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 Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.0051) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.95 (180deg=1.87) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -170:sc= 0.57 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= 1.12 (180deg=-0.403!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.01 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.531 USER MOD Single : A 25 ASN : amide:sc= -0.0503 X(o=-0.05,f=-0.29) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.05 (180deg=0.981) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0.553 (180deg=0.537) USER MOD Single : A 31 GLN : amide:sc= -0.336 K(o=-0.34,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= 0.14 K(o=0.14,f=-0.59) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.17 K(o=1.2,f=-6.3!) USER MOD Single : A 55 THR OG1 : rot -29:sc= 0.635 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.49 USER MOD Single : A 60 ASN : amide:sc= -0.0369 X(o=-0.037,f=0) 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 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -2.38 K(o=-2.4,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.702 3.722 -3.776 1.00 9.67 N ATOM 2 CA MET A 1 -12.345 4.405 -2.513 1.00 10.38 C ATOM 3 C MET A 1 -10.944 4.899 -2.392 1.00 9.62 C ATOM 4 O MET A 1 -10.131 4.661 -3.283 1.00 9.62 O ATOM 5 CB MET A 1 -12.616 3.524 -1.282 1.00 13.77 C ATOM 6 CG MET A 1 -11.690 2.341 -0.992 1.00 16.29 C ATOM 7 SD MET A 1 -12.394 1.185 0.221 1.00 17.17 S ATOM 8 CE MET A 1 -10.864 0.213 0.122 1.00 16.11 C ATOM 0 H1 MET A 1 -13.711 3.471 -3.762 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.515 4.356 -4.579 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.132 2.858 -3.877 1.00 9.67 H new ATOM 0 HA MET A 1 -12.995 5.279 -2.548 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.604 4.172 -0.406 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.629 3.132 -1.375 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.486 1.808 -1.921 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.735 2.714 -0.622 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.943 -0.657 0.773 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.708 -0.116 -0.905 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.021 0.828 0.439 1.00 16.11 H new ATOM 20 N GLN A 2 -10.601 5.623 -1.311 1.00 9.27 N ATOM 21 CA GLN A 2 -9.263 6.093 -1.131 1.00 9.07 C ATOM 22 C GLN A 2 -8.629 5.412 0.032 1.00 8.72 C ATOM 23 O GLN A 2 -9.371 5.057 0.947 1.00 8.22 O ATOM 24 CB GLN A 2 -9.280 7.630 -1.082 1.00 14.46 C ATOM 25 CG GLN A 2 -9.844 8.305 0.171 1.00 17.01 C ATOM 26 CD GLN A 2 -10.076 9.790 -0.065 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.174 10.556 0.271 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.210 10.156 -0.720 1.00 19.49 N ATOM 0 H GLN A 2 -11.247 5.882 -0.565 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.623 5.831 -1.974 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -8.256 7.979 -1.217 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.853 7.985 -1.939 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.782 7.828 0.454 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -9.153 8.169 1.003 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.909 9.453 -0.961 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.362 11.133 -0.970 1.00 19.49 H new ATOM 37 N ILE A 3 -7.311 5.144 0.048 1.00 5.87 N ATOM 38 CA ILE A 3 -6.518 4.863 1.204 1.00 5.07 C ATOM 39 C ILE A 3 -5.405 5.850 1.115 1.00 4.01 C ATOM 40 O ILE A 3 -4.977 6.312 0.058 1.00 4.61 O ATOM 41 CB ILE A 3 -6.029 3.450 1.324 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.364 2.723 0.143 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.288 2.662 1.721 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.674 1.405 0.491 1.00 10.83 C ATOM 0 H ILE A 3 -6.761 5.123 -0.811 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.114 4.959 2.111 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.190 3.501 2.018 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.122 2.528 -0.615 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.629 3.391 -0.306 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.036 1.608 1.835 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.676 3.047 2.664 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.046 2.772 0.945 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.238 0.974 -0.410 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.887 1.588 1.223 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.404 0.711 0.909 1.00 10.83 H new ATOM 56 N PHE A 4 -4.855 6.099 2.317 1.00 4.55 N ATOM 57 CA PHE A 4 -3.642 6.822 2.537 1.00 4.68 C ATOM 58 C PHE A 4 -2.434 5.980 2.764 1.00 5.30 C ATOM 59 O PHE A 4 -2.410 5.210 3.724 1.00 5.58 O ATOM 60 CB PHE A 4 -3.836 7.803 3.706 1.00 4.83 C ATOM 61 CG PHE A 4 -4.876 8.824 3.398 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.750 9.650 2.306 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.000 9.049 4.158 1.00 6.69 C ATOM 64 CE1 PHE A 4 -5.649 10.670 2.106 1.00 10.61 C ATOM 65 CE2 PHE A 4 -6.928 10.044 3.960 1.00 9.10 C ATOM 66 CZ PHE A 4 -6.762 10.884 2.884 1.00 8.90 C ATOM 0 H PHE A 4 -5.283 5.776 3.185 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.441 7.354 1.607 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.121 7.251 4.602 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.891 8.300 3.925 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.943 9.497 1.604 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.170 8.381 4.989 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -5.469 11.347 1.284 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -7.765 10.163 4.632 1.00 9.10 H new ATOM 0 HZ PHE A 4 -7.468 11.670 2.662 1.00 8.90 H new ATOM 76 N VAL A 5 -1.364 5.977 1.949 1.00 4.44 N ATOM 77 CA VAL A 5 -0.211 5.165 2.185 1.00 3.87 C ATOM 78 C VAL A 5 0.913 6.028 2.645 1.00 4.93 C ATOM 79 O VAL A 5 1.482 6.877 1.960 1.00 6.84 O ATOM 80 CB VAL A 5 0.269 4.469 0.946 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.617 3.760 1.158 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.809 3.444 0.552 1.00 9.13 C ATOM 0 H VAL A 5 -1.299 6.551 1.108 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.503 4.422 2.927 1.00 3.87 H new ATOM 0 HB VAL A 5 0.429 5.206 0.159 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.921 3.272 0.232 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.371 4.492 1.447 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.515 3.013 1.946 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.496 2.915 -0.348 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.946 2.730 1.364 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.750 3.961 0.361 1.00 9.13 H new ATOM 92 N LYS A 6 1.256 5.827 3.929 1.00 6.04 N ATOM 93 CA LYS A 6 2.183 6.643 4.650 1.00 6.12 C ATOM 94 C LYS A 6 3.576 6.129 4.523 1.00 6.57 C ATOM 95 O LYS A 6 3.912 5.034 4.971 1.00 5.76 O ATOM 96 CB LYS A 6 1.754 6.920 6.101 1.00 7.45 C ATOM 97 CG LYS A 6 2.484 8.037 6.850 1.00 11.12 C ATOM 98 CD LYS A 6 1.635 8.692 7.941 1.00 14.54 C ATOM 99 CE LYS A 6 1.450 7.931 9.255 1.00 18.84 C ATOM 100 NZ LYS A 6 2.607 8.161 10.149 1.00 20.55 N ATOM 0 H LYS A 6 0.872 5.065 4.488 1.00 6.04 H new ATOM 0 HA LYS A 6 2.173 7.625 4.177 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.690 7.156 6.098 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.875 5.998 6.670 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.390 7.631 7.300 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.796 8.799 6.136 1.00 11.12 H new ATOM 0 HD2 LYS A 6 2.078 9.660 8.174 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.647 8.886 7.525 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.532 8.256 9.745 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.343 6.865 9.054 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.468 7.639 11.038 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 3.476 7.829 9.684 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 2.690 9.177 10.354 1.00 20.55 H new ATOM 114 N THR A 7 4.490 6.860 3.861 1.00 7.41 N ATOM 115 CA THR A 7 5.859 6.448 3.846 1.00 7.48 C ATOM 116 C THR A 7 6.582 6.593 5.141 1.00 8.75 C ATOM 117 O THR A 7 6.115 7.238 6.078 1.00 8.58 O ATOM 118 CB THR A 7 6.626 6.867 2.627 1.00 9.61 C ATOM 119 OG1 THR A 7 6.989 8.236 2.726 1.00 11.78 O ATOM 120 CG2 THR A 7 5.765 6.658 1.369 1.00 9.17 C ATOM 0 H THR A 7 4.289 7.718 3.347 1.00 7.41 H new ATOM 0 HA THR A 7 5.795 5.365 3.737 1.00 7.48 H new ATOM 0 HB THR A 7 7.528 6.259 2.555 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.347 8.542 1.867 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.328 6.964 0.488 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.499 5.605 1.281 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.857 7.257 1.446 1.00 9.17 H new ATOM 128 N LEU A 8 7.820 6.069 5.191 1.00 9.84 N ATOM 129 CA LEU A 8 8.692 6.143 6.322 1.00 14.15 C ATOM 130 C LEU A 8 9.660 7.260 6.131 1.00 17.37 C ATOM 131 O LEU A 8 10.545 7.612 6.910 1.00 17.01 O ATOM 132 CB LEU A 8 9.324 4.775 6.627 1.00 16.63 C ATOM 133 CG LEU A 8 10.122 4.689 7.939 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.256 4.746 9.208 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.035 3.459 8.080 1.00 19.31 C ATOM 0 H LEU A 8 8.233 5.569 4.404 1.00 9.84 H new ATOM 0 HA LEU A 8 8.128 6.383 7.223 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.532 4.027 6.655 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.985 4.508 5.802 1.00 16.63 H new ATOM 0 HG LEU A 8 10.740 5.583 7.858 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.895 4.679 10.088 1.00 18.59 H new ATOM 0 HD12 LEU A 8 8.705 5.686 9.230 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.553 3.913 9.206 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.551 3.497 9.040 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.434 2.551 8.027 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.769 3.456 7.274 1.00 19.31 H new ATOM 147 N THR A 9 9.494 8.010 5.028 1.00 18.33 N ATOM 148 CA THR A 9 10.114 9.254 4.690 1.00 19.24 C ATOM 149 C THR A 9 9.288 10.320 5.324 1.00 19.48 C ATOM 150 O THR A 9 9.703 10.926 6.310 1.00 23.14 O ATOM 151 CB THR A 9 10.274 9.443 3.211 1.00 18.97 C ATOM 152 OG1 THR A 9 11.468 8.734 2.916 1.00 20.24 O ATOM 153 CG2 THR A 9 10.465 10.913 2.799 1.00 19.70 C ATOM 0 H THR A 9 8.854 7.709 4.293 1.00 18.33 H new ATOM 0 HA THR A 9 11.136 9.287 5.067 1.00 19.24 H new ATOM 0 HB THR A 9 9.384 9.101 2.682 1.00 18.97 H new ATOM 0 HG1 THR A 9 11.658 8.799 1.957 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.574 10.976 1.716 1.00 19.70 H new ATOM 0 HG22 THR A 9 9.597 11.494 3.111 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.359 11.312 3.278 1.00 19.70 H new ATOM 161 N GLY A 10 8.093 10.485 4.729 1.00 19.43 N ATOM 162 CA GLY A 10 7.179 11.524 5.090 1.00 18.74 C ATOM 163 C GLY A 10 6.168 11.848 4.045 1.00 17.62 C ATOM 164 O GLY A 10 5.480 12.863 4.141 1.00 19.74 O ATOM 0 H GLY A 10 7.754 9.882 3.979 1.00 19.43 H new ATOM 0 HA2 GLY A 10 6.659 11.232 6.003 1.00 18.74 H new ATOM 0 HA3 GLY A 10 7.746 12.426 5.321 1.00 18.74 H new ATOM 168 N LYS A 11 5.950 11.047 2.987 1.00 13.56 N ATOM 169 CA LYS A 11 4.990 11.303 1.958 1.00 11.91 C ATOM 170 C LYS A 11 3.764 10.512 2.258 1.00 10.18 C ATOM 171 O LYS A 11 3.750 9.333 2.607 1.00 9.10 O ATOM 172 CB LYS A 11 5.429 10.768 0.584 1.00 13.43 C ATOM 173 CG LYS A 11 4.472 11.194 -0.531 1.00 16.69 C ATOM 174 CD LYS A 11 4.932 10.869 -1.954 1.00 17.92 C ATOM 175 CE LYS A 11 6.029 11.785 -2.500 1.00 20.81 C ATOM 176 NZ LYS A 11 5.951 11.947 -3.969 1.00 21.93 N ATOM 0 H LYS A 11 6.467 10.180 2.842 1.00 13.56 H new ATOM 0 HA LYS A 11 4.854 12.384 1.930 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.432 11.130 0.358 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.483 9.680 0.619 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.508 10.715 -0.361 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.311 12.269 -0.457 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.292 9.840 -1.978 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.071 10.921 -2.620 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.951 12.763 -2.025 1.00 20.81 H new ATOM 0 HE3 LYS A 11 7.004 11.378 -2.234 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.902 11.855 -4.379 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.330 11.214 -4.367 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.566 12.886 -4.195 1.00 21.93 H new ATOM 190 N THR A 12 2.572 11.132 2.191 1.00 9.63 N ATOM 191 CA THR A 12 1.353 10.386 2.161 1.00 9.85 C ATOM 192 C THR A 12 0.684 10.313 0.832 1.00 11.66 C ATOM 193 O THR A 12 0.032 11.235 0.345 1.00 12.33 O ATOM 194 CB THR A 12 0.302 10.837 3.132 1.00 10.85 C ATOM 195 OG1 THR A 12 0.785 11.327 4.375 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.761 9.766 3.426 1.00 9.63 C ATOM 0 H THR A 12 2.453 12.144 2.158 1.00 9.63 H new ATOM 0 HA THR A 12 1.730 9.404 2.445 1.00 9.85 H new ATOM 0 HB THR A 12 -0.145 11.673 2.595 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.028 11.597 4.937 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.489 10.161 4.135 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.268 9.493 2.501 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.281 8.884 3.851 1.00 9.63 H new ATOM 204 N ILE A 13 0.801 9.169 0.133 1.00 10.42 N ATOM 205 CA ILE A 13 0.233 8.875 -1.146 1.00 11.84 C ATOM 206 C ILE A 13 -1.200 8.488 -1.020 1.00 10.55 C ATOM 207 O ILE A 13 -1.574 7.694 -0.158 1.00 11.92 O ATOM 208 CB ILE A 13 1.007 7.733 -1.734 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.512 7.938 -1.976 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.391 7.426 -3.109 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.339 6.653 -1.972 1.00 16.46 C ATOM 0 H ILE A 13 1.340 8.383 0.496 1.00 10.42 H new ATOM 0 HA ILE A 13 0.286 9.759 -1.782 1.00 11.84 H new ATOM 0 HB ILE A 13 0.937 6.944 -0.985 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.647 8.438 -2.935 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.902 8.608 -1.209 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.928 6.598 -3.572 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.658 7.155 -2.986 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.465 8.307 -3.746 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.387 6.894 -2.150 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.240 6.159 -1.005 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.981 5.988 -2.758 1.00 16.46 H new ATOM 223 N THR A 14 -2.007 9.040 -1.944 1.00 9.39 N ATOM 224 CA THR A 14 -3.394 8.699 -2.016 1.00 9.63 C ATOM 225 C THR A 14 -3.551 7.859 -3.237 1.00 11.20 C ATOM 226 O THR A 14 -3.073 8.067 -4.351 1.00 11.63 O ATOM 227 CB THR A 14 -4.339 9.849 -2.206 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.135 10.833 -1.203 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.804 9.389 -2.130 1.00 11.66 C ATOM 0 H THR A 14 -1.700 9.720 -2.639 1.00 9.39 H new ATOM 0 HA THR A 14 -3.643 8.230 -1.064 1.00 9.63 H new ATOM 0 HB THR A 14 -4.138 10.266 -3.193 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.624 10.580 -0.392 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.462 10.246 -2.272 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.995 8.652 -2.910 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.995 8.942 -1.154 1.00 11.66 H new ATOM 237 N LEU A 15 -4.322 6.770 -3.065 1.00 8.29 N ATOM 238 CA LEU A 15 -4.547 5.795 -4.086 1.00 9.03 C ATOM 239 C LEU A 15 -6.013 5.536 -4.131 1.00 8.59 C ATOM 240 O LEU A 15 -6.808 5.788 -3.227 1.00 7.79 O ATOM 241 CB LEU A 15 -3.789 4.493 -3.778 1.00 11.08 C ATOM 242 CG LEU A 15 -2.272 4.529 -3.527 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.731 3.182 -3.019 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.533 5.053 -4.770 1.00 15.88 C ATOM 0 H LEU A 15 -4.803 6.562 -2.190 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.184 6.163 -5.046 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.253 4.048 -2.898 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.964 3.811 -4.610 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.078 5.234 -2.718 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.656 3.259 -2.857 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.222 2.923 -2.081 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.932 2.407 -3.759 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.461 5.072 -4.575 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.736 4.398 -5.617 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.878 6.061 -5.000 1.00 15.88 H new ATOM 256 N GLU A 16 -6.442 5.042 -5.307 1.00 11.04 N ATOM 257 CA GLU A 16 -7.791 4.760 -5.687 1.00 11.50 C ATOM 258 C GLU A 16 -7.937 3.284 -5.823 1.00 10.13 C ATOM 259 O GLU A 16 -7.383 2.749 -6.782 1.00 9.83 O ATOM 260 CB GLU A 16 -8.237 5.378 -7.023 1.00 17.22 C ATOM 261 CG GLU A 16 -9.707 5.173 -7.393 1.00 23.33 C ATOM 262 CD GLU A 16 -10.704 5.668 -6.355 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.554 6.797 -5.817 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.594 4.868 -5.959 1.00 28.90 O ATOM 0 H GLU A 16 -5.785 4.822 -6.056 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.414 5.200 -4.908 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.036 6.449 -6.992 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.620 4.961 -7.819 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.904 5.683 -8.336 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.879 4.110 -7.563 1.00 23.33 H new ATOM 271 N VAL A 17 -8.690 2.599 -4.943 1.00 8.99 N ATOM 272 CA VAL A 17 -8.687 1.172 -4.854 1.00 8.85 C ATOM 273 C VAL A 17 -10.064 0.663 -4.600 1.00 8.04 C ATOM 274 O VAL A 17 -10.965 1.328 -4.090 1.00 8.99 O ATOM 275 CB VAL A 17 -7.869 0.627 -3.721 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.444 0.454 -4.272 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.961 1.512 -2.466 1.00 10.54 C ATOM 0 H VAL A 17 -9.317 3.049 -4.276 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.267 0.849 -5.806 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.244 -0.336 -3.374 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.797 0.058 -3.489 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.461 -0.238 -5.114 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.063 1.420 -4.604 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.354 1.080 -1.671 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.596 2.512 -2.699 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.999 1.572 -2.138 1.00 10.54 H new ATOM 287 N GLU A 18 -10.401 -0.591 -4.950 1.00 7.29 N ATOM 288 CA GLU A 18 -11.586 -1.242 -4.483 1.00 7.08 C ATOM 289 C GLU A 18 -11.180 -2.038 -3.291 1.00 6.45 C ATOM 290 O GLU A 18 -10.010 -2.413 -3.238 1.00 5.28 O ATOM 291 CB GLU A 18 -12.266 -2.175 -5.500 1.00 10.28 C ATOM 292 CG GLU A 18 -12.757 -1.290 -6.647 1.00 12.65 C ATOM 293 CD GLU A 18 -13.008 -2.014 -7.962 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.006 -2.514 -8.540 1.00 18.17 O ATOM 295 OE2 GLU A 18 -14.142 -2.105 -8.504 1.00 14.33 O ATOM 0 H GLU A 18 -9.836 -1.167 -5.573 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.327 -0.471 -4.272 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.566 -2.927 -5.864 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.097 -2.709 -5.040 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.681 -0.801 -6.338 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.022 -0.503 -6.818 1.00 12.65 H new ATOM 302 N PRO A 19 -12.045 -2.537 -2.458 1.00 7.24 N ATOM 303 CA PRO A 19 -11.700 -3.498 -1.451 1.00 7.07 C ATOM 304 C PRO A 19 -11.189 -4.803 -1.957 1.00 6.65 C ATOM 305 O PRO A 19 -10.609 -5.530 -1.152 1.00 6.37 O ATOM 306 CB PRO A 19 -13.026 -3.718 -0.726 1.00 7.61 C ATOM 307 CG PRO A 19 -13.784 -2.392 -0.895 1.00 8.16 C ATOM 308 CD PRO A 19 -13.402 -2.026 -2.338 1.00 7.49 C ATOM 0 HA PRO A 19 -10.878 -3.122 -0.842 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.581 -4.550 -1.159 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.868 -3.953 0.327 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.860 -2.512 -0.770 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.462 -1.637 -0.178 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.073 -2.488 -3.062 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.444 -0.950 -2.506 1.00 7.49 H new ATOM 316 N SER A 20 -11.511 -5.162 -3.212 1.00 6.80 N ATOM 317 CA SER A 20 -11.165 -6.370 -3.896 1.00 6.28 C ATOM 318 C SER A 20 -9.851 -6.346 -4.598 1.00 8.45 C ATOM 319 O SER A 20 -9.304 -7.283 -5.179 1.00 7.26 O ATOM 320 CB SER A 20 -12.274 -6.890 -4.826 1.00 8.57 C ATOM 321 OG SER A 20 -13.375 -7.392 -4.083 1.00 11.13 O ATOM 0 H SER A 20 -12.068 -4.545 -3.804 1.00 6.80 H new ATOM 0 HA SER A 20 -11.054 -7.084 -3.079 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.610 -6.086 -5.480 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.876 -7.677 -5.467 1.00 8.57 H new ATOM 0 HG SER A 20 -14.066 -7.714 -4.699 1.00 11.13 H new ATOM 327 N ASP A 21 -9.082 -5.249 -4.476 1.00 7.50 N ATOM 328 CA ASP A 21 -7.733 -5.103 -4.927 1.00 7.70 C ATOM 329 C ASP A 21 -6.817 -5.784 -3.970 1.00 7.08 C ATOM 330 O ASP A 21 -6.978 -5.667 -2.757 1.00 8.11 O ATOM 331 CB ASP A 21 -7.296 -3.633 -5.047 1.00 11.00 C ATOM 332 CG ASP A 21 -7.886 -2.984 -6.291 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.211 -3.722 -7.260 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.196 -1.763 -6.297 1.00 18.03 O ATOM 0 H ASP A 21 -9.431 -4.402 -4.028 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.683 -5.550 -5.920 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.613 -3.083 -4.161 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.208 -3.576 -5.085 1.00 11.00 H new ATOM 339 N THR A 22 -5.735 -6.359 -4.526 1.00 5.37 N ATOM 340 CA THR A 22 -4.680 -6.931 -3.749 1.00 6.01 C ATOM 341 C THR A 22 -3.709 -5.972 -3.151 1.00 8.01 C ATOM 342 O THR A 22 -3.613 -4.865 -3.677 1.00 8.11 O ATOM 343 CB THR A 22 -3.911 -8.003 -4.462 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.271 -7.644 -5.678 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.964 -9.110 -4.640 1.00 9.65 C ATOM 0 H THR A 22 -5.591 -6.428 -5.533 1.00 5.37 H new ATOM 0 HA THR A 22 -5.247 -7.368 -2.928 1.00 6.01 H new ATOM 0 HB THR A 22 -3.036 -8.293 -3.880 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.804 -8.424 -6.044 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.516 -9.959 -5.156 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.325 -9.429 -3.662 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.798 -8.727 -5.228 1.00 9.65 H new ATOM 353 N ILE A 23 -2.802 -6.414 -2.261 1.00 8.32 N ATOM 354 CA ILE A 23 -1.605 -5.727 -1.891 1.00 9.92 C ATOM 355 C ILE A 23 -0.683 -5.538 -3.047 1.00 10.01 C ATOM 356 O ILE A 23 0.048 -4.552 -3.134 1.00 8.71 O ATOM 357 CB ILE A 23 -0.994 -6.439 -0.721 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.036 -6.720 0.374 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.237 -5.679 -0.199 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.728 -5.476 0.930 1.00 12.30 C ATOM 0 H ILE A 23 -2.912 -7.302 -1.772 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.836 -4.709 -1.579 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.641 -7.414 -1.058 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.794 -7.392 -0.029 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.548 -7.245 1.195 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.663 -6.215 0.649 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.982 -5.604 -0.992 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.060 -4.678 0.116 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.445 -5.770 1.696 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.984 -4.810 1.367 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.249 -4.959 0.124 1.00 12.30 H new ATOM 372 N GLU A 24 -0.595 -6.495 -3.988 1.00 9.54 N ATOM 373 CA GLU A 24 0.157 -6.396 -5.200 1.00 11.81 C ATOM 374 C GLU A 24 -0.352 -5.310 -6.083 1.00 11.14 C ATOM 375 O GLU A 24 0.416 -4.477 -6.562 1.00 10.62 O ATOM 376 CB GLU A 24 0.304 -7.749 -5.916 1.00 19.24 C ATOM 377 CG GLU A 24 1.376 -7.636 -7.001 1.00 27.76 C ATOM 378 CD GLU A 24 1.598 -9.006 -7.626 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.609 -9.575 -8.161 1.00 36.51 O ATOM 380 OE2 GLU A 24 2.781 -9.433 -7.684 1.00 34.80 O ATOM 0 H GLU A 24 -1.077 -7.389 -3.897 1.00 9.54 H new ATOM 0 HA GLU A 24 1.171 -6.107 -4.923 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.576 -8.524 -5.200 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.647 -8.044 -6.359 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.066 -6.921 -7.763 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.306 -7.263 -6.573 1.00 27.76 H new ATOM 387 N ASN A 25 -1.686 -5.209 -6.224 1.00 9.43 N ATOM 388 CA ASN A 25 -2.288 -4.093 -6.885 1.00 10.96 C ATOM 389 C ASN A 25 -2.057 -2.745 -6.292 1.00 9.68 C ATOM 390 O ASN A 25 -1.892 -1.774 -7.029 1.00 9.33 O ATOM 391 CB ASN A 25 -3.803 -4.334 -6.988 1.00 16.78 C ATOM 392 CG ASN A 25 -4.239 -5.457 -7.918 1.00 22.31 C ATOM 393 OD1 ASN A 25 -3.458 -6.101 -8.617 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.589 -5.616 -7.895 1.00 24.70 N ATOM 0 H ASN A 25 -2.349 -5.903 -5.879 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.788 -4.053 -7.853 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.185 -4.547 -5.990 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.276 -3.410 -7.320 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -6.030 -6.316 -8.491 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -6.161 -5.035 -7.281 1.00 24.70 H new ATOM 401 N VAL A 26 -1.927 -2.633 -4.958 1.00 6.52 N ATOM 402 CA VAL A 26 -1.471 -1.522 -4.181 1.00 5.53 C ATOM 403 C VAL A 26 -0.077 -1.103 -4.499 1.00 4.42 C ATOM 404 O VAL A 26 0.180 0.013 -4.947 1.00 3.40 O ATOM 405 CB VAL A 26 -1.779 -1.593 -2.715 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.184 -0.426 -1.908 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.306 -1.584 -2.527 1.00 8.12 C ATOM 0 H VAL A 26 -2.172 -3.418 -4.355 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.097 -0.696 -4.517 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.326 -2.511 -2.341 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.445 -0.541 -0.856 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.099 -0.426 -2.014 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.585 0.516 -2.281 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.542 -1.635 -1.464 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.719 -0.667 -2.946 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.740 -2.444 -3.037 1.00 8.12 H new ATOM 417 N LYS A 27 0.829 -2.095 -4.429 1.00 2.64 N ATOM 418 CA LYS A 27 2.175 -1.963 -4.894 1.00 4.14 C ATOM 419 C LYS A 27 2.489 -1.553 -6.291 1.00 5.58 C ATOM 420 O LYS A 27 3.326 -0.667 -6.451 1.00 4.11 O ATOM 421 CB LYS A 27 2.902 -3.302 -4.690 1.00 3.97 C ATOM 422 CG LYS A 27 3.185 -3.759 -3.257 1.00 7.45 C ATOM 423 CD LYS A 27 4.053 -5.016 -3.177 1.00 9.02 C ATOM 424 CE LYS A 27 4.310 -5.511 -1.752 1.00 12.90 C ATOM 425 NZ LYS A 27 5.314 -6.598 -1.728 1.00 15.47 N ATOM 0 H LYS A 27 0.620 -3.014 -4.038 1.00 2.64 H new ATOM 0 HA LYS A 27 2.495 -1.108 -4.298 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.313 -4.079 -5.177 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.855 -3.247 -5.217 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.679 -2.951 -2.717 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.238 -3.948 -2.751 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.573 -5.812 -3.745 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.010 -4.814 -3.658 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.655 -4.682 -1.134 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.377 -5.867 -1.315 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.577 -6.806 -0.744 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.912 -7.451 -2.166 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.159 -6.302 -2.257 1.00 15.47 H new ATOM 439 N ALA A 28 1.806 -2.110 -7.308 1.00 6.61 N ATOM 440 CA ALA A 28 1.958 -1.739 -8.680 1.00 7.74 C ATOM 441 C ALA A 28 1.763 -0.305 -9.032 1.00 9.17 C ATOM 442 O ALA A 28 2.266 0.278 -9.992 1.00 11.45 O ATOM 443 CB ALA A 28 0.996 -2.691 -9.411 1.00 7.68 C ATOM 0 H ALA A 28 1.119 -2.850 -7.167 1.00 6.61 H new ATOM 0 HA ALA A 28 3.001 -1.841 -8.980 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.032 -2.493 -10.482 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.293 -3.723 -9.223 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.019 -2.533 -9.047 1.00 7.68 H new ATOM 449 N LYS A 29 0.825 0.308 -8.288 1.00 8.96 N ATOM 450 CA LYS A 29 0.417 1.632 -8.642 1.00 7.90 C ATOM 451 C LYS A 29 1.449 2.530 -8.051 1.00 6.92 C ATOM 452 O LYS A 29 1.678 3.600 -8.613 1.00 6.87 O ATOM 453 CB LYS A 29 -0.980 1.946 -8.078 1.00 10.28 C ATOM 454 CG LYS A 29 -1.572 3.301 -8.470 1.00 14.94 C ATOM 455 CD LYS A 29 -1.407 3.656 -9.949 1.00 19.69 C ATOM 456 CE LYS A 29 -2.161 2.913 -11.054 1.00 22.63 C ATOM 457 NZ LYS A 29 -1.571 2.949 -12.410 1.00 24.98 N ATOM 0 H LYS A 29 0.364 -0.094 -7.472 1.00 8.96 H new ATOM 0 HA LYS A 29 0.342 1.759 -9.722 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.666 1.164 -8.404 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.931 1.894 -6.990 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.634 3.305 -8.224 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.102 4.078 -7.867 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -1.664 4.711 -10.049 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -0.345 3.563 -10.177 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -2.259 1.869 -10.755 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.169 3.324 -11.112 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -2.215 2.484 -13.081 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -1.424 3.937 -12.699 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -0.658 2.451 -12.405 1.00 24.98 H new ATOM 471 N ILE A 30 2.132 2.150 -6.957 1.00 4.57 N ATOM 472 CA ILE A 30 3.091 2.922 -6.230 1.00 5.58 C ATOM 473 C ILE A 30 4.285 2.918 -7.121 1.00 7.26 C ATOM 474 O ILE A 30 5.056 3.876 -7.157 1.00 9.46 O ATOM 475 CB ILE A 30 3.344 2.436 -4.834 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.048 2.428 -4.006 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.467 3.266 -4.190 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.170 1.663 -2.689 1.00 2.00 C ATOM 0 H ILE A 30 2.001 1.225 -6.548 1.00 4.57 H new ATOM 0 HA ILE A 30 2.741 3.934 -6.025 1.00 5.58 H new ATOM 0 HB ILE A 30 3.683 1.401 -4.866 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.756 3.456 -3.794 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.249 1.986 -4.601 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.647 2.909 -3.176 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.379 3.163 -4.778 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.172 4.315 -4.159 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.219 1.699 -2.158 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.432 0.625 -2.894 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.946 2.118 -2.074 1.00 2.00 H new ATOM 490 N GLN A 31 4.515 1.873 -7.936 1.00 7.06 N ATOM 491 CA GLN A 31 5.474 1.741 -8.988 1.00 8.67 C ATOM 492 C GLN A 31 5.218 2.744 -10.060 1.00 10.90 C ATOM 493 O GLN A 31 6.136 3.480 -10.420 1.00 9.63 O ATOM 494 CB GLN A 31 5.602 0.303 -9.521 1.00 9.12 C ATOM 495 CG GLN A 31 6.711 0.180 -10.568 1.00 10.76 C ATOM 496 CD GLN A 31 7.050 -1.211 -11.086 1.00 13.78 C ATOM 497 OE1 GLN A 31 8.151 -1.721 -10.890 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.993 -1.940 -11.533 1.00 14.76 N ATOM 0 H GLN A 31 3.961 1.022 -7.843 1.00 7.06 H new ATOM 0 HA GLN A 31 6.454 1.959 -8.563 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.808 -0.374 -8.692 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.653 -0.008 -9.959 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.434 0.797 -11.423 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.619 0.610 -10.146 1.00 10.76 H new ATOM 0 HE21 GLN A 31 5.091 -1.489 -11.687 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.102 -2.938 -11.715 1.00 14.76 H new ATOM 507 N ASP A 32 3.985 2.855 -10.586 1.00 10.93 N ATOM 508 CA ASP A 32 3.591 3.871 -11.512 1.00 14.01 C ATOM 509 C ASP A 32 3.810 5.279 -11.076 1.00 14.04 C ATOM 510 O ASP A 32 4.378 6.116 -11.777 1.00 13.39 O ATOM 511 CB ASP A 32 2.139 3.618 -11.950 1.00 18.01 C ATOM 512 CG ASP A 32 1.993 2.261 -12.624 1.00 24.33 C ATOM 513 OD1 ASP A 32 2.797 1.941 -13.540 1.00 25.17 O ATOM 514 OD2 ASP A 32 1.073 1.467 -12.294 1.00 26.29 O ATOM 0 H ASP A 32 3.230 2.209 -10.356 1.00 10.93 H new ATOM 0 HA ASP A 32 4.268 3.780 -12.362 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.481 3.668 -11.082 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.822 4.403 -12.636 1.00 18.01 H new ATOM 519 N LYS A 33 3.453 5.497 -9.798 1.00 14.22 N ATOM 520 CA LYS A 33 3.383 6.837 -9.306 1.00 14.00 C ATOM 521 C LYS A 33 4.751 7.254 -8.887 1.00 12.37 C ATOM 522 O LYS A 33 5.330 8.146 -9.506 1.00 12.17 O ATOM 523 CB LYS A 33 2.349 7.065 -8.191 1.00 18.62 C ATOM 524 CG LYS A 33 0.881 7.175 -8.607 1.00 24.00 C ATOM 525 CD LYS A 33 -0.147 7.426 -7.501 1.00 27.61 C ATOM 526 CE LYS A 33 -1.632 7.479 -7.868 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.036 8.648 -8.680 1.00 30.06 N ATOM 0 H LYS A 33 3.219 4.769 -9.123 1.00 14.22 H new ATOM 0 HA LYS A 33 3.021 7.464 -10.121 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.437 6.246 -7.477 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.619 7.979 -7.662 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.797 7.982 -9.335 1.00 24.00 H new ATOM 0 HG3 LYS A 33 0.606 6.253 -9.120 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.021 6.645 -6.751 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.108 8.372 -7.023 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.888 6.571 -8.414 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.218 7.474 -6.949 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.056 8.597 -8.878 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.828 9.523 -8.157 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.509 8.647 -9.576 1.00 30.06 H new ATOM 541 N GLU A 34 5.243 6.695 -7.767 1.00 10.11 N ATOM 542 CA GLU A 34 6.452 7.130 -7.139 1.00 10.07 C ATOM 543 C GLU A 34 7.712 6.738 -7.831 1.00 9.32 C ATOM 544 O GLU A 34 8.562 7.511 -8.270 1.00 11.61 O ATOM 545 CB GLU A 34 6.499 6.565 -5.709 1.00 14.77 C ATOM 546 CG GLU A 34 5.483 7.337 -4.865 1.00 18.75 C ATOM 547 CD GLU A 34 5.795 8.820 -4.721 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.758 9.109 -3.961 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.016 9.688 -5.197 1.00 25.19 O ATOM 0 H GLU A 34 4.788 5.920 -7.285 1.00 10.11 H new ATOM 0 HA GLU A 34 6.416 8.219 -7.169 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.263 5.501 -5.711 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.500 6.669 -5.290 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.495 7.226 -5.313 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.435 6.889 -3.873 1.00 18.75 H new ATOM 556 N GLY A 35 7.836 5.421 -8.075 1.00 7.22 N ATOM 557 CA GLY A 35 8.989 4.841 -8.691 1.00 6.29 C ATOM 558 C GLY A 35 9.240 3.451 -8.217 1.00 6.93 C ATOM 559 O GLY A 35 9.978 2.694 -8.845 1.00 7.41 O ATOM 0 H GLY A 35 7.114 4.741 -7.837 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.857 4.836 -9.773 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.862 5.459 -8.479 1.00 6.29 H new ATOM 563 N ILE A 36 8.747 3.151 -7.002 1.00 5.86 N ATOM 564 CA ILE A 36 9.261 2.027 -6.283 1.00 6.07 C ATOM 565 C ILE A 36 8.877 0.725 -6.896 1.00 6.36 C ATOM 566 O ILE A 36 7.680 0.442 -6.886 1.00 6.18 O ATOM 567 CB ILE A 36 8.825 2.205 -4.858 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.917 3.574 -4.165 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.744 1.243 -4.086 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.758 3.536 -2.646 1.00 9.49 C ATOM 0 H ILE A 36 8.010 3.672 -6.526 1.00 5.86 H new ATOM 0 HA ILE A 36 10.350 1.990 -6.325 1.00 6.07 H new ATOM 0 HB ILE A 36 7.748 2.038 -4.862 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.881 4.022 -4.404 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.150 4.228 -4.580 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.510 1.292 -3.022 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.590 0.226 -4.445 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.784 1.529 -4.243 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.837 4.547 -2.246 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.782 3.121 -2.393 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.541 2.913 -2.214 1.00 9.49 H new ATOM 582 N PRO A 37 9.696 -0.203 -7.294 1.00 8.65 N ATOM 583 CA PRO A 37 9.334 -1.488 -7.818 1.00 9.18 C ATOM 584 C PRO A 37 8.771 -2.360 -6.750 1.00 9.85 C ATOM 585 O PRO A 37 9.050 -2.101 -5.580 1.00 8.51 O ATOM 586 CB PRO A 37 10.594 -2.070 -8.456 1.00 11.42 C ATOM 587 CG PRO A 37 11.685 -1.478 -7.550 1.00 9.27 C ATOM 588 CD PRO A 37 11.140 -0.095 -7.159 1.00 8.33 C ATOM 0 HA PRO A 37 8.546 -1.409 -8.567 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.596 -3.160 -8.445 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.710 -1.762 -9.495 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.856 -2.102 -6.672 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.637 -1.397 -8.074 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.422 0.165 -6.139 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.539 0.684 -7.809 1.00 8.33 H new ATOM 596 N PRO A 38 7.933 -3.324 -6.994 1.00 8.71 N ATOM 597 CA PRO A 38 7.193 -4.033 -5.992 1.00 9.08 C ATOM 598 C PRO A 38 7.934 -4.901 -5.034 1.00 9.28 C ATOM 599 O PRO A 38 7.569 -5.148 -3.885 1.00 6.50 O ATOM 600 CB PRO A 38 6.085 -4.779 -6.732 1.00 10.31 C ATOM 601 CG PRO A 38 6.631 -4.967 -8.157 1.00 10.81 C ATOM 602 CD PRO A 38 7.463 -3.685 -8.323 1.00 12.00 C ATOM 0 HA PRO A 38 6.820 -3.286 -5.291 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.869 -5.738 -6.260 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.156 -4.209 -6.735 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.238 -5.868 -8.251 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.835 -5.041 -8.898 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.301 -3.851 -8.999 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.861 -2.884 -8.753 1.00 12.00 H new ATOM 610 N ASP A 39 9.150 -5.333 -5.413 1.00 11.20 N ATOM 611 CA ASP A 39 10.102 -6.144 -4.720 1.00 14.96 C ATOM 612 C ASP A 39 10.627 -5.444 -3.514 1.00 13.99 C ATOM 613 O ASP A 39 10.897 -6.034 -2.469 1.00 13.75 O ATOM 614 CB ASP A 39 11.300 -6.385 -5.655 1.00 24.16 C ATOM 615 CG ASP A 39 10.981 -7.410 -6.733 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.200 -8.374 -6.515 1.00 34.22 O ATOM 617 OD2 ASP A 39 11.446 -7.153 -7.876 1.00 35.55 O ATOM 0 H ASP A 39 9.509 -5.075 -6.332 1.00 11.20 H new ATOM 0 HA ASP A 39 9.612 -7.071 -4.422 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.590 -5.444 -6.123 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.154 -6.727 -5.070 1.00 24.16 H new ATOM 622 N GLN A 40 10.823 -4.118 -3.630 1.00 11.60 N ATOM 623 CA GLN A 40 11.362 -3.228 -2.650 1.00 10.76 C ATOM 624 C GLN A 40 10.405 -2.874 -1.564 1.00 8.01 C ATOM 625 O GLN A 40 10.804 -2.325 -0.538 1.00 8.96 O ATOM 626 CB GLN A 40 12.087 -2.000 -3.225 1.00 11.14 C ATOM 627 CG GLN A 40 13.145 -2.306 -4.288 1.00 14.85 C ATOM 628 CD GLN A 40 13.817 -1.067 -4.863 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.374 0.062 -4.656 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.830 -1.308 -5.738 1.00 18.16 N ATOM 0 H GLN A 40 10.581 -3.626 -4.490 1.00 11.60 H new ATOM 0 HA GLN A 40 12.146 -3.820 -2.177 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.345 -1.329 -3.657 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.564 -1.463 -2.405 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.907 -2.952 -3.853 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.679 -2.865 -5.100 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.166 -2.261 -5.879 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.253 -0.536 -6.253 1.00 18.16 H new ATOM 639 N GLN A 41 9.081 -3.076 -1.683 1.00 6.52 N ATOM 640 CA GLN A 41 8.044 -2.537 -0.858 1.00 3.87 C ATOM 641 C GLN A 41 7.624 -3.526 0.174 1.00 4.79 C ATOM 642 O GLN A 41 7.170 -4.647 -0.051 1.00 6.34 O ATOM 643 CB GLN A 41 6.822 -2.125 -1.695 1.00 4.20 C ATOM 644 CG GLN A 41 7.171 -0.927 -2.580 1.00 3.20 C ATOM 645 CD GLN A 41 6.006 -0.672 -3.525 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.914 -0.407 -3.025 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.093 -0.677 -4.882 1.00 7.13 N ATOM 0 H GLN A 41 8.704 -3.669 -2.422 1.00 6.52 H new ATOM 0 HA GLN A 41 8.447 -1.651 -0.367 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.496 -2.961 -2.314 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.990 -1.872 -1.038 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.362 -0.046 -1.967 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.081 -1.126 -3.145 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.981 -0.892 -5.335 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.270 -0.466 -5.447 1.00 7.13 H new ATOM 656 N ARG A 42 7.672 -3.145 1.464 1.00 5.73 N ATOM 657 CA ARG A 42 6.995 -3.706 2.591 1.00 6.97 C ATOM 658 C ARG A 42 5.849 -2.797 2.875 1.00 7.15 C ATOM 659 O ARG A 42 5.953 -1.588 3.078 1.00 7.33 O ATOM 660 CB ARG A 42 7.945 -3.775 3.799 1.00 13.23 C ATOM 661 CG ARG A 42 9.366 -4.282 3.545 1.00 21.27 C ATOM 662 CD ARG A 42 10.148 -4.350 4.858 1.00 26.14 C ATOM 663 NE ARG A 42 9.467 -5.324 5.757 1.00 32.26 N ATOM 664 CZ ARG A 42 9.778 -5.462 7.079 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.749 -4.709 7.673 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.277 -6.592 7.659 1.00 36.39 N ATOM 0 H ARG A 42 8.252 -2.354 1.744 1.00 5.73 H new ATOM 0 HA ARG A 42 6.653 -4.722 2.392 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.015 -2.777 4.231 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.487 -4.417 4.552 1.00 13.23 H new ATOM 0 HG2 ARG A 42 9.330 -5.269 3.084 1.00 21.27 H new ATOM 0 HG3 ARG A 42 9.876 -3.621 2.844 1.00 21.27 H new ATOM 0 HD2 ARG A 42 11.176 -4.659 4.672 1.00 26.14 H new ATOM 0 HD3 ARG A 42 10.191 -3.367 5.326 1.00 26.14 H new ATOM 0 HE ARG A 42 8.734 -5.916 5.366 1.00 32.26 H new ATOM 0 HH11 ARG A 42 11.265 -4.020 7.127 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.958 -4.836 8.663 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.723 -7.246 7.106 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.457 -6.782 8.645 1.00 36.39 H new ATOM 680 N LEU A 43 4.650 -3.402 2.946 1.00 4.65 N ATOM 681 CA LEU A 43 3.451 -2.690 3.262 1.00 3.51 C ATOM 682 C LEU A 43 2.942 -3.214 4.560 1.00 5.56 C ATOM 683 O LEU A 43 2.912 -4.424 4.778 1.00 4.19 O ATOM 684 CB LEU A 43 2.345 -2.834 2.204 1.00 3.74 C ATOM 685 CG LEU A 43 2.413 -1.655 1.219 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.667 -2.038 -0.071 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.841 -0.337 1.768 1.00 9.55 C ATOM 0 H LEU A 43 4.511 -4.399 2.782 1.00 4.65 H new ATOM 0 HA LEU A 43 3.701 -1.630 3.304 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.462 -3.776 1.668 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.368 -2.861 2.687 1.00 3.74 H new ATOM 0 HG LEU A 43 3.471 -1.469 1.032 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.710 -1.208 -0.776 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.136 -2.916 -0.515 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.626 -2.262 0.163 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.928 0.441 1.010 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.791 -0.476 2.026 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.398 -0.041 2.657 1.00 9.55 H new ATOM 699 N ILE A 44 2.595 -2.302 5.486 1.00 4.58 N ATOM 700 CA ILE A 44 2.483 -2.519 6.895 1.00 5.55 C ATOM 701 C ILE A 44 1.159 -2.032 7.374 1.00 5.46 C ATOM 702 O ILE A 44 0.576 -1.123 6.785 1.00 6.04 O ATOM 703 CB ILE A 44 3.581 -1.747 7.566 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.974 -2.025 6.976 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.509 -1.966 9.086 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.563 -3.404 7.269 1.00 13.90 C ATOM 0 H ILE A 44 2.376 -1.340 5.228 1.00 4.58 H new ATOM 0 HA ILE A 44 2.567 -3.581 7.127 1.00 5.55 H new ATOM 0 HB ILE A 44 3.420 -0.688 7.366 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.921 -1.897 5.895 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.664 -1.270 7.353 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.307 -1.405 9.573 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.544 -1.621 9.458 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.625 -3.027 9.307 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.545 -3.486 6.804 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.659 -3.537 8.347 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.905 -4.174 6.866 1.00 13.90 H new ATOM 718 N PHE A 45 0.529 -2.888 8.198 1.00 6.75 N ATOM 719 CA PHE A 45 -0.752 -2.591 8.761 1.00 4.70 C ATOM 720 C PHE A 45 -0.757 -3.074 10.170 1.00 6.34 C ATOM 721 O PHE A 45 -0.709 -4.262 10.485 1.00 5.45 O ATOM 722 CB PHE A 45 -1.927 -3.215 7.989 1.00 5.51 C ATOM 723 CG PHE A 45 -3.261 -2.581 8.183 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.587 -1.319 7.745 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.218 -3.204 8.950 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.770 -0.666 7.999 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.469 -2.653 9.103 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.729 -1.368 8.690 1.00 6.84 C ATOM 0 H PHE A 45 0.910 -3.792 8.476 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.900 -1.513 8.703 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.689 -3.190 6.926 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.003 -4.264 8.274 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.852 -0.797 7.151 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.984 -4.138 9.439 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.938 0.349 7.671 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.257 -3.238 9.554 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.683 -0.911 8.908 1.00 6.84 H new ATOM 738 N ALA A 46 -0.896 -2.147 11.134 1.00 6.53 N ATOM 739 CA ALA A 46 -0.899 -2.300 12.556 1.00 7.15 C ATOM 740 C ALA A 46 0.408 -2.846 13.018 1.00 9.00 C ATOM 741 O ALA A 46 1.375 -2.104 13.186 1.00 11.15 O ATOM 742 CB ALA A 46 -2.147 -3.113 12.940 1.00 8.99 C ATOM 0 H ALA A 46 -1.022 -1.167 10.879 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.981 -1.348 13.081 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -2.176 -3.246 14.021 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.042 -2.581 12.616 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.109 -4.089 12.455 1.00 8.99 H new ATOM 748 N GLY A 47 0.573 -4.170 13.188 1.00 9.35 N ATOM 749 CA GLY A 47 1.767 -4.843 13.596 1.00 11.68 C ATOM 750 C GLY A 47 2.253 -5.938 12.709 1.00 11.14 C ATOM 751 O GLY A 47 3.135 -6.731 13.033 1.00 13.93 O ATOM 0 H GLY A 47 -0.194 -4.823 13.026 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.561 -4.102 13.688 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.601 -5.258 14.590 1.00 11.68 H new ATOM 755 N LYS A 48 1.691 -6.073 11.494 1.00 10.47 N ATOM 756 CA LYS A 48 2.006 -7.087 10.537 1.00 8.82 C ATOM 757 C LYS A 48 2.306 -6.525 9.190 1.00 7.68 C ATOM 758 O LYS A 48 1.741 -5.520 8.763 1.00 6.47 O ATOM 759 CB LYS A 48 0.843 -8.093 10.547 1.00 9.74 C ATOM 760 CG LYS A 48 -0.508 -7.445 10.238 1.00 14.14 C ATOM 761 CD LYS A 48 -1.677 -8.402 9.993 1.00 16.32 C ATOM 762 CE LYS A 48 -1.839 -9.400 11.141 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.242 -9.861 11.227 1.00 23.92 N ATOM 0 H LYS A 48 0.971 -5.432 11.160 1.00 10.47 H new ATOM 0 HA LYS A 48 2.928 -7.601 10.808 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.040 -8.876 9.815 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.794 -8.575 11.524 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.771 -6.789 11.068 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.392 -6.814 9.357 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.597 -7.830 9.875 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.516 -8.943 9.060 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.178 -10.253 10.987 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.544 -8.934 12.081 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -3.338 -10.538 12.011 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.866 -9.046 11.396 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -3.511 -10.324 10.335 1.00 23.92 H new ATOM 777 N GLN A 49 3.119 -7.231 8.384 1.00 8.89 N ATOM 778 CA GLN A 49 3.343 -6.963 6.998 1.00 7.18 C ATOM 779 C GLN A 49 2.287 -7.749 6.299 1.00 8.23 C ATOM 780 O GLN A 49 1.905 -8.867 6.641 1.00 9.70 O ATOM 781 CB GLN A 49 4.732 -7.486 6.595 1.00 11.67 C ATOM 782 CG GLN A 49 5.177 -7.009 5.211 1.00 15.82 C ATOM 783 CD GLN A 49 6.546 -7.582 4.872 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.610 -7.095 5.251 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.549 -8.757 4.188 1.00 20.67 N ATOM 0 H GLN A 49 3.650 -8.035 8.720 1.00 8.89 H new ATOM 0 HA GLN A 49 3.305 -5.901 6.758 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.464 -7.164 7.336 1.00 11.67 H new ATOM 0 HB3 GLN A 49 4.721 -8.576 6.611 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.449 -7.318 4.461 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.215 -5.920 5.189 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.669 -9.165 3.872 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.431 -9.230 3.991 1.00 20.67 H new ATOM 794 N LEU A 50 1.751 -7.053 5.281 1.00 6.51 N ATOM 795 CA LEU A 50 0.674 -7.515 4.462 1.00 7.41 C ATOM 796 C LEU A 50 1.066 -8.384 3.317 1.00 8.27 C ATOM 797 O LEU A 50 1.992 -8.002 2.603 1.00 8.34 O ATOM 798 CB LEU A 50 -0.018 -6.277 3.866 1.00 7.13 C ATOM 799 CG LEU A 50 -0.501 -5.302 4.953 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.073 -4.093 4.194 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.567 -6.025 5.793 1.00 8.14 C ATOM 0 H LEU A 50 2.084 -6.126 5.017 1.00 6.51 H new ATOM 0 HA LEU A 50 0.043 -8.122 5.111 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.674 -5.762 3.200 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.867 -6.594 3.261 1.00 7.13 H new ATOM 0 HG LEU A 50 0.282 -4.971 5.635 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.438 -3.354 4.908 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.292 -3.647 3.578 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.896 -4.419 3.557 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.929 -5.357 6.574 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.398 -6.318 5.152 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.130 -6.913 6.249 1.00 8.14 H new ATOM 813 N GLU A 51 0.512 -9.596 3.137 1.00 9.43 N ATOM 814 CA GLU A 51 0.907 -10.560 2.158 1.00 11.90 C ATOM 815 C GLU A 51 0.254 -10.257 0.853 1.00 11.49 C ATOM 816 O GLU A 51 -0.875 -9.769 0.835 1.00 9.88 O ATOM 817 CB GLU A 51 0.530 -11.956 2.684 1.00 16.56 C ATOM 818 CG GLU A 51 0.614 -13.179 1.769 1.00 26.06 C ATOM 819 CD GLU A 51 2.012 -13.467 1.240 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.835 -13.963 2.055 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.310 -13.063 0.085 1.00 33.44 O ATOM 0 H GLU A 51 -0.263 -9.923 3.714 1.00 9.43 H new ATOM 0 HA GLU A 51 1.983 -10.527 1.989 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.164 -12.156 3.548 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.496 -11.896 3.048 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.257 -14.052 2.315 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.059 -13.034 0.924 1.00 26.06 H new ATOM 828 N ASP A 52 0.967 -10.424 -0.275 1.00 12.71 N ATOM 829 CA ASP A 52 0.798 -9.862 -1.579 1.00 16.56 C ATOM 830 C ASP A 52 -0.522 -10.117 -2.221 1.00 15.83 C ATOM 831 O ASP A 52 -1.317 -9.202 -2.428 1.00 17.21 O ATOM 832 CB ASP A 52 1.960 -10.142 -2.547 1.00 21.05 C ATOM 833 CG ASP A 52 3.223 -9.396 -2.140 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.764 -9.686 -1.040 1.00 25.82 O ATOM 835 OD2 ASP A 52 3.786 -8.647 -2.983 1.00 28.37 O ATOM 0 H ASP A 52 1.777 -11.044 -0.264 1.00 12.71 H new ATOM 0 HA ASP A 52 0.816 -8.793 -1.366 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.162 -11.213 -2.573 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.672 -9.847 -3.556 1.00 21.05 H new ATOM 840 N GLY A 53 -0.904 -11.376 -2.499 1.00 15.00 N ATOM 841 CA GLY A 53 -2.117 -11.737 -3.165 1.00 11.77 C ATOM 842 C GLY A 53 -3.275 -11.783 -2.228 1.00 11.10 C ATOM 843 O GLY A 53 -4.215 -12.548 -2.438 1.00 11.25 O ATOM 0 H GLY A 53 -0.336 -12.185 -2.246 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.322 -11.020 -3.960 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.995 -12.711 -3.639 1.00 11.77 H new ATOM 847 N ARG A 54 -3.298 -11.015 -1.124 1.00 8.53 N ATOM 848 CA ARG A 54 -4.435 -10.947 -0.259 1.00 9.05 C ATOM 849 C ARG A 54 -5.119 -9.652 -0.534 1.00 8.96 C ATOM 850 O ARG A 54 -4.475 -8.713 -0.998 1.00 11.60 O ATOM 851 CB ARG A 54 -4.050 -11.112 1.221 1.00 7.97 C ATOM 852 CG ARG A 54 -3.102 -12.279 1.506 1.00 9.62 C ATOM 853 CD ARG A 54 -3.717 -13.616 1.089 1.00 12.20 C ATOM 854 NE ARG A 54 -2.926 -14.825 1.451 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.641 -15.171 2.741 1.00 22.08 C ATOM 856 NH1 ARG A 54 -3.322 -14.665 3.811 1.00 23.38 N ATOM 857 NH2 ARG A 54 -1.754 -16.171 3.015 1.00 25.50 N ATOM 0 H ARG A 54 -2.515 -10.432 -0.827 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.115 -11.775 -0.459 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.584 -10.189 1.567 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.959 -11.248 1.806 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.164 -12.126 0.972 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.863 -12.303 2.569 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.704 -13.700 1.543 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -3.863 -13.608 0.009 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.581 -15.423 0.700 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.080 -13.998 3.664 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -3.073 -14.954 4.757 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.296 -16.669 2.252 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -1.549 -16.420 3.983 1.00 25.50 H new ATOM 871 N THR A 55 -6.434 -9.487 -0.304 1.00 9.05 N ATOM 872 CA THR A 55 -7.177 -8.341 -0.727 1.00 9.03 C ATOM 873 C THR A 55 -7.208 -7.472 0.483 1.00 8.15 C ATOM 874 O THR A 55 -6.671 -7.700 1.566 1.00 5.91 O ATOM 875 CB THR A 55 -8.566 -8.635 -1.212 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.334 -9.443 -0.332 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.435 -9.386 -2.547 1.00 11.71 C ATOM 0 H THR A 55 -6.999 -10.175 0.194 1.00 9.05 H new ATOM 0 HA THR A 55 -6.704 -7.882 -1.596 1.00 9.03 H new ATOM 0 HB THR A 55 -9.087 -7.681 -1.294 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.738 -10.037 0.171 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.428 -9.618 -2.933 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.904 -8.762 -3.265 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.881 -10.312 -2.391 1.00 11.71 H new ATOM 885 N LEU A 56 -7.794 -6.262 0.442 1.00 6.91 N ATOM 886 CA LEU A 56 -8.028 -5.380 1.542 1.00 8.29 C ATOM 887 C LEU A 56 -9.053 -5.781 2.548 1.00 8.05 C ATOM 888 O LEU A 56 -8.820 -5.709 3.753 1.00 10.17 O ATOM 889 CB LEU A 56 -8.291 -3.993 0.932 1.00 6.60 C ATOM 890 CG LEU A 56 -7.066 -3.404 0.213 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.492 -2.312 -0.782 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.062 -2.758 1.183 1.00 9.85 C ATOM 0 H LEU A 56 -8.132 -5.870 -0.437 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.138 -5.400 2.172 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.118 -4.065 0.226 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.604 -3.310 1.721 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.592 -4.244 -0.294 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.610 -1.909 -1.280 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.164 -2.740 -1.526 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.004 -1.512 -0.247 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.218 -2.359 0.621 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.550 -1.949 1.727 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.705 -3.507 1.890 1.00 9.85 H new ATOM 904 N SER A 57 -10.098 -6.455 2.037 1.00 8.92 N ATOM 905 CA SER A 57 -11.141 -7.042 2.820 1.00 9.00 C ATOM 906 C SER A 57 -10.647 -8.135 3.704 1.00 9.44 C ATOM 907 O SER A 57 -11.352 -8.423 4.670 1.00 10.91 O ATOM 908 CB SER A 57 -12.207 -7.665 1.903 1.00 10.32 C ATOM 909 OG SER A 57 -13.012 -6.612 1.392 1.00 13.59 O ATOM 0 H SER A 57 -10.222 -6.597 1.035 1.00 8.92 H new ATOM 0 HA SER A 57 -11.548 -6.235 3.430 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.736 -8.215 1.088 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.818 -8.378 2.457 1.00 10.32 H new ATOM 0 HG SER A 57 -13.700 -6.983 0.801 1.00 13.59 H new ATOM 915 N ASP A 58 -9.490 -8.755 3.411 1.00 9.11 N ATOM 916 CA ASP A 58 -8.880 -9.783 4.195 1.00 7.91 C ATOM 917 C ASP A 58 -8.219 -9.230 5.410 1.00 9.12 C ATOM 918 O ASP A 58 -8.326 -9.768 6.512 1.00 8.61 O ATOM 919 CB ASP A 58 -7.776 -10.543 3.440 1.00 8.41 C ATOM 920 CG ASP A 58 -8.303 -11.400 2.298 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.148 -12.307 2.525 1.00 11.70 O ATOM 922 OD2 ASP A 58 -7.740 -11.206 1.187 1.00 10.05 O ATOM 0 H ASP A 58 -8.949 -8.524 2.577 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.704 -10.452 4.446 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.057 -9.826 3.044 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.237 -11.179 4.143 1.00 8.41 H new ATOM 927 N TYR A 59 -7.561 -8.067 5.263 1.00 7.97 N ATOM 928 CA TYR A 59 -7.030 -7.314 6.357 1.00 8.45 C ATOM 929 C TYR A 59 -7.889 -6.283 7.004 1.00 10.98 C ATOM 930 O TYR A 59 -7.498 -5.589 7.941 1.00 12.95 O ATOM 931 CB TYR A 59 -5.727 -6.734 5.780 1.00 7.94 C ATOM 932 CG TYR A 59 -4.686 -7.772 5.533 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.342 -8.592 6.581 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.326 -8.081 4.242 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.377 -9.550 6.383 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.405 -9.085 4.058 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.920 -9.818 5.115 1.00 6.76 C ATOM 938 OH TYR A 59 -1.719 -10.538 4.938 1.00 7.63 O ATOM 0 H TYR A 59 -7.393 -7.636 4.354 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.907 -7.974 7.216 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.948 -6.219 4.845 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.332 -5.988 6.469 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.822 -8.485 7.543 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.752 -7.553 3.402 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.977 -10.094 7.226 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.054 -9.303 3.060 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.926 -11.474 4.735 1.00 7.63 H new ATOM 948 N ASN A 60 -9.145 -6.190 6.534 1.00 12.38 N ATOM 949 CA ASN A 60 -10.226 -5.423 7.071 1.00 13.94 C ATOM 950 C ASN A 60 -10.145 -3.948 6.874 1.00 14.16 C ATOM 951 O ASN A 60 -10.736 -3.131 7.578 1.00 14.26 O ATOM 952 CB ASN A 60 -10.717 -5.775 8.485 1.00 19.23 C ATOM 953 CG ASN A 60 -10.901 -7.286 8.473 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.232 -7.973 9.243 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.838 -7.886 7.690 1.00 24.09 N ATOM 0 H ASN A 60 -9.429 -6.701 5.698 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.014 -5.783 6.410 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.993 -5.472 9.241 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.652 -5.265 8.716 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.979 -8.895 7.746 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.399 -7.327 7.047 1.00 24.09 H new ATOM 962 N ILE A 61 -9.407 -3.609 5.802 1.00 11.08 N ATOM 963 CA ILE A 61 -9.051 -2.306 5.334 1.00 11.78 C ATOM 964 C ILE A 61 -10.161 -1.761 4.502 1.00 13.74 C ATOM 965 O ILE A 61 -10.551 -2.404 3.529 1.00 14.60 O ATOM 966 CB ILE A 61 -7.707 -2.195 4.678 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.622 -2.720 5.634 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.461 -0.781 4.125 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.511 -3.340 4.788 1.00 11.42 C ATOM 0 H ILE A 61 -9.018 -4.333 5.198 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.922 -1.682 6.218 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.668 -2.832 3.794 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.228 -1.909 6.246 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.040 -3.460 6.316 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.477 -0.739 3.657 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.225 -0.542 3.385 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.506 -0.059 4.940 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.726 -3.721 5.441 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.919 -4.158 4.195 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.094 -2.583 4.124 1.00 11.42 H new ATOM 981 N GLN A 62 -10.615 -0.538 4.831 1.00 13.97 N ATOM 982 CA GLN A 62 -11.666 0.119 4.119 1.00 15.52 C ATOM 983 C GLN A 62 -11.223 1.473 3.684 1.00 13.94 C ATOM 984 O GLN A 62 -10.025 1.737 3.591 1.00 12.15 O ATOM 985 CB GLN A 62 -12.815 0.300 5.126 1.00 19.53 C ATOM 986 CG GLN A 62 -13.433 -1.045 5.514 1.00 26.38 C ATOM 987 CD GLN A 62 -14.824 -0.835 6.095 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.812 -0.810 5.361 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.967 -0.721 7.442 1.00 32.71 N ATOM 0 H GLN A 62 -10.243 0.006 5.609 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.957 -0.459 3.242 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.443 0.802 6.019 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.582 0.944 4.694 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.490 -1.693 4.640 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.798 -1.548 6.243 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -14.145 -0.742 8.046 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.896 -0.614 7.849 1.00 32.71 H new ATOM 998 N LYS A 63 -12.135 2.434 3.452 1.00 11.73 N ATOM 999 CA LYS A 63 -11.790 3.759 3.039 1.00 11.97 C ATOM 1000 C LYS A 63 -11.422 4.634 4.187 1.00 10.41 C ATOM 1001 O LYS A 63 -11.930 4.485 5.298 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.973 4.354 2.257 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.288 4.510 3.023 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.468 4.755 2.081 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.750 5.258 2.746 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.742 5.610 1.706 1.00 25.97 N ATOM 0 H LYS A 63 -13.139 2.286 3.554 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.907 3.704 2.402 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.677 5.335 1.884 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.158 3.724 1.387 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.474 3.612 3.613 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.204 5.340 3.724 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.163 5.480 1.326 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.692 3.825 1.558 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.155 4.490 3.405 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.533 6.128 3.366 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.613 5.952 2.159 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.354 6.356 1.094 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.957 4.769 1.133 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.450 5.507 3.870 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.842 6.558 4.626 1.00 10.94 C ATOM 1022 C GLU A 64 -8.716 5.977 5.410 1.00 9.74 C ATOM 1023 O GLU A 64 -8.193 6.607 6.328 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.812 7.406 5.465 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.313 8.793 5.877 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.464 9.616 6.439 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.302 9.095 7.222 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -11.633 10.800 6.041 1.00 32.61 O ATOM 0 H GLU A 64 -10.031 5.463 2.941 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.455 7.297 3.925 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.737 7.528 4.901 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.061 6.849 6.368 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.525 8.698 6.624 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -9.877 9.302 5.017 1.00 24.16 H new ATOM 1035 N SER A 65 -8.303 4.706 5.260 1.00 6.85 N ATOM 1036 CA SER A 65 -7.406 4.113 6.202 1.00 6.90 C ATOM 1037 C SER A 65 -6.001 4.461 5.848 1.00 4.72 C ATOM 1038 O SER A 65 -5.741 4.605 4.655 1.00 3.91 O ATOM 1039 CB SER A 65 -7.552 2.584 6.123 1.00 7.28 C ATOM 1040 OG SER A 65 -7.153 1.883 7.292 1.00 10.56 O ATOM 0 H SER A 65 -8.587 4.094 4.495 1.00 6.85 H new ATOM 0 HA SER A 65 -7.639 4.478 7.202 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.594 2.344 5.911 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.963 2.221 5.281 1.00 7.28 H new ATOM 0 HG SER A 65 -7.280 0.921 7.156 1.00 10.56 H new ATOM 1046 N THR A 66 -5.101 4.521 6.846 1.00 4.48 N ATOM 1047 CA THR A 66 -3.685 4.693 6.754 1.00 3.80 C ATOM 1048 C THR A 66 -2.870 3.446 6.725 1.00 4.60 C ATOM 1049 O THR A 66 -2.772 2.680 7.683 1.00 5.33 O ATOM 1050 CB THR A 66 -3.103 5.815 7.563 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.926 6.965 7.433 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.668 6.188 7.155 1.00 3.40 C ATOM 0 H THR A 66 -5.400 4.440 7.818 1.00 4.48 H new ATOM 0 HA THR A 66 -3.587 5.060 5.732 1.00 3.80 H new ATOM 0 HB THR A 66 -3.064 5.464 8.594 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.549 7.699 7.962 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.312 7.006 7.782 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.017 5.323 7.283 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.656 6.500 6.111 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.202 3.122 5.603 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.208 2.098 5.517 1.00 3.85 C ATOM 1062 C LEU A 67 0.109 2.733 5.803 1.00 3.80 C ATOM 1063 O LEU A 67 0.210 3.955 5.893 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.212 1.449 4.123 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.523 0.937 3.502 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.163 0.110 2.256 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.313 -0.041 4.388 1.00 8.12 C ATOM 0 H LEU A 67 -2.363 3.597 4.715 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.413 1.306 6.237 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.790 2.176 3.429 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.523 0.605 4.159 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.128 1.826 3.323 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.075 -0.267 1.794 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -1.628 0.739 1.544 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.530 -0.729 2.546 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.221 -0.349 3.870 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.700 -0.918 4.598 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.578 0.450 5.325 1.00 8.12 H new ATOM 1079 N HIS A 68 1.199 1.976 6.024 1.00 2.94 N ATOM 1080 CA HIS A 68 2.526 2.458 6.250 1.00 4.17 C ATOM 1081 C HIS A 68 3.370 1.668 5.310 1.00 5.32 C ATOM 1082 O HIS A 68 3.237 0.451 5.193 1.00 7.70 O ATOM 1083 CB HIS A 68 2.917 2.276 7.726 1.00 5.57 C ATOM 1084 CG HIS A 68 4.346 2.545 8.095 1.00 9.95 C ATOM 1085 ND1 HIS A 68 5.078 3.606 7.603 1.00 13.74 N ATOM 1086 CD2 HIS A 68 5.206 1.807 8.846 1.00 12.79 C ATOM 1087 CE1 HIS A 68 6.342 3.464 8.084 1.00 14.75 C ATOM 1088 NE2 HIS A 68 6.451 2.402 8.861 1.00 16.30 N ATOM 0 H HIS A 68 1.148 0.958 6.046 1.00 2.94 H new ATOM 0 HA HIS A 68 2.642 3.526 6.065 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.284 2.930 8.326 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.681 1.252 8.014 1.00 5.57 H new ATOM 0 HD1 HIS A 68 4.737 4.352 6.996 1.00 13.74 H new ATOM 0 HD2 HIS A 68 4.952 0.890 9.356 1.00 12.79 H new ATOM 0 HE1 HIS A 68 7.156 4.137 7.858 1.00 14.75 H new ATOM 1096 N LEU A 69 4.254 2.380 4.587 1.00 5.29 N ATOM 1097 CA LEU A 69 5.199 1.849 3.654 1.00 3.97 C ATOM 1098 C LEU A 69 6.585 1.771 4.195 1.00 5.07 C ATOM 1099 O LEU A 69 7.084 2.787 4.677 1.00 4.34 O ATOM 1100 CB LEU A 69 5.223 2.791 2.439 1.00 6.08 C ATOM 1101 CG LEU A 69 5.806 2.151 1.168 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.800 1.050 0.793 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.834 3.124 -0.023 1.00 6.87 C ATOM 0 H LEU A 69 4.311 3.396 4.660 1.00 5.29 H new ATOM 0 HA LEU A 69 4.888 0.834 3.408 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.207 3.127 2.232 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.807 3.677 2.689 1.00 6.08 H new ATOM 0 HG LEU A 69 6.825 1.817 1.360 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.139 0.539 -0.108 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.724 0.333 1.610 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.823 1.497 0.611 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.255 2.621 -0.894 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.819 3.452 -0.249 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.448 3.989 0.228 1.00 6.87 H new ATOM 1115 N VAL A 70 7.331 0.662 4.047 1.00 4.29 N ATOM 1116 CA VAL A 70 8.704 0.577 4.437 1.00 6.26 C ATOM 1117 C VAL A 70 9.398 -0.024 3.264 1.00 9.22 C ATOM 1118 O VAL A 70 8.716 -0.589 2.410 1.00 9.36 O ATOM 1119 CB VAL A 70 8.955 -0.317 5.615 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.443 -0.409 5.992 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.214 0.209 6.855 1.00 8.54 C ATOM 0 H VAL A 70 6.968 -0.202 3.644 1.00 4.29 H new ATOM 0 HA VAL A 70 9.049 1.569 4.727 1.00 6.26 H new ATOM 0 HB VAL A 70 8.598 -1.303 5.316 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.561 -1.070 6.851 1.00 9.76 H new ATOM 0 HG12 VAL A 70 11.008 -0.806 5.149 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.817 0.583 6.244 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.406 -0.451 7.701 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.566 1.213 7.091 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.143 0.238 6.654 1.00 8.54 H new ATOM 1131 N LEU A 71 10.730 0.076 3.099 1.00 12.71 N ATOM 1132 CA LEU A 71 11.473 -0.488 2.016 1.00 16.06 C ATOM 1133 C LEU A 71 12.386 -1.559 2.508 1.00 18.09 C ATOM 1134 O LEU A 71 12.824 -1.618 3.655 1.00 19.26 O ATOM 1135 CB LEU A 71 12.219 0.642 1.286 1.00 17.10 C ATOM 1136 CG LEU A 71 11.352 1.717 0.610 1.00 19.37 C ATOM 1137 CD1 LEU A 71 12.268 2.683 -0.161 1.00 19.57 C ATOM 1138 CD2 LEU A 71 10.263 1.126 -0.302 1.00 17.51 C ATOM 0 H LEU A 71 11.321 0.580 3.760 1.00 12.71 H new ATOM 0 HA LEU A 71 10.801 -0.966 1.303 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.875 1.135 2.003 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.858 0.192 0.526 1.00 17.10 H new ATOM 0 HG LEU A 71 10.815 2.259 1.389 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.663 3.450 -0.645 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.965 3.154 0.532 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.826 2.130 -0.917 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.685 1.935 -0.750 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.730 0.534 -1.090 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.602 0.490 0.286 1.00 17.51 H new ATOM 1150 N ARG A 72 12.827 -2.448 1.600 1.00 21.47 N ATOM 1151 CA ARG A 72 13.756 -3.524 1.751 1.00 25.83 C ATOM 1152 C ARG A 72 14.673 -3.470 0.578 1.00 27.74 C ATOM 1153 O ARG A 72 14.366 -2.847 -0.437 1.00 30.65 O ATOM 1154 CB ARG A 72 13.062 -4.879 1.972 1.00 28.49 C ATOM 1155 CG ARG A 72 12.255 -5.316 0.748 1.00 31.79 C ATOM 1156 CD ARG A 72 11.544 -6.632 1.071 1.00 34.05 C ATOM 1157 NE ARG A 72 10.653 -7.027 -0.056 1.00 35.08 N ATOM 1158 CZ ARG A 72 9.736 -8.037 -0.012 1.00 34.67 C ATOM 1159 NH1 ARG A 72 9.497 -8.780 1.108 1.00 35.02 N ATOM 1160 NH2 ARG A 72 9.069 -8.438 -1.133 1.00 34.97 N ATOM 0 H ARG A 72 12.486 -2.402 0.640 1.00 21.47 H new ATOM 0 HA ARG A 72 14.346 -3.412 2.661 1.00 25.83 H new ATOM 0 HB2 ARG A 72 13.811 -5.637 2.202 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.401 -4.811 2.836 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.527 -4.549 0.482 1.00 31.79 H new ATOM 0 HG3 ARG A 72 12.913 -5.443 -0.112 1.00 31.79 H new ATOM 0 HD2 ARG A 72 12.279 -7.415 1.254 1.00 34.05 H new ATOM 0 HD3 ARG A 72 10.960 -6.523 1.985 1.00 34.05 H new ATOM 0 HE ARG A 72 10.735 -6.503 -0.927 1.00 35.08 H new ATOM 0 HH11 ARG A 72 10.016 -8.591 1.966 1.00 35.02 H new ATOM 0 HH12 ARG A 72 8.800 -9.524 1.087 1.00 35.02 H new ATOM 0 HH21 ARG A 72 9.252 -7.981 -2.026 1.00 34.97 H new ATOM 0 HH22 ARG A 72 8.388 -9.195 -1.078 1.00 34.97 H new ATOM 1174 N LEU A 73 15.771 -4.244 0.651 1.00 28.93 N ATOM 1175 CA LEU A 73 16.829 -4.268 -0.310 1.00 30.76 C ATOM 1176 C LEU A 73 16.535 -5.382 -1.256 1.00 32.18 C ATOM 1177 O LEU A 73 16.382 -5.280 -2.472 1.00 32.31 O ATOM 1178 CB LEU A 73 18.212 -4.402 0.349 1.00 30.53 C ATOM 1179 CG LEU A 73 19.511 -4.300 -0.469 1.00 30.16 C ATOM 1180 CD1 LEU A 73 19.443 -3.183 -1.524 1.00 29.11 C ATOM 1181 CD2 LEU A 73 20.746 -4.120 0.430 1.00 29.57 C ATOM 0 H LEU A 73 15.928 -4.889 1.425 1.00 28.93 H new ATOM 0 HA LEU A 73 16.873 -3.322 -0.849 1.00 30.76 H new ATOM 0 HB2 LEU A 73 18.267 -3.639 1.125 1.00 30.53 H new ATOM 0 HB3 LEU A 73 18.230 -5.369 0.851 1.00 30.53 H new ATOM 0 HG LEU A 73 19.616 -5.249 -0.995 1.00 30.16 H new ATOM 0 HD11 LEU A 73 20.381 -3.148 -2.077 1.00 29.11 H new ATOM 0 HD12 LEU A 73 18.623 -3.383 -2.213 1.00 29.11 H new ATOM 0 HD13 LEU A 73 19.277 -2.226 -1.030 1.00 29.11 H new ATOM 0 HD21 LEU A 73 21.640 -4.053 -0.190 1.00 29.57 H new ATOM 0 HD22 LEU A 73 20.640 -3.206 1.015 1.00 29.57 H new ATOM 0 HD23 LEU A 73 20.834 -4.973 1.102 1.00 29.57 H new ATOM 1193 N ARG A 74 16.269 -6.593 -0.736 1.00 33.82 N ATOM 1194 CA ARG A 74 15.856 -7.691 -1.554 1.00 35.33 C ATOM 1195 C ARG A 74 14.827 -8.503 -0.845 1.00 36.22 C ATOM 1196 O ARG A 74 14.800 -8.459 0.383 1.00 36.70 O ATOM 1197 CB ARG A 74 17.004 -8.600 -2.022 1.00 36.91 C ATOM 1198 CG ARG A 74 16.532 -9.706 -2.968 1.00 38.62 C ATOM 1199 CD ARG A 74 17.687 -10.446 -3.646 1.00 39.75 C ATOM 1200 NE ARG A 74 17.057 -11.381 -4.620 1.00 41.13 N ATOM 1201 CZ ARG A 74 16.441 -12.546 -4.263 1.00 41.91 C ATOM 1202 NH1 ARG A 74 16.770 -13.230 -3.129 1.00 42.75 N ATOM 1203 NH2 ARG A 74 15.555 -13.168 -5.096 1.00 41.93 N ATOM 0 H ARG A 74 16.340 -6.813 0.257 1.00 33.82 H new ATOM 0 HA ARG A 74 15.437 -7.244 -2.456 1.00 35.33 H new ATOM 0 HB2 ARG A 74 17.759 -7.995 -2.524 1.00 36.91 H new ATOM 0 HB3 ARG A 74 17.483 -9.051 -1.153 1.00 36.91 H new ATOM 0 HG2 ARG A 74 15.928 -10.421 -2.409 1.00 38.62 H new ATOM 0 HG3 ARG A 74 15.887 -9.272 -3.732 1.00 38.62 H new ATOM 0 HD2 ARG A 74 18.355 -9.748 -4.151 1.00 39.75 H new ATOM 0 HD3 ARG A 74 18.286 -10.989 -2.915 1.00 39.75 H new ATOM 0 HE ARG A 74 17.088 -11.137 -5.610 1.00 41.13 H new ATOM 0 HH11 ARG A 74 17.500 -12.874 -2.512 1.00 42.75 H new ATOM 0 HH12 ARG A 74 16.285 -14.097 -2.898 1.00 42.75 H new ATOM 0 HH21 ARG A 74 15.341 -12.763 -6.007 1.00 41.93 H new ATOM 0 HH22 ARG A 74 15.107 -14.038 -4.807 1.00 41.93 H new ATOM 1217 N GLY A 75 13.928 -9.176 -1.586 1.00 36.31 N ATOM 1218 CA GLY A 75 12.900 -9.924 -0.931 1.00 36.07 C ATOM 1219 C GLY A 75 12.581 -11.169 -1.685 1.00 36.16 C ATOM 1220 O GLY A 75 13.006 -11.292 -2.833 1.00 36.26 O ATOM 0 H GLY A 75 13.910 -9.204 -2.605 1.00 36.31 H new ATOM 0 HA2 GLY A 75 13.219 -10.179 0.080 1.00 36.07 H new ATOM 0 HA3 GLY A 75 12.003 -9.311 -0.838 1.00 36.07 H new ATOM 1224 N GLY A 76 11.959 -12.159 -1.020 1.00 36.05 N ATOM 1225 CA GLY A 76 11.813 -13.475 -1.561 1.00 36.19 C ATOM 1226 C GLY A 76 11.520 -14.481 -0.457 1.00 36.20 C ATOM 1227 O GLY A 76 11.769 -14.210 0.748 1.00 36.13 O ATOM 1228 OXT GLY A 76 10.977 -15.576 -0.762 1.00 36.27 O ATOM 0 H GLY A 76 11.551 -12.044 -0.092 1.00 36.05 H new ATOM 0 HA2 GLY A 76 11.005 -13.485 -2.293 1.00 36.19 H new ATOM 0 HA3 GLY A 76 12.724 -13.760 -2.087 1.00 36.19 H new TER 1232 GLY A 76