9.33 O ATOM 391 CB ASN A 25 2.970 1.019 -8.778 1.00 16.78 C ATOM 392 CG ASN A 25 2.959 1.468 -10.211 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.851 0.599 -11.068 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.978 2.771 -10.503 1.00 24.70 N ATOM 0 H ASN A 25 2.060 2.982 -7.496 1.00 9.43 H new ATOM 0 HA ASN A 25 0.811 1.059 -9.124 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.640 1.637 -8.180 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.324 -0.009 -8.693 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.901 3.077 -11.473 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.070 3.460 -9.756 1.00 24.70 H new ATOM 401 N VAL A 26 1.568 0.184 -5.978 1.00 6.52 N ATOM 402 CA VAL A 26 1.209 -0.756 -4.922 1.00 5.53 C ATOM 403 C VAL A 26 -0.296 -0.900 -4.823 1.00 4.42 C ATOM 404 O VAL A 26 -0.826 -2.004 -4.880 1.00 3.40 O ATOM 405 CB VAL A 26 1.837 -0.445 -3.565 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.573 -1.528 -2.556 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.341 -0.153 -3.786 1.00 8.12 C ATOM 0 H VAL A 26 2.105 0.981 -5.637 1.00 6.52 H new ATOM 0 HA VAL A 26 1.637 -1.715 -5.215 1.00 5.53 H new ATOM 0 HB VAL A 26 1.373 0.441 -3.131 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.039 -1.263 -1.607 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.498 -1.639 -2.414 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.991 -2.469 -2.914 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.812 0.072 -2.829 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.820 -1.026 -4.230 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.451 0.701 -4.455 1.00 8.12 H new ATOM 417 N LYS A 27 -1.040 0.188 -4.924 1.00 2.64 N ATOM 418 CA LYS A 27 -2.515 0.203 -5.043 1.00 4.14 C ATOM 419 C LYS A 27 -3.060 -0.655 -6.168 1.00 5.58 C ATOM 420 O LYS A 27 -4.020 -1.445 -5.955 1.00 4.11 O ATOM 421 CB LYS A 27 -3.193 1.563 -5.108 1.00 3.97 C ATOM 422 CG LYS A 27 -2.760 2.532 -3.990 1.00 7.45 C ATOM 423 CD LYS A 27 -3.607 3.814 -4.050 1.00 9.02 C ATOM 424 CE LYS A 27 -3.287 4.818 -2.948 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.267 5.862 -2.864 1.00 15.47 N ATOM 0 H LYS A 27 -0.635 1.124 -4.927 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.777 -0.232 -4.079 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.978 2.019 -6.074 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.273 1.423 -5.055 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.877 2.054 -3.017 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.704 2.778 -4.099 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.457 4.292 -5.018 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.661 3.544 -3.988 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.229 4.299 -1.991 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.306 5.257 -3.132 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.788 6.783 -2.805 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.871 5.840 -3.710 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.853 5.721 -2.016 1.00 15.47 H new ATOM 439 N ALA A 28 -2.471 -0.592 -7.437 1.00 6.61 N ATOM 440 CA ALA A 28 -2.821 -1.346 -8.571 1.00 7.74 C ATOM 441 C ALA A 28 -2.647 -2.880 -8.402 1.00 9.17 C ATOM 442 O ALA A 28 -3.439 -3.675 -8.830 1.00 11.45 O ATOM 443 CB ALA A 28 -1.949 -0.859 -9.751 1.00 7.68 C ATOM 0 H ALA A 28 -1.700 0.048 -7.630 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.885 -1.189 -8.746 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.199 -1.427 -10.647 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.136 0.200 -9.929 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.896 -1.006 -9.510 1.00 7.68 H new ATOM 449 N LYS A 29 -1.565 -3.309 -7.735 1.00 8.96 N ATOM 450 CA LYS A 29 -1.212 -4.623 -7.322 1.00 7.90 C ATOM 451 C LYS A 29 -2.206 -5.202 -6.366 1.00 6.92 C ATOM 452 O LYS A 29 -2.482 -6.360 -6.383 1.00 6.87 O ATOM 453 CB LYS A 29 0.150 -4.626 -6.659 1.00 10.28 C ATOM 454 CG LYS A 29 1.369 -4.423 -7.621 1.00 14.94 C ATOM 455 CD LYS A 29 2.741 -4.696 -6.937 1.00 19.69 C ATOM 456 CE LYS A 29 3.831 -4.056 -7.653 1.00 22.63 C ATOM 457 NZ LYS A 29 3.953 -4.351 -9.120 1.00 24.98 N ATOM 0 H LYS A 29 -0.848 -2.641 -7.452 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.196 -5.236 -8.223 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.169 -3.839 -5.905 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.277 -5.573 -6.134 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.260 -5.085 -8.480 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.357 -3.402 -8.002 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.715 -4.331 -5.910 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.917 -5.771 -6.889 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.728 -2.978 -7.532 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.766 -4.342 -7.172 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.823 -3.918 -9.490 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.989 -5.380 -9.265 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.131 -3.959 -9.622 1.00 24.98 H new ATOM 471 N ILE A 30 -2.793 -4.300 -5.477 1.00 4.57 N ATOM 472 CA ILE A 30 -3.859 -4.669 -4.597 1.00 5.58 C ATOM 473 C ILE A 30 -5.251 -4.688 -5.308 1.00 7.26 C ATOM 474 O ILE A 30 -6.033 -5.590 -5.108 1.00 9.46 O ATOM 475 CB ILE A 30 -3.946 -3.733 -3.395 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.691 -3.938 -2.512 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.164 -3.972 -2.508 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.427 -2.916 -1.406 1.00 2.00 C ATOM 0 H ILE A 30 -2.506 -3.325 -5.394 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.621 -5.680 -4.265 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.023 -2.725 -3.802 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.763 -4.922 -2.049 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.820 -3.957 -3.166 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.153 -3.267 -1.677 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.073 -3.830 -3.092 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.138 -4.990 -2.120 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.517 -3.186 -0.871 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.309 -1.926 -1.846 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.267 -2.906 -0.712 1.00 2.00 H new ATOM 490 N GLN A 31 -5.491 -3.782 -6.282 1.00 7.06 N ATOM 491 CA GLN A 31 -6.643 -3.770 -7.212 1.00 8.67 C ATOM 492 C GLN A 31 -6.670 -5.086 -8.002 1.00 10.90 C ATOM 493 O GLN A 31 -7.762 -5.671 -8.152 1.00 9.63 O ATOM 494 CB GLN A 31 -6.697 -2.599 -8.221 1.00 9.12 C ATOM 495 CG GLN A 31 -8.001 -2.634 -9.023 1.00 10.76 C ATOM 496 CD GLN A 31 -8.138 -1.405 -9.946 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.119 -0.670 -9.766 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.251 -1.244 -10.909 1.00 14.76 N ATOM 0 H GLN A 31 -4.856 -3.001 -6.449 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.512 -3.640 -6.567 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.617 -1.651 -7.690 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.846 -2.657 -8.899 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.035 -3.544 -9.622 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.848 -2.671 -8.338 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.467 -1.891 -10.994 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.349 -0.472 -11.568 1.00 14.76 H new ATOM 507 N ASP A 32 -5.454 -5.565 -8.380 1.00 10.93 N ATOM 508 CA ASP A 32 -5.387 -6.879 -9.024 1.00 14.01 C ATOM 509 C ASP A 32 -5.632 -8.086 -8.094 1.00 14.04 C ATOM 510 O ASP A 32 -6.283 -9.014 -8.567 1.00 13.39 O ATOM 511 CB ASP A 32 -3.977 -7.115 -9.691 1.00 18.01 C ATOM 512 CG ASP A 32 -3.897 -6.339 -11.011 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.906 -6.005 -11.714 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.740 -5.959 -11.316 1.00 26.29 O ATOM 0 H ASP A 32 -4.563 -5.085 -8.255 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.197 -6.838 -9.752 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.185 -6.789 -9.017 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.823 -8.179 -9.873 1.00 18.01 H new ATOM 519 N LYS A 33 -5.183 -8.095 -6.855 1.00 14.22 N ATOM 520 CA LYS A 33 -5.412 -9.151 -5.876 1.00 14.00 C ATOM 521 C LYS A 33 -6.818 -9.254 -5.229 1.00 12.37 C ATOM 522 O LYS A 33 -7.439 -10.306 -4.948 1.00 12.17 O ATOM 523 CB LYS A 33 -4.383 -9.057 -4.736 1.00 18.62 C ATOM 524 CG LYS A 33 -2.912 -9.275 -5.125 1.00 24.00 C ATOM 525 CD LYS A 33 -2.513 -10.694 -5.334 1.00 27.61 C ATOM 526 CE LYS A 33 -0.979 -10.887 -5.146 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.584 -12.279 -5.418 1.00 30.06 N ATOM 0 H LYS A 33 -4.621 -7.331 -6.480 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.311 -10.050 -6.484 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.473 -8.073 -4.275 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.648 -9.791 -3.975 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.709 -8.719 -6.040 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.280 -8.848 -4.346 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.050 -11.332 -4.632 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.801 -11.011 -6.337 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.440 -10.215 -5.814 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.697 -10.618 -4.128 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.443 -12.381 -5.286 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.082 -12.915 -4.764 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.833 -12.525 -6.397 1.00 30.06 H new ATOM 541 N GLU A 34 -7.432 -8.018 -5.045 1.00 10.11 N ATOM 542 CA GLU A 34 -8.423 -7.841 -3.949 1.00 10.07 C ATOM 543 C GLU A 34 -9.556 -6.967 -4.496 1.00 9.32 C ATOM 544 O GLU A 34 -10.531 -6.700 -3.794 1.00 11.61 O ATOM 545 CB GLU A 34 -7.799 -7.141 -2.697 1.00 14.77 C ATOM 546 CG GLU A 34 -7.088 -8.201 -1.709 1.00 18.75 C ATOM 547 CD GLU A 34 -8.035 -9.245 -1.153 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.987 -8.877 -0.488 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.793 -10.418 -1.506 1.00 21.95 O ATOM 0 H GLU A 34 -7.259 -7.190 -5.614 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.777 -8.821 -3.629 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.068 -6.400 -3.021 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.578 -6.605 -2.155 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.284 -8.703 -2.247 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.629 -7.661 -0.881 1.00 18.75 H new ATOM 556 N GLY A 35 -9.446 -6.404 -5.666 1.00 7.22 N ATOM 557 CA GLY A 35 -10.587 -5.724 -6.406 1.00 6.29 C ATOM 558 C GLY A 35 -10.992 -4.356 -5.960 1.00 6.93 C ATOM 559 O GLY A 35 -11.966 -3.813 -6.470 1.00 7.41 O ATOM 0 H GLY A 35 -8.566 -6.379 -6.181 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.314 -5.665 -7.460 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.462 -6.371 -6.339 1.00 6.29 H new ATOM 563 N ILE A 36 -10.291 -3.793 -4.952 1.00 5.86 N ATOM 564 CA ILE A 36 -10.480 -2.495 -4.405 1.00 6.07 C ATOM 565 C ILE A 36 -9.855 -1.419 -5.376 1.00 6.36 C ATOM 566 O ILE A 36 -8.642 -1.398 -5.615 1.00 6.18 O ATOM 567 CB ILE A 36 -9.855 -2.357 -3.032 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.116 -3.627 -2.101 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.334 -0.974 -2.436 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.368 -3.559 -0.697 1.00 9.49 C ATOM 0 H ILE A 36 -9.533 -4.295 -4.489 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.553 -2.335 -4.298 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.767 -2.343 -3.099 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.188 -3.724 -1.927 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.796 -4.525 -2.629 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.904 -0.837 -1.444 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.008 -0.164 -3.088 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.422 -0.966 -2.364 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.594 -4.456 -0.121 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.292 -3.494 -0.861 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.705 -2.680 -0.147 1.00 9.49 H new ATOM 582 N PRO A 37 -10.657 -0.448 -5.853 1.00 8.65 N ATOM 583 CA PRO A 37 -10.147 0.743 -6.611 1.00 9.18 C ATOM 584 C PRO A 37 -9.054 1.533 -5.894 1.00 9.85 C ATOM 585 O PRO A 37 -9.159 1.692 -4.678 1.00 8.51 O ATOM 586 CB PRO A 37 -11.431 1.568 -6.805 1.00 11.42 C ATOM 587 CG PRO A 37 -12.539 0.604 -6.969 1.00 9.27 C ATOM 588 CD PRO A 37 -12.137 -0.509 -5.962 1.00 8.33 C ATOM 0 HA PRO A 37 -9.646 0.459 -7.537 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.607 2.216 -5.947 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.347 2.213 -7.680 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.506 1.046 -6.727 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.607 0.228 -7.990 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.607 -0.346 -4.992 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.462 -1.488 -6.313 1.00 8.33 H new ATOM 596 N PRO A 38 -7.981 2.069 -6.537 1.00 8.71 N ATOM 597 CA PRO A 38 -6.956 2.865 -5.877 1.00 9.08 C ATOM 598 C PRO A 38 -7.441 4.126 -5.108 1.00 9.28 C ATOM 599 O PRO A 38 -6.805 4.554 -4.116 1.00 6.50 O ATOM 600 CB PRO A 38 -5.966 3.225 -6.932 1.00 10.31 C ATOM 601 CG PRO A 38 -6.043 1.995 -7.849 1.00 10.81 C ATOM 602 CD PRO A 38 -7.468 1.597 -7.852 1.00 12.00 C ATOM 0 HA PRO A 38 -6.533 2.257 -5.077 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.236 4.144 -7.453 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.966 3.372 -6.524 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.699 2.233 -8.856 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.410 1.188 -7.479 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.008 2.057 -8.679 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.580 0.518 -7.959 1.00 12.00 H new ATOM 610 N ASP A 39 -8.488 4.822 -5.566 1.00 11.20 N ATOM 611 CA ASP A 39 -9.026 6.019 -4.893 1.00 14.96 C ATOM 612 C ASP A 39 -9.562 5.628 -3.481 1.00 13.99 C ATOM 613 O ASP A 39 -9.744 6.458 -2.579 1.00 13.75 O ATOM 614 CB ASP A 39 -10.258 6.526 -5.735 1.00 24.16 C ATOM 615 CG ASP A 39 -9.763 7.282 -6.923 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.050 8.313 -6.649 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.984 6.879 -8.066 1.00 35.55 O ATOM 0 H ASP A 39 -8.991 4.573 -6.418 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.248 6.777 -4.805 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.868 5.681 -6.055 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.895 7.164 -5.122 1.00 24.16 H new ATOM 622 N GLN A 40 -9.813 4.304 -3.246 1.00 11.60 N ATOM 623 CA GLN A 40 -10.563 3.769 -2.078 1.00 10.76 C ATOM 624 C GLN A 40 -9.515 3.249 -1.089 1.00 8.01 C ATOM 625 O GLN A 40 -9.889 2.744 0.008 1.00 8.96 O ATOM 626 CB GLN A 40 -11.515 2.618 -2.447 1.00 11.14 C ATOM 627 CG GLN A 40 -12.587 3.109 -3.461 1.00 14.85 C ATOM 628 CD GLN A 40 -13.651 2.099 -3.762 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.917 1.079 -3.112 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.524 2.500 -4.730 1.00 18.16 N ATOM 0 H GLN A 40 -9.492 3.570 -3.878 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.184 4.563 -1.664 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.949 1.792 -2.877 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.001 2.237 -1.549 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.057 4.010 -3.068 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.092 3.387 -4.391 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.327 3.337 -5.279 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.373 1.963 -4.905 1.00 18.16 H new ATOM 639 N GLN A 41 -8.228 3.281 -1.441 1.00 6.52 N ATOM 640 CA GLN A 41 -7.145 2.623 -0.622 1.00 3.87 C ATOM 641 C GLN A 41 -6.318 3.686 -0.002 1.00 4.79 C ATOM 642 O GLN A 41 -5.922 4.648 -0.708 1.00 6.34 O ATOM 643 CB GLN A 41 -6.180 1.796 -1.505 1.00 4.20 C ATOM 644 CG GLN A 41 -6.841 0.534 -2.141 1.00 3.20 C ATOM 645 CD GLN A 41 -5.781 -0.296 -2.974 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.796 -0.710 -2.381 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.086 -0.594 -4.303 1.00 7.13 N ATOM 0 H GLN A 41 -7.886 3.748 -2.281 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.631 1.974 0.107 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.793 2.433 -2.300 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.327 1.484 -0.903 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.266 -0.093 -1.358 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.664 0.836 -2.789 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.929 -0.210 -4.731 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.466 -1.195 -4.846 1.00 7.13 H new ATOM 656 N ARG A 42 -6.149 3.537 1.323 1.00 5.73 N ATOM 657 CA ARG A 42 -5.152 4.372 1.981 1.00 6.97 C ATOM 658 C ARG A 42 -4.183 3.484 2.772 1.00 7.15 C ATOM 659 O ARG A 42 -4.592 2.601 3.571 1.00 7.33 O ATOM 660 CB ARG A 42 -5.774 5.502 2.885 1.00 13.23 C ATOM 661 CG ARG A 42 -4.857 6.781 3.037 1.00 21.27 C ATOM 662 CD ARG A 42 -5.624 7.962 3.698 1.00 26.14 C ATOM 663 NE ARG A 42 -4.866 9.188 3.718 1.00 32.26 N ATOM 664 CZ ARG A 42 -5.280 10.394 4.047 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.457 10.569 4.586 1.00 35.30 N ATOM 666 NH2 ARG A 42 -4.523 11.456 3.946 1.00 36.39 N ATOM 0 H ARG A 42 -6.658 2.887 1.922 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.606 4.903 1.201 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.733 5.803 2.464 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.975 5.092 3.875 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -3.983 6.533 3.638 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.493 7.087 2.056 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.557 8.128 3.160 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.889 7.689 4.719 1.00 26.14 H new ATOM 0 HE ARG A 42 -3.887 9.112 3.443 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.065 9.767 4.756 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.768 11.507 4.837 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -3.567 11.370 3.600 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -4.888 12.370 4.213 1.00 36.39 H new ATOM 680 N LEU A 43 -2.858 3.657 2.508 1.00 4.65 N ATOM 681 CA LEU A 43 -1.873 2.735 2.961 1.00 3.51 C ATOM 682 C LEU A 43 -1.049 3.334 4.082 1.00 5.56 C ATOM 683 O LEU A 43 -0.647 4.516 4.008 1.00 4.19 O ATOM 684 CB LEU A 43 -1.007 2.290 1.755 1.00 3.74 C ATOM 685 CG LEU A 43 -1.593 1.273 0.811 1.00 6.32 C ATOM 686 CD1 LEU A 43 -2.837 1.799 -0.084 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.475 0.822 -0.114 1.00 6.41 C ATOM 0 H LEU A 43 -2.483 4.444 1.978 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.354 1.850 3.378 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.755 3.179 1.177 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.072 1.887 2.144 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.002 0.469 1.423 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -3.187 0.994 -0.730 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -3.648 2.117 0.571 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -2.514 2.641 -0.697 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -0.860 0.082 -0.816 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.091 1.680 -0.665 1.00 6.41 H new ATOM 0 HD23 LEU A 43 0.328 0.380 0.475 1.00 6.41 H new ATOM 699 N ILE A 44 -0.821 2.561 5.127 1.00 4.58 N ATOM 700 CA ILE A 44 -0.154 2.934 6.371 1.00 5.55 C ATOM 701 C ILE A 44 1.115 2.139 6.593 1.00 5.46 C ATOM 702 O ILE A 44 1.078 0.908 6.461 1.00 6.04 O ATOM 703 CB ILE A 44 -1.137 2.674 7.533 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.547 3.252 7.362 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.508 2.952 8.859 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.627 4.762 7.575 1.00 13.90 C ATOM 0 H ILE A 44 -1.116 1.585 5.134 1.00 4.58 H new ATOM 0 HA ILE A 44 0.129 3.985 6.319 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.339 1.603 7.498 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.906 3.017 6.360 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.219 2.760 8.065 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.230 2.758 9.652 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.360 2.306 8.992 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.194 3.995 8.901 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.656 5.095 7.437 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.300 5.005 8.586 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.983 5.266 6.854 1.00 13.90 H new ATOM 718 N PHE A 45 2.202 2.920 6.852 1.00 6.75 N ATOM 719 CA PHE A 45 3.477 2.257 7.245 1.00 4.70 C ATOM 720 C PHE A 45 3.986 2.980 8.533 1.00 6.34 C ATOM 721 O PHE A 45 4.239 4.157 8.506 1.00 5.45 O ATOM 722 CB PHE A 45 4.593 2.267 6.152 1.00 5.51 C ATOM 723 CG PHE A 45 5.746 1.439 6.583 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.619 0.071 6.887 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.955 2.096 6.772 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.786 -0.560 7.431 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.011 1.440 7.330 1.00 6.64 C ATOM 728 CZ PHE A 45 7.951 0.125 7.637 1.00 6.84 C ATOM 0 H PHE A 45 2.226 3.938 6.801 1.00 6.75 H new ATOM 0 HA PHE A 45 3.264 1.200 7.406 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.194 1.885 5.212 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.921 3.290 5.967 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.699 -0.470 6.721 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.058 3.129 6.476 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.743 -1.609 7.686 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.921 1.986 7.532 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.816 -0.380 8.041 1.00 6.84 H new ATOM 738 N ALA A 46 4.049 2.210 9.650 1.00 6.53 N ATOM 739 CA ALA A 46 4.328 2.633 11.005 1.00 7.15 C ATOM 740 C ALA A 46 3.496 3.747 11.585 1.00 9.00 C ATOM 741 O ALA A 46 3.988 4.686 12.178 1.00 11.15 O ATOM 742 CB ALA A 46 5.794 2.877 11.103 1.00 8.99 C ATOM 0 H ALA A 46 3.891 1.204 9.599 1.00 6.53 H new ATOM 0 HA ALA A 46 4.009 1.817 11.654 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.042 3.199 12.114 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.332 1.958 10.872 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.082 3.654 10.394 1.00 8.99 H new ATOM 748 N GLY A 47 2.190 3.792 11.186 1.00 9.35 N ATOM 749 CA GLY A 47 1.188 4.794 11.468 1.00 11.68 C ATOM 750 C GLY A 47 1.322 5.928 10.518 1.00 11.14 C ATOM 751 O GLY A 47 0.312 6.622 10.452 1.00 13.93 O ATOM 0 H GLY A 47 1.805 3.046 10.607 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.193 4.357 11.388 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.298 5.152 12.492 1.00 11.68 H new ATOM 755 N LYS A 48 2.410 6.102 9.729 1.00 10.47 N ATOM 756 CA LYS A 48 2.430 7.101 8.675 1.00 8.82 C ATOM 757 C LYS A 48 1.650 6.806 7.440 1.00 7.68 C ATOM 758 O LYS A 48 1.707 5.781 6.773 1.00 6.47 O ATOM 759 CB LYS A 48 3.894 7.338 8.213 1.00 9.74 C ATOM 760 CG LYS A 48 4.180 8.658 7.444 1.00 14.14 C ATOM 761 CD LYS A 48 5.643 8.780 7.022 1.00 16.32 C ATOM 762 CE LYS A 48 6.523 9.046 8.265 1.00 20.04 C ATOM 763 NZ LYS A 48 7.736 9.673 7.844 1.00 23.92 N ATOM 0 H LYS A 48 3.270 5.560 9.815 1.00 10.47 H new ATOM 0 HA LYS A 48 1.954 7.962 9.145 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.537 7.311 9.093 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.189 6.503 7.577 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.544 8.705 6.560 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.914 9.507 8.074 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.966 7.865 6.525 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.758 9.591 6.303 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.994 9.684 8.973 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.741 8.111 8.781 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.337 9.857 8.672 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.239 9.047 7.183 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.516 10.572 7.369 1.00 23.92 H new ATOM 777 N GLN A 49 0.675 7.745 7.139 1.00 8.89 N ATOM 778 CA GLN A 49 -0.114 7.715 5.942 1.00 7.18 C ATOM 779 C GLN A 49 0.709 7.964 4.709 1.00 8.23 C ATOM 780 O GLN A 49 1.540 8.881 4.581 1.00 9.70 O ATOM 781 CB GLN A 49 -1.330 8.722 6.003 1.00 11.67 C ATOM 782 CG GLN A 49 -2.215 8.490 7.244 1.00 15.82 C ATOM 783 CD GLN A 49 -3.578 9.232 7.200 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.652 8.582 7.111 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.625 10.584 7.159 1.00 20.67 N ATOM 0 H GLN A 49 0.451 8.528 7.754 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.517 6.704 5.877 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.953 9.745 6.014 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.934 8.615 5.102 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.399 7.421 7.351 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.668 8.809 8.131 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.764 11.127 7.230 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.521 11.060 7.057 1.00 20.67 H new ATOM 794 N LEU A 50 0.506 7.082 3.684 1.00 6.51 N ATOM 795 CA LEU A 50 1.352 7.126 2.535 1.00 7.41 C ATOM 796 C LEU A 50 0.610 7.762 1.404 1.00 8.27 C ATOM 797 O LEU A 50 -0.540 7.433 1.095 1.00 8.34 O ATOM 798 CB LEU A 50 1.767 5.702 2.143 1.00 7.13 C ATOM 799 CG LEU A 50 2.489 4.869 3.294 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.802 3.433 2.816 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.711 5.468 4.016 1.00 9.11 C ATOM 0 H LEU A 50 -0.222 6.368 3.663 1.00 6.51 H new ATOM 0 HA LEU A 50 2.245 7.708 2.761 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.879 5.156 1.823 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.434 5.758 1.283 1.00 7.13 H new ATOM 0 HG LEU A 50 1.733 4.894 4.078 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.295 2.882 3.617 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.874 2.929 2.546 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.458 3.474 1.947 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.071 4.764 4.766 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.502 5.663 3.292 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.425 6.401 4.501 1.00 9.11 H new ATOM 813 N GLU A 51 1.308 8.633 0.694 1.00 9.43 N ATOM 814 CA GLU A 51 0.826 9.422 -0.447 1.00 11.90 C ATOM 815 C GLU A 51 1.020 8.877 -1.835 1.00 11.49 C ATOM 816 O GLU A 51 2.053 8.230 -2.044 1.00 9.88 O ATOM 817 CB GLU A 51 1.172 10.917 -0.310 1.00 16.56 C ATOM 818 CG GLU A 51 0.797 11.410 1.129 1.00 26.06 C ATOM 819 CD GLU A 51 1.203 12.886 1.317 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.711 13.797 0.617 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.808 13.166 2.445 1.00 32.13 O ATOM 0 H GLU A 51 2.287 8.826 0.905 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.254 9.310 -0.356 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.235 11.074 -0.494 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.630 11.497 -1.057 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.275 11.298 1.290 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.298 10.791 1.874 1.00 26.06 H new ATOM 828 N ASP A 52 0.032 9.034 -2.722 1.00 12.71 N ATOM 829 CA ASP A 52 -0.026 8.393 -4.026 1.00 16.56 C ATOM 830 C ASP A 52 1.208 8.316 -4.933 1.00 15.83 C ATOM 831 O ASP A 52 1.599 7.209 -5.399 1.00 17.21 O ATOM 832 CB ASP A 52 -1.209 8.941 -4.897 1.00 21.05 C ATOM 833 CG ASP A 52 -2.457 9.070 -4.057 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.159 8.090 -3.682 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.843 10.258 -3.772 1.00 28.37 O ATOM 0 H ASP A 52 -0.773 9.633 -2.539 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.151 7.367 -3.679 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.942 9.911 -5.317 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.394 8.270 -5.736 1.00 21.05 H new ATOM 840 N GLY A 53 1.856 9.472 -5.165 1.00 15.00 N ATOM 841 CA GLY A 53 2.975 9.559 -6.110 1.00 11.77 C ATOM 842 C GLY A 53 4.341 9.205 -5.519 1.00 11.10 C ATOM 843 O GLY A 53 5.253 9.042 -6.334 1.00 11.25 O ATOM 0 H GLY A 53 1.622 10.355 -4.710 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.775 8.895 -6.951 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.018 10.573 -6.508 1.00 11.77 H new ATOM 847 N ARG A 54 4.476 9.116 -4.238 1.00 8.53 N ATOM 848 CA ARG A 54 5.661 8.751 -3.532 1.00 9.05 C ATOM 849 C ARG A 54 6.019 7.332 -3.699 1.00 8.96 C ATOM 850 O ARG A 54 5.162 6.458 -3.910 1.00 11.60 O ATOM 851 CB ARG A 54 5.459 9.040 -2.049 1.00 7.97 C ATOM 852 CG ARG A 54 4.948 10.482 -1.735 1.00 9.62 C ATOM 853 CD ARG A 54 5.724 11.730 -2.108 1.00 12.20 C ATOM 854 NE ARG A 54 4.841 12.916 -1.902 1.00 18.23 N ATOM 855 CZ ARG A 54 4.546 13.535 -0.701 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.149 13.040 0.345 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.754 14.567 -0.535 1.00 23.38 N ATOM 0 H ARG A 54 3.699 9.312 -3.607 1.00 8.53 H new ATOM 0 HA ARG A 54 6.479 9.340 -3.947 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.748 8.320 -1.645 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.404 8.881 -1.529 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.969 10.573 -2.206 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.789 10.527 -0.658 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.622 11.815 -1.496 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.051 11.677 -3.147 1.00 12.20 H new ATOM 0 HE ARG A 54 4.409 13.312 -2.737 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.786 12.251 0.240 1.00 25.50 H new ATOM 0 HH12 ARG A 54 4.983 13.443 1.267 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.289 14.987 -1.339 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.603 14.949 0.399 1.00 23.38 H new ATOM 871 N THR A 55 7.288 6.995 -3.614 1.00 9.05 N ATOM 872 CA THR A 55 7.779 5.639 -3.621 1.00 9.03 C ATOM 873 C THR A 55 8.055 4.985 -2.303 1.00 8.15 C ATOM 874 O THR A 55 8.248 5.644 -1.281 1.00 5.91 O ATOM 875 CB THR A 55 9.074 5.540 -4.499 1.00 11.15 C ATOM 876 OG1 THR A 55 10.099 6.442 -4.081 1.00 11.95 O ATOM 877 CG2 THR A 55 8.680 5.840 -5.939 1.00 11.71 C ATOM 0 H THR A 55 8.033 7.687 -3.535 1.00 9.05 H new ATOM 0 HA THR A 55 6.935 5.084 -4.031 1.00 9.03 H new ATOM 0 HB THR A 55 9.487 4.537 -4.395 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.889 5.933 -3.803 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.561 5.779 -6.578 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.939 5.113 -6.273 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.257 6.843 -5.999 1.00 11.71 H new ATOM 885 N LEU A 56 8.139 3.614 -2.347 1.00 6.91 N ATOM 886 CA LEU A 56 8.671 2.760 -1.241 1.00 8.29 C ATOM 887 C LEU A 56 9.961 3.263 -0.671 1.00 8.05 C ATOM 888 O LEU A 56 10.117 3.547 0.534 1.00 10.17 O ATOM 889 CB LEU A 56 8.739 1.226 -1.617 1.00 6.60 C ATOM 890 CG LEU A 56 7.422 0.545 -2.001 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.722 -0.930 -2.401 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.347 0.634 -1.008 1.00 8.64 C ATOM 0 H LEU A 56 7.836 3.073 -3.157 1.00 6.91 H new ATOM 0 HA LEU A 56 7.936 2.845 -0.441 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.434 1.112 -2.448 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.164 0.688 -0.770 1.00 6.60 H new ATOM 0 HG LEU A 56 7.019 1.102 -2.847 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.793 -1.428 -2.677 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.408 -0.945 -3.248 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.176 -1.451 -1.558 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.462 0.119 -1.382 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.672 0.168 -0.078 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.107 1.681 -0.825 1.00 8.64 H new ATOM 904 N SER A 57 10.993 3.431 -1.539 1.00 8.92 N ATOM 905 CA SER A 57 12.249 4.093 -1.158 1.00 9.00 C ATOM 906 C SER A 57 12.228 5.445 -0.460 1.00 9.44 C ATOM 907 O SER A 57 12.987 5.631 0.412 1.00 10.91 O ATOM 908 CB SER A 57 13.072 4.276 -2.398 1.00 10.32 C ATOM 909 OG SER A 57 12.270 4.846 -3.478 1.00 13.59 O ATOM 0 H SER A 57 10.970 3.113 -2.508 1.00 8.92 H new ATOM 0 HA SER A 57 12.636 3.414 -0.398 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.918 4.929 -2.184 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.482 3.316 -2.712 1.00 10.32 H new ATOM 0 HG SER A 57 11.802 4.127 -3.952 1.00 13.59 H new ATOM 915 N ASP A 58 11.284 6.323 -0.769 1.00 9.11 N ATOM 916 CA ASP A 58 11.127 7.635 -0.132 1.00 7.91 C ATOM 917 C ASP A 58 10.812 7.478 1.366 1.00 9.12 C ATOM 918 O ASP A 58 11.095 8.313 2.248 1.00 8.61 O ATOM 919 CB ASP A 58 9.938 8.436 -0.852 1.00 8.41 C ATOM 920 CG ASP A 58 10.145 9.966 -0.670 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.069 10.491 -1.299 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.380 10.566 0.177 1.00 11.70 O ATOM 0 H ASP A 58 10.584 6.143 -1.489 1.00 9.11 H new ATOM 0 HA ASP A 58 12.061 8.188 -0.233 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.911 8.188 -1.913 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.979 8.137 -0.430 1.00 8.41 H new ATOM 927 N TYR A 59 10.074 6.444 1.699 1.00 7.97 N ATOM 928 CA TYR A 59 9.538 6.137 3.023 1.00 8.45 C ATOM 929 C TYR A 59 10.461 5.063 3.644 1.00 10.98 C ATOM 930 O TYR A 59 10.180 4.587 4.711 1.00 12.95 O ATOM 931 CB TYR A 59 8.121 5.533 2.931 1.00 7.94 C ATOM 932 CG TYR A 59 7.114 6.602 2.529 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.848 7.751 3.367 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.368 6.522 1.397 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.814 8.659 3.069 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.417 7.494 1.025 1.00 6.52 C ATOM 937 CZ TYR A 59 5.008 8.509 1.941 1.00 6.76 C ATOM 938 OH TYR A 59 4.048 9.507 1.581 1.00 7.63 O ATOM 0 H TYR A 59 9.809 5.741 1.010 1.00 7.97 H new ATOM 0 HA TYR A 59 9.490 7.052 3.613 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.111 4.722 2.202 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.839 5.102 3.892 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.458 7.916 4.243 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.511 5.670 0.749 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.640 9.494 3.732 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.992 7.470 0.032 1.00 6.52 H new ATOM 0 HH TYR A 59 4.363 10.386 1.878 1.00 7.63 H new ATOM 948 N ASN A 60 11.512 4.646 2.985 1.00 12.38 N ATOM 949 CA ASN A 60 12.591 3.808 3.482 1.00 13.94 C ATOM 950 C ASN A 60 12.040 2.413 3.846 1.00 14.16 C ATOM 951 O ASN A 60 12.451 1.743 4.825 1.00 14.26 O ATOM 952 CB ASN A 60 13.384 4.426 4.658 1.00 19.23 C ATOM 953 CG ASN A 60 14.164 5.580 4.031 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.949 6.746 4.231 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.183 5.136 3.275 1.00 24.09 N ATOM 0 H ASN A 60 11.653 4.901 2.007 1.00 12.38 H new ATOM 0 HA ASN A 60 13.316 3.719 2.673 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.717 4.779 5.444 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.053 3.695 5.112 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.821 5.801 2.837 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.318 4.134 3.139 1.00 24.09 H new ATOM 962 N ILE A 61 11.057 1.920 3.008 1.00 11.08 N ATOM 963 CA ILE A 61 10.562 0.575 3.126 1.00 11.78 C ATOM 964 C ILE A 61 11.636 -0.333 2.461 1.00 13.74 C ATOM 965 O ILE A 61 11.765 -0.359 1.233 1.00 14.60 O ATOM 966 CB ILE A 61 9.205 0.569 2.448 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.163 1.327 3.360 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.693 -0.838 2.121 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.867 1.698 2.619 1.00 11.42 C ATOM 0 H ILE A 61 10.622 2.463 2.262 1.00 11.08 H new ATOM 0 HA ILE A 61 10.413 0.206 4.141 1.00 11.78 H new ATOM 0 HB ILE A 61 9.322 1.080 1.492 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.917 0.701 4.218 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.624 2.235 3.750 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.718 -0.767 1.638 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.395 -1.334 1.451 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.601 -1.415 3.041 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.193 2.216 3.301 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.103 2.349 1.777 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.385 0.792 2.252 1.00 11.42 H new ATOM 981 N GLN A 62 12.302 -1.143 3.274 1.00 13.97 N ATOM 982 CA GLN A 62 13.062 -2.214 2.787 1.00 15.52 C ATOM 983 C GLN A 62 12.187 -3.449 2.804 1.00 13.94 C ATOM 984 O GLN A 62 11.024 -3.396 3.210 1.00 12.15 O ATOM 985 CB GLN A 62 14.246 -2.341 3.706 1.00 19.53 C ATOM 986 CG GLN A 62 15.212 -1.099 3.782 1.00 26.38 C ATOM 987 CD GLN A 62 16.491 -1.515 4.610 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.481 -1.980 4.053 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.548 -1.312 5.926 1.00 32.71 N ATOM 0 H GLN A 62 12.310 -1.049 4.290 1.00 13.97 H new ATOM 0 HA GLN A 62 13.413 -2.071 1.765 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.878 -2.549 4.711 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.829 -3.208 3.394 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.496 -0.777 2.780 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.710 -0.256 4.257 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.742 -0.927 6.418 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.398 -1.542 6.441 1.00 32.71 H new ATOM 998 N LYS A 63 12.746 -4.535 2.233 1.00 11.73 N ATOM 999 CA LYS A 63 12.018 -5.735 1.937 1.00 11.97 C ATOM 1000 C LYS A 63 11.410 -6.452 3.128 1.00 10.41 C ATOM 1001 O LYS A 63 11.875 -6.385 4.253 1.00 9.59 O ATOM 1002 CB LYS A 63 13.048 -6.694 1.292 1.00 13.73 C ATOM 1003 CG LYS A 63 14.294 -7.086 2.109 1.00 16.98 C ATOM 1004 CD LYS A 63 15.259 -7.933 1.233 1.00 20.19 C ATOM 1005 CE LYS A 63 16.380 -8.560 2.060 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.285 -9.336 1.215 1.00 25.97 N ATOM 0 H LYS A 63 13.730 -4.580 1.970 1.00 11.73 H new ATOM 0 HA LYS A 63 11.173 -5.455 1.308 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.525 -7.612 1.023 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.390 -6.238 0.363 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.803 -6.190 2.463 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.997 -7.654 2.991 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.696 -8.719 0.730 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.691 -7.303 0.456 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.938 -7.778 2.574 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.953 -9.204 2.829 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.037 -9.751 1.801 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.754 -10.096 0.744 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.709 -8.714 0.497 1.00 25.97 H new ATOM 1020 N GLU A 64 10.269 -7.179 2.841 1.00 10.04 N ATOM 1021 CA GLU A 64 9.534 -7.908 3.823 1.00 10.94 C ATOM 1022 C GLU A 64 8.817 -7.031 4.886 1.00 9.74 C ATOM 1023 O GLU A 64 8.217 -7.609 5.778 1.00 9.42 O ATOM 1024 CB GLU A 64 10.411 -9.000 4.505 1.00 18.31 C ATOM 1025 CG GLU A 64 10.974 -9.972 3.406 1.00 24.16 C ATOM 1026 CD GLU A 64 11.514 -11.257 4.092 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.642 -11.201 4.635 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.814 -12.270 4.230 1.00 32.61 O ATOM 0 H GLU A 64 9.873 -7.244 1.903 1.00 10.04 H new ATOM 0 HA GLU A 64 8.736 -8.393 3.261 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.232 -8.535 5.051 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.819 -9.557 5.232 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.190 -10.228 2.693 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.770 -9.483 2.844 1.00 24.16 H new ATOM 1035 N SER A 65 8.775 -5.697 4.789 1.00 6.85 N ATOM 1036 CA SER A 65 8.116 -4.796 5.693 1.00 6.90 C ATOM 1037 C SER A 65 6.588 -5.058 5.689 1.00 4.72 C ATOM 1038 O SER A 65 6.005 -5.403 4.663 1.00 3.91 O ATOM 1039 CB SER A 65 8.114 -3.300 5.319 1.00 7.28 C ATOM 1040 OG SER A 65 9.445 -2.780 5.503 1.00 10.56 O ATOM 0 H SER A 65 9.234 -5.204 4.023 1.00 6.85 H new ATOM 0 HA SER A 65 8.672 -4.979 6.613 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.796 -3.169 4.285 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.405 -2.755 5.942 1.00 7.28 H new ATOM 0 HG SER A 65 9.991 -2.992 4.717 1.00 10.56 H new ATOM 1046 N THR A 66 5.919 -4.794 6.822 1.00 4.48 N ATOM 1047 CA THR A 66 4.510 -4.965 6.977 1.00 3.80 C ATOM 1048 C THR A 66 3.809 -3.601 6.767 1.00 4.60 C ATOM 1049 O THR A 66 3.788 -2.731 7.637 1.00 5.33 O ATOM 1050 CB THR A 66 4.162 -5.406 8.375 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.823 -6.600 8.695 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.648 -5.622 8.553 1.00 3.40 C ATOM 0 H THR A 66 6.378 -4.447 7.665 1.00 4.48 H new ATOM 0 HA THR A 66 4.189 -5.715 6.253 1.00 3.80 H new ATOM 0 HB THR A 66 4.483 -4.606 9.043 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.587 -6.871 9.607 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.443 -5.939 9.576 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.121 -4.690 8.350 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.306 -6.390 7.860 1.00 3.40 H new ATOM 1060 N LEU A 67 3.114 -3.416 5.694 1.00 4.17 N ATOM 1061 CA LEU A 67 2.398 -2.313 5.330 1.00 3.85 C ATOM 1062 C LEU A 67 0.989 -2.520 5.835 1.00 3.80 C ATOM 1063 O LEU A 67 0.553 -3.708 6.001 1.00 5.54 O ATOM 1064 CB LEU A 67 2.383 -2.119 3.830 1.00 7.18 C ATOM 1065 CG LEU A 67 3.574 -1.406 3.197 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.961 -2.076 3.319 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.320 -0.972 1.740 1.00 11.66 C ATOM 0 H LEU A 67 3.050 -4.148 4.986 1.00 4.17 H new ATOM 0 HA LEU A 67 2.854 -1.420 5.757 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.294 -3.101 3.365 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.482 -1.562 3.573 1.00 7.18 H new ATOM 0 HG LEU A 67 3.642 -0.527 3.838 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.709 -1.457 2.823 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.221 -2.186 4.372 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.933 -3.059 2.848 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.206 -0.471 1.350 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.102 -1.850 1.132 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.472 -0.288 1.707 1.00 11.66 H new ATOM 1079 N HIS A 68 0.175 -1.536 6.141 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.251 -1.704 6.529 1.00 4.17 C ATOM 1081 C HIS A 68 -2.238 -1.000 5.551 1.00 5.32 C ATOM 1082 O HIS A 68 -1.911 0.046 5.020 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.486 -1.195 7.960 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.203 -2.282 8.958 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.126 -2.553 9.984 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.051 -2.895 9.315 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.477 -3.344 10.881 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.205 -3.523 10.584 1.00 16.30 N ATOM 0 H HIS A 68 0.472 -0.560 6.134 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.456 -2.773 6.478 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.844 -0.336 8.157 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.516 -0.854 8.067 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.853 -2.906 8.724 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.954 -3.780 11.746 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.506 -4.002 11.137 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.405 -1.617 5.333 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.392 -1.111 4.406 1.00 3.97 C ATOM 1098 C LEU A 69 -5.693 -0.740 5.062 1.00 5.07 C ATOM 1099 O LEU A 69 -6.402 -1.580 5.578 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.601 -2.207 3.276 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.762 -1.851 2.251 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.376 -0.529 1.579 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.881 -2.880 1.106 1.00 9.96 C ATOM 0 H LEU A 69 -3.680 -2.481 5.800 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.023 -0.180 3.976 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.668 -2.332 2.726 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.824 -3.164 3.747 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.700 -1.822 2.805 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.148 -0.245 0.864 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.279 0.249 2.336 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.426 -0.649 1.058 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.689 -2.587 0.436 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.944 -2.916 0.550 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.094 -3.865 1.522 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.990 0.561 5.028 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.153 1.160 5.706 1.00 6.26 C ATOM 1117 C VAL A 70 -8.077 1.765 4.641 1.00 9.22 C ATOM 1118 O VAL A 70 -7.742 2.512 3.754 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.874 2.168 6.882 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.955 1.511 7.857 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.393 3.623 6.360 1.00 8.54 C ATOM 0 H VAL A 70 -5.424 1.242 4.522 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.630 0.337 6.239 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.801 2.397 7.407 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.749 2.195 8.681 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.423 0.606 8.245 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.021 1.252 7.359 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.216 4.276 7.215 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.472 3.518 5.787 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.167 4.057 5.727 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.391 1.454 4.597 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.208 1.635 3.420 1.00 16.06 C ATOM 1133 C LEU A 71 -11.376 2.579 3.570 1.00 18.09 C ATOM 1134 O LEU A 71 -11.964 2.880 4.636 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.834 0.294 3.057 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.842 -0.844 2.764 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.598 -2.106 2.603 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.008 -0.506 1.542 1.00 19.57 C ATOM 0 H LEU A 71 -9.900 1.069 5.393 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.528 2.052 2.677 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.484 -0.016 3.875 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.468 0.434 2.181 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.147 -0.970 3.594 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.905 -2.921 2.395 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.146 -2.321 3.520 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.300 -2.006 1.775 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.309 -1.318 1.343 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.662 -0.371 0.681 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.453 0.414 1.723 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.708 3.216 2.413 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.759 4.208 2.258 1.00 25.83 C ATOM 1152 C ARG A 72 -13.709 3.876 1.138 1.00 27.74 C ATOM 1153 O ARG A 72 -13.434 4.251 0.028 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.160 5.597 2.037 1.00 28.49 C ATOM 1155 CG ARG A 72 -13.165 6.797 2.063 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.436 8.063 2.410 1.00 34.05 C ATOM 1157 NE ARG A 72 -13.613 9.031 2.467 1.00 35.08 N ATOM 1158 CZ ARG A 72 -13.648 10.166 3.232 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -12.545 10.696 3.703 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -14.874 10.772 3.536 1.00 35.02 N ATOM 0 H ARG A 72 -11.218 3.030 1.538 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.333 4.201 3.185 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.402 5.769 2.801 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.648 5.600 1.075 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.649 6.899 1.092 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -13.952 6.608 2.793 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.906 7.993 3.360 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.701 8.343 1.655 1.00 34.05 H new ATOM 0 HE ARG A 72 -14.431 8.818 1.896 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.644 10.262 3.501 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -12.588 11.542 4.271 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -15.743 10.368 3.187 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -14.898 11.617 4.106 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.787 3.119 1.371 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.715 2.606 0.372 1.00 30.76 C ATOM 1176 C LEU A 73 -16.808 3.606 0.261 1.00 32.18 C ATOM 1177 O LEU A 73 -16.892 4.557 1.029 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.390 1.269 0.756 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.391 0.175 1.228 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.295 -1.007 1.687 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.349 -0.206 0.236 1.00 29.11 C ATOM 0 H LEU A 73 -15.045 2.835 2.316 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.146 2.435 -0.542 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -17.114 1.453 1.549 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.946 0.894 -0.103 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.764 0.548 2.038 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.670 -1.828 2.038 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.946 -0.675 2.496 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.903 -1.347 0.849 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -13.704 -0.974 0.663 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -14.827 -0.592 -0.664 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -13.751 0.669 -0.018 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.723 3.357 -0.605 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.912 4.196 -0.815 1.00 35.33 C ATOM 1195 C ARG A 74 -19.962 4.028 0.184 1.00 36.22 C ATOM 1196 O ARG A 74 -20.699 4.946 0.535 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.545 4.123 -2.258 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.516 4.616 -3.225 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.057 6.054 -3.090 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.357 6.445 -4.308 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.531 7.532 -4.442 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.318 8.383 -3.496 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.830 7.567 -5.570 1.00 41.93 N ATOM 0 H ARG A 74 -17.691 2.545 -1.221 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.487 5.193 -0.696 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.837 3.101 -2.497 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.446 4.733 -2.313 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.639 3.974 -3.139 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.911 4.483 -4.232 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.912 6.708 -2.921 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.399 6.160 -2.227 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.493 5.859 -5.132 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.775 8.265 -2.592 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.693 9.174 -3.652 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.931 6.819 -6.257 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.191 8.342 -5.750 1.00 41.93 H new ATOM 1217 N GLY A 75 -20.019 2.807 0.812 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.771 2.480 2.030 1.00 36.07 C ATOM 1219 C GLY A 75 -20.030 2.852 3.271 1.00 36.16 C ATOM 1220 O GLY A 75 -20.597 2.730 4.408 1.00 36.26 O ATOM 0 H GLY A 75 -19.511 2.000 0.449 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.729 2.999 2.013 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.987 1.412 2.045 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.716 3.084 3.153 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.837 3.469 4.236 1.00 36.19 C ATOM 1226 C GLY A 76 -16.673 2.495 4.465 1.00 36.20 C ATOM 1227 O GLY A 76 -16.851 1.372 4.988 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.549 2.952 4.190 1.00 0.00 O ATOM 0 H GLY A 76 -18.229 3.002 2.261 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.434 4.460 4.029 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -18.419 3.547 5.154 1.00 36.19 H new TER 1232 GLY A 76