USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 7 THR OG1 : rot -149:sc= 1.03 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.156 (180deg=-0.156) USER MOD Single : A 1 MET N :NH3+ -173:sc= 2.36 (180deg=2.13) USER MOD Single : A 2 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.24) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= 1.26 (180deg=0.597) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 26:sc= 0.115 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 25 ASN : amide:sc= -0.0384 K(o=-0.038,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 0.394 (180deg=0.119) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0922 K(o=-0.092,f=-4.3!) USER MOD Single : A 41 GLN : amide:sc= 0.632 K(o=0.63,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot -72:sc= 1.32 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.615 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc=-0.00846 (180deg=-0.205) USER MOD Single : A 65 SER OG : rot 65:sc= 1.9 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.376 K(o=0.38,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.886 2.557 -2.677 1.00 9.67 N ATOM 2 CA MET A 1 -12.614 3.160 -1.353 1.00 10.38 C ATOM 3 C MET A 1 -11.321 3.895 -1.260 1.00 9.62 C ATOM 4 O MET A 1 -10.279 3.521 -1.796 1.00 9.62 O ATOM 5 CB MET A 1 -12.690 2.180 -0.170 1.00 13.77 C ATOM 6 CG MET A 1 -11.682 1.041 0.000 1.00 16.29 C ATOM 7 SD MET A 1 -12.278 -0.128 1.259 1.00 17.17 S ATOM 8 CE MET A 1 -10.574 -0.524 1.748 1.00 16.11 C ATOM 0 H1 MET A 1 -13.851 2.170 -2.690 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.794 3.284 -3.415 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.204 1.793 -2.857 1.00 9.67 H new ATOM 0 HA MET A 1 -13.434 3.873 -1.272 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.645 2.779 0.739 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.679 1.723 -0.202 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.539 0.525 -0.949 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.712 1.442 0.294 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.588 -1.260 2.552 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.035 -0.932 0.893 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.075 0.381 2.093 1.00 16.11 H new ATOM 20 N GLN A 2 -11.331 5.126 -0.719 1.00 9.27 N ATOM 21 CA GLN A 2 -10.139 5.829 -0.357 1.00 9.07 C ATOM 22 C GLN A 2 -9.490 5.326 0.887 1.00 8.72 C ATOM 23 O GLN A 2 -10.061 5.229 1.972 1.00 8.22 O ATOM 24 CB GLN A 2 -10.637 7.274 -0.189 1.00 14.46 C ATOM 25 CG GLN A 2 -9.426 8.206 -0.121 1.00 17.01 C ATOM 26 CD GLN A 2 -9.698 9.692 -0.300 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.810 10.543 -0.332 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.978 10.091 -0.528 1.00 19.49 N ATOM 0 H GLN A 2 -12.188 5.646 -0.528 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.356 5.709 -1.106 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.281 7.551 -1.024 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -11.235 7.365 0.718 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.940 8.063 0.844 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -8.714 7.896 -0.886 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.736 9.409 -0.508 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.180 11.072 -0.719 1.00 19.49 H new ATOM 37 N ILE A 3 -8.199 4.994 0.708 1.00 5.87 N ATOM 38 CA ILE A 3 -7.274 4.677 1.751 1.00 5.07 C ATOM 39 C ILE A 3 -6.098 5.593 1.754 1.00 4.01 C ATOM 40 O ILE A 3 -5.832 6.203 0.720 1.00 4.61 O ATOM 41 CB ILE A 3 -6.807 3.253 1.679 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.010 2.874 0.419 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.048 2.354 1.810 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.979 1.760 0.601 1.00 10.83 C ATOM 0 H ILE A 3 -7.777 4.944 -0.219 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.820 4.813 2.685 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.095 3.113 2.493 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.713 2.571 -0.357 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.497 3.764 0.054 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.746 1.308 1.762 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.538 2.547 2.764 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.741 2.569 0.997 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.475 1.572 -0.347 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.245 2.062 1.349 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.481 0.850 0.931 1.00 10.83 H new ATOM 56 N PHE A 4 -5.326 5.686 2.851 1.00 4.55 N ATOM 57 CA PHE A 4 -4.206 6.562 3.008 1.00 4.68 C ATOM 58 C PHE A 4 -2.949 5.805 3.264 1.00 5.30 C ATOM 59 O PHE A 4 -2.815 5.000 4.185 1.00 5.58 O ATOM 60 CB PHE A 4 -4.391 7.454 4.247 1.00 4.83 C ATOM 61 CG PHE A 4 -5.783 7.957 4.419 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.346 8.905 3.598 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.333 7.605 5.629 1.00 6.69 C ATOM 64 CE1 PHE A 4 -7.516 9.488 4.025 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.511 8.197 6.019 1.00 9.10 C ATOM 66 CZ PHE A 4 -8.100 9.152 5.224 1.00 8.90 C ATOM 0 H PHE A 4 -5.494 5.114 3.679 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.143 7.137 2.084 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.105 6.891 5.135 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.713 8.304 4.176 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.889 9.180 2.659 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -5.848 6.876 6.262 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -7.990 10.231 3.401 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -7.975 7.911 6.952 1.00 9.10 H new ATOM 0 HZ PHE A 4 -9.014 9.634 5.539 1.00 8.90 H new ATOM 76 N VAL A 5 -1.935 6.073 2.422 1.00 4.44 N ATOM 77 CA VAL A 5 -0.648 5.490 2.645 1.00 3.87 C ATOM 78 C VAL A 5 0.330 6.539 3.049 1.00 4.93 C ATOM 79 O VAL A 5 0.588 7.475 2.294 1.00 6.84 O ATOM 80 CB VAL A 5 -0.140 4.809 1.409 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.185 4.058 1.627 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.262 3.819 1.051 1.00 9.13 C ATOM 0 H VAL A 5 -2.002 6.679 1.604 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.755 4.752 3.440 1.00 3.87 H new ATOM 0 HB VAL A 5 0.081 5.533 0.625 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.495 3.589 0.693 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.952 4.761 1.952 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.048 3.292 2.390 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.986 3.266 0.153 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.409 3.122 1.876 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.187 4.367 0.870 1.00 9.13 H new ATOM 92 N LYS A 6 0.848 6.578 4.290 1.00 6.04 N ATOM 93 CA LYS A 6 1.803 7.543 4.739 1.00 6.12 C ATOM 94 C LYS A 6 3.250 7.247 4.544 1.00 6.57 C ATOM 95 O LYS A 6 3.742 6.163 4.854 1.00 5.76 O ATOM 96 CB LYS A 6 1.658 7.862 6.237 1.00 7.45 C ATOM 97 CG LYS A 6 2.306 9.085 6.889 1.00 11.12 C ATOM 98 CD LYS A 6 1.902 9.409 8.329 1.00 14.54 C ATOM 99 CE LYS A 6 2.022 10.852 8.823 1.00 18.84 C ATOM 100 NZ LYS A 6 1.717 11.008 10.263 1.00 20.55 N ATOM 0 H LYS A 6 0.589 5.906 5.013 1.00 6.04 H new ATOM 0 HA LYS A 6 1.543 8.372 4.081 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.589 7.933 6.437 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.026 6.990 6.777 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.387 8.947 6.865 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.082 9.955 6.272 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.864 9.102 8.457 1.00 14.54 H new ATOM 0 HD3 LYS A 6 2.503 8.784 8.989 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.034 11.210 8.633 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.346 11.483 8.246 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.817 12.007 10.533 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.742 10.695 10.447 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 2.377 10.431 10.822 1.00 20.55 H new ATOM 114 N THR A 7 3.994 8.291 4.137 1.00 7.41 N ATOM 115 CA THR A 7 5.403 8.151 3.939 1.00 7.48 C ATOM 116 C THR A 7 6.284 8.364 5.122 1.00 8.75 C ATOM 117 O THR A 7 5.802 8.712 6.198 1.00 8.58 O ATOM 118 CB THR A 7 5.938 8.877 2.740 1.00 9.61 C ATOM 119 OG1 THR A 7 5.943 10.289 2.895 1.00 11.78 O ATOM 120 CG2 THR A 7 5.195 8.444 1.465 1.00 9.17 C ATOM 0 H THR A 7 3.625 9.223 3.947 1.00 7.41 H new ATOM 0 HA THR A 7 5.459 7.080 3.742 1.00 7.48 H new ATOM 0 HB THR A 7 6.985 8.591 2.641 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.813 10.714 2.022 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.599 8.983 0.608 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.325 7.372 1.314 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.134 8.670 1.568 1.00 9.17 H new ATOM 128 N LEU A 8 7.601 8.147 4.955 1.00 9.84 N ATOM 129 CA LEU A 8 8.590 8.424 5.950 1.00 14.15 C ATOM 130 C LEU A 8 8.923 9.866 6.126 1.00 17.37 C ATOM 131 O LEU A 8 8.945 10.271 7.287 1.00 17.01 O ATOM 132 CB LEU A 8 9.783 7.566 5.497 1.00 16.63 C ATOM 133 CG LEU A 8 10.704 7.193 6.671 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.225 6.178 7.723 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.976 6.555 6.087 1.00 19.31 C ATOM 0 H LEU A 8 7.992 7.764 4.094 1.00 9.84 H new ATOM 0 HA LEU A 8 8.237 8.176 6.951 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.416 6.657 5.022 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.356 8.110 4.746 1.00 16.63 H new ATOM 0 HG LEU A 8 10.799 8.144 7.196 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.003 6.038 8.474 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.320 6.551 8.203 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.012 5.225 7.239 1.00 18.59 H new ATOM 0 HD21 LEU A 8 12.650 6.279 6.898 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.708 5.664 5.519 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.472 7.269 5.430 1.00 19.31 H new ATOM 147 N THR A 9 8.978 10.645 5.032 1.00 18.33 N ATOM 148 CA THR A 9 8.889 12.068 5.143 1.00 19.24 C ATOM 149 C THR A 9 7.561 12.628 5.521 1.00 19.48 C ATOM 150 O THR A 9 7.572 13.328 6.533 1.00 23.14 O ATOM 151 CB THR A 9 9.416 12.897 4.009 1.00 18.97 C ATOM 152 OG1 THR A 9 8.821 12.598 2.754 1.00 20.24 O ATOM 153 CG2 THR A 9 10.942 12.828 3.830 1.00 19.70 C ATOM 0 H THR A 9 9.083 10.295 4.080 1.00 18.33 H new ATOM 0 HA THR A 9 9.579 12.164 5.981 1.00 19.24 H new ATOM 0 HB THR A 9 9.139 13.906 4.314 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.209 13.174 2.063 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.238 13.455 2.989 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.431 13.182 4.737 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.239 11.797 3.636 1.00 19.70 H new ATOM 161 N GLY A 10 6.403 12.353 4.895 1.00 19.43 N ATOM 162 CA GLY A 10 5.088 12.497 5.439 1.00 18.74 C ATOM 163 C GLY A 10 4.172 13.136 4.453 1.00 17.62 C ATOM 164 O GLY A 10 3.520 14.166 4.618 1.00 19.74 O ATOM 0 H GLY A 10 6.386 12.004 3.937 1.00 19.43 H new ATOM 0 HA2 GLY A 10 4.698 11.519 5.723 1.00 18.74 H new ATOM 0 HA3 GLY A 10 5.129 13.099 6.346 1.00 18.74 H new ATOM 168 N LYS A 11 4.078 12.451 3.299 1.00 13.56 N ATOM 169 CA LYS A 11 3.010 12.771 2.403 1.00 11.91 C ATOM 170 C LYS A 11 1.873 11.827 2.589 1.00 10.18 C ATOM 171 O LYS A 11 2.102 10.677 2.958 1.00 9.10 O ATOM 172 CB LYS A 11 3.517 12.598 0.962 1.00 13.43 C ATOM 173 CG LYS A 11 2.712 13.230 -0.175 1.00 16.69 C ATOM 174 CD LYS A 11 3.404 13.065 -1.530 1.00 17.92 C ATOM 175 CE LYS A 11 3.521 11.637 -2.068 1.00 20.81 C ATOM 176 NZ LYS A 11 4.078 11.655 -3.439 1.00 21.93 N ATOM 0 H LYS A 11 4.709 11.709 2.995 1.00 13.56 H new ATOM 0 HA LYS A 11 2.681 13.791 2.599 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.529 13.001 0.916 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.590 11.529 0.762 1.00 13.43 H new ATOM 0 HG2 LYS A 11 1.723 12.774 -0.216 1.00 16.69 H new ATOM 0 HG3 LYS A 11 2.566 14.290 0.030 1.00 16.69 H new ATOM 0 HD2 LYS A 11 2.864 13.663 -2.264 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.407 13.484 -1.454 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.162 11.045 -1.414 1.00 20.81 H new ATOM 0 HE3 LYS A 11 2.541 11.160 -2.071 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 3.418 11.180 -4.088 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 4.216 12.639 -3.745 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.991 11.158 -3.449 1.00 21.93 H new ATOM 190 N THR A 12 0.626 12.294 2.398 1.00 9.63 N ATOM 191 CA THR A 12 -0.471 11.383 2.293 1.00 9.85 C ATOM 192 C THR A 12 -0.723 11.066 0.859 1.00 11.66 C ATOM 193 O THR A 12 -1.174 11.898 0.073 1.00 12.33 O ATOM 194 CB THR A 12 -1.783 11.879 2.824 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.621 12.430 4.123 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.885 10.814 2.951 1.00 9.63 C ATOM 0 H THR A 12 0.380 13.281 2.318 1.00 9.63 H new ATOM 0 HA THR A 12 -0.159 10.531 2.897 1.00 9.85 H new ATOM 0 HB THR A 12 -2.097 12.612 2.082 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.487 12.750 4.453 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.792 11.274 3.343 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.091 10.385 1.970 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.554 10.027 3.629 1.00 9.63 H new ATOM 204 N ILE A 13 -0.413 9.850 0.374 1.00 10.42 N ATOM 205 CA ILE A 13 -0.798 9.240 -0.861 1.00 11.84 C ATOM 206 C ILE A 13 -2.216 8.803 -0.725 1.00 10.55 C ATOM 207 O ILE A 13 -2.539 8.079 0.216 1.00 11.92 O ATOM 208 CB ILE A 13 0.083 8.091 -1.255 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.589 8.403 -1.258 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.330 7.591 -2.649 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.479 7.172 -1.418 1.00 16.46 C ATOM 0 H ILE A 13 0.180 9.222 0.917 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.688 9.971 -1.662 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.063 7.329 -0.490 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.803 9.101 -2.067 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.847 8.906 -0.326 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.307 6.756 -2.940 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.369 7.263 -2.625 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.222 8.399 -3.372 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.526 7.476 -1.410 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.296 6.481 -0.595 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.251 6.679 -2.363 1.00 16.46 H new ATOM 223 N THR A 14 -3.169 9.139 -1.612 1.00 9.39 N ATOM 224 CA THR A 14 -4.512 8.665 -1.487 1.00 9.63 C ATOM 225 C THR A 14 -4.887 7.752 -2.603 1.00 11.20 C ATOM 226 O THR A 14 -4.618 8.153 -3.735 1.00 11.63 O ATOM 227 CB THR A 14 -5.549 9.740 -1.339 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.449 10.683 -2.396 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.200 10.537 -0.071 1.00 11.66 C ATOM 0 H THR A 14 -3.008 9.742 -2.419 1.00 9.39 H new ATOM 0 HA THR A 14 -4.508 8.112 -0.548 1.00 9.63 H new ATOM 0 HB THR A 14 -6.535 9.275 -1.321 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.042 10.256 -3.178 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.933 11.331 0.073 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.212 9.871 0.792 1.00 11.66 H new ATOM 0 HG23 THR A 14 -4.207 10.974 -0.178 1.00 11.66 H new ATOM 237 N LEU A 15 -5.393 6.559 -2.242 1.00 8.29 N ATOM 238 CA LEU A 15 -5.611 5.552 -3.234 1.00 9.03 C ATOM 239 C LEU A 15 -6.989 4.986 -3.222 1.00 8.59 C ATOM 240 O LEU A 15 -7.465 4.704 -2.123 1.00 7.79 O ATOM 241 CB LEU A 15 -4.565 4.472 -2.906 1.00 11.08 C ATOM 242 CG LEU A 15 -3.103 4.842 -2.604 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.403 3.562 -2.117 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.418 5.262 -3.915 1.00 15.88 C ATOM 0 H LEU A 15 -5.646 6.295 -1.290 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.509 5.966 -4.237 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.938 3.920 -2.043 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.550 3.778 -3.746 1.00 11.08 H new ATOM 0 HG LEU A 15 -3.053 5.645 -1.869 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.360 3.781 -1.891 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.899 3.195 -1.219 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.453 2.801 -2.896 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.380 5.527 -3.714 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.451 4.435 -4.624 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.937 6.122 -4.337 1.00 15.88 H new ATOM 256 N GLU A 16 -7.619 4.871 -4.404 1.00 11.04 N ATOM 257 CA GLU A 16 -8.919 4.391 -4.758 1.00 11.50 C ATOM 258 C GLU A 16 -8.825 2.962 -5.166 1.00 10.13 C ATOM 259 O GLU A 16 -8.566 2.665 -6.331 1.00 9.83 O ATOM 260 CB GLU A 16 -9.567 5.366 -5.756 1.00 17.22 C ATOM 261 CG GLU A 16 -11.042 5.176 -6.112 1.00 23.33 C ATOM 262 CD GLU A 16 -11.921 5.066 -4.874 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.947 5.986 -4.014 1.00 28.90 O ATOM 264 OE2 GLU A 16 -12.737 4.112 -4.761 1.00 28.86 O ATOM 0 H GLU A 16 -7.127 5.166 -5.247 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.608 4.379 -3.913 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.450 6.374 -5.358 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.994 5.321 -6.682 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -11.378 6.015 -6.721 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.155 4.277 -6.717 1.00 23.33 H new ATOM 271 N VAL A 17 -9.000 2.007 -4.235 1.00 8.99 N ATOM 272 CA VAL A 17 -8.957 0.603 -4.500 1.00 8.85 C ATOM 273 C VAL A 17 -10.225 0.032 -3.965 1.00 8.04 C ATOM 274 O VAL A 17 -10.976 0.680 -3.238 1.00 8.99 O ATOM 275 CB VAL A 17 -7.802 0.005 -3.752 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.523 0.657 -4.304 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.919 0.135 -2.224 1.00 10.54 C ATOM 0 H VAL A 17 -9.179 2.224 -3.255 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.843 0.398 -5.565 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.785 -1.073 -3.914 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.654 0.250 -3.786 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.440 0.449 -5.371 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.567 1.735 -4.147 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.048 -0.320 -1.752 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.970 1.189 -1.951 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.822 -0.372 -1.884 1.00 10.54 H new ATOM 287 N GLU A 18 -10.598 -1.221 -4.280 1.00 7.29 N ATOM 288 CA GLU A 18 -11.749 -1.815 -3.673 1.00 7.08 C ATOM 289 C GLU A 18 -11.226 -2.741 -2.629 1.00 6.45 C ATOM 290 O GLU A 18 -10.092 -3.196 -2.773 1.00 5.28 O ATOM 291 CB GLU A 18 -12.719 -2.467 -4.673 1.00 10.28 C ATOM 292 CG GLU A 18 -13.613 -1.561 -5.522 1.00 12.65 C ATOM 293 CD GLU A 18 -14.642 -0.770 -4.727 1.00 14.15 C ATOM 294 OE1 GLU A 18 -15.618 -1.360 -4.191 1.00 14.33 O ATOM 295 OE2 GLU A 18 -14.513 0.483 -4.702 1.00 18.17 O ATOM 0 H GLU A 18 -10.109 -1.818 -4.947 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.384 -1.053 -3.221 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -12.130 -3.082 -5.353 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.367 -3.142 -4.114 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.983 -0.863 -6.074 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -14.133 -2.172 -6.260 1.00 12.65 H new ATOM 302 N PRO A 19 -11.891 -3.094 -1.569 1.00 7.24 N ATOM 303 CA PRO A 19 -11.307 -3.877 -0.520 1.00 7.07 C ATOM 304 C PRO A 19 -10.976 -5.299 -0.821 1.00 6.65 C ATOM 305 O PRO A 19 -10.254 -5.904 -0.030 1.00 6.37 O ATOM 306 CB PRO A 19 -12.358 -4.013 0.579 1.00 7.61 C ATOM 307 CG PRO A 19 -13.679 -3.611 -0.096 1.00 8.16 C ATOM 308 CD PRO A 19 -13.253 -2.692 -1.251 1.00 7.49 C ATOM 0 HA PRO A 19 -10.380 -3.350 -0.293 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.402 -5.033 0.961 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.132 -3.365 1.426 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.220 -4.484 -0.461 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.340 -3.094 0.600 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.911 -2.810 -2.112 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.297 -1.643 -0.958 1.00 7.49 H new ATOM 316 N SER A 20 -11.352 -5.772 -2.022 1.00 6.80 N ATOM 317 CA SER A 20 -11.004 -7.083 -2.476 1.00 6.28 C ATOM 318 C SER A 20 -9.816 -6.969 -3.369 1.00 8.45 C ATOM 319 O SER A 20 -9.350 -7.994 -3.864 1.00 7.26 O ATOM 320 CB SER A 20 -12.080 -7.709 -3.379 1.00 8.57 C ATOM 321 OG SER A 20 -13.332 -7.594 -2.720 1.00 11.13 O ATOM 0 H SER A 20 -11.907 -5.236 -2.689 1.00 6.80 H new ATOM 0 HA SER A 20 -10.854 -7.687 -1.581 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.110 -7.202 -4.343 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.849 -8.756 -3.577 1.00 8.57 H new ATOM 0 HG SER A 20 -14.034 -7.986 -3.280 1.00 11.13 H new ATOM 327 N ASP A 21 -9.196 -5.792 -3.564 1.00 7.50 N ATOM 328 CA ASP A 21 -7.868 -5.734 -4.093 1.00 7.70 C ATOM 329 C ASP A 21 -6.775 -6.266 -3.231 1.00 7.08 C ATOM 330 O ASP A 21 -6.801 -6.275 -2.002 1.00 8.11 O ATOM 331 CB ASP A 21 -7.626 -4.318 -4.644 1.00 11.00 C ATOM 332 CG ASP A 21 -8.430 -4.020 -5.901 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.219 -4.772 -6.890 1.00 14.36 O ATOM 334 OD2 ASP A 21 -9.273 -3.084 -5.910 1.00 18.03 O ATOM 0 H ASP A 21 -9.611 -4.884 -3.357 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.816 -6.456 -4.908 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.880 -3.588 -3.876 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.565 -4.196 -4.861 1.00 11.00 H new ATOM 339 N THR A 22 -5.771 -6.825 -3.929 1.00 5.37 N ATOM 340 CA THR A 22 -4.684 -7.515 -3.306 1.00 6.01 C ATOM 341 C THR A 22 -3.629 -6.497 -3.037 1.00 8.01 C ATOM 342 O THR A 22 -3.660 -5.383 -3.557 1.00 8.11 O ATOM 343 CB THR A 22 -4.033 -8.504 -4.227 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.844 -7.992 -5.538 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.941 -9.725 -4.448 1.00 9.65 C ATOM 0 H THR A 22 -5.713 -6.797 -4.947 1.00 5.37 H new ATOM 0 HA THR A 22 -5.071 -8.028 -2.425 1.00 6.01 H new ATOM 0 HB THR A 22 -3.085 -8.744 -3.745 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.416 -8.674 -6.097 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.448 -10.428 -5.119 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.136 -10.211 -3.492 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.884 -9.402 -4.890 1.00 9.65 H new ATOM 353 N ILE A 23 -2.694 -6.740 -2.101 1.00 8.32 N ATOM 354 CA ILE A 23 -1.673 -5.791 -1.781 1.00 9.92 C ATOM 355 C ILE A 23 -0.721 -5.510 -2.892 1.00 10.01 C ATOM 356 O ILE A 23 -0.238 -4.392 -3.066 1.00 8.71 O ATOM 357 CB ILE A 23 -0.910 -6.282 -0.586 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.709 -6.614 0.686 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.289 -5.393 -0.216 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.581 -5.490 1.243 1.00 12.30 C ATOM 0 H ILE A 23 -2.646 -7.604 -1.561 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.182 -4.849 -1.578 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.564 -7.244 -0.964 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.348 -7.472 0.476 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.008 -6.921 1.462 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.794 -5.808 0.656 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.985 -5.354 -1.054 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.061 -4.386 0.012 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.096 -5.839 2.138 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.955 -4.634 1.495 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.315 -5.194 0.494 1.00 12.30 H new ATOM 372 N GLU A 24 -0.489 -6.563 -3.695 1.00 9.54 N ATOM 373 CA GLU A 24 0.066 -6.590 -5.012 1.00 11.81 C ATOM 374 C GLU A 24 -0.540 -5.507 -5.837 1.00 11.14 C ATOM 375 O GLU A 24 0.194 -4.690 -6.392 1.00 10.62 O ATOM 376 CB GLU A 24 -0.071 -7.936 -5.744 1.00 19.24 C ATOM 377 CG GLU A 24 0.939 -8.078 -6.884 1.00 27.76 C ATOM 378 CD GLU A 24 0.897 -9.399 -7.640 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.053 -10.284 -7.338 1.00 34.80 O ATOM 380 OE2 GLU A 24 1.699 -9.423 -8.612 1.00 36.51 O ATOM 0 H GLU A 24 -0.719 -7.505 -3.380 1.00 9.54 H new ATOM 0 HA GLU A 24 1.137 -6.433 -4.881 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.069 -8.750 -5.033 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.081 -8.030 -6.142 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.774 -7.268 -7.595 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.941 -7.945 -6.476 1.00 27.76 H new ATOM 387 N ASN A 25 -1.869 -5.329 -5.936 1.00 9.43 N ATOM 388 CA ASN A 25 -2.460 -4.272 -6.697 1.00 10.96 C ATOM 389 C ASN A 25 -2.386 -2.899 -6.124 1.00 9.68 C ATOM 390 O ASN A 25 -2.494 -1.952 -6.901 1.00 9.33 O ATOM 391 CB ASN A 25 -3.897 -4.581 -7.149 1.00 16.78 C ATOM 392 CG ASN A 25 -4.044 -5.663 -8.209 1.00 22.31 C ATOM 393 OD1 ASN A 25 -3.044 -5.875 -8.894 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.272 -6.245 -8.266 1.00 24.70 N ATOM 0 H ASN A 25 -2.549 -5.934 -5.476 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.802 -4.247 -7.566 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.477 -4.876 -6.274 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.342 -3.662 -7.531 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.460 -6.973 -8.956 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -6.005 -5.954 -7.619 1.00 24.70 H new ATOM 401 N VAL A 26 -2.188 -2.740 -4.803 1.00 6.52 N ATOM 402 CA VAL A 26 -1.957 -1.475 -4.178 1.00 5.53 C ATOM 403 C VAL A 26 -0.596 -0.979 -4.528 1.00 4.42 C ATOM 404 O VAL A 26 -0.384 0.143 -4.984 1.00 3.40 O ATOM 405 CB VAL A 26 -2.109 -1.529 -2.687 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.888 -0.110 -2.137 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.467 -2.200 -2.419 1.00 8.12 C ATOM 0 H VAL A 26 -2.189 -3.521 -4.147 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.716 -0.789 -4.554 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.374 -2.132 -2.154 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.993 -0.120 -1.052 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.887 0.231 -2.402 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.627 0.566 -2.567 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.634 -2.267 -1.344 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.261 -1.608 -2.873 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.469 -3.201 -2.850 1.00 8.12 H new ATOM 417 N LYS A 27 0.385 -1.898 -4.475 1.00 2.64 N ATOM 418 CA LYS A 27 1.669 -1.587 -5.023 1.00 4.14 C ATOM 419 C LYS A 27 1.781 -1.280 -6.476 1.00 5.58 C ATOM 420 O LYS A 27 2.663 -0.568 -6.955 1.00 4.11 O ATOM 421 CB LYS A 27 2.592 -2.798 -4.803 1.00 3.97 C ATOM 422 CG LYS A 27 2.903 -3.058 -3.328 1.00 7.45 C ATOM 423 CD LYS A 27 3.939 -4.142 -3.024 1.00 9.02 C ATOM 424 CE LYS A 27 4.034 -4.419 -1.523 1.00 12.90 C ATOM 425 NZ LYS A 27 5.220 -5.295 -1.387 1.00 15.47 N ATOM 0 H LYS A 27 0.296 -2.828 -4.066 1.00 2.64 H new ATOM 0 HA LYS A 27 1.926 -0.664 -4.503 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.125 -3.685 -5.231 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.526 -2.638 -5.342 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.247 -2.124 -2.883 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.973 -3.326 -2.826 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.672 -5.060 -3.548 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.914 -3.832 -3.400 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.154 -3.496 -0.955 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.134 -4.908 -1.151 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.109 -5.902 -0.550 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.312 -5.889 -2.236 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.073 -4.710 -1.279 1.00 15.47 H new ATOM 439 N ALA A 28 0.918 -1.869 -7.324 1.00 6.61 N ATOM 440 CA ALA A 28 0.813 -1.513 -8.705 1.00 7.74 C ATOM 441 C ALA A 28 0.100 -0.222 -8.919 1.00 9.17 C ATOM 442 O ALA A 28 0.532 0.589 -9.737 1.00 11.45 O ATOM 443 CB ALA A 28 0.090 -2.671 -9.415 1.00 7.68 C ATOM 0 H ALA A 28 0.277 -2.611 -7.042 1.00 6.61 H new ATOM 0 HA ALA A 28 1.811 -1.359 -9.116 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -0.012 -2.441 -10.475 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.668 -3.588 -9.297 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.899 -2.806 -8.976 1.00 7.68 H new ATOM 449 N LYS A 29 -0.910 0.094 -8.089 1.00 8.96 N ATOM 450 CA LYS A 29 -1.486 1.402 -8.048 1.00 7.90 C ATOM 451 C LYS A 29 -0.547 2.523 -7.765 1.00 6.92 C ATOM 452 O LYS A 29 -0.368 3.531 -8.448 1.00 6.87 O ATOM 453 CB LYS A 29 -2.662 1.403 -7.057 1.00 10.28 C ATOM 454 CG LYS A 29 -3.646 2.572 -7.128 1.00 14.94 C ATOM 455 CD LYS A 29 -4.363 2.703 -8.474 1.00 19.69 C ATOM 456 CE LYS A 29 -5.719 1.999 -8.409 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.951 1.398 -9.742 1.00 24.98 N ATOM 0 H LYS A 29 -1.333 -0.567 -7.437 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.825 1.606 -9.064 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -3.225 0.481 -7.202 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.251 1.370 -6.048 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -4.391 2.454 -6.341 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.109 3.498 -6.923 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.501 3.755 -8.722 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.754 2.266 -9.265 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.720 1.233 -7.634 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.510 2.706 -8.160 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.867 0.905 -9.746 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.957 2.147 -10.464 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.192 0.719 -9.954 1.00 24.98 H new ATOM 471 N ILE A 30 0.261 2.335 -6.706 1.00 4.57 N ATOM 472 CA ILE A 30 1.420 3.101 -6.367 1.00 5.58 C ATOM 473 C ILE A 30 2.453 3.123 -7.440 1.00 7.26 C ATOM 474 O ILE A 30 2.994 4.194 -7.709 1.00 9.46 O ATOM 475 CB ILE A 30 2.016 2.644 -5.069 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.030 2.718 -3.890 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.244 3.524 -4.781 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.488 1.931 -2.663 1.00 2.00 C ATOM 0 H ILE A 30 0.088 1.587 -6.034 1.00 4.57 H new ATOM 0 HA ILE A 30 1.071 4.127 -6.253 1.00 5.58 H new ATOM 0 HB ILE A 30 2.288 1.593 -5.169 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.888 3.762 -3.610 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.060 2.340 -4.213 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.701 3.215 -3.841 1.00 2.78 H new ATOM 0 HG22 ILE A 30 3.968 3.415 -5.589 1.00 2.78 H new ATOM 0 HG23 ILE A 30 2.935 4.567 -4.709 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.745 2.027 -1.871 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.603 0.880 -2.927 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.443 2.324 -2.315 1.00 2.00 H new ATOM 490 N GLN A 31 2.830 2.061 -8.174 1.00 7.06 N ATOM 491 CA GLN A 31 3.720 2.169 -9.288 1.00 8.67 C ATOM 492 C GLN A 31 3.238 2.986 -10.438 1.00 10.90 C ATOM 493 O GLN A 31 4.008 3.787 -10.965 1.00 9.63 O ATOM 494 CB GLN A 31 4.187 0.787 -9.774 1.00 9.12 C ATOM 495 CG GLN A 31 5.325 0.846 -10.794 1.00 10.76 C ATOM 496 CD GLN A 31 5.805 -0.502 -11.314 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.992 -0.767 -11.499 1.00 14.48 O ATOM 498 NE2 GLN A 31 4.836 -1.375 -11.699 1.00 14.76 N ATOM 0 H GLN A 31 2.511 1.110 -7.991 1.00 7.06 H new ATOM 0 HA GLN A 31 4.563 2.729 -8.883 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.511 0.200 -8.915 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.341 0.262 -10.217 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.000 1.449 -11.642 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.170 1.364 -10.341 1.00 10.76 H new ATOM 0 HE21 GLN A 31 3.854 -1.148 -11.542 1.00 14.76 H new ATOM 0 HE22 GLN A 31 5.091 -2.256 -12.144 1.00 14.76 H new ATOM 507 N ASP A 32 1.938 2.864 -10.762 1.00 10.93 N ATOM 508 CA ASP A 32 1.296 3.632 -11.783 1.00 14.01 C ATOM 509 C ASP A 32 1.178 5.077 -11.441 1.00 14.04 C ATOM 510 O ASP A 32 1.587 5.922 -12.236 1.00 13.39 O ATOM 511 CB ASP A 32 -0.124 3.078 -11.987 1.00 18.01 C ATOM 512 CG ASP A 32 -0.225 1.962 -13.017 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.842 1.552 -13.547 1.00 25.17 O ATOM 514 OD2 ASP A 32 -1.377 1.528 -13.286 1.00 26.29 O ATOM 0 H ASP A 32 1.312 2.207 -10.296 1.00 10.93 H new ATOM 0 HA ASP A 32 1.909 3.552 -12.681 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -0.497 2.708 -11.032 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -0.779 3.895 -12.290 1.00 18.01 H new ATOM 519 N LYS A 33 0.660 5.428 -10.250 1.00 14.22 N ATOM 520 CA LYS A 33 0.608 6.811 -9.893 1.00 14.00 C ATOM 521 C LYS A 33 1.940 7.418 -9.613 1.00 12.37 C ATOM 522 O LYS A 33 2.305 8.363 -10.311 1.00 12.17 O ATOM 523 CB LYS A 33 -0.300 6.994 -8.665 1.00 18.62 C ATOM 524 CG LYS A 33 -1.809 6.801 -8.822 1.00 24.00 C ATOM 525 CD LYS A 33 -2.512 7.840 -9.698 1.00 27.61 C ATOM 526 CE LYS A 33 -3.914 7.448 -10.169 1.00 27.64 C ATOM 527 NZ LYS A 33 -4.725 8.526 -10.779 1.00 30.06 N ATOM 0 H LYS A 33 0.289 4.779 -9.556 1.00 14.22 H new ATOM 0 HA LYS A 33 0.207 7.332 -10.762 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.042 6.300 -7.897 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -0.135 8.001 -8.281 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -1.991 5.812 -9.243 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.266 6.815 -7.832 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.580 8.775 -9.142 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.892 8.034 -10.573 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -3.818 6.640 -10.894 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -4.462 7.048 -9.316 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -5.652 8.147 -11.059 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -4.859 9.293 -10.089 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -4.235 8.897 -11.618 1.00 30.06 H new ATOM 541 N GLU A 34 2.629 6.985 -8.543 1.00 10.11 N ATOM 542 CA GLU A 34 3.816 7.595 -8.027 1.00 10.07 C ATOM 543 C GLU A 34 5.107 7.367 -8.734 1.00 9.32 C ATOM 544 O GLU A 34 5.975 8.233 -8.832 1.00 11.61 O ATOM 545 CB GLU A 34 3.943 7.115 -6.572 1.00 14.77 C ATOM 546 CG GLU A 34 2.785 7.457 -5.632 1.00 18.75 C ATOM 547 CD GLU A 34 2.287 8.894 -5.558 1.00 22.28 C ATOM 548 OE1 GLU A 34 3.033 9.747 -5.008 1.00 25.19 O ATOM 549 OE2 GLU A 34 1.181 9.151 -6.104 1.00 21.95 O ATOM 0 H GLU A 34 2.343 6.165 -8.009 1.00 10.11 H new ATOM 0 HA GLU A 34 3.672 8.667 -8.161 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.066 6.032 -6.580 1.00 14.77 H new ATOM 0 HB3 GLU A 34 4.857 7.536 -6.153 1.00 14.77 H new ATOM 0 HG2 GLU A 34 1.938 6.831 -5.913 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.081 7.160 -4.626 1.00 18.75 H new ATOM 556 N GLY A 35 5.301 6.159 -9.293 1.00 7.22 N ATOM 557 CA GLY A 35 6.532 5.732 -9.883 1.00 6.29 C ATOM 558 C GLY A 35 7.450 5.156 -8.860 1.00 6.93 C ATOM 559 O GLY A 35 8.540 5.653 -8.584 1.00 7.41 O ATOM 0 H GLY A 35 4.569 5.450 -9.336 1.00 7.22 H new ATOM 0 HA2 GLY A 35 6.330 4.988 -10.654 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.015 6.577 -10.374 1.00 6.29 H new ATOM 563 N ILE A 36 6.967 4.081 -8.211 1.00 5.86 N ATOM 564 CA ILE A 36 7.672 3.335 -7.215 1.00 6.07 C ATOM 565 C ILE A 36 7.527 1.886 -7.533 1.00 6.36 C ATOM 566 O ILE A 36 6.410 1.371 -7.510 1.00 6.18 O ATOM 567 CB ILE A 36 7.143 3.419 -5.814 1.00 7.47 C ATOM 568 CG1 ILE A 36 6.790 4.867 -5.432 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.261 2.837 -4.932 1.00 7.36 C ATOM 570 CD1 ILE A 36 6.543 5.090 -3.941 1.00 9.49 C ATOM 0 H ILE A 36 6.033 3.713 -8.392 1.00 5.86 H new ATOM 0 HA ILE A 36 8.677 3.756 -7.241 1.00 6.07 H new ATOM 0 HB ILE A 36 6.213 2.864 -5.691 1.00 7.47 H new ATOM 0 HG12 ILE A 36 7.600 5.521 -5.754 1.00 8.52 H new ATOM 0 HG13 ILE A 36 5.899 5.167 -5.983 1.00 8.52 H new ATOM 0 HG21 ILE A 36 7.951 2.863 -3.887 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.458 1.806 -5.227 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.168 3.429 -5.056 1.00 7.36 H new ATOM 0 HD11 ILE A 36 6.301 6.138 -3.765 1.00 9.49 H new ATOM 0 HD12 ILE A 36 5.712 4.466 -3.612 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.439 4.826 -3.380 1.00 9.49 H new ATOM 582 N PRO A 37 8.503 1.066 -7.789 1.00 8.65 N ATOM 583 CA PRO A 37 8.367 -0.285 -8.247 1.00 9.18 C ATOM 584 C PRO A 37 7.920 -1.195 -7.155 1.00 9.85 C ATOM 585 O PRO A 37 8.259 -0.936 -6.002 1.00 8.51 O ATOM 586 CB PRO A 37 9.776 -0.673 -8.689 1.00 11.42 C ATOM 587 CG PRO A 37 10.785 0.290 -8.044 1.00 9.27 C ATOM 588 CD PRO A 37 9.875 1.525 -7.941 1.00 8.33 C ATOM 0 HA PRO A 37 7.622 -0.366 -9.039 1.00 9.18 H new ATOM 0 HB2 PRO A 37 9.994 -1.700 -8.394 1.00 11.42 H new ATOM 0 HB3 PRO A 37 9.855 -0.630 -9.775 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.142 -0.056 -7.074 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.665 0.461 -8.665 1.00 9.27 H new ATOM 0 HD2 PRO A 37 10.166 2.142 -7.091 1.00 8.33 H new ATOM 0 HD3 PRO A 37 9.972 2.144 -8.833 1.00 8.33 H new ATOM 596 N PRO A 38 7.283 -2.275 -7.498 1.00 8.71 N ATOM 597 CA PRO A 38 6.921 -3.253 -6.514 1.00 9.08 C ATOM 598 C PRO A 38 8.124 -3.872 -5.891 1.00 9.28 C ATOM 599 O PRO A 38 7.984 -4.557 -4.879 1.00 6.50 O ATOM 600 CB PRO A 38 5.866 -4.132 -7.182 1.00 10.31 C ATOM 601 CG PRO A 38 6.158 -3.995 -8.685 1.00 10.81 C ATOM 602 CD PRO A 38 6.607 -2.526 -8.761 1.00 12.00 C ATOM 0 HA PRO A 38 6.450 -2.859 -5.614 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.945 -5.168 -6.854 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.857 -3.797 -6.940 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.935 -4.682 -9.019 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.277 -4.190 -9.296 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.275 -2.360 -9.606 1.00 12.00 H new ATOM 0 HD3 PRO A 38 5.755 -1.859 -8.892 1.00 12.00 H new ATOM 610 N ASP A 39 9.353 -3.740 -6.423 1.00 11.20 N ATOM 611 CA ASP A 39 10.546 -4.255 -5.827 1.00 14.96 C ATOM 612 C ASP A 39 10.919 -3.582 -4.551 1.00 13.99 C ATOM 613 O ASP A 39 11.527 -4.108 -3.620 1.00 13.75 O ATOM 614 CB ASP A 39 11.696 -4.007 -6.818 1.00 24.16 C ATOM 615 CG ASP A 39 11.438 -4.448 -8.252 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.185 -5.656 -8.504 1.00 35.55 O ATOM 617 OD2 ASP A 39 11.411 -3.563 -9.148 1.00 34.22 O ATOM 0 H ASP A 39 9.522 -3.255 -7.304 1.00 11.20 H new ATOM 0 HA ASP A 39 10.369 -5.308 -5.605 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.925 -2.941 -6.821 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.584 -4.523 -6.453 1.00 24.16 H new ATOM 622 N GLN A 40 10.632 -2.270 -4.484 1.00 11.60 N ATOM 623 CA GLN A 40 11.151 -1.344 -3.525 1.00 10.76 C ATOM 624 C GLN A 40 10.161 -1.196 -2.422 1.00 8.01 C ATOM 625 O GLN A 40 10.562 -1.095 -1.264 1.00 8.96 O ATOM 626 CB GLN A 40 11.555 -0.011 -4.179 1.00 11.14 C ATOM 627 CG GLN A 40 12.835 -0.143 -5.006 1.00 14.85 C ATOM 628 CD GLN A 40 13.330 1.195 -5.536 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.625 1.885 -6.272 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.604 1.511 -5.180 1.00 18.16 N ATOM 0 H GLN A 40 9.994 -1.827 -5.145 1.00 11.60 H new ATOM 0 HA GLN A 40 12.076 -1.729 -3.096 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.745 0.339 -4.818 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.699 0.743 -3.405 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.614 -0.597 -4.393 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.654 -0.817 -5.843 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.130 0.891 -4.565 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.033 2.368 -5.528 1.00 18.16 H new ATOM 639 N GLN A 41 8.854 -1.195 -2.739 1.00 6.52 N ATOM 640 CA GLN A 41 7.939 -0.970 -1.664 1.00 3.87 C ATOM 641 C GLN A 41 7.711 -2.100 -0.720 1.00 4.79 C ATOM 642 O GLN A 41 7.510 -3.240 -1.137 1.00 6.34 O ATOM 643 CB GLN A 41 6.531 -0.678 -2.211 1.00 4.20 C ATOM 644 CG GLN A 41 6.378 0.409 -3.276 1.00 3.20 C ATOM 645 CD GLN A 41 5.021 0.328 -3.961 1.00 4.89 C ATOM 646 OE1 GLN A 41 3.993 0.372 -3.287 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.017 0.098 -5.302 1.00 7.13 N ATOM 0 H GLN A 41 8.452 -1.338 -3.665 1.00 6.52 H new ATOM 0 HA GLN A 41 8.422 -0.152 -1.130 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.136 -1.606 -2.624 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.896 -0.409 -1.367 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.497 1.390 -2.816 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.169 0.307 -4.019 1.00 3.20 H new ATOM 0 HE21 GLN A 41 5.897 0.071 -5.817 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.134 -0.047 -5.792 1.00 7.13 H new ATOM 656 N ARG A 42 7.664 -1.860 0.603 1.00 5.73 N ATOM 657 CA ARG A 42 7.097 -2.725 1.590 1.00 6.97 C ATOM 658 C ARG A 42 6.033 -1.868 2.186 1.00 7.15 C ATOM 659 O ARG A 42 6.167 -0.681 2.481 1.00 7.33 O ATOM 660 CB ARG A 42 8.086 -3.319 2.607 1.00 13.23 C ATOM 661 CG ARG A 42 7.548 -4.063 3.830 1.00 21.27 C ATOM 662 CD ARG A 42 8.671 -4.521 4.762 1.00 26.14 C ATOM 663 NE ARG A 42 9.504 -5.527 4.045 1.00 32.26 N ATOM 664 CZ ARG A 42 10.841 -5.721 4.236 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.688 -5.104 5.112 1.00 35.30 N ATOM 666 NH2 ARG A 42 11.357 -6.637 3.365 1.00 36.39 N ATOM 0 H ARG A 42 8.047 -1.006 1.008 1.00 5.73 H new ATOM 0 HA ARG A 42 6.717 -3.651 1.158 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.738 -4.006 2.067 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.712 -2.504 2.969 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.865 -3.414 4.378 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.972 -4.929 3.503 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.282 -3.670 5.064 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.255 -4.954 5.672 1.00 26.14 H new ATOM 0 HE ARG A 42 9.038 -6.118 3.357 1.00 32.26 H new ATOM 0 HH11 ARG A 42 11.334 -4.385 5.743 1.00 35.30 H new ATOM 0 HH12 ARG A 42 12.674 -5.362 5.135 1.00 35.30 H new ATOM 0 HH21 ARG A 42 10.751 -7.084 2.677 1.00 36.39 H new ATOM 0 HH22 ARG A 42 12.348 -6.874 3.402 1.00 36.39 H new ATOM 680 N LEU A 43 4.832 -2.454 2.337 1.00 4.65 N ATOM 681 CA LEU A 43 3.718 -1.754 2.897 1.00 3.51 C ATOM 682 C LEU A 43 3.492 -2.337 4.250 1.00 5.56 C ATOM 683 O LEU A 43 3.533 -3.563 4.350 1.00 4.19 O ATOM 684 CB LEU A 43 2.371 -1.759 2.156 1.00 3.74 C ATOM 685 CG LEU A 43 2.502 -1.066 0.789 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.514 -1.521 -0.299 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.524 0.459 0.983 1.00 9.55 C ATOM 0 H LEU A 43 4.632 -3.418 2.070 1.00 4.65 H new ATOM 0 HA LEU A 43 4.013 -0.705 2.857 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.029 -2.785 2.018 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.617 -1.250 2.757 1.00 3.74 H new ATOM 0 HG LEU A 43 3.456 -1.395 0.377 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.702 -0.964 -1.217 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.646 -2.586 -0.488 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.493 -1.336 0.036 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.617 0.948 0.013 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.599 0.778 1.463 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.372 0.734 1.610 1.00 9.55 H new ATOM 699 N ILE A 44 3.133 -1.581 5.302 1.00 4.58 N ATOM 700 CA ILE A 44 3.048 -1.912 6.691 1.00 5.55 C ATOM 701 C ILE A 44 1.662 -1.505 7.058 1.00 5.46 C ATOM 702 O ILE A 44 1.162 -0.472 6.617 1.00 6.04 O ATOM 703 CB ILE A 44 4.153 -1.298 7.498 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.427 -2.029 7.044 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.971 -1.309 9.026 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.757 -1.516 7.595 1.00 13.90 C ATOM 0 H ILE A 44 2.868 -0.607 5.153 1.00 4.58 H new ATOM 0 HA ILE A 44 3.203 -2.969 6.907 1.00 5.55 H new ATOM 0 HB ILE A 44 4.185 -0.225 7.306 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.330 -3.080 7.318 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.472 -1.986 5.956 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.833 -0.838 9.499 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.068 -0.758 9.289 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.883 -2.338 9.375 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.573 -2.119 7.196 1.00 13.90 H new ATOM 0 HD12 ILE A 44 6.896 -0.476 7.300 1.00 13.90 H new ATOM 0 HD13 ILE A 44 6.752 -1.587 8.683 1.00 13.90 H new ATOM 718 N PHE A 45 0.977 -2.337 7.864 1.00 6.75 N ATOM 719 CA PHE A 45 -0.168 -1.881 8.589 1.00 4.70 C ATOM 720 C PHE A 45 0.013 -2.052 10.058 1.00 6.34 C ATOM 721 O PHE A 45 0.243 -3.141 10.582 1.00 5.45 O ATOM 722 CB PHE A 45 -1.386 -2.671 8.082 1.00 5.51 C ATOM 723 CG PHE A 45 -2.733 -2.231 8.541 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.042 -0.920 8.815 1.00 5.87 C ATOM 725 CD2 PHE A 45 -3.737 -3.151 8.733 1.00 6.86 C ATOM 726 CE1 PHE A 45 -4.307 -0.475 9.119 1.00 6.64 C ATOM 727 CE2 PHE A 45 -5.038 -2.770 8.967 1.00 6.68 C ATOM 728 CZ PHE A 45 -5.284 -1.439 9.205 1.00 6.84 C ATOM 0 H PHE A 45 1.214 -3.318 8.013 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.315 -0.814 8.421 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.376 -2.641 6.992 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.256 -3.713 8.374 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.242 -0.195 8.790 1.00 5.87 H new ATOM 0 HD2 PHE A 45 -3.497 -4.203 8.699 1.00 6.86 H new ATOM 0 HE1 PHE A 45 -4.521 0.571 9.281 1.00 6.64 H new ATOM 0 HE2 PHE A 45 -5.840 -3.493 8.964 1.00 6.68 H new ATOM 0 HZ PHE A 45 -6.286 -1.137 9.471 1.00 6.84 H new ATOM 738 N ALA A 46 -0.062 -0.961 10.841 1.00 6.53 N ATOM 739 CA ALA A 46 0.203 -0.975 12.246 1.00 7.15 C ATOM 740 C ALA A 46 1.612 -1.288 12.614 1.00 9.00 C ATOM 741 O ALA A 46 2.335 -0.327 12.872 1.00 11.15 O ATOM 742 CB ALA A 46 -0.777 -1.922 12.960 1.00 8.99 C ATOM 0 H ALA A 46 -0.315 -0.039 10.485 1.00 6.53 H new ATOM 0 HA ALA A 46 0.048 0.049 12.587 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.566 -1.925 14.029 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.799 -1.582 12.793 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.661 -2.931 12.565 1.00 8.99 H new ATOM 748 N GLY A 47 2.127 -2.531 12.621 1.00 9.35 N ATOM 749 CA GLY A 47 3.461 -2.872 13.007 1.00 11.68 C ATOM 750 C GLY A 47 3.937 -4.066 12.253 1.00 11.14 C ATOM 751 O GLY A 47 5.074 -4.523 12.360 1.00 13.93 O ATOM 0 H GLY A 47 1.580 -3.345 12.341 1.00 9.35 H new ATOM 0 HA2 GLY A 47 4.126 -2.029 12.820 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.495 -3.074 14.078 1.00 11.68 H new ATOM 755 N LYS A 48 2.993 -4.617 11.469 1.00 10.47 N ATOM 756 CA LYS A 48 3.076 -5.834 10.722 1.00 8.82 C ATOM 757 C LYS A 48 3.058 -5.607 9.250 1.00 7.68 C ATOM 758 O LYS A 48 2.420 -4.656 8.802 1.00 6.47 O ATOM 759 CB LYS A 48 1.981 -6.815 11.174 1.00 9.74 C ATOM 760 CG LYS A 48 1.944 -8.277 10.725 1.00 14.14 C ATOM 761 CD LYS A 48 0.695 -9.065 11.125 1.00 16.32 C ATOM 762 CE LYS A 48 -0.588 -8.615 10.423 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.732 -9.130 11.207 1.00 23.92 N ATOM 0 H LYS A 48 2.086 -4.166 11.348 1.00 10.47 H new ATOM 0 HA LYS A 48 4.044 -6.287 10.935 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.003 -6.825 12.264 1.00 9.74 H new ATOM 0 HB3 LYS A 48 1.028 -6.375 10.879 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.037 -8.306 9.639 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.817 -8.785 11.134 1.00 14.14 H new ATOM 0 HD2 LYS A 48 0.862 -10.120 10.909 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.555 -8.978 12.202 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.627 -7.528 10.358 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.620 -8.997 9.403 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.622 -8.840 10.754 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -1.686 -10.168 11.247 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.693 -8.744 12.172 1.00 23.92 H new ATOM 777 N GLN A 49 3.772 -6.424 8.455 1.00 8.89 N ATOM 778 CA GLN A 49 4.004 -6.261 7.053 1.00 7.18 C ATOM 779 C GLN A 49 2.928 -6.931 6.270 1.00 8.23 C ATOM 780 O GLN A 49 2.275 -7.838 6.785 1.00 9.70 O ATOM 781 CB GLN A 49 5.373 -6.817 6.627 1.00 11.67 C ATOM 782 CG GLN A 49 6.577 -6.277 7.402 1.00 15.82 C ATOM 783 CD GLN A 49 7.879 -7.017 7.132 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.838 -8.081 6.516 1.00 23.23 O ATOM 785 NE2 GLN A 49 9.001 -6.372 7.550 1.00 20.67 N ATOM 0 H GLN A 49 4.221 -7.263 8.822 1.00 8.89 H new ATOM 0 HA GLN A 49 3.997 -5.191 6.848 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.353 -7.902 6.732 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.519 -6.602 5.568 1.00 11.67 H new ATOM 0 HG2 GLN A 49 6.712 -5.225 7.153 1.00 15.82 H new ATOM 0 HG3 GLN A 49 6.359 -6.326 8.469 1.00 15.82 H new ATOM 0 HE21 GLN A 49 8.923 -5.490 8.056 1.00 20.67 H new ATOM 0 HE22 GLN A 49 9.920 -6.770 7.357 1.00 20.67 H new ATOM 794 N LEU A 50 2.815 -6.385 5.046 1.00 6.51 N ATOM 795 CA LEU A 50 1.693 -6.772 4.248 1.00 7.41 C ATOM 796 C LEU A 50 2.215 -7.420 3.012 1.00 8.27 C ATOM 797 O LEU A 50 3.047 -6.876 2.287 1.00 8.34 O ATOM 798 CB LEU A 50 0.891 -5.545 3.782 1.00 7.13 C ATOM 799 CG LEU A 50 0.101 -4.736 4.825 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.439 -3.484 4.114 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.054 -5.557 5.422 1.00 8.14 C ATOM 0 H LEU A 50 3.459 -5.714 4.626 1.00 6.51 H new ATOM 0 HA LEU A 50 1.058 -7.428 4.843 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.586 -4.863 3.293 1.00 7.13 H new ATOM 0 HB3 LEU A 50 0.186 -5.881 3.022 1.00 7.13 H new ATOM 0 HG LEU A 50 0.752 -4.465 5.656 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.008 -2.881 4.822 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.394 -2.899 3.725 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.087 -3.784 3.290 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.589 -4.953 6.155 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.738 -5.854 4.627 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.654 -6.447 5.908 1.00 8.14 H new ATOM 813 N GLU A 51 1.772 -8.638 2.655 1.00 9.43 N ATOM 814 CA GLU A 51 2.320 -9.414 1.586 1.00 11.90 C ATOM 815 C GLU A 51 1.464 -9.384 0.366 1.00 11.49 C ATOM 816 O GLU A 51 0.282 -9.047 0.420 1.00 9.88 O ATOM 817 CB GLU A 51 2.356 -10.836 2.169 1.00 16.56 C ATOM 818 CG GLU A 51 3.252 -11.922 1.571 1.00 26.06 C ATOM 819 CD GLU A 51 4.736 -11.601 1.472 1.00 29.86 C ATOM 820 OE1 GLU A 51 5.289 -10.642 0.869 1.00 32.13 O ATOM 821 OE2 GLU A 51 5.447 -12.512 1.975 1.00 33.44 O ATOM 0 H GLU A 51 0.999 -9.102 3.132 1.00 9.43 H new ATOM 0 HA GLU A 51 3.291 -9.037 1.265 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.631 -10.741 3.219 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.335 -11.216 2.140 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.138 -12.826 2.169 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.886 -12.154 0.571 1.00 26.06 H new ATOM 828 N ASP A 52 1.959 -9.799 -0.813 1.00 12.71 N ATOM 829 CA ASP A 52 1.381 -9.363 -2.046 1.00 16.56 C ATOM 830 C ASP A 52 0.027 -9.928 -2.310 1.00 15.83 C ATOM 831 O ASP A 52 -0.912 -9.150 -2.466 1.00 17.21 O ATOM 832 CB ASP A 52 2.283 -9.826 -3.202 1.00 21.05 C ATOM 833 CG ASP A 52 3.567 -9.011 -3.259 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.470 -7.824 -3.670 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.641 -9.425 -2.745 1.00 28.37 O ATOM 0 H ASP A 52 2.753 -10.431 -0.913 1.00 12.71 H new ATOM 0 HA ASP A 52 1.290 -8.279 -1.973 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.525 -10.882 -3.078 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.746 -9.731 -4.146 1.00 21.05 H new ATOM 840 N GLY A 53 -0.074 -11.268 -2.349 1.00 15.00 N ATOM 841 CA GLY A 53 -1.255 -11.903 -2.847 1.00 11.77 C ATOM 842 C GLY A 53 -2.296 -12.213 -1.827 1.00 11.10 C ATOM 843 O GLY A 53 -3.000 -13.205 -2.006 1.00 11.25 O ATOM 0 H GLY A 53 0.656 -11.909 -2.038 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.698 -11.261 -3.609 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.967 -12.831 -3.340 1.00 11.77 H new ATOM 847 N ARG A 54 -2.427 -11.416 -0.751 1.00 8.53 N ATOM 848 CA ARG A 54 -3.583 -11.317 0.084 1.00 9.05 C ATOM 849 C ARG A 54 -4.346 -10.047 -0.077 1.00 8.96 C ATOM 850 O ARG A 54 -3.795 -9.076 -0.592 1.00 11.60 O ATOM 851 CB ARG A 54 -3.094 -11.464 1.535 1.00 7.97 C ATOM 852 CG ARG A 54 -2.319 -12.722 1.932 1.00 9.62 C ATOM 853 CD ARG A 54 -2.156 -12.864 3.447 1.00 12.20 C ATOM 854 NE ARG A 54 -0.886 -13.628 3.604 1.00 18.23 N ATOM 855 CZ ARG A 54 -0.239 -13.749 4.799 1.00 22.08 C ATOM 856 NH1 ARG A 54 -0.824 -13.397 5.981 1.00 23.38 N ATOM 857 NH2 ARG A 54 0.903 -14.494 4.725 1.00 25.50 N ATOM 0 H ARG A 54 -1.674 -10.800 -0.445 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.284 -12.101 -0.202 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.462 -10.604 1.758 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.966 -11.396 2.185 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.835 -13.599 1.543 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.334 -12.699 1.466 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.099 -11.891 3.935 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.998 -13.395 3.891 1.00 12.20 H new ATOM 0 HE ARG A 54 -0.483 -14.080 2.783 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -1.776 -13.030 5.990 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -0.310 -13.501 6.856 1.00 23.38 H new ATOM 0 HH21 ARG A 54 1.193 -14.896 3.833 1.00 25.50 H new ATOM 0 HH22 ARG A 54 1.466 -14.649 5.561 1.00 25.50 H new ATOM 871 N THR A 55 -5.617 -9.959 0.355 1.00 9.05 N ATOM 872 CA THR A 55 -6.438 -8.825 0.065 1.00 9.03 C ATOM 873 C THR A 55 -6.300 -7.867 1.197 1.00 8.15 C ATOM 874 O THR A 55 -5.651 -8.111 2.213 1.00 5.91 O ATOM 875 CB THR A 55 -7.882 -9.092 -0.241 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.650 -9.509 0.878 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.936 -10.294 -1.200 1.00 11.71 C ATOM 0 H THR A 55 -6.079 -10.680 0.910 1.00 9.05 H new ATOM 0 HA THR A 55 -6.071 -8.418 -0.877 1.00 9.03 H new ATOM 0 HB THR A 55 -8.286 -8.156 -0.626 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.398 -10.423 1.125 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.974 -10.518 -1.445 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.391 -10.056 -2.113 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.481 -11.162 -0.722 1.00 11.71 H new ATOM 885 N LEU A 56 -6.906 -6.680 1.015 1.00 6.91 N ATOM 886 CA LEU A 56 -7.034 -5.697 2.046 1.00 8.29 C ATOM 887 C LEU A 56 -7.914 -6.199 3.138 1.00 8.05 C ATOM 888 O LEU A 56 -7.508 -6.210 4.299 1.00 10.17 O ATOM 889 CB LEU A 56 -7.478 -4.394 1.360 1.00 6.60 C ATOM 890 CG LEU A 56 -6.498 -3.866 0.298 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.240 -3.005 -0.738 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.352 -3.101 0.982 1.00 9.85 C ATOM 0 H LEU A 56 -7.318 -6.396 0.126 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.097 -5.487 2.561 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.448 -4.557 0.891 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -7.617 -3.627 2.121 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.059 -4.704 -0.243 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.532 -2.640 -1.482 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.005 -3.606 -1.230 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.710 -2.158 -0.238 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.661 -2.729 0.226 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.760 -2.262 1.545 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -4.822 -3.770 1.661 1.00 9.85 H new ATOM 904 N SER A 57 -9.049 -6.821 2.772 1.00 8.92 N ATOM 905 CA SER A 57 -9.895 -7.336 3.804 1.00 9.00 C ATOM 906 C SER A 57 -9.342 -8.425 4.658 1.00 9.44 C ATOM 907 O SER A 57 -9.712 -8.608 5.816 1.00 10.91 O ATOM 908 CB SER A 57 -11.122 -8.021 3.181 1.00 10.32 C ATOM 909 OG SER A 57 -11.931 -7.022 2.577 1.00 13.59 O ATOM 0 H SER A 57 -9.370 -6.963 1.814 1.00 8.92 H new ATOM 0 HA SER A 57 -10.074 -6.446 4.408 1.00 9.00 H new ATOM 0 HB2 SER A 57 -10.811 -8.757 2.440 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.686 -8.557 3.944 1.00 10.32 H new ATOM 0 HG SER A 57 -12.719 -7.440 2.172 1.00 13.59 H new ATOM 915 N ASP A 58 -8.475 -9.297 4.113 1.00 9.11 N ATOM 916 CA ASP A 58 -7.782 -10.295 4.867 1.00 7.91 C ATOM 917 C ASP A 58 -6.906 -9.902 6.006 1.00 9.12 C ATOM 918 O ASP A 58 -6.996 -10.469 7.094 1.00 8.61 O ATOM 919 CB ASP A 58 -6.883 -11.186 3.992 1.00 8.41 C ATOM 920 CG ASP A 58 -7.513 -12.015 2.882 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.977 -13.094 3.336 1.00 11.70 O ATOM 922 OD2 ASP A 58 -7.502 -11.726 1.655 1.00 10.05 O ATOM 0 H ASP A 58 -8.249 -9.308 3.118 1.00 9.11 H new ATOM 0 HA ASP A 58 -8.660 -10.784 5.290 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.130 -10.544 3.535 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.356 -11.872 4.655 1.00 8.41 H new ATOM 927 N TYR A 59 -6.125 -8.832 5.767 1.00 7.97 N ATOM 928 CA TYR A 59 -5.466 -8.084 6.792 1.00 8.45 C ATOM 929 C TYR A 59 -6.381 -7.272 7.642 1.00 10.98 C ATOM 930 O TYR A 59 -5.891 -6.692 8.609 1.00 12.95 O ATOM 931 CB TYR A 59 -4.456 -7.193 6.049 1.00 7.94 C ATOM 932 CG TYR A 59 -3.299 -8.016 5.597 1.00 6.91 C ATOM 933 CD1 TYR A 59 -2.550 -8.662 6.553 1.00 6.98 C ATOM 934 CD2 TYR A 59 -2.964 -8.145 4.270 1.00 4.59 C ATOM 935 CE1 TYR A 59 -1.461 -9.395 6.144 1.00 6.52 C ATOM 936 CE2 TYR A 59 -1.883 -8.883 3.849 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.092 -9.450 4.820 1.00 6.76 C ATOM 938 OH TYR A 59 0.104 -10.133 4.515 1.00 7.63 O ATOM 0 H TYR A 59 -5.947 -8.476 4.828 1.00 7.97 H new ATOM 0 HA TYR A 59 -4.994 -8.763 7.502 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -4.935 -6.720 5.192 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -4.112 -6.392 6.704 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -2.811 -8.595 7.599 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -3.573 -7.648 3.530 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -0.884 -9.939 6.877 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -1.664 -9.012 2.799 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.061 -10.774 3.792 1.00 7.63 H new ATOM 948 N ASN A 60 -7.649 -7.067 7.242 1.00 12.38 N ATOM 949 CA ASN A 60 -8.632 -6.198 7.811 1.00 13.94 C ATOM 950 C ASN A 60 -8.338 -4.747 7.642 1.00 14.16 C ATOM 951 O ASN A 60 -8.659 -3.972 8.542 1.00 14.26 O ATOM 952 CB ASN A 60 -9.044 -6.561 9.247 1.00 19.23 C ATOM 953 CG ASN A 60 -9.489 -8.017 9.232 1.00 22.65 C ATOM 954 OD1 ASN A 60 -8.869 -8.936 9.765 1.00 25.45 O ATOM 955 ND2 ASN A 60 -10.685 -8.319 8.658 1.00 24.09 N ATOM 0 H ASN A 60 -8.022 -7.565 6.434 1.00 12.38 H new ATOM 0 HA ASN A 60 -9.518 -6.385 7.204 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -8.210 -6.421 9.934 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -9.852 -5.915 9.591 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.034 -9.277 8.681 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.232 -7.587 8.205 1.00 24.09 H new ATOM 962 N ILE A 61 -7.803 -4.405 6.456 1.00 11.08 N ATOM 963 CA ILE A 61 -7.727 -3.073 5.942 1.00 11.78 C ATOM 964 C ILE A 61 -9.035 -2.670 5.352 1.00 13.74 C ATOM 965 O ILE A 61 -9.578 -3.357 4.489 1.00 14.60 O ATOM 966 CB ILE A 61 -6.607 -3.087 4.944 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.288 -3.319 5.700 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.536 -1.704 4.277 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.119 -3.603 4.758 1.00 11.42 C ATOM 0 H ILE A 61 -7.402 -5.096 5.822 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.524 -2.333 6.716 1.00 11.78 H new ATOM 0 HB ILE A 61 -6.769 -3.867 4.200 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.059 -2.441 6.304 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -5.409 -4.156 6.387 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.727 -1.693 3.547 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.480 -1.493 3.775 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.350 -0.943 5.035 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.212 -3.760 5.341 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -4.333 -4.497 4.172 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -3.978 -2.755 4.088 1.00 11.42 H new ATOM 981 N GLN A 62 -9.622 -1.511 5.700 1.00 13.97 N ATOM 982 CA GLN A 62 -10.974 -1.088 5.500 1.00 15.52 C ATOM 983 C GLN A 62 -10.971 0.292 4.939 1.00 13.94 C ATOM 984 O GLN A 62 -9.960 0.874 4.548 1.00 12.15 O ATOM 985 CB GLN A 62 -11.751 -1.201 6.823 1.00 19.53 C ATOM 986 CG GLN A 62 -11.023 -0.511 7.978 1.00 26.38 C ATOM 987 CD GLN A 62 -11.902 -0.322 9.206 1.00 30.61 C ATOM 988 OE1 GLN A 62 -12.794 0.521 9.285 1.00 33.23 O ATOM 989 NE2 GLN A 62 -11.669 -1.067 10.320 1.00 32.71 N ATOM 0 H GLN A 62 -9.083 -0.788 6.177 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.483 -1.730 4.782 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.739 -0.758 6.702 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -11.901 -2.253 7.066 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -10.147 -1.100 8.252 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -10.662 0.461 7.643 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -10.941 -1.781 10.313 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.222 -0.911 11.163 1.00 32.71 H new ATOM 998 N LYS A 63 -12.137 0.944 4.787 1.00 11.73 N ATOM 999 CA LYS A 63 -12.227 2.319 4.403 1.00 11.97 C ATOM 1000 C LYS A 63 -11.648 3.208 5.449 1.00 10.41 C ATOM 1001 O LYS A 63 -11.812 3.057 6.659 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.665 2.788 4.124 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.605 2.863 5.328 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.953 3.222 4.699 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.173 2.912 5.568 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.295 1.456 5.800 1.00 25.97 N ATOM 0 H LYS A 63 -13.044 0.502 4.935 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.659 2.389 3.475 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.619 3.776 3.666 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.106 2.116 3.388 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.650 1.914 5.863 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.282 3.618 6.045 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.955 4.286 4.462 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.052 2.685 3.755 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.087 3.431 6.523 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -18.075 3.285 5.083 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.245 1.241 6.165 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.145 0.948 4.905 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.581 1.154 6.493 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.895 4.138 4.835 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.007 5.089 5.428 1.00 10.94 C ATOM 1022 C GLU A 64 -8.967 4.468 6.296 1.00 9.74 C ATOM 1023 O GLU A 64 -8.658 4.878 7.414 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.665 6.233 6.218 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.531 7.066 5.271 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.457 8.043 5.982 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.962 8.810 6.851 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -13.669 8.136 5.652 1.00 31.72 O ATOM 0 H GLU A 64 -10.912 4.231 3.819 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.550 5.529 4.541 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.274 5.829 7.026 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.901 6.860 6.677 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.882 7.622 4.595 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.130 6.394 4.656 1.00 24.16 H new ATOM 1035 N SER A 65 -8.200 3.484 5.795 1.00 6.85 N ATOM 1036 CA SER A 65 -7.233 2.868 6.649 1.00 6.90 C ATOM 1037 C SER A 65 -5.896 3.493 6.444 1.00 4.72 C ATOM 1038 O SER A 65 -5.703 3.931 5.311 1.00 3.91 O ATOM 1039 CB SER A 65 -7.029 1.388 6.285 1.00 7.28 C ATOM 1040 OG SER A 65 -8.257 0.740 6.584 1.00 10.56 O ATOM 0 H SER A 65 -8.243 3.126 4.841 1.00 6.85 H new ATOM 0 HA SER A 65 -7.604 2.986 7.667 1.00 6.90 H new ATOM 0 HB2 SER A 65 -6.775 1.277 5.231 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.209 0.954 6.858 1.00 7.28 H new ATOM 0 HG SER A 65 -8.962 1.091 6.001 1.00 10.56 H new ATOM 1046 N THR A 66 -5.043 3.513 7.484 1.00 4.48 N ATOM 1047 CA THR A 66 -3.783 4.185 7.412 1.00 3.80 C ATOM 1048 C THR A 66 -2.713 3.163 7.237 1.00 4.60 C ATOM 1049 O THR A 66 -2.474 2.394 8.167 1.00 5.33 O ATOM 1050 CB THR A 66 -3.482 5.086 8.573 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.272 6.266 8.566 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.091 5.695 8.329 1.00 3.40 C ATOM 0 H THR A 66 -5.228 3.061 8.380 1.00 4.48 H new ATOM 0 HA THR A 66 -3.828 4.858 6.556 1.00 3.80 H new ATOM 0 HB THR A 66 -3.623 4.486 9.472 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.041 6.819 9.341 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.835 6.359 9.155 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.351 4.897 8.262 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.100 6.261 7.398 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.071 3.120 6.056 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.974 2.247 5.774 1.00 3.85 C ATOM 1062 C LEU A 67 0.289 3.027 5.901 1.00 3.80 C ATOM 1063 O LEU A 67 0.280 4.257 5.935 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.125 1.597 4.388 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.394 0.783 4.082 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.209 -0.169 2.888 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.905 0.108 5.366 1.00 8.12 C ATOM 0 H LEU A 67 -2.325 3.716 5.268 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.954 1.425 6.489 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.054 2.390 3.643 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.268 0.940 4.237 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.181 1.461 3.751 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.134 -0.719 2.715 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -1.958 0.408 1.998 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.404 -0.871 3.104 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.804 -0.467 5.142 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.136 -0.558 5.757 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.138 0.870 6.110 1.00 8.12 H new ATOM 1079 N HIS A 68 1.443 2.352 6.042 1.00 2.94 N ATOM 1080 CA HIS A 68 2.720 2.992 5.971 1.00 4.17 C ATOM 1081 C HIS A 68 3.572 2.386 4.910 1.00 5.32 C ATOM 1082 O HIS A 68 3.768 1.174 4.828 1.00 7.70 O ATOM 1083 CB HIS A 68 3.564 2.816 7.245 1.00 5.57 C ATOM 1084 CG HIS A 68 4.923 3.451 7.244 1.00 9.95 C ATOM 1085 ND1 HIS A 68 5.197 4.763 6.915 1.00 13.74 N ATOM 1086 CD2 HIS A 68 6.076 2.987 7.796 1.00 12.79 C ATOM 1087 CE1 HIS A 68 6.470 5.019 7.320 1.00 14.75 C ATOM 1088 NE2 HIS A 68 7.042 3.969 7.879 1.00 16.30 N ATOM 0 H HIS A 68 1.491 1.347 6.208 1.00 2.94 H new ATOM 0 HA HIS A 68 2.474 4.039 5.792 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.000 3.220 8.086 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.687 1.748 7.427 1.00 5.57 H new ATOM 0 HD1 HIS A 68 4.564 5.417 6.455 1.00 13.74 H new ATOM 0 HD2 HIS A 68 6.219 1.970 8.130 1.00 12.79 H new ATOM 0 HE1 HIS A 68 6.958 5.975 7.198 1.00 14.75 H new ATOM 1096 N LEU A 69 4.108 3.248 4.028 1.00 5.29 N ATOM 1097 CA LEU A 69 5.006 2.857 2.986 1.00 3.97 C ATOM 1098 C LEU A 69 6.444 2.980 3.356 1.00 5.07 C ATOM 1099 O LEU A 69 6.861 4.074 3.731 1.00 4.34 O ATOM 1100 CB LEU A 69 4.685 3.664 1.717 1.00 6.08 C ATOM 1101 CG LEU A 69 5.697 3.664 0.559 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.722 2.265 -0.080 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.108 4.621 -0.492 1.00 6.87 C ATOM 0 H LEU A 69 3.910 4.249 4.040 1.00 5.29 H new ATOM 0 HA LEU A 69 4.851 1.794 2.803 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.736 3.298 1.325 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.527 4.700 2.017 1.00 6.08 H new ATOM 0 HG LEU A 69 6.695 3.944 0.896 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.437 2.254 -0.903 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.017 1.529 0.668 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.729 2.020 -0.458 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.776 4.674 -1.351 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.133 4.254 -0.812 1.00 6.87 H new ATOM 0 HD23 LEU A 69 4.997 5.615 -0.058 1.00 6.87 H new ATOM 1115 N VAL A 70 7.195 1.866 3.287 1.00 4.29 N ATOM 1116 CA VAL A 70 8.607 1.912 3.509 1.00 6.26 C ATOM 1117 C VAL A 70 9.230 1.378 2.266 1.00 9.22 C ATOM 1118 O VAL A 70 8.573 0.778 1.416 1.00 9.36 O ATOM 1119 CB VAL A 70 9.183 1.115 4.642 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.624 1.845 5.874 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.807 -0.375 4.577 1.00 8.54 C ATOM 0 H VAL A 70 6.827 0.938 3.079 1.00 4.29 H new ATOM 0 HA VAL A 70 8.815 2.949 3.773 1.00 6.26 H new ATOM 0 HB VAL A 70 10.272 1.074 4.638 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.977 1.352 6.780 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.963 2.881 5.868 1.00 9.76 H new ATOM 0 HG13 VAL A 70 7.535 1.820 5.848 1.00 9.76 H new ATOM 0 HG21 VAL A 70 9.252 -0.900 5.422 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.723 -0.479 4.616 1.00 8.54 H new ATOM 0 HG23 VAL A 70 9.179 -0.804 3.647 1.00 8.54 H new ATOM 1131 N LEU A 71 10.492 1.740 1.975 1.00 12.71 N ATOM 1132 CA LEU A 71 11.313 1.218 0.927 1.00 16.06 C ATOM 1133 C LEU A 71 12.279 0.231 1.487 1.00 18.09 C ATOM 1134 O LEU A 71 13.179 0.561 2.257 1.00 19.26 O ATOM 1135 CB LEU A 71 12.068 2.324 0.171 1.00 17.10 C ATOM 1136 CG LEU A 71 11.024 3.287 -0.420 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.573 4.635 -0.918 1.00 19.57 C ATOM 1138 CD2 LEU A 71 10.125 2.779 -1.559 1.00 17.51 C ATOM 0 H LEU A 71 10.976 2.456 2.517 1.00 12.71 H new ATOM 0 HA LEU A 71 10.656 0.727 0.209 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.740 2.856 0.844 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.683 1.895 -0.620 1.00 17.10 H new ATOM 0 HG LEU A 71 10.425 3.394 0.484 1.00 19.37 H new ATOM 0 HD11 LEU A 71 10.755 5.237 -1.314 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.045 5.164 -0.090 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.309 4.461 -1.703 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.444 3.573 -1.867 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.744 2.483 -2.406 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.549 1.921 -1.213 1.00 17.51 H new ATOM 1150 N ARG A 72 12.132 -1.018 1.008 1.00 21.47 N ATOM 1151 CA ARG A 72 12.907 -2.177 1.324 1.00 25.83 C ATOM 1152 C ARG A 72 14.027 -2.312 0.351 1.00 27.74 C ATOM 1153 O ARG A 72 14.061 -1.644 -0.682 1.00 30.65 O ATOM 1154 CB ARG A 72 11.967 -3.395 1.348 1.00 28.49 C ATOM 1155 CG ARG A 72 11.450 -3.796 -0.035 1.00 31.79 C ATOM 1156 CD ARG A 72 10.855 -5.205 0.012 1.00 34.05 C ATOM 1157 NE ARG A 72 10.241 -5.491 -1.315 1.00 35.08 N ATOM 1158 CZ ARG A 72 9.129 -6.264 -1.483 1.00 34.67 C ATOM 1159 NH1 ARG A 72 8.558 -6.942 -0.445 1.00 35.02 N ATOM 1160 NH2 ARG A 72 8.388 -6.388 -2.623 1.00 34.97 N ATOM 0 H ARG A 72 11.398 -1.234 0.334 1.00 21.47 H new ATOM 0 HA ARG A 72 13.367 -2.095 2.309 1.00 25.83 H new ATOM 0 HB2 ARG A 72 12.493 -4.241 1.789 1.00 28.49 H new ATOM 0 HB3 ARG A 72 11.118 -3.175 1.995 1.00 28.49 H new ATOM 0 HG2 ARG A 72 10.694 -3.085 -0.369 1.00 31.79 H new ATOM 0 HG3 ARG A 72 12.263 -3.761 -0.760 1.00 31.79 H new ATOM 0 HD2 ARG A 72 11.629 -5.938 0.239 1.00 34.05 H new ATOM 0 HD3 ARG A 72 10.107 -5.276 0.801 1.00 34.05 H new ATOM 0 HE ARG A 72 10.676 -5.086 -2.144 1.00 35.08 H new ATOM 0 HH11 ARG A 72 8.962 -6.879 0.489 1.00 35.02 H new ATOM 0 HH12 ARG A 72 7.727 -7.512 -0.604 1.00 35.02 H new ATOM 0 HH21 ARG A 72 8.652 -5.871 -3.461 1.00 34.97 H new ATOM 0 HH22 ARG A 72 7.571 -6.998 -2.636 1.00 34.97 H new ATOM 1174 N LEU A 73 14.851 -3.348 0.587 1.00 28.93 N ATOM 1175 CA LEU A 73 15.704 -3.966 -0.380 1.00 30.76 C ATOM 1176 C LEU A 73 15.206 -5.345 -0.650 1.00 32.18 C ATOM 1177 O LEU A 73 14.157 -5.696 -0.112 1.00 32.31 O ATOM 1178 CB LEU A 73 17.187 -4.127 -0.008 1.00 30.53 C ATOM 1179 CG LEU A 73 17.873 -2.964 0.729 1.00 30.16 C ATOM 1180 CD1 LEU A 73 19.274 -3.474 1.107 1.00 29.11 C ATOM 1181 CD2 LEU A 73 17.886 -1.718 -0.172 1.00 29.57 C ATOM 0 H LEU A 73 14.926 -3.780 1.508 1.00 28.93 H new ATOM 0 HA LEU A 73 15.665 -3.280 -1.226 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.282 -5.018 0.612 1.00 30.53 H new ATOM 0 HB3 LEU A 73 17.744 -4.316 -0.926 1.00 30.53 H new ATOM 0 HG LEU A 73 17.350 -2.657 1.635 1.00 30.16 H new ATOM 0 HD11 LEU A 73 19.816 -2.690 1.636 1.00 29.11 H new ATOM 0 HD12 LEU A 73 19.181 -4.349 1.750 1.00 29.11 H new ATOM 0 HD13 LEU A 73 19.819 -3.744 0.203 1.00 29.11 H new ATOM 0 HD21 LEU A 73 18.372 -0.895 0.352 1.00 29.57 H new ATOM 0 HD22 LEU A 73 18.433 -1.938 -1.089 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.862 -1.436 -0.418 1.00 29.57 H new ATOM 1193 N ARG A 74 15.816 -6.103 -1.578 1.00 33.82 N ATOM 1194 CA ARG A 74 15.286 -7.367 -1.988 1.00 35.33 C ATOM 1195 C ARG A 74 15.350 -8.382 -0.900 1.00 36.22 C ATOM 1196 O ARG A 74 16.369 -8.505 -0.222 1.00 36.70 O ATOM 1197 CB ARG A 74 15.858 -7.927 -3.302 1.00 36.91 C ATOM 1198 CG ARG A 74 15.240 -9.229 -3.814 1.00 38.62 C ATOM 1199 CD ARG A 74 15.641 -9.352 -5.285 1.00 39.75 C ATOM 1200 NE ARG A 74 15.274 -10.719 -5.751 1.00 41.13 N ATOM 1201 CZ ARG A 74 14.115 -11.070 -6.381 1.00 41.91 C ATOM 1202 NH1 ARG A 74 13.261 -10.150 -6.917 1.00 42.75 N ATOM 1203 NH2 ARG A 74 13.676 -12.346 -6.585 1.00 41.93 N ATOM 0 H ARG A 74 16.682 -5.839 -2.048 1.00 33.82 H new ATOM 0 HA ARG A 74 14.240 -7.151 -2.205 1.00 35.33 H new ATOM 0 HB2 ARG A 74 15.743 -7.167 -4.075 1.00 36.91 H new ATOM 0 HB3 ARG A 74 16.928 -8.086 -3.168 1.00 36.91 H new ATOM 0 HG2 ARG A 74 15.603 -10.082 -3.241 1.00 38.62 H new ATOM 0 HG3 ARG A 74 14.155 -9.211 -3.708 1.00 38.62 H new ATOM 0 HD2 ARG A 74 15.132 -8.596 -5.883 1.00 39.75 H new ATOM 0 HD3 ARG A 74 16.711 -9.184 -5.403 1.00 39.75 H new ATOM 0 HE ARG A 74 15.952 -11.462 -5.584 1.00 41.13 H new ATOM 0 HH11 ARG A 74 13.479 -9.155 -6.855 1.00 42.75 H new ATOM 0 HH12 ARG A 74 12.405 -10.457 -7.379 1.00 42.75 H new ATOM 0 HH21 ARG A 74 14.231 -13.135 -6.254 1.00 41.93 H new ATOM 0 HH22 ARG A 74 12.793 -12.510 -7.068 1.00 41.93 H new ATOM 1217 N GLY A 75 14.286 -9.175 -0.680 1.00 36.31 N ATOM 1218 CA GLY A 75 14.208 -10.003 0.483 1.00 36.07 C ATOM 1219 C GLY A 75 12.780 -10.355 0.720 1.00 36.16 C ATOM 1220 O GLY A 75 12.217 -11.005 -0.160 1.00 36.26 O ATOM 0 H GLY A 75 13.483 -9.243 -1.305 1.00 36.31 H new ATOM 0 HA2 GLY A 75 14.803 -10.906 0.345 1.00 36.07 H new ATOM 0 HA3 GLY A 75 14.618 -9.481 1.348 1.00 36.07 H new ATOM 1224 N GLY A 76 12.206 -10.000 1.884 1.00 36.05 N ATOM 1225 CA GLY A 76 10.845 -10.283 2.221 1.00 36.19 C ATOM 1226 C GLY A 76 9.918 -9.244 1.607 1.00 36.20 C ATOM 1227 O GLY A 76 8.791 -9.565 1.144 1.00 36.13 O ATOM 1228 OXT GLY A 76 10.233 -8.024 1.594 1.00 36.27 O ATOM 0 H GLY A 76 12.708 -9.498 2.617 1.00 36.05 H new ATOM 0 HA2 GLY A 76 10.575 -11.277 1.864 1.00 36.19 H new ATOM 0 HA3 GLY A 76 10.726 -10.290 3.304 1.00 36.19 H new TER 1232 GLY A 76