USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 127:sc= 1.22 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.08 USER MOD Set 2.1: A 7 THR OG1 : rot 122:sc= 1.8 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.732 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 172:sc= 2.38 (180deg=1.2) USER MOD Set 3.2: A 12 THR OG1 : rot 104:sc= 0.944 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= 2.35 (180deg=2.14) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= 1.03 (180deg=0.218!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 2.42 (180deg=2.33) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0667 K(o=-0.067,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.229 K(o=-0.23,f=-2.6!) USER MOD Single : A 41 GLN : amide:sc= 1.01 K(o=1,f=-7.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0497 X(o=-0.05,f=-0.054) USER MOD Single : A 59 TYR OH : rot 150:sc= 0.0976 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.011) 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 88:sc= 0.958 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0956 K(o=0.096,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.403 -6.894 -4.947 1.00 9.67 N ATOM 2 CA MET A 1 11.354 -6.713 -3.402 1.00 10.38 C ATOM 3 C MET A 1 10.007 -7.069 -2.779 1.00 9.62 C ATOM 4 O MET A 1 8.930 -6.666 -3.268 1.00 9.62 O ATOM 5 CB MET A 1 11.652 -5.265 -3.115 1.00 13.77 C ATOM 6 CG MET A 1 11.770 -4.961 -1.636 1.00 16.29 C ATOM 7 SD MET A 1 12.250 -3.359 -1.030 1.00 17.17 S ATOM 8 CE MET A 1 10.521 -2.606 -1.241 1.00 16.11 C ATOM 0 H1 MET A 1 12.388 -7.036 -5.249 1.00 9.67 H new ATOM 0 H2 MET A 1 10.835 -7.722 -5.218 1.00 9.67 H new ATOM 0 H3 MET A 1 11.019 -6.045 -5.408 1.00 9.67 H new ATOM 0 HA MET A 1 12.082 -7.395 -2.963 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.582 -4.987 -3.612 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.864 -4.647 -3.545 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.800 -5.186 -1.192 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.482 -5.677 -1.225 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.537 -1.564 -0.922 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.226 -2.660 -2.289 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.806 -3.161 -0.633 1.00 16.11 H new ATOM 20 N GLN A 2 10.019 -7.937 -1.705 1.00 9.27 N ATOM 21 CA GLN A 2 8.782 -8.410 -1.154 1.00 9.07 C ATOM 22 C GLN A 2 8.238 -7.443 -0.044 1.00 8.72 C ATOM 23 O GLN A 2 9.006 -7.047 0.814 1.00 8.22 O ATOM 24 CB GLN A 2 9.007 -9.841 -0.570 1.00 14.46 C ATOM 25 CG GLN A 2 7.730 -10.585 -0.227 1.00 17.01 C ATOM 26 CD GLN A 2 8.039 -11.944 0.326 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.256 -12.103 1.514 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.184 -12.952 -0.572 1.00 19.49 N ATOM 0 H GLN A 2 10.861 -8.288 -1.248 1.00 9.27 H new ATOM 0 HA GLN A 2 8.033 -8.444 -1.945 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.574 -10.430 -1.291 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.619 -9.762 0.328 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.155 -10.013 0.501 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.110 -10.682 -1.118 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.994 -12.786 -1.560 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.483 -13.875 -0.258 1.00 19.49 H new ATOM 37 N ILE A 3 6.919 -7.148 0.001 1.00 5.87 N ATOM 38 CA ILE A 3 6.254 -6.541 1.154 1.00 5.07 C ATOM 39 C ILE A 3 4.917 -7.206 1.504 1.00 4.01 C ATOM 40 O ILE A 3 4.305 -7.943 0.749 1.00 4.61 O ATOM 41 CB ILE A 3 6.098 -4.972 0.925 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.212 -4.762 -0.311 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.466 -4.202 0.929 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.827 -3.274 -0.505 1.00 10.83 C ATOM 0 H ILE A 3 6.287 -7.331 -0.778 1.00 5.87 H new ATOM 0 HA ILE A 3 6.890 -6.709 2.023 1.00 5.07 H new ATOM 0 HB ILE A 3 5.593 -4.511 1.774 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.736 -5.119 -1.197 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.306 -5.361 -0.214 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.286 -3.139 0.768 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.961 -4.345 1.890 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.103 -4.587 0.132 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.200 -3.173 -1.391 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.279 -2.923 0.369 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.731 -2.678 -0.630 1.00 10.83 H new ATOM 56 N PHE A 4 4.447 -6.893 2.750 1.00 4.55 N ATOM 57 CA PHE A 4 3.180 -7.437 3.264 1.00 4.68 C ATOM 58 C PHE A 4 2.122 -6.367 3.421 1.00 5.30 C ATOM 59 O PHE A 4 2.381 -5.370 4.100 1.00 5.58 O ATOM 60 CB PHE A 4 3.358 -8.002 4.727 1.00 4.83 C ATOM 61 CG PHE A 4 4.517 -8.985 4.728 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.685 -9.892 3.695 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.468 -8.940 5.799 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.779 -10.741 3.708 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.520 -9.869 5.870 1.00 10.61 C ATOM 66 CZ PHE A 4 6.668 -10.732 4.827 1.00 8.90 C ATOM 0 H PHE A 4 4.931 -6.273 3.399 1.00 4.55 H new ATOM 0 HA PHE A 4 2.889 -8.199 2.541 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.551 -7.188 5.426 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.443 -8.495 5.056 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.970 -9.937 2.887 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.375 -8.182 6.562 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.959 -11.407 2.877 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.186 -9.897 6.720 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.487 -11.435 4.846 1.00 8.90 H new ATOM 76 N VAL A 5 0.975 -6.594 2.850 1.00 4.44 N ATOM 77 CA VAL A 5 -0.180 -5.798 3.042 1.00 3.87 C ATOM 78 C VAL A 5 -1.167 -6.510 3.845 1.00 4.93 C ATOM 79 O VAL A 5 -1.455 -7.690 3.660 1.00 6.84 O ATOM 80 CB VAL A 5 -0.811 -5.335 1.719 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.046 -4.463 1.957 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.244 -4.532 0.872 1.00 9.13 C ATOM 0 H VAL A 5 0.823 -7.375 2.212 1.00 4.44 H new ATOM 0 HA VAL A 5 0.144 -4.904 3.574 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.124 -6.225 1.173 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.464 -4.155 0.999 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.792 -5.032 2.512 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.763 -3.580 2.530 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.211 -4.208 -0.064 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.575 -3.660 1.436 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.100 -5.171 0.656 1.00 9.13 H new ATOM 92 N LYS A 6 -1.765 -5.782 4.826 1.00 6.04 N ATOM 93 CA LYS A 6 -2.614 -6.361 5.863 1.00 6.12 C ATOM 94 C LYS A 6 -4.095 -5.830 5.859 1.00 6.57 C ATOM 95 O LYS A 6 -4.271 -4.657 6.168 1.00 5.76 O ATOM 96 CB LYS A 6 -2.057 -6.161 7.314 1.00 7.45 C ATOM 97 CG LYS A 6 -0.826 -7.070 7.593 1.00 11.12 C ATOM 98 CD LYS A 6 -1.146 -8.566 7.561 1.00 14.54 C ATOM 99 CE LYS A 6 -0.563 -9.421 8.721 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.090 -10.788 8.548 1.00 20.55 N ATOM 0 H LYS A 6 -1.661 -4.771 4.906 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.609 -7.419 5.601 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.777 -5.117 7.455 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.842 -6.381 8.038 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.053 -6.857 6.854 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.412 -6.817 8.569 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.230 -8.684 7.560 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.781 -8.974 6.619 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.527 -9.420 8.692 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.857 -9.013 9.688 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.622 -11.428 9.221 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.115 -10.790 8.724 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.905 -11.111 7.577 1.00 20.55 H new ATOM 114 N THR A 7 -5.087 -6.686 5.505 1.00 7.41 N ATOM 115 CA THR A 7 -6.530 -6.376 5.466 1.00 7.48 C ATOM 116 C THR A 7 -7.076 -5.931 6.834 1.00 8.75 C ATOM 117 O THR A 7 -6.328 -5.901 7.827 1.00 8.58 O ATOM 118 CB THR A 7 -7.358 -7.468 4.875 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.366 -8.693 5.639 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.851 -7.777 3.454 1.00 9.17 C ATOM 0 H THR A 7 -4.890 -7.648 5.229 1.00 7.41 H new ATOM 0 HA THR A 7 -6.618 -5.526 4.789 1.00 7.48 H new ATOM 0 HB THR A 7 -8.383 -7.098 4.872 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.288 -8.923 5.879 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.453 -8.574 3.018 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.932 -6.882 2.836 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.809 -8.093 3.500 1.00 9.17 H new ATOM 128 N LEU A 8 -8.384 -5.494 6.888 1.00 9.84 N ATOM 129 CA LEU A 8 -9.088 -5.181 8.148 1.00 14.15 C ATOM 130 C LEU A 8 -9.310 -6.477 9.001 1.00 17.37 C ATOM 131 O LEU A 8 -8.942 -6.592 10.175 1.00 17.01 O ATOM 132 CB LEU A 8 -10.481 -4.630 7.899 1.00 16.63 C ATOM 133 CG LEU A 8 -11.301 -4.410 9.166 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.773 -3.332 10.052 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.778 -4.074 8.825 1.00 18.59 C ATOM 0 H LEU A 8 -8.958 -5.356 6.056 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.459 -4.451 8.658 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.395 -3.683 7.366 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.020 -5.316 7.245 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.230 -5.353 9.708 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.411 -3.238 10.931 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.759 -3.582 10.365 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.762 -2.387 9.509 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.339 -3.922 9.747 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.815 -3.165 8.224 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -13.218 -4.898 8.264 1.00 18.59 H new ATOM 147 N THR A 9 -9.588 -7.626 8.354 1.00 18.33 N ATOM 148 CA THR A 9 -9.532 -8.943 8.950 1.00 19.24 C ATOM 149 C THR A 9 -8.126 -9.433 9.273 1.00 19.48 C ATOM 150 O THR A 9 -7.966 -10.097 10.315 1.00 23.14 O ATOM 151 CB THR A 9 -10.180 -10.021 8.043 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.637 -9.967 6.712 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.656 -9.597 7.935 1.00 19.70 C ATOM 0 H THR A 9 -9.865 -7.646 7.372 1.00 18.33 H new ATOM 0 HA THR A 9 -10.085 -8.817 9.881 1.00 19.24 H new ATOM 0 HB THR A 9 -10.018 -11.019 8.450 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.059 -10.657 6.158 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.194 -10.308 7.307 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.103 -9.580 8.929 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.718 -8.603 7.492 1.00 19.70 H new ATOM 161 N GLY A 10 -7.135 -9.152 8.395 1.00 19.43 N ATOM 162 CA GLY A 10 -5.718 -9.354 8.873 1.00 18.74 C ATOM 163 C GLY A 10 -4.999 -10.462 8.122 1.00 17.62 C ATOM 164 O GLY A 10 -3.880 -10.780 8.520 1.00 19.74 O ATOM 0 H GLY A 10 -7.251 -8.816 7.439 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.163 -8.423 8.757 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.728 -9.589 9.937 1.00 18.74 H new ATOM 168 N LYS A 11 -5.591 -10.924 6.962 1.00 13.56 N ATOM 169 CA LYS A 11 -4.885 -11.791 6.103 1.00 11.91 C ATOM 170 C LYS A 11 -3.744 -11.067 5.384 1.00 10.18 C ATOM 171 O LYS A 11 -3.803 -9.884 4.895 1.00 9.10 O ATOM 172 CB LYS A 11 -5.817 -12.509 4.988 1.00 13.43 C ATOM 173 CG LYS A 11 -6.370 -11.645 3.847 1.00 16.69 C ATOM 174 CD LYS A 11 -7.087 -12.388 2.761 1.00 17.92 C ATOM 175 CE LYS A 11 -7.000 -11.643 1.461 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.880 -12.267 0.481 1.00 21.93 N ATOM 0 H LYS A 11 -6.534 -10.685 6.656 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.489 -12.565 6.761 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.241 -13.320 4.543 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.663 -12.964 5.503 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.053 -10.909 4.271 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.543 -11.093 3.400 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.654 -13.381 2.646 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.132 -12.526 3.037 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.283 -10.601 1.608 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.973 -11.646 1.096 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.627 -11.937 -0.472 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.775 -13.301 0.529 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.866 -12.009 0.686 1.00 21.93 H new ATOM 190 N THR A 12 -2.579 -11.644 5.283 1.00 9.63 N ATOM 191 CA THR A 12 -1.437 -11.030 4.534 1.00 9.85 C ATOM 192 C THR A 12 -1.642 -11.144 3.084 1.00 11.66 C ATOM 193 O THR A 12 -1.894 -12.230 2.602 1.00 12.33 O ATOM 194 CB THR A 12 -0.076 -11.680 4.840 1.00 10.85 C ATOM 195 OG1 THR A 12 0.228 -11.537 6.226 1.00 10.91 O ATOM 196 CG2 THR A 12 1.072 -10.993 4.093 1.00 9.63 C ATOM 0 H THR A 12 -2.361 -12.548 5.703 1.00 9.63 H new ATOM 0 HA THR A 12 -1.417 -9.991 4.863 1.00 9.85 H new ATOM 0 HB THR A 12 -0.160 -12.723 4.533 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.079 -12.391 6.683 1.00 10.91 H new ATOM 0 HG21 THR A 12 2.013 -11.485 4.340 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.898 -11.059 3.019 1.00 9.63 H new ATOM 0 HG23 THR A 12 1.123 -9.945 4.388 1.00 9.63 H new ATOM 204 N ILE A 13 -1.483 -10.034 2.336 1.00 10.42 N ATOM 205 CA ILE A 13 -1.334 -10.092 0.870 1.00 11.84 C ATOM 206 C ILE A 13 0.163 -9.768 0.716 1.00 10.55 C ATOM 207 O ILE A 13 0.641 -8.756 1.171 1.00 11.92 O ATOM 208 CB ILE A 13 -2.203 -9.037 0.163 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.666 -9.126 0.611 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.071 -8.990 -1.370 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.175 -7.666 0.755 1.00 16.46 C ATOM 0 H ILE A 13 -1.455 -9.090 2.722 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.645 -11.039 0.430 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.795 -8.081 0.490 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.262 -9.674 -0.119 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.750 -9.661 1.557 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.724 -8.214 -1.768 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.038 -8.768 -1.640 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.357 -9.955 -1.790 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.217 -7.674 1.074 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.573 -7.142 1.497 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.093 -7.156 -0.205 1.00 16.46 H new ATOM 223 N THR A 14 0.861 -10.702 0.072 1.00 9.39 N ATOM 224 CA THR A 14 2.271 -10.711 -0.170 1.00 9.63 C ATOM 225 C THR A 14 2.578 -10.230 -1.552 1.00 11.20 C ATOM 226 O THR A 14 2.208 -10.865 -2.550 1.00 11.63 O ATOM 227 CB THR A 14 2.937 -12.042 -0.084 1.00 10.38 C ATOM 228 OG1 THR A 14 2.873 -12.466 1.290 1.00 16.30 O ATOM 229 CG2 THR A 14 4.445 -11.895 -0.339 1.00 11.66 C ATOM 0 H THR A 14 0.405 -11.527 -0.317 1.00 9.39 H new ATOM 0 HA THR A 14 2.651 -10.068 0.624 1.00 9.63 H new ATOM 0 HB THR A 14 2.460 -12.717 -0.795 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.302 -13.342 1.382 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.922 -12.873 -0.274 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.607 -11.478 -1.333 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.877 -11.230 0.409 1.00 11.66 H new ATOM 237 N LEU A 15 3.202 -9.103 -1.711 1.00 8.29 N ATOM 238 CA LEU A 15 3.375 -8.543 -3.062 1.00 9.03 C ATOM 239 C LEU A 15 4.831 -8.393 -3.433 1.00 8.59 C ATOM 240 O LEU A 15 5.643 -7.864 -2.652 1.00 7.79 O ATOM 241 CB LEU A 15 2.788 -7.126 -3.085 1.00 11.08 C ATOM 242 CG LEU A 15 1.354 -6.862 -2.603 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.036 -5.346 -2.636 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.330 -7.485 -3.527 1.00 15.27 C ATOM 0 H LEU A 15 3.600 -8.546 -0.955 1.00 8.29 H new ATOM 0 HA LEU A 15 2.884 -9.224 -3.757 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.448 -6.496 -2.488 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.851 -6.770 -4.113 1.00 11.08 H new ATOM 0 HG LEU A 15 1.299 -7.281 -1.598 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.015 -5.181 -2.291 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.730 -4.814 -1.985 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.139 -4.975 -3.656 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.672 -7.277 -3.153 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.439 -7.065 -4.527 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.485 -8.563 -3.568 1.00 15.27 H new ATOM 256 N GLU A 16 5.102 -8.919 -4.615 1.00 11.04 N ATOM 257 CA GLU A 16 6.334 -8.713 -5.331 1.00 11.50 C ATOM 258 C GLU A 16 6.407 -7.386 -6.058 1.00 10.13 C ATOM 259 O GLU A 16 5.668 -7.175 -7.032 1.00 9.83 O ATOM 260 CB GLU A 16 6.655 -9.834 -6.373 1.00 17.22 C ATOM 261 CG GLU A 16 8.020 -9.763 -7.097 1.00 23.33 C ATOM 262 CD GLU A 16 9.151 -10.117 -6.102 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.260 -11.290 -5.719 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.957 -9.177 -5.777 1.00 28.90 O ATOM 0 H GLU A 16 4.445 -9.519 -5.113 1.00 11.04 H new ATOM 0 HA GLU A 16 7.075 -8.733 -4.532 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.594 -10.795 -5.863 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.871 -9.824 -7.130 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.033 -10.454 -7.940 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.177 -8.763 -7.502 1.00 23.33 H new ATOM 271 N VAL A 17 7.225 -6.475 -5.615 1.00 8.99 N ATOM 272 CA VAL A 17 7.223 -5.022 -6.012 1.00 8.85 C ATOM 273 C VAL A 17 8.640 -4.460 -6.156 1.00 8.04 C ATOM 274 O VAL A 17 9.606 -5.008 -5.671 1.00 8.99 O ATOM 275 CB VAL A 17 6.345 -4.145 -5.121 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.803 -4.504 -5.204 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.895 -4.248 -3.690 1.00 10.54 C ATOM 0 H VAL A 17 7.956 -6.693 -4.938 1.00 8.99 H new ATOM 0 HA VAL A 17 6.761 -4.991 -6.999 1.00 8.85 H new ATOM 0 HB VAL A 17 6.392 -3.114 -5.472 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.239 -3.842 -4.546 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.455 -4.379 -6.229 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.653 -5.538 -4.893 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.291 -3.633 -3.023 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.857 -5.286 -3.360 1.00 10.54 H new ATOM 0 HG23 VAL A 17 7.927 -3.898 -3.671 1.00 10.54 H new ATOM 287 N GLU A 18 8.780 -3.300 -6.880 1.00 7.29 N ATOM 288 CA GLU A 18 10.058 -2.622 -7.054 1.00 7.08 C ATOM 289 C GLU A 18 10.187 -1.467 -6.143 1.00 6.45 C ATOM 290 O GLU A 18 9.163 -0.820 -5.931 1.00 5.28 O ATOM 291 CB GLU A 18 10.225 -2.084 -8.491 1.00 10.28 C ATOM 292 CG GLU A 18 10.229 -3.097 -9.641 1.00 12.65 C ATOM 293 CD GLU A 18 10.907 -4.427 -9.473 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.061 -4.492 -8.940 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.260 -5.492 -9.860 1.00 14.33 O ATOM 0 H GLU A 18 8.001 -2.834 -7.345 1.00 7.29 H new ATOM 0 HA GLU A 18 10.822 -3.368 -6.836 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.422 -1.371 -8.676 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.161 -1.527 -8.533 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.189 -3.295 -9.901 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.686 -2.608 -10.501 1.00 12.65 H new ATOM 302 N PRO A 19 11.360 -1.164 -5.586 1.00 7.24 N ATOM 303 CA PRO A 19 11.546 0.044 -4.873 1.00 7.07 C ATOM 304 C PRO A 19 11.197 1.327 -5.709 1.00 6.65 C ATOM 305 O PRO A 19 10.697 2.354 -5.215 1.00 6.37 O ATOM 306 CB PRO A 19 13.053 0.066 -4.446 1.00 7.61 C ATOM 307 CG PRO A 19 13.358 -1.469 -4.313 1.00 8.16 C ATOM 308 CD PRO A 19 12.490 -2.047 -5.434 1.00 7.49 C ATOM 0 HA PRO A 19 10.867 0.069 -4.021 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.685 0.547 -5.193 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.207 0.598 -3.507 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.415 -1.692 -4.456 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.079 -1.860 -3.334 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.055 -2.115 -6.364 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.161 -3.056 -5.186 1.00 7.49 H new ATOM 316 N SER A 20 11.423 1.299 -7.010 1.00 6.80 N ATOM 317 CA SER A 20 10.847 2.333 -7.930 1.00 6.28 C ATOM 318 C SER A 20 9.339 2.395 -8.130 1.00 8.45 C ATOM 319 O SER A 20 8.809 3.374 -8.614 1.00 7.26 O ATOM 320 CB SER A 20 11.355 2.113 -9.393 1.00 8.57 C ATOM 321 OG SER A 20 12.794 2.214 -9.462 1.00 11.13 O ATOM 0 H SER A 20 11.991 0.591 -7.475 1.00 6.80 H new ATOM 0 HA SER A 20 11.169 3.236 -7.412 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.038 1.132 -9.748 1.00 8.57 H new ATOM 0 HB3 SER A 20 10.903 2.853 -10.054 1.00 8.57 H new ATOM 0 HG SER A 20 13.088 2.071 -10.386 1.00 11.13 H new ATOM 327 N ASP A 21 8.553 1.404 -7.669 1.00 7.50 N ATOM 328 CA ASP A 21 7.083 1.473 -7.636 1.00 7.70 C ATOM 329 C ASP A 21 6.576 2.645 -6.793 1.00 7.08 C ATOM 330 O ASP A 21 6.922 2.789 -5.646 1.00 8.11 O ATOM 331 CB ASP A 21 6.368 0.161 -7.319 1.00 11.00 C ATOM 332 CG ASP A 21 6.603 -0.886 -8.338 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.915 -0.611 -9.568 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.556 -2.066 -7.949 1.00 14.36 O ATOM 0 H ASP A 21 8.925 0.526 -7.306 1.00 7.50 H new ATOM 0 HA ASP A 21 6.803 1.670 -8.671 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.703 -0.203 -6.348 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.297 0.348 -7.238 1.00 11.00 H new ATOM 339 N THR A 22 5.711 3.523 -7.401 1.00 5.37 N ATOM 340 CA THR A 22 4.868 4.459 -6.721 1.00 6.01 C ATOM 341 C THR A 22 3.833 3.847 -5.795 1.00 8.01 C ATOM 342 O THR A 22 3.379 2.732 -6.091 1.00 8.11 O ATOM 343 CB THR A 22 4.273 5.591 -7.571 1.00 8.92 C ATOM 344 OG1 THR A 22 3.522 5.109 -8.694 1.00 10.22 O ATOM 345 CG2 THR A 22 5.376 6.587 -7.981 1.00 9.65 C ATOM 0 H THR A 22 5.609 3.567 -8.415 1.00 5.37 H new ATOM 0 HA THR A 22 5.603 4.948 -6.081 1.00 6.01 H new ATOM 0 HB THR A 22 3.550 6.124 -6.953 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.165 5.869 -9.199 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.941 7.384 -8.583 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.831 7.014 -7.087 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.137 6.067 -8.563 1.00 9.65 H new ATOM 353 N ILE A 23 3.373 4.485 -4.699 1.00 8.32 N ATOM 354 CA ILE A 23 2.320 3.982 -3.810 1.00 9.92 C ATOM 355 C ILE A 23 0.973 3.740 -4.632 1.00 10.01 C ATOM 356 O ILE A 23 0.276 2.743 -4.378 1.00 8.71 O ATOM 357 CB ILE A 23 2.136 4.886 -2.603 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.412 5.113 -1.726 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.976 4.435 -1.717 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.157 3.848 -1.302 1.00 12.30 C ATOM 0 H ILE A 23 3.739 5.391 -4.405 1.00 8.32 H new ATOM 0 HA ILE A 23 2.624 3.015 -3.409 1.00 9.92 H new ATOM 0 HB ILE A 23 1.906 5.852 -3.052 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.102 5.751 -2.279 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.122 5.660 -0.829 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.883 5.111 -0.867 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.051 4.448 -2.294 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.165 3.424 -1.357 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.023 4.121 -0.699 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.492 3.213 -0.716 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.488 3.306 -2.188 1.00 12.30 H new ATOM 372 N GLU A 24 0.581 4.612 -5.602 1.00 9.54 N ATOM 373 CA GLU A 24 -0.430 4.312 -6.519 1.00 11.81 C ATOM 374 C GLU A 24 -0.300 3.004 -7.310 1.00 11.14 C ATOM 375 O GLU A 24 -1.316 2.319 -7.456 1.00 10.62 O ATOM 376 CB GLU A 24 -0.491 5.550 -7.458 1.00 19.24 C ATOM 377 CG GLU A 24 -1.722 5.523 -8.340 1.00 27.76 C ATOM 378 CD GLU A 24 -1.790 6.775 -9.262 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.902 7.937 -8.756 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.752 6.605 -10.483 1.00 34.80 O ATOM 0 H GLU A 24 0.993 5.537 -5.727 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.349 4.123 -5.965 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.492 6.461 -6.860 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.403 5.579 -8.081 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.714 4.620 -8.951 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.616 5.479 -7.718 1.00 27.76 H new ATOM 387 N ASN A 25 0.938 2.682 -7.812 1.00 9.43 N ATOM 388 CA ASN A 25 1.256 1.427 -8.515 1.00 10.96 C ATOM 389 C ASN A 25 1.145 0.208 -7.586 1.00 9.68 C ATOM 390 O ASN A 25 0.624 -0.834 -7.925 1.00 9.33 O ATOM 391 CB ASN A 25 2.715 1.550 -9.058 1.00 16.78 C ATOM 392 CG ASN A 25 2.918 0.465 -10.104 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.348 -0.655 -9.859 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.648 0.843 -11.370 1.00 24.70 N ATOM 0 H ASN A 25 1.740 3.306 -7.729 1.00 9.43 H new ATOM 0 HA ASN A 25 0.543 1.275 -9.325 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.878 2.536 -9.494 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.435 1.437 -8.247 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.802 0.192 -12.140 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.290 1.780 -11.557 1.00 24.70 H new ATOM 401 N VAL A 26 1.590 0.318 -6.352 1.00 6.52 N ATOM 402 CA VAL A 26 1.293 -0.678 -5.307 1.00 5.53 C ATOM 403 C VAL A 26 -0.263 -0.839 -5.097 1.00 4.42 C ATOM 404 O VAL A 26 -0.783 -1.981 -5.070 1.00 3.40 O ATOM 405 CB VAL A 26 1.923 -0.251 -3.992 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.688 -1.286 -2.943 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.456 -0.045 -4.056 1.00 8.12 C ATOM 0 H VAL A 26 2.168 1.094 -6.031 1.00 6.52 H new ATOM 0 HA VAL A 26 1.706 -1.633 -5.631 1.00 5.53 H new ATOM 0 HB VAL A 26 1.449 0.703 -3.761 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.145 -0.966 -2.007 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.616 -1.419 -2.796 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.131 -2.231 -3.258 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.824 0.259 -3.076 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.936 -0.978 -4.351 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.689 0.730 -4.787 1.00 8.12 H new ATOM 417 N LYS A 27 -1.024 0.268 -4.977 1.00 2.64 N ATOM 418 CA LYS A 27 -2.481 0.154 -4.876 1.00 4.14 C ATOM 419 C LYS A 27 -3.125 -0.459 -6.143 1.00 5.58 C ATOM 420 O LYS A 27 -4.110 -1.201 -6.038 1.00 4.11 O ATOM 421 CB LYS A 27 -3.156 1.510 -4.613 1.00 3.97 C ATOM 422 CG LYS A 27 -2.794 2.202 -3.191 1.00 7.45 C ATOM 423 CD LYS A 27 -3.504 3.462 -2.745 1.00 9.02 C ATOM 424 CE LYS A 27 -3.368 4.678 -3.654 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.404 5.628 -3.222 1.00 15.47 N ATOM 0 H LYS A 27 -0.662 1.221 -4.949 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.646 -0.512 -4.029 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.879 2.196 -5.413 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.236 1.376 -4.668 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.956 1.451 -2.418 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.726 2.422 -3.203 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.564 3.235 -2.635 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.132 3.732 -1.757 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.375 5.119 -3.569 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.505 4.401 -4.699 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.380 6.469 -3.833 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.339 5.177 -3.290 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.227 5.911 -2.237 1.00 15.47 H new ATOM 439 N ALA A 28 -2.513 -0.235 -7.311 1.00 6.61 N ATOM 440 CA ALA A 28 -2.910 -0.854 -8.529 1.00 7.74 C ATOM 441 C ALA A 28 -2.723 -2.422 -8.512 1.00 9.17 C ATOM 442 O ALA A 28 -3.491 -3.153 -9.077 1.00 11.45 O ATOM 443 CB ALA A 28 -2.111 -0.243 -9.705 1.00 7.68 C ATOM 0 H ALA A 28 -1.718 0.396 -7.412 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.976 -0.664 -8.654 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.416 -0.718 -10.638 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.308 0.828 -9.762 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.045 -0.408 -9.545 1.00 7.68 H new ATOM 449 N LYS A 29 -1.697 -2.907 -7.758 1.00 8.96 N ATOM 450 CA LYS A 29 -1.411 -4.285 -7.667 1.00 7.90 C ATOM 451 C LYS A 29 -2.260 -4.865 -6.619 1.00 6.92 C ATOM 452 O LYS A 29 -2.760 -6.031 -6.697 1.00 6.87 O ATOM 453 CB LYS A 29 0.034 -4.439 -7.200 1.00 10.28 C ATOM 454 CG LYS A 29 0.433 -5.891 -7.304 1.00 14.94 C ATOM 455 CD LYS A 29 1.912 -6.070 -7.112 1.00 19.69 C ATOM 456 CE LYS A 29 2.643 -6.260 -8.436 1.00 22.63 C ATOM 457 NZ LYS A 29 2.702 -5.027 -9.256 1.00 24.98 N ATOM 0 H LYS A 29 -1.070 -2.316 -7.212 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.578 -4.770 -8.629 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.694 -3.823 -7.810 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.136 -4.094 -6.171 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.105 -6.472 -6.555 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.142 -6.281 -8.279 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.318 -5.200 -6.596 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.092 -6.934 -6.472 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.658 -6.604 -8.236 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.147 -7.045 -9.007 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.211 -5.223 -10.141 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.736 -4.709 -9.475 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.200 -4.282 -8.728 1.00 24.98 H new ATOM 471 N ILE A 30 -2.527 -4.110 -5.551 1.00 4.57 N ATOM 472 CA ILE A 30 -3.555 -4.515 -4.525 1.00 5.58 C ATOM 473 C ILE A 30 -4.882 -4.604 -5.192 1.00 7.26 C ATOM 474 O ILE A 30 -5.564 -5.610 -4.961 1.00 9.46 O ATOM 475 CB ILE A 30 -3.577 -3.684 -3.177 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.158 -3.584 -2.541 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.706 -4.197 -2.188 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.980 -2.406 -1.579 1.00 2.00 C ATOM 0 H ILE A 30 -2.065 -3.222 -5.354 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.256 -5.495 -4.154 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.856 -2.657 -3.413 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.946 -4.510 -2.006 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.420 -3.501 -3.339 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.688 -3.601 -1.275 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.681 -4.099 -2.666 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.526 -5.243 -1.942 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.965 -2.411 -1.182 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.157 -1.471 -2.111 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.691 -2.496 -0.758 1.00 2.00 H new ATOM 490 N GLN A 31 -5.230 -3.711 -6.095 1.00 7.06 N ATOM 491 CA GLN A 31 -6.442 -3.784 -6.907 1.00 8.67 C ATOM 492 C GLN A 31 -6.549 -4.992 -7.764 1.00 10.90 C ATOM 493 O GLN A 31 -7.607 -5.620 -7.902 1.00 9.63 O ATOM 494 CB GLN A 31 -6.621 -2.569 -7.809 1.00 9.12 C ATOM 495 CG GLN A 31 -8.028 -2.530 -8.383 1.00 10.76 C ATOM 496 CD GLN A 31 -8.232 -1.397 -9.499 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.406 -0.519 -9.599 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.356 -1.470 -10.229 1.00 14.76 N ATOM 0 H GLN A 31 -4.664 -2.886 -6.296 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.229 -3.826 -6.154 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.428 -1.658 -7.243 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.893 -2.601 -8.619 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.262 -3.502 -8.817 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.738 -2.363 -7.573 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.007 -2.243 -10.088 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.559 -0.753 -10.925 1.00 14.76 H new ATOM 507 N ASP A 32 -5.432 -5.446 -8.407 1.00 10.93 N ATOM 508 CA ASP A 32 -5.466 -6.662 -9.138 1.00 14.01 C ATOM 509 C ASP A 32 -5.651 -7.941 -8.275 1.00 14.04 C ATOM 510 O ASP A 32 -6.363 -8.881 -8.649 1.00 13.39 O ATOM 511 CB ASP A 32 -4.164 -6.713 -10.007 1.00 18.01 C ATOM 512 CG ASP A 32 -4.241 -7.749 -11.122 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.284 -7.832 -11.859 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.265 -8.515 -11.253 1.00 25.17 O ATOM 0 H ASP A 32 -4.531 -4.967 -8.410 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.359 -6.663 -9.763 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.984 -5.730 -10.442 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.312 -6.939 -9.365 1.00 18.01 H new ATOM 519 N LYS A 33 -4.943 -8.065 -7.125 1.00 14.22 N ATOM 520 CA LYS A 33 -5.005 -9.171 -6.196 1.00 14.00 C ATOM 521 C LYS A 33 -6.374 -9.355 -5.506 1.00 12.37 C ATOM 522 O LYS A 33 -6.725 -10.577 -5.300 1.00 12.17 O ATOM 523 CB LYS A 33 -3.957 -8.947 -5.072 1.00 18.62 C ATOM 524 CG LYS A 33 -2.515 -9.099 -5.590 1.00 24.00 C ATOM 525 CD LYS A 33 -1.976 -10.521 -5.671 1.00 27.61 C ATOM 526 CE LYS A 33 -0.512 -10.689 -6.181 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.132 -12.118 -6.217 1.00 30.06 N ATOM 0 H LYS A 33 -4.285 -7.346 -6.824 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.814 -10.063 -6.792 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.087 -7.951 -4.648 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.130 -9.661 -4.267 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.459 -8.654 -6.584 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.856 -8.519 -4.944 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.044 -10.967 -4.679 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.632 -11.096 -6.325 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.417 -10.257 -7.177 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.170 -10.142 -5.530 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.846 -12.209 -6.559 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.203 -12.520 -5.261 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.772 -12.631 -6.857 1.00 30.06 H new ATOM 541 N GLU A 34 -7.093 -8.263 -5.254 1.00 10.11 N ATOM 542 CA GLU A 34 -8.210 -8.288 -4.345 1.00 10.07 C ATOM 543 C GLU A 34 -9.388 -7.426 -4.681 1.00 9.32 C ATOM 544 O GLU A 34 -10.310 -7.452 -3.901 1.00 11.61 O ATOM 545 CB GLU A 34 -7.632 -7.736 -2.971 1.00 14.77 C ATOM 546 CG GLU A 34 -6.951 -8.771 -2.042 1.00 18.75 C ATOM 547 CD GLU A 34 -7.921 -9.716 -1.379 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.691 -9.244 -0.494 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.036 -10.914 -1.741 1.00 25.19 O ATOM 0 H GLU A 34 -6.912 -7.352 -5.674 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.593 -9.309 -4.355 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.909 -6.952 -3.196 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.449 -7.269 -2.421 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.232 -9.349 -2.622 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.389 -8.242 -1.273 1.00 18.75 H new ATOM 556 N GLY A 35 -9.474 -6.715 -5.789 1.00 7.22 N ATOM 557 CA GLY A 35 -10.694 -6.044 -6.270 1.00 6.29 C ATOM 558 C GLY A 35 -11.012 -4.686 -5.643 1.00 6.93 C ATOM 559 O GLY A 35 -12.016 -4.064 -5.930 1.00 7.41 O ATOM 0 H GLY A 35 -8.676 -6.576 -6.409 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.609 -5.911 -7.349 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.541 -6.708 -6.096 1.00 6.29 H new ATOM 563 N ILE A 36 -10.139 -4.165 -4.775 1.00 5.86 N ATOM 564 CA ILE A 36 -10.359 -3.045 -3.949 1.00 6.07 C ATOM 565 C ILE A 36 -9.889 -1.694 -4.586 1.00 6.36 C ATOM 566 O ILE A 36 -8.696 -1.641 -4.976 1.00 6.18 O ATOM 567 CB ILE A 36 -9.585 -3.140 -2.635 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.727 -4.525 -1.993 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.121 -2.090 -1.624 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.583 -4.857 -1.002 1.00 9.49 C ATOM 0 H ILE A 36 -9.209 -4.564 -4.647 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.439 -3.051 -3.800 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.536 -2.957 -2.868 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.681 -4.579 -1.468 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.751 -5.282 -2.777 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.563 -2.166 -0.691 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.999 -1.090 -2.039 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.177 -2.277 -1.431 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.742 -5.850 -0.582 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.628 -4.834 -1.527 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.573 -4.121 -0.198 1.00 9.49 H new ATOM 582 N PRO A 37 -10.701 -0.679 -4.795 1.00 8.65 N ATOM 583 CA PRO A 37 -10.271 0.476 -5.627 1.00 9.18 C ATOM 584 C PRO A 37 -9.151 1.305 -5.040 1.00 9.85 C ATOM 585 O PRO A 37 -9.126 1.444 -3.826 1.00 8.51 O ATOM 586 CB PRO A 37 -11.609 1.262 -5.668 1.00 11.42 C ATOM 587 CG PRO A 37 -12.706 0.253 -5.660 1.00 9.27 C ATOM 588 CD PRO A 37 -12.126 -0.822 -4.662 1.00 8.33 C ATOM 0 HA PRO A 37 -9.843 0.186 -6.587 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.691 1.928 -4.809 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.664 1.884 -6.561 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.649 0.673 -5.310 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.890 -0.162 -6.651 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.453 -0.636 -3.639 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.453 -1.828 -4.923 1.00 8.33 H new ATOM 596 N PRO A 38 -8.161 1.735 -5.859 1.00 8.71 N ATOM 597 CA PRO A 38 -7.135 2.646 -5.372 1.00 9.08 C ATOM 598 C PRO A 38 -7.576 3.912 -4.646 1.00 9.28 C ATOM 599 O PRO A 38 -6.916 4.484 -3.785 1.00 6.50 O ATOM 600 CB PRO A 38 -6.344 2.900 -6.634 1.00 10.31 C ATOM 601 CG PRO A 38 -6.517 1.629 -7.494 1.00 10.81 C ATOM 602 CD PRO A 38 -7.888 1.165 -7.128 1.00 12.00 C ATOM 0 HA PRO A 38 -6.576 2.203 -4.548 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.714 3.781 -7.158 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.293 3.081 -6.408 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.435 1.847 -8.559 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.761 0.879 -7.263 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.621 1.488 -7.868 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.935 0.077 -7.086 1.00 12.00 H new ATOM 610 N ASP A 39 -8.780 4.418 -4.925 1.00 11.20 N ATOM 611 CA ASP A 39 -9.287 5.569 -4.247 1.00 14.96 C ATOM 612 C ASP A 39 -9.715 5.282 -2.811 1.00 13.99 C ATOM 613 O ASP A 39 -9.608 6.142 -1.980 1.00 13.75 O ATOM 614 CB ASP A 39 -10.542 6.053 -5.046 1.00 24.16 C ATOM 615 CG ASP A 39 -10.914 7.487 -4.763 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.110 8.437 -4.925 1.00 34.22 O ATOM 617 OD2 ASP A 39 -12.094 7.683 -4.391 1.00 35.55 O ATOM 0 H ASP A 39 -9.412 4.030 -5.626 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.494 6.315 -4.199 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.351 5.938 -6.113 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.389 5.411 -4.803 1.00 24.16 H new ATOM 622 N GLN A 40 -10.237 4.062 -2.506 1.00 11.60 N ATOM 623 CA GLN A 40 -10.562 3.688 -1.160 1.00 10.76 C ATOM 624 C GLN A 40 -9.308 3.238 -0.414 1.00 8.01 C ATOM 625 O GLN A 40 -9.010 3.673 0.681 1.00 8.96 O ATOM 626 CB GLN A 40 -11.566 2.430 -1.207 1.00 11.14 C ATOM 627 CG GLN A 40 -12.964 2.808 -1.758 1.00 14.85 C ATOM 628 CD GLN A 40 -13.794 1.562 -2.100 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.328 0.494 -1.695 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.818 1.673 -2.913 1.00 18.16 N ATOM 0 H GLN A 40 -10.431 3.339 -3.199 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.008 4.545 -0.656 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.133 1.647 -1.829 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.674 2.017 -0.204 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.496 3.409 -1.020 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.850 3.425 -2.649 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.143 2.596 -3.201 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.289 0.836 -3.257 1.00 18.16 H new ATOM 639 N GLN A 41 -8.478 2.409 -1.023 1.00 6.52 N ATOM 640 CA GLN A 41 -7.144 2.110 -0.446 1.00 3.87 C ATOM 641 C GLN A 41 -6.251 3.229 0.149 1.00 4.79 C ATOM 642 O GLN A 41 -6.031 4.254 -0.506 1.00 6.34 O ATOM 643 CB GLN A 41 -6.234 1.351 -1.459 1.00 4.20 C ATOM 644 CG GLN A 41 -6.787 -0.003 -1.914 1.00 3.20 C ATOM 645 CD GLN A 41 -5.781 -0.530 -2.958 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.578 -0.430 -2.747 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.281 -1.094 -4.087 1.00 7.13 N ATOM 0 H GLN A 41 -8.682 1.931 -1.900 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.487 1.536 0.415 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.082 1.981 -2.335 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.255 1.196 -1.005 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.878 -0.692 -1.074 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.781 0.105 -2.347 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.290 -1.157 -4.222 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.648 -1.455 -4.800 1.00 7.13 H new ATOM 656 N ARG A 42 -5.706 2.966 1.330 1.00 5.73 N ATOM 657 CA ARG A 42 -4.555 3.674 1.781 1.00 6.97 C ATOM 658 C ARG A 42 -3.679 2.692 2.500 1.00 7.15 C ATOM 659 O ARG A 42 -4.127 1.617 2.917 1.00 7.33 O ATOM 660 CB ARG A 42 -4.889 4.880 2.634 1.00 13.23 C ATOM 661 CG ARG A 42 -5.704 5.947 1.925 1.00 21.27 C ATOM 662 CD ARG A 42 -5.817 7.218 2.794 1.00 26.14 C ATOM 663 NE ARG A 42 -6.545 8.289 2.095 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.698 9.537 2.589 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.929 9.694 3.855 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.698 10.618 1.804 1.00 36.39 N ATOM 0 H ARG A 42 -6.056 2.263 1.981 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.030 4.094 0.923 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.439 4.546 3.514 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -3.960 5.326 2.989 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.238 6.193 0.971 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.700 5.563 1.703 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.329 6.978 3.726 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.819 7.568 3.059 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.957 8.077 1.186 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.993 8.880 4.466 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.046 10.631 4.240 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.580 10.516 0.796 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.816 11.545 2.213 1.00 36.39 H new ATOM 680 N LEU A 43 -2.377 3.049 2.604 1.00 4.65 N ATOM 681 CA LEU A 43 -1.402 2.218 3.269 1.00 3.51 C ATOM 682 C LEU A 43 -0.757 3.054 4.329 1.00 5.56 C ATOM 683 O LEU A 43 -0.043 4.038 4.055 1.00 4.19 O ATOM 684 CB LEU A 43 -0.327 1.707 2.283 1.00 3.74 C ATOM 685 CG LEU A 43 -0.938 0.728 1.282 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.086 0.398 0.146 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.425 -0.593 1.941 1.00 6.41 C ATOM 0 H LEU A 43 -1.997 3.917 2.226 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.893 1.343 3.694 1.00 3.51 H new ATOM 0 HB2 LEU A 43 0.117 2.549 1.752 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.477 1.218 2.834 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.814 1.224 0.865 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.365 -0.301 -0.559 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.358 1.315 -0.376 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.979 -0.051 0.580 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.849 -1.246 1.178 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.583 -1.093 2.419 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.186 -0.368 2.689 1.00 6.41 H new ATOM 699 N ILE A 44 -0.960 2.680 5.600 1.00 4.58 N ATOM 700 CA ILE A 44 -0.186 3.206 6.767 1.00 5.55 C ATOM 701 C ILE A 44 1.056 2.335 6.989 1.00 5.46 C ATOM 702 O ILE A 44 0.962 1.132 7.137 1.00 6.04 O ATOM 703 CB ILE A 44 -1.004 3.379 8.106 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.135 4.414 7.944 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.014 3.846 9.256 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.145 4.507 9.041 1.00 13.90 C ATOM 0 H ILE A 44 -1.670 1.997 5.865 1.00 4.58 H new ATOM 0 HA ILE A 44 0.097 4.224 6.500 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.460 2.423 8.362 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.678 5.396 7.823 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.664 4.192 7.017 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.569 3.969 10.186 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.764 3.095 9.394 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.444 4.796 8.979 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.880 5.274 8.795 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.647 3.546 9.156 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.646 4.769 9.974 1.00 13.90 H new ATOM 718 N PHE A 45 2.186 2.972 7.059 1.00 6.75 N ATOM 719 CA PHE A 45 3.413 2.278 7.341 1.00 4.70 C ATOM 720 C PHE A 45 4.095 3.037 8.420 1.00 6.34 C ATOM 721 O PHE A 45 4.600 4.125 8.139 1.00 5.45 O ATOM 722 CB PHE A 45 4.256 2.127 6.028 1.00 5.51 C ATOM 723 CG PHE A 45 5.716 1.605 6.204 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.007 0.315 6.626 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.728 2.551 6.157 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.328 -0.003 7.041 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.044 2.278 6.578 1.00 6.64 C ATOM 728 CZ PHE A 45 8.343 0.988 7.062 1.00 6.84 C ATOM 0 H PHE A 45 2.287 3.978 6.924 1.00 6.75 H new ATOM 0 HA PHE A 45 3.250 1.258 7.690 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.728 1.449 5.358 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.296 3.097 5.533 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.236 -0.441 6.639 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.498 3.537 5.782 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.563 -1.013 7.345 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.808 3.040 6.531 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.327 0.758 7.442 1.00 6.84 H new ATOM 738 N ALA A 46 4.262 2.477 9.668 1.00 6.53 N ATOM 739 CA ALA A 46 5.010 3.052 10.801 1.00 7.15 C ATOM 740 C ALA A 46 4.657 4.499 11.025 1.00 9.00 C ATOM 741 O ALA A 46 5.446 5.354 11.367 1.00 11.15 O ATOM 742 CB ALA A 46 6.490 2.741 10.633 1.00 8.99 C ATOM 0 H ALA A 46 3.853 1.572 9.901 1.00 6.53 H new ATOM 0 HA ALA A 46 4.713 2.582 11.739 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.048 3.164 11.468 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.635 1.661 10.610 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.849 3.175 9.700 1.00 8.99 H new ATOM 748 N GLY A 47 3.316 4.652 11.126 1.00 9.35 N ATOM 749 CA GLY A 47 2.659 5.915 11.502 1.00 11.68 C ATOM 750 C GLY A 47 2.518 6.839 10.399 1.00 11.14 C ATOM 751 O GLY A 47 1.958 7.946 10.476 1.00 13.93 O ATOM 0 H GLY A 47 2.659 3.893 10.946 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.673 5.695 11.911 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.234 6.393 12.295 1.00 11.68 H new ATOM 755 N LYS A 48 2.930 6.416 9.204 1.00 10.47 N ATOM 756 CA LYS A 48 3.002 7.212 8.033 1.00 8.82 C ATOM 757 C LYS A 48 1.942 6.838 7.011 1.00 7.68 C ATOM 758 O LYS A 48 1.959 5.747 6.394 1.00 6.47 O ATOM 759 CB LYS A 48 4.388 7.151 7.313 1.00 9.74 C ATOM 760 CG LYS A 48 5.531 7.554 8.281 1.00 14.14 C ATOM 761 CD LYS A 48 6.857 7.392 7.524 1.00 16.32 C ATOM 762 CE LYS A 48 8.068 7.649 8.398 1.00 20.04 C ATOM 763 NZ LYS A 48 8.601 9.027 8.274 1.00 23.92 N ATOM 0 H LYS A 48 3.233 5.455 9.045 1.00 10.47 H new ATOM 0 HA LYS A 48 2.837 8.225 8.401 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.563 6.143 6.936 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.384 7.817 6.450 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.404 8.583 8.616 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.519 6.925 9.171 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.916 6.383 7.117 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.873 8.079 6.678 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.802 7.462 9.438 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.853 6.939 8.137 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.427 9.137 8.896 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.884 9.202 7.289 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.866 9.710 8.550 1.00 23.92 H new ATOM 777 N GLN A 49 0.868 7.691 6.791 1.00 8.89 N ATOM 778 CA GLN A 49 -0.048 7.426 5.731 1.00 7.18 C ATOM 779 C GLN A 49 0.500 7.880 4.431 1.00 8.23 C ATOM 780 O GLN A 49 0.508 9.077 4.029 1.00 9.70 O ATOM 781 CB GLN A 49 -1.411 8.140 5.960 1.00 11.67 C ATOM 782 CG GLN A 49 -2.545 7.716 5.036 1.00 15.82 C ATOM 783 CD GLN A 49 -3.840 8.266 5.584 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.743 7.471 5.858 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.957 9.601 5.758 1.00 20.67 N ATOM 0 H GLN A 49 0.665 8.525 7.341 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.202 6.347 5.716 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.722 7.966 6.990 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.260 9.214 5.850 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.371 8.090 4.027 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.593 6.629 4.969 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.181 10.217 5.516 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.822 9.993 6.131 1.00 20.67 H new ATOM 794 N LEU A 50 1.003 6.867 3.693 1.00 6.51 N ATOM 795 CA LEU A 50 1.755 6.950 2.421 1.00 7.41 C ATOM 796 C LEU A 50 0.884 7.495 1.253 1.00 8.27 C ATOM 797 O LEU A 50 -0.281 7.177 1.140 1.00 8.34 O ATOM 798 CB LEU A 50 2.326 5.610 1.979 1.00 7.13 C ATOM 799 CG LEU A 50 3.036 4.802 3.049 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.507 3.439 2.547 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.230 5.560 3.699 1.00 9.11 C ATOM 0 H LEU A 50 0.886 5.899 3.992 1.00 6.51 H new ATOM 0 HA LEU A 50 2.571 7.640 2.635 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.513 5.006 1.576 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.026 5.788 1.162 1.00 7.13 H new ATOM 0 HG LEU A 50 2.279 4.644 3.817 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.008 2.907 3.356 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.648 2.860 2.208 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.202 3.577 1.719 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.694 4.927 4.455 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.964 5.808 2.933 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.869 6.477 4.165 1.00 9.11 H new ATOM 813 N GLU A 51 1.455 8.304 0.406 1.00 9.43 N ATOM 814 CA GLU A 51 0.647 9.118 -0.512 1.00 11.90 C ATOM 815 C GLU A 51 0.982 8.773 -1.948 1.00 11.49 C ATOM 816 O GLU A 51 2.113 8.387 -2.278 1.00 9.88 O ATOM 817 CB GLU A 51 0.903 10.668 -0.383 1.00 16.56 C ATOM 818 CG GLU A 51 0.833 11.151 1.111 1.00 26.06 C ATOM 819 CD GLU A 51 1.123 12.635 1.219 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.368 13.449 0.601 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.123 13.034 1.871 1.00 32.13 O ATOM 0 H GLU A 51 2.463 8.430 0.318 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.386 8.895 -0.245 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.882 10.910 -0.797 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.164 11.209 -0.974 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.156 10.940 1.519 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.551 10.592 1.711 1.00 26.06 H new ATOM 828 N ASP A 52 -0.036 8.865 -2.826 1.00 12.71 N ATOM 829 CA ASP A 52 -0.113 8.133 -4.105 1.00 16.56 C ATOM 830 C ASP A 52 1.124 8.246 -5.021 1.00 15.83 C ATOM 831 O ASP A 52 1.744 7.241 -5.453 1.00 17.21 O ATOM 832 CB ASP A 52 -1.382 8.490 -4.947 1.00 21.05 C ATOM 833 CG ASP A 52 -2.708 8.460 -4.165 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.745 9.054 -3.034 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.694 7.848 -4.643 1.00 25.82 O ATOM 0 H ASP A 52 -0.845 9.464 -2.662 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.168 7.100 -3.762 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.250 9.485 -5.372 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.454 7.793 -5.782 1.00 21.05 H new ATOM 840 N GLY A 53 1.545 9.489 -5.247 1.00 15.00 N ATOM 841 CA GLY A 53 2.611 9.919 -6.175 1.00 11.77 C ATOM 842 C GLY A 53 4.004 9.986 -5.634 1.00 11.10 C ATOM 843 O GLY A 53 4.753 10.911 -5.968 1.00 11.25 O ATOM 0 H GLY A 53 1.128 10.282 -4.759 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.612 9.239 -7.027 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.349 10.906 -6.556 1.00 11.77 H new ATOM 847 N ARG A 54 4.368 9.071 -4.702 1.00 8.53 N ATOM 848 CA ARG A 54 5.691 8.889 -4.126 1.00 9.05 C ATOM 849 C ARG A 54 6.035 7.462 -4.313 1.00 8.96 C ATOM 850 O ARG A 54 5.147 6.609 -4.381 1.00 11.60 O ATOM 851 CB ARG A 54 5.686 9.227 -2.621 1.00 7.97 C ATOM 852 CG ARG A 54 5.504 10.734 -2.257 1.00 9.62 C ATOM 853 CD ARG A 54 6.802 11.516 -2.440 1.00 12.20 C ATOM 854 NE ARG A 54 6.650 12.708 -1.558 1.00 18.23 N ATOM 855 CZ ARG A 54 7.668 13.342 -0.966 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.887 13.076 -1.053 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.307 14.431 -0.307 1.00 23.38 N ATOM 0 H ARG A 54 3.693 8.408 -4.320 1.00 8.53 H new ATOM 0 HA ARG A 54 6.414 9.548 -4.607 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.886 8.660 -2.145 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.624 8.880 -2.188 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.725 11.169 -2.883 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.168 10.822 -1.224 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.668 10.919 -2.154 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.946 11.808 -3.480 1.00 12.20 H new ATOM 0 HE ARG A 54 5.708 13.063 -1.395 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.199 12.294 -1.629 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.570 13.641 -0.548 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.327 14.713 -0.286 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.009 14.988 0.181 1.00 23.38 H new ATOM 871 N THR A 55 7.335 7.136 -4.413 1.00 9.05 N ATOM 872 CA THR A 55 7.840 5.761 -4.461 1.00 9.03 C ATOM 873 C THR A 55 8.198 5.136 -3.068 1.00 8.15 C ATOM 874 O THR A 55 8.577 5.802 -2.069 1.00 5.91 O ATOM 875 CB THR A 55 9.064 5.410 -5.375 1.00 11.15 C ATOM 876 OG1 THR A 55 10.249 6.081 -4.852 1.00 11.95 O ATOM 877 CG2 THR A 55 8.849 5.921 -6.815 1.00 11.71 C ATOM 0 H THR A 55 8.075 7.837 -4.463 1.00 9.05 H new ATOM 0 HA THR A 55 6.945 5.336 -4.916 1.00 9.03 H new ATOM 0 HB THR A 55 9.179 4.326 -5.384 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.968 5.426 -4.729 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.714 5.663 -7.426 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.957 5.458 -7.236 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.724 7.004 -6.802 1.00 11.71 H new ATOM 885 N LEU A 56 8.198 3.788 -3.049 1.00 6.91 N ATOM 886 CA LEU A 56 8.793 3.014 -2.001 1.00 8.29 C ATOM 887 C LEU A 56 10.176 3.396 -1.510 1.00 8.05 C ATOM 888 O LEU A 56 10.525 3.328 -0.296 1.00 10.17 O ATOM 889 CB LEU A 56 8.664 1.548 -2.395 1.00 6.60 C ATOM 890 CG LEU A 56 7.177 1.008 -2.511 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.097 -0.395 -3.199 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.507 0.928 -1.137 1.00 8.64 C ATOM 0 H LEU A 56 7.772 3.222 -3.783 1.00 6.91 H new ATOM 0 HA LEU A 56 8.233 3.245 -1.095 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.163 1.401 -3.353 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.197 0.943 -1.662 1.00 6.60 H new ATOM 0 HG LEU A 56 6.648 1.726 -3.138 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.057 -0.716 -3.252 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.508 -0.330 -4.206 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.670 -1.118 -2.619 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.489 0.555 -1.250 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.072 0.252 -0.495 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.482 1.920 -0.686 1.00 8.64 H new ATOM 904 N SER A 57 11.091 3.684 -2.441 1.00 8.92 N ATOM 905 CA SER A 57 12.433 4.112 -2.309 1.00 9.00 C ATOM 906 C SER A 57 12.656 5.454 -1.693 1.00 9.44 C ATOM 907 O SER A 57 13.610 5.660 -0.935 1.00 10.91 O ATOM 908 CB SER A 57 13.188 3.992 -3.594 1.00 10.32 C ATOM 909 OG SER A 57 12.542 4.618 -4.711 1.00 13.59 O ATOM 0 H SER A 57 10.844 3.602 -3.427 1.00 8.92 H new ATOM 0 HA SER A 57 12.833 3.412 -1.576 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.176 4.433 -3.465 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.337 2.936 -3.819 1.00 10.32 H new ATOM 0 HG SER A 57 13.091 4.501 -5.514 1.00 13.59 H new ATOM 915 N ASP A 58 11.750 6.404 -1.952 1.00 9.11 N ATOM 916 CA ASP A 58 11.772 7.705 -1.317 1.00 7.91 C ATOM 917 C ASP A 58 11.414 7.565 0.184 1.00 9.12 C ATOM 918 O ASP A 58 11.951 8.261 1.035 1.00 8.61 O ATOM 919 CB ASP A 58 10.663 8.550 -2.006 1.00 8.41 C ATOM 920 CG ASP A 58 10.691 9.996 -1.641 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.532 10.791 -2.190 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.916 10.445 -0.751 1.00 11.70 O ATOM 0 H ASP A 58 10.982 6.281 -2.612 1.00 9.11 H new ATOM 0 HA ASP A 58 12.757 8.163 -1.406 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.767 8.456 -3.087 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.689 8.138 -1.742 1.00 8.41 H new ATOM 927 N TYR A 59 10.474 6.684 0.553 1.00 7.97 N ATOM 928 CA TYR A 59 10.011 6.501 1.931 1.00 8.45 C ATOM 929 C TYR A 59 10.921 5.624 2.780 1.00 10.98 C ATOM 930 O TYR A 59 10.806 5.605 4.008 1.00 12.95 O ATOM 931 CB TYR A 59 8.558 5.856 1.879 1.00 7.94 C ATOM 932 CG TYR A 59 7.410 6.886 1.678 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.150 7.762 2.715 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.598 6.868 0.561 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.064 8.624 2.668 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.525 7.753 0.530 1.00 6.52 C ATOM 937 CZ TYR A 59 5.254 8.670 1.557 1.00 6.76 C ATOM 938 OH TYR A 59 4.112 9.481 1.391 1.00 7.63 O ATOM 0 H TYR A 59 10.007 6.068 -0.112 1.00 7.97 H new ATOM 0 HA TYR A 59 10.011 7.482 2.407 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.524 5.129 1.068 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.382 5.309 2.805 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.803 7.776 3.575 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.789 6.191 -0.259 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.853 9.265 3.511 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.868 7.733 -0.327 1.00 6.52 H new ATOM 0 HH TYR A 59 4.002 9.701 0.442 1.00 7.63 H new ATOM 948 N ASN A 60 11.822 4.908 2.157 1.00 12.38 N ATOM 949 CA ASN A 60 12.684 3.941 2.688 1.00 13.94 C ATOM 950 C ASN A 60 11.929 2.747 3.294 1.00 14.16 C ATOM 951 O ASN A 60 12.269 2.292 4.373 1.00 14.26 O ATOM 952 CB ASN A 60 13.728 4.544 3.651 1.00 19.23 C ATOM 953 CG ASN A 60 14.544 5.578 2.950 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.251 5.309 1.963 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.528 6.826 3.498 1.00 24.09 N ATOM 0 H ASN A 60 11.967 5.019 1.153 1.00 12.38 H new ATOM 0 HA ASN A 60 13.250 3.540 1.847 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.226 4.989 4.510 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.377 3.756 4.033 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.105 7.566 3.098 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.939 7.020 4.308 1.00 24.09 H new ATOM 962 N ILE A 61 10.954 2.178 2.550 1.00 11.08 N ATOM 963 CA ILE A 61 10.386 0.904 2.900 1.00 11.78 C ATOM 964 C ILE A 61 11.295 -0.195 2.423 1.00 13.74 C ATOM 965 O ILE A 61 11.624 -0.386 1.239 1.00 14.60 O ATOM 966 CB ILE A 61 8.967 0.770 2.332 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.997 1.819 2.921 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.427 -0.680 2.478 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.772 2.041 2.113 1.00 11.42 C ATOM 0 H ILE A 61 10.560 2.599 1.709 1.00 11.08 H new ATOM 0 HA ILE A 61 10.299 0.825 3.984 1.00 11.78 H new ATOM 0 HB ILE A 61 9.031 0.981 1.264 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.705 1.504 3.923 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.525 2.767 3.026 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.420 -0.737 2.065 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.079 -1.367 1.939 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.403 -0.955 3.533 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.147 2.791 2.598 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.050 2.388 1.118 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.217 1.107 2.029 1.00 11.42 H new ATOM 981 N GLN A 62 11.760 -1.051 3.387 1.00 13.97 N ATOM 982 CA GLN A 62 12.541 -2.229 3.103 1.00 15.52 C ATOM 983 C GLN A 62 11.690 -3.437 2.852 1.00 13.94 C ATOM 984 O GLN A 62 10.497 -3.585 3.137 1.00 12.15 O ATOM 985 CB GLN A 62 13.537 -2.345 4.316 1.00 19.53 C ATOM 986 CG GLN A 62 14.185 -0.966 4.644 1.00 26.38 C ATOM 987 CD GLN A 62 15.496 -1.077 5.509 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.576 -0.592 5.124 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.446 -1.776 6.637 1.00 32.71 N ATOM 0 H GLN A 62 11.584 -0.912 4.382 1.00 13.97 H new ATOM 0 HA GLN A 62 13.098 -2.156 2.169 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.006 -2.718 5.192 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.316 -3.070 4.082 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.417 -0.452 3.711 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.460 -0.350 5.176 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.561 -2.173 6.952 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.293 -1.916 7.188 1.00 32.71 H new ATOM 998 N LYS A 63 12.338 -4.428 2.357 1.00 11.73 N ATOM 999 CA LYS A 63 11.849 -5.766 2.197 1.00 11.97 C ATOM 1000 C LYS A 63 11.315 -6.427 3.447 1.00 10.41 C ATOM 1001 O LYS A 63 11.892 -6.235 4.540 1.00 9.59 O ATOM 1002 CB LYS A 63 12.979 -6.654 1.689 1.00 13.73 C ATOM 1003 CG LYS A 63 14.219 -6.635 2.561 1.00 16.98 C ATOM 1004 CD LYS A 63 15.335 -7.374 1.904 1.00 20.19 C ATOM 1005 CE LYS A 63 16.663 -7.269 2.744 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.736 -7.887 1.960 1.00 25.97 N ATOM 0 H LYS A 63 13.297 -4.326 2.026 1.00 11.73 H new ATOM 0 HA LYS A 63 11.014 -5.667 1.504 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.616 -7.679 1.614 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.251 -6.338 0.682 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.520 -5.605 2.751 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.997 -7.086 3.528 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.060 -8.422 1.784 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.502 -6.972 0.905 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.898 -6.227 2.959 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.550 -7.775 3.703 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.629 -7.833 2.490 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.502 -8.884 1.777 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.839 -7.384 1.056 1.00 25.97 H new ATOM 1020 N GLU A 64 10.235 -7.182 3.288 1.00 10.04 N ATOM 1021 CA GLU A 64 9.511 -7.841 4.340 1.00 10.94 C ATOM 1022 C GLU A 64 8.899 -6.856 5.371 1.00 9.74 C ATOM 1023 O GLU A 64 8.713 -7.242 6.518 1.00 9.42 O ATOM 1024 CB GLU A 64 10.330 -8.974 4.983 1.00 18.31 C ATOM 1025 CG GLU A 64 10.675 -10.158 3.972 1.00 24.16 C ATOM 1026 CD GLU A 64 11.271 -11.310 4.676 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.377 -11.381 5.924 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.758 -12.276 3.909 1.00 31.72 O ATOM 0 H GLU A 64 9.828 -7.353 2.368 1.00 10.04 H new ATOM 0 HA GLU A 64 8.651 -8.319 3.871 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.258 -8.562 5.379 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.775 -9.379 5.829 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.768 -10.474 3.456 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.366 -9.798 3.210 1.00 24.16 H new ATOM 1035 N SER A 65 8.516 -5.629 4.942 1.00 6.85 N ATOM 1036 CA SER A 65 7.933 -4.622 5.819 1.00 6.90 C ATOM 1037 C SER A 65 6.410 -4.967 5.888 1.00 4.72 C ATOM 1038 O SER A 65 5.878 -5.513 4.904 1.00 3.91 O ATOM 1039 CB SER A 65 8.164 -3.179 5.400 1.00 7.28 C ATOM 1040 OG SER A 65 9.528 -2.782 5.634 1.00 10.56 O ATOM 0 H SER A 65 8.609 -5.323 3.973 1.00 6.85 H new ATOM 0 HA SER A 65 8.425 -4.666 6.791 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.924 -3.061 4.343 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.491 -2.524 5.954 1.00 7.28 H new ATOM 0 HG SER A 65 10.072 -3.001 4.849 1.00 10.56 H new ATOM 1046 N THR A 66 5.732 -4.575 6.924 1.00 4.48 N ATOM 1047 CA THR A 66 4.271 -4.687 7.112 1.00 3.80 C ATOM 1048 C THR A 66 3.498 -3.417 6.946 1.00 4.60 C ATOM 1049 O THR A 66 3.804 -2.440 7.667 1.00 5.33 O ATOM 1050 CB THR A 66 3.783 -5.237 8.488 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.721 -6.289 8.866 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.322 -5.875 8.491 1.00 3.40 C ATOM 0 H THR A 66 6.189 -4.138 7.724 1.00 4.48 H new ATOM 0 HA THR A 66 4.073 -5.399 6.311 1.00 3.80 H new ATOM 0 HB THR A 66 3.740 -4.390 9.173 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.457 -6.668 9.730 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.080 -6.226 9.494 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.596 -5.122 8.185 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.290 -6.714 7.795 1.00 3.40 H new ATOM 1060 N LEU A 67 2.609 -3.373 5.979 1.00 4.17 N ATOM 1061 CA LEU A 67 1.939 -2.207 5.590 1.00 3.85 C ATOM 1062 C LEU A 67 0.427 -2.367 5.740 1.00 3.80 C ATOM 1063 O LEU A 67 -0.218 -3.366 5.318 1.00 5.54 O ATOM 1064 CB LEU A 67 2.156 -1.924 4.014 1.00 7.18 C ATOM 1065 CG LEU A 67 3.558 -1.523 3.533 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.554 -2.697 3.428 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.462 -0.835 2.127 1.00 11.66 C ATOM 0 H LEU A 67 2.341 -4.194 5.437 1.00 4.17 H new ATOM 0 HA LEU A 67 2.334 -1.408 6.218 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.863 -2.823 3.471 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.465 -1.134 3.720 1.00 7.18 H new ATOM 0 HG LEU A 67 3.942 -0.842 4.293 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.519 -2.326 3.082 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.674 -3.161 4.407 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.174 -3.435 2.721 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.460 -0.553 1.791 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.021 -1.529 1.412 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.838 0.056 2.200 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.188 -1.432 6.445 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.520 -1.546 6.962 1.00 4.17 C ATOM 1081 C HIS A 68 -2.538 -1.083 5.930 1.00 5.32 C ATOM 1082 O HIS A 68 -2.512 0.108 5.622 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.776 -0.735 8.274 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.853 -1.390 9.315 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.441 -0.986 9.389 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.969 -2.485 10.063 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.108 -1.851 10.222 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.252 -2.816 10.679 1.00 16.30 N ATOM 0 H HIS A 68 0.254 -0.542 6.676 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.633 -2.604 7.196 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.539 0.321 8.141 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.821 -0.791 8.578 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.847 -0.182 8.910 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.883 -3.047 10.182 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.155 -1.780 10.479 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.388 -1.947 5.361 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.455 -1.540 4.452 1.00 3.97 C ATOM 1098 C LEU A 69 -5.594 -0.842 5.244 1.00 5.07 C ATOM 1099 O LEU A 69 -6.300 -1.417 6.027 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.951 -2.742 3.592 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.727 -2.410 2.394 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.026 -1.498 1.409 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.118 -3.670 1.654 1.00 9.96 C ATOM 0 H LEU A 69 -3.350 -2.953 5.523 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.065 -0.809 3.744 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.082 -3.324 3.286 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.560 -3.387 4.225 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.594 -1.870 2.775 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.680 -1.311 0.557 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.785 -0.553 1.896 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.108 -1.973 1.064 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.694 -3.407 0.767 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.220 -4.211 1.356 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.723 -4.301 2.305 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.812 0.474 5.006 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.867 1.181 5.707 1.00 6.26 C ATOM 1117 C VAL A 70 -7.683 2.007 4.722 1.00 9.22 C ATOM 1118 O VAL A 70 -7.146 2.720 3.911 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.324 2.084 6.813 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.150 1.271 8.080 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -4.932 2.678 6.489 1.00 8.54 C ATOM 0 H VAL A 70 -5.277 1.040 4.348 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.502 0.431 6.178 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.043 2.896 6.919 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.763 1.911 8.873 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.113 0.860 8.384 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.449 0.456 7.896 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -4.605 3.309 7.315 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.216 1.869 6.344 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.994 3.275 5.579 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.991 1.750 4.711 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.807 2.179 3.601 1.00 16.06 C ATOM 1133 C LEU A 71 -10.646 3.454 3.822 1.00 18.09 C ATOM 1134 O LEU A 71 -11.461 3.553 4.753 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.725 1.046 3.053 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.090 -0.384 2.759 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.152 -1.467 2.402 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.984 -0.229 1.783 1.00 19.57 C ATOM 0 H LEU A 71 -9.491 1.255 5.449 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.054 2.441 2.858 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.537 0.906 3.767 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.173 1.404 2.126 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.654 -0.785 3.674 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.653 -2.418 2.213 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.848 -1.581 3.233 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.698 -1.161 1.510 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.543 -1.204 1.575 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.372 0.198 0.858 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.223 0.433 2.197 1.00 19.57 H new