USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ -177:sc= 0.525 (180deg=-0.338) USER MOD Set 1.2: A 12 THR OG1 : rot 120:sc= -0.925! USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.0068 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 1 MET CE :methyl -152:sc= -0.0828 (180deg=-0.849) USER MOD Single : A 1 MET N :NH3+ 178:sc= 2.42 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= -0.82 K(o=-0.82,f=-3.4!) USER MOD Single : A 11 LYS NZ :NH3+ -127:sc= 0.988 (180deg=0.0675) USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.667 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= 0.994 K(o=0.99,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.29 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0289) USER MOD Single : A 40 GLN : amide:sc= 0.885 K(o=0.88,f=-8.2!) USER MOD Single : A 41 GLN : amide:sc= 0.588 K(o=0.59,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.775 K(o=0.77,f=-6.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -73:sc= 0.185 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.581 USER MOD Single : A 60 ASN : amide:sc=-0.000677 X(o=-0.00068,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.661 K(o=-0.66,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 75:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.449 X(o=-0.45,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.078 -7.195 -4.704 1.00 9.67 N ATOM 2 CA MET A 1 11.134 -7.582 -3.300 1.00 10.38 C ATOM 3 C MET A 1 9.767 -7.826 -2.818 1.00 9.62 C ATOM 4 O MET A 1 8.766 -7.237 -3.276 1.00 9.62 O ATOM 5 CB MET A 1 11.846 -6.447 -2.508 1.00 13.77 C ATOM 6 CG MET A 1 11.028 -5.214 -2.244 1.00 16.29 C ATOM 7 SD MET A 1 11.978 -4.009 -1.330 1.00 17.17 S ATOM 8 CE MET A 1 10.600 -2.842 -1.158 1.00 16.11 C ATOM 0 H1 MET A 1 12.038 -6.987 -5.045 1.00 9.67 H new ATOM 0 H2 MET A 1 10.673 -7.973 -5.263 1.00 9.67 H new ATOM 0 H3 MET A 1 10.483 -6.348 -4.807 1.00 9.67 H new ATOM 0 HA MET A 1 11.701 -8.502 -3.159 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.177 -6.851 -1.551 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.741 -6.154 -3.057 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.697 -4.782 -3.188 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.132 -5.479 -1.683 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.990 -1.827 -1.078 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.951 -2.914 -2.031 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.029 -3.083 -0.261 1.00 16.11 H new ATOM 20 N GLN A 2 9.619 -8.728 -1.892 1.00 9.27 N ATOM 21 CA GLN A 2 8.336 -8.940 -1.166 1.00 9.07 C ATOM 22 C GLN A 2 7.917 -7.807 -0.180 1.00 8.72 C ATOM 23 O GLN A 2 8.746 -7.168 0.416 1.00 8.22 O ATOM 24 CB GLN A 2 8.314 -10.130 -0.163 1.00 14.46 C ATOM 25 CG GLN A 2 8.430 -11.503 -0.799 1.00 17.01 C ATOM 26 CD GLN A 2 8.324 -12.571 0.321 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.446 -13.422 0.373 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.375 -12.652 1.142 1.00 19.49 N ATOM 0 H GLN A 2 10.368 -9.354 -1.596 1.00 9.27 H new ATOM 0 HA GLN A 2 7.695 -9.056 -2.040 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.132 -10.004 0.546 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.387 -10.087 0.409 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.641 -11.647 -1.537 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.380 -11.598 -1.325 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.109 -11.945 1.102 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.443 -13.421 1.809 1.00 19.49 H new ATOM 37 N ILE A 3 6.577 -7.497 -0.076 1.00 5.87 N ATOM 38 CA ILE A 3 6.001 -6.637 0.995 1.00 5.07 C ATOM 39 C ILE A 3 4.747 -7.434 1.508 1.00 4.01 C ATOM 40 O ILE A 3 4.179 -8.231 0.803 1.00 4.61 O ATOM 41 CB ILE A 3 5.569 -5.221 0.559 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.859 -5.257 -0.766 1.00 4.72 C ATOM 43 CG2 ILE A 3 6.857 -4.423 0.485 1.00 5.58 C ATOM 44 CD1 ILE A 3 3.998 -3.982 -0.961 1.00 10.83 C ATOM 0 H ILE A 3 5.879 -7.841 -0.735 1.00 5.87 H new ATOM 0 HA ILE A 3 6.769 -6.451 1.746 1.00 5.07 H new ATOM 0 HB ILE A 3 4.861 -4.773 1.257 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.588 -5.337 -1.573 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.225 -6.142 -0.821 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.634 -3.400 0.180 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.336 -4.414 1.464 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.527 -4.881 -0.242 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.493 -4.028 -1.926 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.256 -3.919 -0.165 1.00 10.83 H new ATOM 0 HD13 ILE A 3 4.640 -3.101 -0.929 1.00 10.83 H new ATOM 56 N PHE A 4 4.400 -7.180 2.753 1.00 4.55 N ATOM 57 CA PHE A 4 3.318 -7.786 3.497 1.00 4.68 C ATOM 58 C PHE A 4 2.216 -6.864 3.883 1.00 5.30 C ATOM 59 O PHE A 4 2.379 -6.143 4.871 1.00 5.58 O ATOM 60 CB PHE A 4 3.878 -8.526 4.752 1.00 4.83 C ATOM 61 CG PHE A 4 4.817 -9.624 4.326 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.277 -10.770 3.708 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.192 -9.525 4.519 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.134 -11.872 3.472 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.025 -10.589 4.274 1.00 10.61 C ATOM 66 CZ PHE A 4 6.472 -11.736 3.769 1.00 8.90 C ATOM 0 H PHE A 4 4.906 -6.493 3.312 1.00 4.55 H new ATOM 0 HA PHE A 4 2.858 -8.495 2.808 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.400 -7.820 5.398 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.057 -8.944 5.334 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.236 -10.807 3.422 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.612 -8.593 4.868 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.748 -12.797 3.069 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.084 -10.523 4.474 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.122 -12.581 3.594 1.00 8.90 H new ATOM 76 N VAL A 5 1.096 -6.789 3.172 1.00 4.44 N ATOM 77 CA VAL A 5 0.019 -5.807 3.423 1.00 3.87 C ATOM 78 C VAL A 5 -0.996 -6.404 4.314 1.00 4.93 C ATOM 79 O VAL A 5 -1.633 -7.420 3.953 1.00 6.84 O ATOM 80 CB VAL A 5 -0.651 -5.496 2.051 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.806 -4.500 2.165 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.445 -4.909 1.134 1.00 9.13 C ATOM 0 H VAL A 5 0.897 -7.413 2.390 1.00 4.44 H new ATOM 0 HA VAL A 5 0.422 -4.907 3.886 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.076 -6.416 1.651 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.233 -4.323 1.178 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.573 -4.906 2.824 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.437 -3.560 2.574 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.017 -4.676 0.159 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.845 -3.999 1.582 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.247 -5.637 1.014 1.00 9.13 H new ATOM 92 N LYS A 6 -1.203 -5.954 5.606 1.00 6.04 N ATOM 93 CA LYS A 6 -2.352 -6.384 6.383 1.00 6.12 C ATOM 94 C LYS A 6 -3.636 -5.779 5.945 1.00 6.57 C ATOM 95 O LYS A 6 -3.828 -4.550 5.848 1.00 5.76 O ATOM 96 CB LYS A 6 -2.127 -6.272 7.929 1.00 7.45 C ATOM 97 CG LYS A 6 -0.956 -7.219 8.249 1.00 11.12 C ATOM 98 CD LYS A 6 -0.703 -7.195 9.808 1.00 14.54 C ATOM 99 CE LYS A 6 0.430 -8.165 10.239 1.00 18.84 C ATOM 100 NZ LYS A 6 0.050 -9.477 9.936 1.00 20.55 N ATOM 0 H LYS A 6 -0.582 -5.307 6.092 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.449 -7.448 6.167 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.892 -5.247 8.217 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.024 -6.560 8.477 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.187 -8.232 7.918 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.059 -6.906 7.715 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.446 -6.181 10.116 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.624 -7.463 10.327 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.357 -7.913 9.723 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.623 -8.067 11.307 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.783 -10.136 10.268 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.851 -9.695 10.407 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.064 -9.577 8.907 1.00 20.55 H new ATOM 114 N THR A 7 -4.582 -6.620 5.518 1.00 7.41 N ATOM 115 CA THR A 7 -5.929 -6.248 5.078 1.00 7.48 C ATOM 116 C THR A 7 -6.978 -6.462 6.137 1.00 8.75 C ATOM 117 O THR A 7 -6.770 -7.022 7.184 1.00 8.58 O ATOM 118 CB THR A 7 -6.274 -6.884 3.684 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.596 -6.529 3.216 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.161 -8.382 3.735 1.00 9.17 C ATOM 0 H THR A 7 -4.422 -7.626 5.467 1.00 7.41 H new ATOM 0 HA THR A 7 -5.933 -5.169 4.922 1.00 7.48 H new ATOM 0 HB THR A 7 -5.547 -6.477 2.981 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.759 -6.949 2.346 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.405 -8.799 2.758 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.142 -8.661 4.005 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.854 -8.774 4.480 1.00 9.17 H new ATOM 128 N LEU A 8 -8.242 -5.963 6.013 1.00 9.84 N ATOM 129 CA LEU A 8 -9.175 -5.965 7.112 1.00 14.15 C ATOM 130 C LEU A 8 -9.938 -7.264 7.178 1.00 17.37 C ATOM 131 O LEU A 8 -10.715 -7.502 8.085 1.00 17.01 O ATOM 132 CB LEU A 8 -10.176 -4.835 6.890 1.00 16.63 C ATOM 133 CG LEU A 8 -9.549 -3.435 6.776 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.494 -2.419 6.169 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.909 -2.880 7.999 1.00 18.59 C ATOM 0 H LEU A 8 -8.611 -5.561 5.151 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.621 -5.836 8.042 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.740 -5.041 5.980 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.890 -4.833 7.714 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.720 -3.619 6.093 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.999 -1.450 6.113 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.778 -2.740 5.167 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.386 -2.335 6.790 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.508 -1.890 7.782 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.650 -2.805 8.795 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.100 -3.538 8.317 1.00 18.59 H new ATOM 147 N THR A 9 -9.706 -8.181 6.244 1.00 18.33 N ATOM 148 CA THR A 9 -10.457 -9.417 6.185 1.00 19.24 C ATOM 149 C THR A 9 -9.752 -10.480 6.995 1.00 19.48 C ATOM 150 O THR A 9 -10.395 -11.464 7.355 1.00 23.14 O ATOM 151 CB THR A 9 -10.500 -9.827 4.711 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.265 -9.605 4.062 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.502 -9.009 3.865 1.00 19.70 C ATOM 0 H THR A 9 -8.998 -8.084 5.516 1.00 18.33 H new ATOM 0 HA THR A 9 -11.461 -9.294 6.590 1.00 19.24 H new ATOM 0 HB THR A 9 -10.780 -10.879 4.759 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.334 -9.881 3.124 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.476 -9.357 2.832 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.507 -9.138 4.266 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.231 -7.954 3.899 1.00 19.70 H new ATOM 161 N GLY A 10 -8.485 -10.203 7.430 1.00 19.43 N ATOM 162 CA GLY A 10 -7.834 -11.032 8.479 1.00 18.74 C ATOM 163 C GLY A 10 -6.568 -11.702 7.940 1.00 17.62 C ATOM 164 O GLY A 10 -5.744 -12.197 8.654 1.00 19.74 O ATOM 0 H GLY A 10 -7.913 -9.434 7.079 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.583 -10.408 9.337 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.531 -11.793 8.831 1.00 18.74 H new ATOM 168 N LYS A 11 -6.410 -11.687 6.597 1.00 13.56 N ATOM 169 CA LYS A 11 -5.222 -12.173 5.888 1.00 11.91 C ATOM 170 C LYS A 11 -4.151 -11.052 5.783 1.00 10.18 C ATOM 171 O LYS A 11 -4.421 -9.859 6.000 1.00 9.10 O ATOM 172 CB LYS A 11 -5.502 -12.840 4.530 1.00 13.43 C ATOM 173 CG LYS A 11 -6.171 -11.838 3.543 1.00 16.69 C ATOM 174 CD LYS A 11 -6.643 -12.546 2.275 1.00 17.92 C ATOM 175 CE LYS A 11 -7.392 -11.591 1.326 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.690 -12.239 0.054 1.00 21.93 N ATOM 0 H LYS A 11 -7.127 -11.326 5.968 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.825 -12.984 6.499 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -4.569 -13.209 4.103 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.151 -13.704 4.672 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.018 -11.354 4.030 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.462 -11.052 3.282 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.784 -12.972 1.757 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.297 -13.376 2.545 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.319 -11.261 1.795 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.788 -10.700 1.151 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.338 -11.649 -0.727 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.226 -13.169 0.021 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.718 -12.361 -0.041 1.00 21.93 H new ATOM 190 N THR A 12 -2.909 -11.504 5.490 1.00 9.63 N ATOM 191 CA THR A 12 -1.768 -10.633 5.191 1.00 9.85 C ATOM 192 C THR A 12 -1.202 -11.039 3.876 1.00 11.66 C ATOM 193 O THR A 12 -0.795 -12.178 3.664 1.00 12.33 O ATOM 194 CB THR A 12 -0.629 -10.632 6.265 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.126 -10.326 7.489 1.00 10.91 O ATOM 196 CG2 THR A 12 0.531 -9.653 5.959 1.00 9.63 C ATOM 0 H THR A 12 -2.678 -12.497 5.456 1.00 9.63 H new ATOM 0 HA THR A 12 -2.156 -9.614 5.184 1.00 9.85 H new ATOM 0 HB THR A 12 -0.222 -11.643 6.243 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.956 -11.068 8.106 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.277 -9.714 6.751 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.990 -9.919 5.007 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.143 -8.636 5.903 1.00 9.63 H new ATOM 204 N ILE A 13 -1.287 -10.187 2.825 1.00 10.42 N ATOM 205 CA ILE A 13 -1.160 -10.625 1.470 1.00 11.84 C ATOM 206 C ILE A 13 0.198 -10.236 0.976 1.00 10.55 C ATOM 207 O ILE A 13 0.604 -9.130 1.297 1.00 11.92 O ATOM 208 CB ILE A 13 -2.358 -10.032 0.598 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.555 -8.552 0.757 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.642 -10.819 0.791 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.585 -7.840 -0.107 1.00 16.46 C ATOM 0 H ILE A 13 -1.446 -9.184 2.924 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.239 -11.709 1.388 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.056 -10.160 -0.442 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.817 -8.367 1.799 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.592 -8.073 0.580 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.432 -10.382 0.180 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.482 -11.855 0.492 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.935 -10.786 1.840 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.595 -6.778 0.139 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.328 -7.966 -1.159 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.572 -8.265 0.078 1.00 16.46 H new ATOM 223 N THR A 14 0.945 -11.125 0.276 1.00 9.39 N ATOM 224 CA THR A 14 2.312 -10.880 -0.082 1.00 9.63 C ATOM 225 C THR A 14 2.351 -10.359 -1.472 1.00 11.20 C ATOM 226 O THR A 14 1.809 -10.961 -2.409 1.00 11.63 O ATOM 227 CB THR A 14 3.291 -12.106 -0.058 1.00 10.38 C ATOM 228 OG1 THR A 14 3.062 -12.787 1.137 1.00 16.30 O ATOM 229 CG2 THR A 14 4.759 -11.647 -0.072 1.00 11.66 C ATOM 0 H THR A 14 0.590 -12.026 -0.044 1.00 9.39 H new ATOM 0 HA THR A 14 2.659 -10.191 0.687 1.00 9.63 H new ATOM 0 HB THR A 14 3.116 -12.729 -0.935 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.517 -12.323 1.870 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.413 -12.519 -0.055 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.950 -11.068 -0.975 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.955 -11.029 0.804 1.00 11.66 H new ATOM 237 N LEU A 15 2.981 -9.193 -1.731 1.00 8.29 N ATOM 238 CA LEU A 15 3.127 -8.571 -3.092 1.00 9.03 C ATOM 239 C LEU A 15 4.556 -8.505 -3.497 1.00 8.59 C ATOM 240 O LEU A 15 5.446 -8.264 -2.658 1.00 7.79 O ATOM 241 CB LEU A 15 2.483 -7.172 -3.119 1.00 11.08 C ATOM 242 CG LEU A 15 0.950 -7.131 -2.860 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.406 -5.690 -3.007 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.106 -8.010 -3.851 1.00 15.27 C ATOM 0 H LEU A 15 3.415 -8.636 -0.995 1.00 8.29 H new ATOM 0 HA LEU A 15 2.605 -9.202 -3.812 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.976 -6.551 -2.371 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.681 -6.720 -4.091 1.00 11.08 H new ATOM 0 HG LEU A 15 0.840 -7.522 -1.849 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.668 -5.686 -2.821 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.901 -5.039 -2.287 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.601 -5.329 -4.017 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.952 -7.926 -3.602 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.267 -7.664 -4.872 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.416 -9.052 -3.768 1.00 15.27 H new ATOM 256 N GLU A 16 4.838 -8.726 -4.766 1.00 11.04 N ATOM 257 CA GLU A 16 6.094 -8.569 -5.454 1.00 11.50 C ATOM 258 C GLU A 16 6.143 -7.108 -6.009 1.00 10.13 C ATOM 259 O GLU A 16 5.299 -6.684 -6.813 1.00 9.83 O ATOM 260 CB GLU A 16 6.295 -9.619 -6.534 1.00 17.22 C ATOM 261 CG GLU A 16 7.536 -9.422 -7.418 1.00 23.33 C ATOM 262 CD GLU A 16 8.896 -9.635 -6.693 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.257 -10.772 -6.283 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.685 -8.654 -6.497 1.00 28.90 O ATOM 0 H GLU A 16 4.112 -9.055 -5.403 1.00 11.04 H new ATOM 0 HA GLU A 16 6.924 -8.727 -4.765 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.359 -10.598 -6.059 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.412 -9.633 -7.173 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.478 -10.112 -8.260 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.514 -8.413 -7.830 1.00 23.33 H new ATOM 271 N VAL A 17 7.097 -6.271 -5.562 1.00 8.99 N ATOM 272 CA VAL A 17 7.189 -4.838 -5.925 1.00 8.85 C ATOM 273 C VAL A 17 8.685 -4.619 -5.992 1.00 8.04 C ATOM 274 O VAL A 17 9.438 -5.138 -5.225 1.00 8.99 O ATOM 275 CB VAL A 17 6.561 -3.885 -4.913 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.968 -4.107 -4.896 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.230 -4.018 -3.491 1.00 10.54 C ATOM 0 H VAL A 17 7.838 -6.572 -4.929 1.00 8.99 H new ATOM 0 HA VAL A 17 6.642 -4.627 -6.844 1.00 8.85 H new ATOM 0 HB VAL A 17 6.749 -2.855 -5.216 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.514 -3.428 -4.174 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.562 -3.907 -5.888 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.747 -5.137 -4.615 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.755 -3.323 -2.799 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.106 -5.037 -3.124 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.292 -3.786 -3.566 1.00 10.54 H new ATOM 287 N GLU A 18 9.121 -3.771 -6.913 1.00 7.29 N ATOM 288 CA GLU A 18 10.464 -3.238 -6.817 1.00 7.08 C ATOM 289 C GLU A 18 10.501 -1.979 -5.924 1.00 6.45 C ATOM 290 O GLU A 18 9.470 -1.291 -5.810 1.00 5.28 O ATOM 291 CB GLU A 18 11.032 -2.926 -8.239 1.00 10.28 C ATOM 292 CG GLU A 18 11.138 -4.192 -9.127 1.00 12.65 C ATOM 293 CD GLU A 18 12.142 -5.193 -8.683 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.305 -4.822 -8.429 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.815 -6.380 -8.576 1.00 14.33 O ATOM 0 H GLU A 18 8.578 -3.447 -7.713 1.00 7.29 H new ATOM 0 HA GLU A 18 11.096 -3.995 -6.352 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.391 -2.194 -8.730 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.018 -2.471 -8.141 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.161 -4.673 -9.164 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.381 -3.884 -10.144 1.00 12.65 H new ATOM 302 N PRO A 19 11.674 -1.543 -5.315 1.00 7.24 N ATOM 303 CA PRO A 19 11.656 -0.436 -4.386 1.00 7.07 C ATOM 304 C PRO A 19 11.659 0.970 -5.085 1.00 6.65 C ATOM 305 O PRO A 19 11.450 1.991 -4.462 1.00 6.37 O ATOM 306 CB PRO A 19 12.989 -0.645 -3.558 1.00 7.61 C ATOM 307 CG PRO A 19 13.891 -1.318 -4.582 1.00 8.16 C ATOM 308 CD PRO A 19 12.929 -2.264 -5.309 1.00 7.49 C ATOM 0 HA PRO A 19 10.746 -0.433 -3.786 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.404 0.300 -3.206 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.831 -1.270 -2.679 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.340 -0.595 -5.263 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.709 -1.859 -4.107 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.270 -2.481 -6.321 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.839 -3.219 -4.791 1.00 7.49 H new ATOM 316 N SER A 20 11.887 1.026 -6.411 1.00 6.80 N ATOM 317 CA SER A 20 11.959 2.248 -7.093 1.00 6.28 C ATOM 318 C SER A 20 10.676 2.536 -7.837 1.00 8.45 C ATOM 319 O SER A 20 10.541 3.405 -8.680 1.00 7.26 O ATOM 320 CB SER A 20 13.093 2.340 -8.129 1.00 8.57 C ATOM 321 OG SER A 20 14.344 2.207 -7.436 1.00 11.13 O ATOM 0 H SER A 20 12.021 0.205 -7.001 1.00 6.80 H new ATOM 0 HA SER A 20 12.150 2.973 -6.301 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.988 1.556 -8.878 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.050 3.293 -8.657 1.00 8.57 H new ATOM 0 HG SER A 20 15.082 2.261 -8.079 1.00 11.13 H new ATOM 327 N ASP A 21 9.584 1.821 -7.431 1.00 7.50 N ATOM 328 CA ASP A 21 8.278 1.927 -7.989 1.00 7.70 C ATOM 329 C ASP A 21 7.398 2.829 -7.083 1.00 7.08 C ATOM 330 O ASP A 21 7.729 3.097 -5.910 1.00 8.11 O ATOM 331 CB ASP A 21 7.515 0.568 -8.151 1.00 11.00 C ATOM 332 CG ASP A 21 6.411 0.606 -9.176 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.225 1.633 -9.903 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.670 -0.399 -9.169 1.00 14.36 O ATOM 0 H ASP A 21 9.634 1.139 -6.674 1.00 7.50 H new ATOM 0 HA ASP A 21 8.434 2.339 -8.986 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.229 -0.207 -8.429 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.093 0.282 -7.187 1.00 11.00 H new ATOM 339 N THR A 22 6.247 3.336 -7.595 1.00 5.37 N ATOM 340 CA THR A 22 5.484 4.273 -6.783 1.00 6.01 C ATOM 341 C THR A 22 4.404 3.640 -5.945 1.00 8.01 C ATOM 342 O THR A 22 3.896 2.572 -6.243 1.00 8.11 O ATOM 343 CB THR A 22 4.835 5.374 -7.622 1.00 8.92 C ATOM 344 OG1 THR A 22 4.140 4.862 -8.738 1.00 10.22 O ATOM 345 CG2 THR A 22 5.962 6.268 -8.164 1.00 9.65 C ATOM 0 H THR A 22 5.858 3.119 -8.512 1.00 5.37 H new ATOM 0 HA THR A 22 6.235 4.691 -6.113 1.00 6.01 H new ATOM 0 HB THR A 22 4.127 5.908 -6.989 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.741 5.601 -9.242 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.534 7.067 -8.769 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.516 6.701 -7.331 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.637 5.671 -8.777 1.00 9.65 H new ATOM 353 N ILE A 23 3.974 4.359 -4.851 1.00 8.32 N ATOM 354 CA ILE A 23 2.893 3.857 -3.981 1.00 9.92 C ATOM 355 C ILE A 23 1.541 3.767 -4.778 1.00 10.01 C ATOM 356 O ILE A 23 0.671 2.900 -4.579 1.00 8.71 O ATOM 357 CB ILE A 23 2.784 4.713 -2.714 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.101 4.504 -1.877 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.487 4.280 -2.006 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.402 3.048 -1.434 1.00 12.30 C ATOM 0 H ILE A 23 4.359 5.261 -4.572 1.00 8.32 H new ATOM 0 HA ILE A 23 3.132 2.844 -3.656 1.00 9.92 H new ATOM 0 HB ILE A 23 2.712 5.785 -2.896 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.944 4.865 -2.467 1.00 11.38 H new ATOM 0 HG13 ILE A 23 4.045 5.129 -0.986 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.360 4.861 -1.093 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.637 4.451 -2.667 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.545 3.220 -1.757 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.332 3.025 -0.866 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.586 2.681 -0.811 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.500 2.413 -2.314 1.00 12.30 H new ATOM 372 N GLU A 24 1.398 4.632 -5.793 1.00 9.54 N ATOM 373 CA GLU A 24 0.310 4.524 -6.806 1.00 11.81 C ATOM 374 C GLU A 24 0.149 3.163 -7.403 1.00 11.14 C ATOM 375 O GLU A 24 -0.951 2.611 -7.387 1.00 10.62 O ATOM 376 CB GLU A 24 0.541 5.566 -7.841 1.00 19.24 C ATOM 377 CG GLU A 24 -0.705 5.745 -8.706 1.00 27.76 C ATOM 378 CD GLU A 24 -0.576 6.955 -9.630 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.453 7.066 -10.357 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.497 7.794 -9.638 1.00 34.80 O ATOM 0 H GLU A 24 2.022 5.424 -5.944 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.640 4.691 -6.298 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.798 6.511 -7.363 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.388 5.284 -8.467 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.868 4.847 -9.302 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.579 5.866 -8.066 1.00 27.76 H new ATOM 387 N ASN A 25 1.241 2.508 -7.851 1.00 9.43 N ATOM 388 CA ASN A 25 1.291 1.155 -8.370 1.00 10.96 C ATOM 389 C ASN A 25 1.145 0.087 -7.324 1.00 9.68 C ATOM 390 O ASN A 25 0.789 -1.001 -7.675 1.00 9.33 O ATOM 391 CB ASN A 25 2.608 0.793 -9.151 1.00 16.78 C ATOM 392 CG ASN A 25 2.526 1.566 -10.490 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.499 1.513 -11.159 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.687 2.043 -10.948 1.00 24.70 N ATOM 0 H ASN A 25 2.160 2.951 -7.853 1.00 9.43 H new ATOM 0 HA ASN A 25 0.436 1.165 -9.046 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.492 1.084 -8.584 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.679 -0.281 -9.323 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.754 2.390 -11.905 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.506 2.060 -10.341 1.00 24.70 H new ATOM 401 N VAL A 26 1.418 0.363 -6.051 1.00 6.52 N ATOM 402 CA VAL A 26 1.201 -0.552 -4.951 1.00 5.53 C ATOM 403 C VAL A 26 -0.282 -0.734 -4.731 1.00 4.42 C ATOM 404 O VAL A 26 -0.851 -1.853 -4.549 1.00 3.40 O ATOM 405 CB VAL A 26 1.973 -0.116 -3.661 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.644 -1.094 -2.490 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.458 -0.087 -3.883 1.00 8.12 C ATOM 0 H VAL A 26 1.808 1.258 -5.756 1.00 6.52 H new ATOM 0 HA VAL A 26 1.618 -1.525 -5.209 1.00 5.53 H new ATOM 0 HB VAL A 26 1.648 0.893 -3.408 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.184 -0.785 -1.595 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.572 -1.076 -2.291 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.945 -2.105 -2.765 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.957 0.220 -2.964 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.803 -1.081 -4.168 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.693 0.621 -4.678 1.00 8.12 H new ATOM 417 N LYS A 27 -1.015 0.393 -4.716 1.00 2.64 N ATOM 418 CA LYS A 27 -2.481 0.443 -4.659 1.00 4.14 C ATOM 419 C LYS A 27 -3.118 -0.262 -5.833 1.00 5.58 C ATOM 420 O LYS A 27 -4.135 -0.930 -5.727 1.00 4.11 O ATOM 421 CB LYS A 27 -3.125 1.850 -4.556 1.00 3.97 C ATOM 422 CG LYS A 27 -2.815 2.611 -3.291 1.00 7.45 C ATOM 423 CD LYS A 27 -3.185 4.093 -3.315 1.00 9.02 C ATOM 424 CE LYS A 27 -2.789 4.845 -2.012 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.485 6.101 -1.915 1.00 15.47 N ATOM 0 H LYS A 27 -0.589 1.319 -4.744 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.684 -0.067 -3.718 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.796 2.445 -5.408 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.206 1.743 -4.640 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.340 2.136 -2.462 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.748 2.523 -3.085 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.696 4.569 -4.165 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.259 4.190 -3.471 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.022 4.227 -1.145 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.713 5.018 -2.000 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.312 6.522 -0.980 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.141 6.746 -2.655 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.505 5.943 -2.040 1.00 15.47 H new ATOM 439 N ALA A 28 -2.574 0.054 -7.055 1.00 6.61 N ATOM 440 CA ALA A 28 -3.034 -0.590 -8.282 1.00 7.74 C ATOM 441 C ALA A 28 -2.754 -2.083 -8.281 1.00 9.17 C ATOM 442 O ALA A 28 -3.638 -2.836 -8.690 1.00 11.45 O ATOM 443 CB ALA A 28 -2.425 -0.009 -9.557 1.00 7.68 C ATOM 0 H ALA A 28 -1.832 0.741 -7.190 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.107 -0.397 -8.290 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.818 -0.542 -10.423 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.681 1.048 -9.634 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.341 -0.118 -9.525 1.00 7.68 H new ATOM 449 N LYS A 29 -1.607 -2.546 -7.710 1.00 8.96 N ATOM 450 CA LYS A 29 -1.372 -3.949 -7.448 1.00 7.90 C ATOM 451 C LYS A 29 -2.350 -4.655 -6.480 1.00 6.92 C ATOM 452 O LYS A 29 -2.697 -5.808 -6.670 1.00 6.87 O ATOM 453 CB LYS A 29 0.056 -4.147 -6.838 1.00 10.28 C ATOM 454 CG LYS A 29 0.682 -5.534 -6.853 1.00 14.94 C ATOM 455 CD LYS A 29 0.937 -6.102 -8.264 1.00 19.69 C ATOM 456 CE LYS A 29 1.795 -7.394 -8.338 1.00 22.63 C ATOM 457 NZ LYS A 29 2.053 -7.766 -9.813 1.00 24.98 N ATOM 0 H LYS A 29 -0.837 -1.939 -7.428 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.510 -4.404 -8.429 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.734 -3.475 -7.364 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.019 -3.815 -5.801 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.628 -5.498 -6.312 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.031 -6.219 -6.311 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -0.027 -6.304 -8.732 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.426 -5.332 -8.860 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.742 -7.243 -7.821 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.282 -8.212 -7.831 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.628 -8.632 -9.857 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.145 -7.928 -10.294 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.560 -6.989 -10.283 1.00 24.98 H new ATOM 471 N ILE A 30 -2.827 -3.984 -5.445 1.00 4.57 N ATOM 472 CA ILE A 30 -3.880 -4.441 -4.521 1.00 5.58 C ATOM 473 C ILE A 30 -5.213 -4.598 -5.280 1.00 7.26 C ATOM 474 O ILE A 30 -5.932 -5.531 -5.003 1.00 9.46 O ATOM 475 CB ILE A 30 -3.971 -3.541 -3.311 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.655 -3.768 -2.492 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.257 -3.764 -2.553 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.443 -2.843 -1.261 1.00 2.00 C ATOM 0 H ILE A 30 -2.479 -3.056 -5.204 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.623 -5.426 -4.131 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.028 -2.486 -3.577 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.639 -4.803 -2.149 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.807 -3.642 -3.165 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.290 -3.101 -1.689 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.105 -3.553 -3.205 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.307 -4.800 -2.217 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.500 -3.094 -0.775 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.418 -1.803 -1.587 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.263 -2.982 -0.556 1.00 2.00 H new ATOM 490 N GLN A 31 -5.486 -3.677 -6.180 1.00 7.06 N ATOM 491 CA GLN A 31 -6.610 -3.821 -7.121 1.00 8.67 C ATOM 492 C GLN A 31 -6.597 -5.043 -8.008 1.00 10.90 C ATOM 493 O GLN A 31 -7.609 -5.686 -8.183 1.00 9.63 O ATOM 494 CB GLN A 31 -6.876 -2.567 -7.969 1.00 9.12 C ATOM 495 CG GLN A 31 -8.152 -2.575 -8.906 1.00 10.76 C ATOM 496 CD GLN A 31 -8.390 -1.381 -9.744 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.378 -0.629 -9.633 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.393 -1.083 -10.616 1.00 14.76 N ATOM 0 H GLN A 31 -4.953 -2.815 -6.291 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.439 -3.966 -6.428 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.960 -1.716 -7.293 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.001 -2.392 -8.594 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.080 -3.440 -9.565 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.030 -2.726 -8.278 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.588 -1.703 -10.701 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.449 -0.239 -11.186 1.00 14.76 H new ATOM 507 N ASP A 32 -5.367 -5.432 -8.528 1.00 10.93 N ATOM 508 CA ASP A 32 -5.122 -6.674 -9.296 1.00 14.01 C ATOM 509 C ASP A 32 -5.487 -7.911 -8.427 1.00 14.04 C ATOM 510 O ASP A 32 -6.146 -8.852 -8.850 1.00 13.39 O ATOM 511 CB ASP A 32 -3.680 -6.749 -9.830 1.00 18.01 C ATOM 512 CG ASP A 32 -3.683 -7.495 -11.134 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.923 -6.875 -12.250 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.508 -8.710 -11.189 1.00 26.29 O ATOM 0 H ASP A 32 -4.525 -4.868 -8.410 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.767 -6.668 -10.175 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.277 -5.746 -9.970 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.037 -7.253 -9.109 1.00 18.01 H new ATOM 519 N LYS A 33 -4.987 -7.927 -7.176 1.00 14.22 N ATOM 520 CA LYS A 33 -5.124 -9.112 -6.313 1.00 14.00 C ATOM 521 C LYS A 33 -6.524 -9.284 -5.673 1.00 12.37 C ATOM 522 O LYS A 33 -7.088 -10.392 -5.656 1.00 12.17 O ATOM 523 CB LYS A 33 -4.074 -8.983 -5.185 1.00 18.62 C ATOM 524 CG LYS A 33 -3.887 -10.288 -4.441 1.00 24.00 C ATOM 525 CD LYS A 33 -2.659 -10.389 -3.513 1.00 27.61 C ATOM 526 CE LYS A 33 -2.547 -11.764 -2.774 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.340 -12.869 -3.704 1.00 30.06 N ATOM 0 H LYS A 33 -4.492 -7.145 -6.747 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.975 -9.990 -6.942 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.121 -8.667 -5.609 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.385 -8.207 -4.486 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.780 -10.470 -3.843 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.826 -11.092 -5.175 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.755 -10.226 -4.100 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.706 -9.590 -2.773 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.721 -11.728 -2.064 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.455 -11.941 -2.197 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.204 -13.751 -3.170 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.171 -12.963 -4.322 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.497 -12.681 -4.284 1.00 30.06 H new ATOM 541 N GLU A 34 -7.072 -8.175 -5.141 1.00 10.11 N ATOM 542 CA GLU A 34 -8.231 -8.035 -4.263 1.00 10.07 C ATOM 543 C GLU A 34 -9.342 -7.236 -4.874 1.00 9.32 C ATOM 544 O GLU A 34 -10.406 -7.210 -4.293 1.00 11.61 O ATOM 545 CB GLU A 34 -7.794 -7.403 -2.890 1.00 14.77 C ATOM 546 CG GLU A 34 -7.045 -8.421 -2.050 1.00 18.75 C ATOM 547 CD GLU A 34 -7.946 -9.506 -1.597 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.905 -9.222 -0.802 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.712 -10.648 -2.030 1.00 21.95 O ATOM 0 H GLU A 34 -6.664 -7.262 -5.342 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.625 -9.038 -4.100 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.161 -6.534 -3.068 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.673 -7.052 -2.349 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.225 -8.844 -2.631 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.602 -7.928 -1.185 1.00 18.75 H new ATOM 556 N GLY A 35 -9.187 -6.561 -6.040 1.00 7.22 N ATOM 557 CA GLY A 35 -10.276 -5.892 -6.723 1.00 6.29 C ATOM 558 C GLY A 35 -10.702 -4.539 -6.117 1.00 6.93 C ATOM 559 O GLY A 35 -11.730 -4.024 -6.556 1.00 7.41 O ATOM 0 H GLY A 35 -8.291 -6.476 -6.520 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.987 -5.731 -7.762 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.140 -6.556 -6.731 1.00 6.29 H new ATOM 563 N ILE A 36 -9.916 -3.884 -5.245 1.00 5.86 N ATOM 564 CA ILE A 36 -10.271 -2.724 -4.466 1.00 6.07 C ATOM 565 C ILE A 36 -9.767 -1.460 -5.203 1.00 6.36 C ATOM 566 O ILE A 36 -8.584 -1.342 -5.412 1.00 6.18 O ATOM 567 CB ILE A 36 -9.600 -2.836 -3.086 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.036 -4.148 -2.397 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.098 -1.634 -2.242 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.377 -4.373 -1.055 1.00 9.49 C ATOM 0 H ILE A 36 -8.958 -4.184 -5.067 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.351 -2.659 -4.338 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.514 -2.834 -3.183 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.118 -4.137 -2.264 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.804 -4.988 -3.052 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.646 -1.673 -1.251 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.816 -0.703 -2.733 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.183 -1.680 -2.148 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.730 -5.312 -0.629 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.295 -4.416 -1.183 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.630 -3.553 -0.383 1.00 9.49 H new ATOM 582 N PRO A 37 -10.690 -0.611 -5.596 1.00 8.65 N ATOM 583 CA PRO A 37 -10.292 0.613 -6.272 1.00 9.18 C ATOM 584 C PRO A 37 -9.163 1.468 -5.571 1.00 9.85 C ATOM 585 O PRO A 37 -9.305 1.671 -4.353 1.00 8.51 O ATOM 586 CB PRO A 37 -11.560 1.400 -6.427 1.00 11.42 C ATOM 587 CG PRO A 37 -12.639 0.289 -6.328 1.00 9.27 C ATOM 588 CD PRO A 37 -12.118 -0.692 -5.279 1.00 8.33 C ATOM 0 HA PRO A 37 -9.817 0.350 -7.217 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.673 2.151 -5.645 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.601 1.925 -7.381 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.603 0.703 -6.034 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.784 -0.204 -7.289 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.343 -0.380 -4.259 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.522 -1.697 -5.402 1.00 8.33 H new ATOM 596 N PRO A 38 -8.146 1.942 -6.219 1.00 8.71 N ATOM 597 CA PRO A 38 -7.095 2.821 -5.702 1.00 9.08 C ATOM 598 C PRO A 38 -7.630 4.009 -4.957 1.00 9.28 C ATOM 599 O PRO A 38 -7.126 4.240 -3.854 1.00 6.50 O ATOM 600 CB PRO A 38 -6.226 3.155 -6.893 1.00 10.31 C ATOM 601 CG PRO A 38 -6.350 2.068 -7.894 1.00 10.81 C ATOM 602 CD PRO A 38 -7.704 1.512 -7.549 1.00 12.00 C ATOM 0 HA PRO A 38 -6.499 2.329 -4.933 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.532 4.106 -7.329 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.187 3.266 -6.583 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.307 2.443 -8.917 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.561 1.323 -7.794 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.430 1.834 -8.295 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.670 0.423 -7.586 1.00 12.00 H new ATOM 610 N ASP A 39 -8.623 4.765 -5.379 1.00 11.20 N ATOM 611 CA ASP A 39 -9.314 5.852 -4.699 1.00 14.96 C ATOM 612 C ASP A 39 -9.931 5.560 -3.337 1.00 13.99 C ATOM 613 O ASP A 39 -10.336 6.441 -2.601 1.00 13.75 O ATOM 614 CB ASP A 39 -10.263 6.606 -5.663 1.00 24.16 C ATOM 615 CG ASP A 39 -9.413 7.231 -6.742 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.942 6.588 -7.720 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.138 8.432 -6.489 1.00 34.22 O ATOM 0 H ASP A 39 -9.012 4.619 -6.311 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.506 6.523 -4.408 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.991 5.921 -6.098 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.825 7.371 -5.127 1.00 24.16 H new ATOM 622 N GLN A 40 -10.128 4.254 -2.997 1.00 11.60 N ATOM 623 CA GLN A 40 -10.597 3.940 -1.712 1.00 10.76 C ATOM 624 C GLN A 40 -9.500 3.537 -0.707 1.00 8.01 C ATOM 625 O GLN A 40 -9.691 3.377 0.500 1.00 8.96 O ATOM 626 CB GLN A 40 -11.559 2.705 -1.876 1.00 11.14 C ATOM 627 CG GLN A 40 -12.616 2.538 -0.717 1.00 14.85 C ATOM 628 CD GLN A 40 -13.090 1.048 -0.776 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.933 0.295 -1.734 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.748 0.592 0.305 1.00 18.16 N ATOM 0 H GLN A 40 -9.961 3.456 -3.610 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.071 4.836 -1.311 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.090 2.798 -2.823 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.958 1.798 -1.935 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.172 2.768 0.252 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.455 3.220 -0.853 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.889 1.201 1.111 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.106 -0.363 0.319 1.00 18.16 H new ATOM 639 N GLN A 41 -8.225 3.319 -1.221 1.00 6.52 N ATOM 640 CA GLN A 41 -7.140 2.771 -0.470 1.00 3.87 C ATOM 641 C GLN A 41 -6.413 3.783 0.433 1.00 4.79 C ATOM 642 O GLN A 41 -5.917 4.784 -0.039 1.00 6.34 O ATOM 643 CB GLN A 41 -6.131 2.048 -1.495 1.00 4.20 C ATOM 644 CG GLN A 41 -6.888 0.921 -2.071 1.00 3.20 C ATOM 645 CD GLN A 41 -5.954 -0.021 -2.747 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.820 -0.289 -2.291 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.399 -0.575 -3.872 1.00 7.13 N ATOM 0 H GLN A 41 -7.975 3.540 -2.185 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.555 2.048 0.233 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.802 2.737 -2.273 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.236 1.697 -0.981 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.438 0.402 -1.286 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.624 1.292 -2.784 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.327 -0.340 -4.224 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.812 -1.234 -4.383 1.00 7.13 H new ATOM 656 N ARG A 42 -6.286 3.488 1.710 1.00 5.73 N ATOM 657 CA ARG A 42 -5.404 4.224 2.620 1.00 6.97 C ATOM 658 C ARG A 42 -4.302 3.252 3.048 1.00 7.15 C ATOM 659 O ARG A 42 -4.534 2.329 3.777 1.00 7.33 O ATOM 660 CB ARG A 42 -6.158 4.725 3.868 1.00 13.23 C ATOM 661 CG ARG A 42 -7.374 5.564 3.585 1.00 21.27 C ATOM 662 CD ARG A 42 -7.931 6.025 4.903 1.00 26.14 C ATOM 663 NE ARG A 42 -9.024 6.971 4.702 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.795 8.237 4.254 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.584 8.720 3.971 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.797 9.112 4.274 1.00 36.39 N ATOM 0 H ARG A 42 -6.793 2.725 2.159 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.003 5.102 2.114 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.461 3.862 4.461 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.469 5.307 4.481 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.112 6.419 2.961 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.118 4.986 3.037 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.287 5.167 5.472 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.143 6.493 5.492 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.980 6.678 4.901 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.760 8.130 4.087 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.482 9.679 3.639 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.714 8.829 4.620 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.648 10.065 3.943 1.00 36.39 H new ATOM 680 N LEU A 43 -3.098 3.507 2.531 1.00 4.65 N ATOM 681 CA LEU A 43 -1.878 2.826 2.965 1.00 3.51 C ATOM 682 C LEU A 43 -1.170 3.511 4.108 1.00 5.56 C ATOM 683 O LEU A 43 -0.710 4.655 3.991 1.00 4.19 O ATOM 684 CB LEU A 43 -0.951 2.674 1.759 1.00 3.74 C ATOM 685 CG LEU A 43 -1.580 1.898 0.589 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.539 1.871 -0.561 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.948 0.419 0.986 1.00 6.41 C ATOM 0 H LEU A 43 -2.942 4.196 1.795 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.166 1.850 3.356 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.658 3.664 1.411 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.041 2.164 2.074 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.505 2.392 0.292 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.950 1.327 -1.411 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.303 2.892 -0.862 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.369 1.375 -0.218 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.389 -0.089 0.128 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.047 -0.109 1.297 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.664 0.430 1.808 1.00 6.41 H new ATOM 699 N ILE A 44 -1.059 2.904 5.308 1.00 4.58 N ATOM 700 CA ILE A 44 -0.376 3.472 6.444 1.00 5.55 C ATOM 701 C ILE A 44 0.870 2.721 6.682 1.00 5.46 C ATOM 702 O ILE A 44 0.885 1.470 6.644 1.00 6.04 O ATOM 703 CB ILE A 44 -1.325 3.482 7.674 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.324 4.651 7.666 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.652 3.703 9.080 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.512 4.596 6.771 1.00 13.90 C ATOM 0 H ILE A 44 -1.458 1.985 5.498 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.099 4.509 6.253 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.757 2.487 7.567 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.689 4.775 8.686 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.768 5.554 7.415 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.417 3.689 9.856 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.069 2.907 9.267 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.141 4.666 9.091 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.105 5.502 6.897 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.183 4.518 5.735 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -4.119 3.727 7.025 1.00 13.90 H new ATOM 718 N PHE A 45 2.032 3.366 6.892 1.00 6.75 N ATOM 719 CA PHE A 45 3.173 2.524 7.354 1.00 4.70 C ATOM 720 C PHE A 45 4.073 3.522 8.066 1.00 6.34 C ATOM 721 O PHE A 45 4.231 4.648 7.615 1.00 5.45 O ATOM 722 CB PHE A 45 3.997 1.866 6.227 1.00 5.51 C ATOM 723 CG PHE A 45 5.339 1.347 6.657 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.524 0.166 7.473 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.469 2.035 6.190 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.838 -0.347 7.756 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.736 1.511 6.517 1.00 6.64 C ATOM 728 CZ PHE A 45 7.875 0.335 7.215 1.00 6.84 C ATOM 0 H PHE A 45 2.210 4.363 6.768 1.00 6.75 H new ATOM 0 HA PHE A 45 2.796 1.694 7.951 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.421 1.042 5.807 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.142 2.593 5.428 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.659 -0.340 7.877 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.371 2.935 5.601 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.989 -1.226 8.365 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.622 2.048 6.211 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.869 -0.068 7.339 1.00 6.84 H new ATOM 738 N ALA A 46 4.756 3.084 9.160 1.00 6.53 N ATOM 739 CA ALA A 46 5.794 3.858 9.890 1.00 7.15 C ATOM 740 C ALA A 46 5.328 5.246 10.232 1.00 9.00 C ATOM 741 O ALA A 46 6.025 6.220 10.077 1.00 11.15 O ATOM 742 CB ALA A 46 7.162 3.859 9.301 1.00 8.99 C ATOM 0 H ALA A 46 4.595 2.162 9.566 1.00 6.53 H new ATOM 0 HA ALA A 46 5.920 3.293 10.814 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.826 4.457 9.925 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.536 2.837 9.249 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.126 4.284 8.298 1.00 8.99 H new ATOM 748 N GLY A 47 4.140 5.327 10.869 1.00 9.35 N ATOM 749 CA GLY A 47 3.634 6.583 11.495 1.00 11.68 C ATOM 750 C GLY A 47 2.871 7.508 10.619 1.00 11.14 C ATOM 751 O GLY A 47 2.362 8.562 11.056 1.00 13.93 O ATOM 0 H GLY A 47 3.504 4.535 10.967 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.998 6.310 12.337 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.486 7.127 11.902 1.00 11.68 H new ATOM 755 N LYS A 48 2.723 7.159 9.342 1.00 10.47 N ATOM 756 CA LYS A 48 2.401 8.150 8.279 1.00 8.82 C ATOM 757 C LYS A 48 1.549 7.436 7.264 1.00 7.68 C ATOM 758 O LYS A 48 1.665 6.227 6.973 1.00 6.47 O ATOM 759 CB LYS A 48 3.581 8.669 7.455 1.00 9.74 C ATOM 760 CG LYS A 48 4.738 9.357 8.358 1.00 14.14 C ATOM 761 CD LYS A 48 5.764 10.175 7.619 1.00 16.32 C ATOM 762 CE LYS A 48 6.611 9.441 6.584 1.00 20.04 C ATOM 763 NZ LYS A 48 7.643 10.344 6.167 1.00 23.92 N ATOM 0 H LYS A 48 2.818 6.201 9.004 1.00 10.47 H new ATOM 0 HA LYS A 48 1.956 8.995 8.805 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.013 7.842 6.891 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.217 9.395 6.728 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.259 9.998 9.098 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.257 8.571 8.906 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.249 10.994 7.118 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.435 10.622 8.352 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.041 8.535 7.011 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.001 9.134 5.734 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.245 9.879 5.458 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.213 11.195 5.752 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.221 10.614 6.988 1.00 23.92 H new ATOM 777 N GLN A 49 0.661 8.144 6.522 1.00 8.89 N ATOM 778 CA GLN A 49 -0.151 7.587 5.426 1.00 7.18 C ATOM 779 C GLN A 49 0.621 7.845 4.111 1.00 8.23 C ATOM 780 O GLN A 49 1.018 8.957 3.766 1.00 9.70 O ATOM 781 CB GLN A 49 -1.576 8.223 5.378 1.00 11.67 C ATOM 782 CG GLN A 49 -2.551 7.519 4.418 1.00 15.82 C ATOM 783 CD GLN A 49 -3.842 8.343 4.159 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.951 7.969 4.571 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.699 9.473 3.423 1.00 20.67 N ATOM 0 H GLN A 49 0.491 9.138 6.677 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.305 6.519 5.580 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.001 8.211 6.382 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.485 9.268 5.083 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.048 7.333 3.469 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.822 6.548 4.831 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.775 9.756 3.098 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.516 10.040 3.195 1.00 20.67 H new ATOM 794 N LEU A 50 0.812 6.777 3.362 1.00 6.51 N ATOM 795 CA LEU A 50 1.633 6.757 2.126 1.00 7.41 C ATOM 796 C LEU A 50 0.901 7.499 0.950 1.00 8.27 C ATOM 797 O LEU A 50 -0.239 7.195 0.724 1.00 8.34 O ATOM 798 CB LEU A 50 2.029 5.324 1.658 1.00 7.13 C ATOM 799 CG LEU A 50 2.478 4.435 2.797 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.838 3.083 2.169 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.765 4.976 3.478 1.00 9.11 C ATOM 0 H LEU A 50 0.400 5.871 3.584 1.00 6.51 H new ATOM 0 HA LEU A 50 2.554 7.279 2.386 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.178 4.863 1.158 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.830 5.396 0.923 1.00 7.13 H new ATOM 0 HG LEU A 50 1.687 4.379 3.544 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.171 2.397 2.948 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.962 2.668 1.671 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.638 3.221 1.441 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.054 4.309 4.290 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.571 5.026 2.745 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.574 5.972 3.877 1.00 9.11 H new ATOM 813 N GLU A 51 1.495 8.471 0.243 1.00 9.43 N ATOM 814 CA GLU A 51 0.859 9.130 -0.928 1.00 11.90 C ATOM 815 C GLU A 51 1.474 8.627 -2.248 1.00 11.49 C ATOM 816 O GLU A 51 2.686 8.543 -2.455 1.00 9.88 O ATOM 817 CB GLU A 51 0.922 10.685 -0.866 1.00 16.56 C ATOM 818 CG GLU A 51 2.356 11.246 -0.995 1.00 26.06 C ATOM 819 CD GLU A 51 2.332 12.735 -1.140 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.746 13.206 -2.115 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.961 13.416 -0.256 1.00 33.44 O ATOM 0 H GLU A 51 2.426 8.828 0.458 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.194 8.852 -0.892 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.305 11.098 -1.664 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.491 11.022 0.077 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.940 10.971 -0.116 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.850 10.800 -1.858 1.00 26.06 H new ATOM 828 N ASP A 52 0.574 8.313 -3.278 1.00 12.71 N ATOM 829 CA ASP A 52 0.647 7.784 -4.605 1.00 16.56 C ATOM 830 C ASP A 52 1.928 8.130 -5.360 1.00 15.83 C ATOM 831 O ASP A 52 2.616 7.174 -5.725 1.00 17.21 O ATOM 832 CB ASP A 52 -0.654 8.375 -5.298 1.00 21.05 C ATOM 833 CG ASP A 52 -1.961 7.793 -4.758 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.110 7.721 -3.518 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.799 7.372 -5.562 1.00 28.37 O ATOM 0 H ASP A 52 -0.411 8.490 -3.080 1.00 12.71 H new ATOM 0 HA ASP A 52 0.682 6.695 -4.601 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.666 9.457 -5.164 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.600 8.188 -6.370 1.00 21.05 H new ATOM 840 N GLY A 53 2.276 9.454 -5.497 1.00 15.00 N ATOM 841 CA GLY A 53 3.248 9.860 -6.490 1.00 11.77 C ATOM 842 C GLY A 53 4.678 9.683 -5.985 1.00 11.10 C ATOM 843 O GLY A 53 5.665 10.003 -6.602 1.00 11.25 O ATOM 0 H GLY A 53 1.893 10.214 -4.935 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.107 9.274 -7.398 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.082 10.904 -6.756 1.00 11.77 H new ATOM 847 N ARG A 54 4.845 9.260 -4.671 1.00 8.53 N ATOM 848 CA ARG A 54 6.116 8.941 -4.114 1.00 9.05 C ATOM 849 C ARG A 54 6.352 7.480 -4.120 1.00 8.96 C ATOM 850 O ARG A 54 5.483 6.649 -4.165 1.00 11.60 O ATOM 851 CB ARG A 54 6.086 9.442 -2.670 1.00 7.97 C ATOM 852 CG ARG A 54 5.877 10.992 -2.604 1.00 9.62 C ATOM 853 CD ARG A 54 6.071 11.540 -1.239 1.00 12.20 C ATOM 854 NE ARG A 54 5.500 12.878 -1.283 1.00 18.23 N ATOM 855 CZ ARG A 54 6.117 14.065 -1.587 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.334 14.142 -2.093 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.418 15.170 -1.337 1.00 23.38 N ATOM 0 H ARG A 54 4.070 9.149 -4.017 1.00 8.53 H new ATOM 0 HA ARG A 54 6.914 9.402 -4.696 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.284 8.942 -2.127 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.020 9.178 -2.173 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.573 11.477 -3.288 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.871 11.234 -2.948 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.572 10.923 -0.492 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.128 11.571 -0.973 1.00 12.20 H new ATOM 0 HE ARG A 54 4.507 12.942 -1.057 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.865 13.291 -2.277 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.744 15.053 -2.300 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.480 15.102 -0.942 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.820 16.085 -1.541 1.00 23.38 H new ATOM 871 N THR A 55 7.692 7.118 -4.121 1.00 9.05 N ATOM 872 CA THR A 55 8.246 5.761 -4.256 1.00 9.03 C ATOM 873 C THR A 55 8.410 5.028 -2.913 1.00 8.15 C ATOM 874 O THR A 55 8.303 5.717 -1.870 1.00 5.91 O ATOM 875 CB THR A 55 9.594 5.689 -5.005 1.00 11.15 C ATOM 876 OG1 THR A 55 10.691 6.425 -4.470 1.00 11.95 O ATOM 877 CG2 THR A 55 9.460 6.152 -6.428 1.00 11.71 C ATOM 0 H THR A 55 8.427 7.818 -4.021 1.00 9.05 H new ATOM 0 HA THR A 55 7.488 5.260 -4.858 1.00 9.03 H new ATOM 0 HB THR A 55 9.828 4.630 -4.900 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.480 6.293 -5.035 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.428 6.088 -6.924 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.742 5.520 -6.950 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.112 7.185 -6.443 1.00 11.71 H new ATOM 885 N LEU A 56 8.554 3.766 -2.922 1.00 6.91 N ATOM 886 CA LEU A 56 8.669 2.870 -1.789 1.00 8.29 C ATOM 887 C LEU A 56 9.909 3.038 -0.969 1.00 8.05 C ATOM 888 O LEU A 56 9.857 3.172 0.248 1.00 10.17 O ATOM 889 CB LEU A 56 8.529 1.381 -2.367 1.00 6.60 C ATOM 890 CG LEU A 56 7.160 0.901 -2.723 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.163 -0.062 -3.954 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.574 0.088 -1.557 1.00 8.64 C ATOM 0 H LEU A 56 8.602 3.256 -3.804 1.00 6.91 H new ATOM 0 HA LEU A 56 7.877 3.107 -1.078 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.153 1.307 -3.258 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.944 0.694 -1.629 1.00 6.60 H new ATOM 0 HG LEU A 56 6.577 1.794 -2.950 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.143 -0.381 -4.169 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.572 0.457 -4.821 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.776 -0.935 -3.731 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.575 -0.260 -1.822 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.215 -0.770 -1.353 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.516 0.716 -0.668 1.00 8.64 H new ATOM 904 N SER A 57 11.104 3.037 -1.612 1.00 8.92 N ATOM 905 CA SER A 57 12.340 3.326 -0.909 1.00 9.00 C ATOM 906 C SER A 57 12.486 4.654 -0.245 1.00 9.44 C ATOM 907 O SER A 57 13.080 4.866 0.783 1.00 10.91 O ATOM 908 CB SER A 57 13.616 3.114 -1.816 1.00 10.32 C ATOM 909 OG SER A 57 13.547 3.826 -3.071 1.00 13.59 O ATOM 0 H SER A 57 11.218 2.839 -2.606 1.00 8.92 H new ATOM 0 HA SER A 57 12.269 2.595 -0.104 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.501 3.440 -1.269 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.739 2.050 -2.016 1.00 10.32 H new ATOM 0 HG SER A 57 12.911 3.378 -3.667 1.00 13.59 H new ATOM 915 N ASP A 58 11.888 5.719 -0.857 1.00 9.11 N ATOM 916 CA ASP A 58 11.698 7.014 -0.244 1.00 7.91 C ATOM 917 C ASP A 58 10.802 6.989 1.058 1.00 9.12 C ATOM 918 O ASP A 58 10.933 7.733 1.993 1.00 8.61 O ATOM 919 CB ASP A 58 11.279 8.001 -1.392 1.00 8.41 C ATOM 920 CG ASP A 58 10.973 9.406 -0.923 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.826 10.110 -0.364 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.769 9.786 -1.134 1.00 11.70 O ATOM 0 H ASP A 58 11.527 5.671 -1.810 1.00 9.11 H new ATOM 0 HA ASP A 58 12.624 7.388 0.193 1.00 7.91 H new ATOM 0 HB2 ASP A 58 12.080 8.043 -2.130 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.401 7.600 -1.898 1.00 8.41 H new ATOM 927 N TYR A 59 9.896 6.042 1.123 1.00 7.97 N ATOM 928 CA TYR A 59 9.025 5.853 2.245 1.00 8.45 C ATOM 929 C TYR A 59 9.566 4.814 3.226 1.00 10.98 C ATOM 930 O TYR A 59 8.873 4.341 4.130 1.00 12.95 O ATOM 931 CB TYR A 59 7.629 5.355 1.790 1.00 7.94 C ATOM 932 CG TYR A 59 6.690 6.575 1.712 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.380 7.329 2.925 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.978 6.869 0.500 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.434 8.338 2.872 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.023 7.905 0.528 1.00 6.52 C ATOM 937 CZ TYR A 59 4.766 8.594 1.698 1.00 6.76 C ATOM 938 OH TYR A 59 3.769 9.469 1.704 1.00 7.63 O ATOM 0 H TYR A 59 9.745 5.367 0.374 1.00 7.97 H new ATOM 0 HA TYR A 59 8.956 6.826 2.731 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.697 4.864 0.819 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.239 4.619 2.493 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.884 7.101 3.853 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.169 6.313 -0.406 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.221 8.925 3.753 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.487 8.163 -0.373 1.00 6.52 H new ATOM 0 HH TYR A 59 4.132 10.379 1.676 1.00 7.63 H new ATOM 948 N ASN A 60 10.887 4.414 2.995 1.00 12.38 N ATOM 949 CA ASN A 60 11.693 3.649 3.984 1.00 13.94 C ATOM 950 C ASN A 60 11.228 2.210 4.037 1.00 14.16 C ATOM 951 O ASN A 60 11.033 1.667 5.120 1.00 14.26 O ATOM 952 CB ASN A 60 11.778 4.310 5.408 1.00 19.23 C ATOM 953 CG ASN A 60 12.156 5.787 5.261 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.259 6.128 4.835 1.00 25.45 O ATOM 955 ND2 ASN A 60 11.277 6.640 5.650 1.00 24.09 N ATOM 0 H ASN A 60 11.388 4.620 2.131 1.00 12.38 H new ATOM 0 HA ASN A 60 12.723 3.670 3.627 1.00 13.94 H new ATOM 0 HB2 ASN A 60 10.821 4.217 5.922 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.519 3.793 6.018 1.00 19.23 H new ATOM 0 HD21 ASN A 60 11.483 7.638 5.612 1.00 24.09 H new ATOM 0 HD22 ASN A 60 10.373 6.319 5.997 1.00 24.09 H new ATOM 962 N ILE A 61 10.909 1.644 2.874 1.00 11.08 N ATOM 963 CA ILE A 61 10.298 0.325 2.741 1.00 11.78 C ATOM 964 C ILE A 61 11.300 -0.609 2.097 1.00 13.74 C ATOM 965 O ILE A 61 11.615 -0.426 0.912 1.00 14.60 O ATOM 966 CB ILE A 61 8.961 0.458 1.870 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.932 1.360 2.656 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.452 -1.036 1.764 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.680 1.773 1.782 1.00 11.42 C ATOM 0 H ILE A 61 11.073 2.102 1.977 1.00 11.08 H new ATOM 0 HA ILE A 61 10.026 -0.084 3.714 1.00 11.78 H new ATOM 0 HB ILE A 61 9.100 0.916 0.891 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.590 0.824 3.541 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.438 2.260 3.004 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.531 -1.066 1.182 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.211 -1.645 1.274 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.262 -1.428 2.763 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.009 2.392 2.377 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.014 2.335 0.910 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.153 0.877 1.455 1.00 11.42 H new ATOM 981 N GLN A 62 11.788 -1.577 2.835 1.00 13.97 N ATOM 982 CA GLN A 62 12.833 -2.497 2.287 1.00 15.52 C ATOM 983 C GLN A 62 12.238 -3.883 2.405 1.00 13.94 C ATOM 984 O GLN A 62 11.141 -4.016 2.893 1.00 12.15 O ATOM 985 CB GLN A 62 14.093 -2.263 3.172 1.00 19.53 C ATOM 986 CG GLN A 62 13.857 -2.896 4.566 1.00 26.38 C ATOM 987 CD GLN A 62 15.019 -2.610 5.463 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.979 -2.758 6.692 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.193 -2.141 4.957 1.00 32.71 N ATOM 0 H GLN A 62 11.506 -1.770 3.796 1.00 13.97 H new ATOM 0 HA GLN A 62 13.123 -2.342 1.248 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.971 -2.706 2.701 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.290 -1.196 3.272 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.942 -2.498 5.005 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.720 -3.973 4.467 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.294 -1.996 3.952 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.972 -1.935 5.583 1.00 32.71 H new ATOM 998 N LYS A 63 12.890 -4.900 1.780 1.00 11.73 N ATOM 999 CA LYS A 63 12.318 -6.287 1.795 1.00 11.97 C ATOM 1000 C LYS A 63 11.663 -6.769 3.051 1.00 10.41 C ATOM 1001 O LYS A 63 12.067 -6.498 4.183 1.00 9.59 O ATOM 1002 CB LYS A 63 13.352 -7.258 1.297 1.00 13.73 C ATOM 1003 CG LYS A 63 14.382 -7.621 2.356 1.00 16.98 C ATOM 1004 CD LYS A 63 15.664 -8.337 1.972 1.00 20.19 C ATOM 1005 CE LYS A 63 15.348 -9.791 1.500 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.529 -10.664 1.448 1.00 25.97 N ATOM 0 H LYS A 63 13.773 -4.802 1.279 1.00 11.73 H new ATOM 0 HA LYS A 63 11.464 -6.228 1.121 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.855 -8.166 0.954 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.861 -6.828 0.434 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.668 -6.696 2.857 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.877 -8.241 3.096 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.170 -7.790 1.176 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.344 -8.363 2.824 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.612 -10.230 2.173 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.892 -9.752 0.511 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.246 -11.612 1.127 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.225 -10.267 0.785 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.953 -10.731 2.395 1.00 25.97 H new ATOM 1020 N GLU A 64 10.573 -7.504 2.991 1.00 10.04 N ATOM 1021 CA GLU A 64 9.839 -8.200 4.064 1.00 10.94 C ATOM 1022 C GLU A 64 9.124 -7.241 4.976 1.00 9.74 C ATOM 1023 O GLU A 64 8.590 -7.703 5.973 1.00 9.42 O ATOM 1024 CB GLU A 64 10.656 -9.201 4.819 1.00 18.31 C ATOM 1025 CG GLU A 64 10.947 -10.405 3.880 1.00 24.16 C ATOM 1026 CD GLU A 64 11.923 -11.345 4.460 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.577 -12.066 5.449 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.069 -11.447 3.961 1.00 32.61 O ATOM 0 H GLU A 64 10.116 -7.655 2.092 1.00 10.04 H new ATOM 0 HA GLU A 64 9.079 -8.789 3.551 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.589 -8.751 5.158 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.121 -9.534 5.708 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.017 -10.933 3.672 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.324 -10.036 2.926 1.00 24.16 H new ATOM 1035 N SER A 65 9.045 -5.984 4.663 1.00 6.85 N ATOM 1036 CA SER A 65 8.216 -5.045 5.364 1.00 6.90 C ATOM 1037 C SER A 65 6.716 -5.340 5.453 1.00 4.72 C ATOM 1038 O SER A 65 6.076 -5.588 4.455 1.00 3.91 O ATOM 1039 CB SER A 65 8.491 -3.628 4.811 1.00 7.28 C ATOM 1040 OG SER A 65 9.801 -3.194 5.043 1.00 10.56 O ATOM 0 H SER A 65 9.569 -5.569 3.892 1.00 6.85 H new ATOM 0 HA SER A 65 8.513 -5.138 6.409 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.296 -3.619 3.739 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.795 -2.925 5.268 1.00 7.28 H new ATOM 0 HG SER A 65 10.411 -3.653 4.429 1.00 10.56 H new ATOM 1046 N THR A 66 6.167 -5.095 6.661 1.00 4.48 N ATOM 1047 CA THR A 66 4.716 -5.236 6.912 1.00 3.80 C ATOM 1048 C THR A 66 4.165 -3.848 6.666 1.00 4.60 C ATOM 1049 O THR A 66 4.743 -2.878 7.147 1.00 5.33 O ATOM 1050 CB THR A 66 4.464 -5.790 8.306 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.801 -7.187 8.323 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.957 -5.555 8.703 1.00 3.40 C ATOM 0 H THR A 66 6.704 -4.799 7.476 1.00 4.48 H new ATOM 0 HA THR A 66 4.215 -5.955 6.264 1.00 3.80 H new ATOM 0 HB THR A 66 5.087 -5.276 9.038 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.643 -7.551 9.219 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.778 -5.952 9.702 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.740 -4.487 8.693 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.309 -6.063 7.989 1.00 3.40 H new ATOM 1060 N LEU A 67 3.100 -3.699 5.917 1.00 4.17 N ATOM 1061 CA LEU A 67 2.436 -2.473 5.495 1.00 3.85 C ATOM 1062 C LEU A 67 0.918 -2.712 5.820 1.00 3.80 C ATOM 1063 O LEU A 67 0.500 -3.765 6.296 1.00 5.54 O ATOM 1064 CB LEU A 67 2.581 -2.181 3.979 1.00 7.18 C ATOM 1065 CG LEU A 67 3.993 -2.084 3.368 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.864 -1.856 1.839 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.878 -0.964 3.887 1.00 11.66 C ATOM 0 H LEU A 67 2.620 -4.518 5.544 1.00 4.17 H new ATOM 0 HA LEU A 67 2.879 -1.618 6.006 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.043 -2.961 3.441 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.069 -1.241 3.775 1.00 7.18 H new ATOM 0 HG LEU A 67 4.469 -3.023 3.651 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.858 -1.786 1.396 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.325 -2.691 1.391 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.318 -0.931 1.654 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.844 -1.000 3.382 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.402 -0.003 3.691 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.025 -1.084 4.960 1.00 11.66 H new ATOM 1079 N HIS A 68 0.084 -1.720 5.624 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.280 -1.875 6.065 1.00 4.17 C ATOM 1081 C HIS A 68 -2.144 -1.285 5.057 1.00 5.32 C ATOM 1082 O HIS A 68 -1.834 -0.211 4.476 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.416 -1.076 7.378 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.447 -1.598 8.369 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.747 -0.931 8.691 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.557 -2.684 9.189 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.259 -1.624 9.733 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.479 -2.725 10.079 1.00 16.30 N ATOM 0 H HIS A 68 0.312 -0.830 5.180 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.547 -2.921 6.216 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.232 -0.018 7.194 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.431 -1.160 7.765 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.141 -0.106 8.238 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.354 -3.411 9.141 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.173 -1.354 10.241 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.269 -2.000 4.797 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.308 -1.518 3.984 1.00 3.97 C ATOM 1098 C LEU A 69 -5.457 -1.121 4.891 1.00 5.07 C ATOM 1099 O LEU A 69 -5.949 -1.904 5.734 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.751 -2.564 2.961 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.932 -2.125 2.051 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.469 -1.128 0.944 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.536 -3.339 1.350 1.00 9.96 C ATOM 0 H LEU A 69 -3.439 -2.933 5.172 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.962 -0.657 3.413 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.899 -2.818 2.330 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.037 -3.472 3.491 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.664 -1.639 2.697 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.323 -0.845 0.329 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.046 -0.238 1.410 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.713 -1.604 0.319 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.362 -3.019 0.715 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.774 -3.822 0.738 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.903 -4.044 2.096 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.840 0.144 4.777 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.978 0.726 5.489 1.00 6.26 C ATOM 1117 C VAL A 70 -7.871 1.302 4.448 1.00 9.22 C ATOM 1118 O VAL A 70 -7.499 1.753 3.375 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.626 1.752 6.569 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.883 2.373 7.164 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.823 1.178 7.740 1.00 8.54 C ATOM 0 H VAL A 70 -5.359 0.812 4.174 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.465 -0.062 6.063 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.013 2.488 6.050 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.604 3.098 7.928 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.448 2.874 6.378 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.498 1.592 7.612 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.615 1.969 8.461 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.399 0.389 8.224 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.883 0.767 7.370 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.228 1.112 4.603 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.166 1.375 3.511 1.00 16.06 C ATOM 1133 C LEU A 71 -11.114 2.530 3.810 1.00 18.09 C ATOM 1134 O LEU A 71 -11.692 2.582 4.856 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.880 0.144 2.995 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.975 -0.760 2.285 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.661 -2.083 1.945 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.492 -0.211 0.963 1.00 19.57 C ATOM 0 H LEU A 71 -9.664 0.784 5.465 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.540 1.700 2.680 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.339 -0.385 3.830 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.687 0.447 2.327 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.138 -0.890 2.971 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.961 -2.731 1.418 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.986 -2.571 2.864 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.526 -1.892 1.310 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.825 -0.933 0.491 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.346 -0.026 0.312 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.955 0.723 1.131 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.292 3.479 2.918 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.304 4.459 3.000 1.00 25.83 C ATOM 1152 C ARG A 72 -13.703 3.831 2.816 1.00 27.74 C ATOM 1153 O ARG A 72 -13.853 2.825 2.153 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.999 5.587 1.930 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.833 6.884 2.039 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.229 7.995 1.199 1.00 34.05 C ATOM 1157 NE ARG A 72 -13.175 9.107 1.146 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.870 10.374 0.954 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.580 10.799 0.696 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.817 11.244 1.063 1.00 35.02 N ATOM 0 H ARG A 72 -10.703 3.576 2.091 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.308 4.912 3.992 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.944 5.852 2.005 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.152 5.165 0.937 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.855 6.691 1.712 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.886 7.200 3.081 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.283 8.323 1.630 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.013 7.634 0.193 1.00 34.05 H new ATOM 0 HE ARG A 72 -14.162 8.882 1.269 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.820 10.121 0.648 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.389 11.791 0.553 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -14.764 10.941 1.291 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.618 12.234 0.921 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.809 4.387 3.437 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.157 3.955 3.099 1.00 30.76 C ATOM 1176 C LEU A 73 -16.530 4.421 1.723 1.00 32.18 C ATOM 1177 O LEU A 73 -16.342 5.578 1.374 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.171 4.552 4.132 1.00 30.53 C ATOM 1179 CG LEU A 73 -18.647 4.132 4.047 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.880 2.735 4.603 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -19.498 5.086 4.875 1.00 29.11 C ATOM 0 H LEU A 73 -14.761 5.114 4.151 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.190 2.866 3.127 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.813 4.299 5.130 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.131 5.638 4.044 1.00 30.53 H new ATOM 0 HG LEU A 73 -18.919 4.152 2.992 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -19.937 2.483 4.521 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -18.290 2.015 4.036 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.580 2.706 5.650 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -20.544 4.787 4.814 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -19.172 5.055 5.915 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -19.387 6.100 4.490 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.203 3.577 0.930 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.601 4.029 -0.412 1.00 35.33 C ATOM 1195 C ARG A 74 -18.677 5.074 -0.518 1.00 36.22 C ATOM 1196 O ARG A 74 -18.870 5.696 -1.567 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.047 2.827 -1.259 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.830 1.879 -1.539 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.052 0.560 -2.433 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.746 -0.189 -2.409 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.565 -1.391 -2.917 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.506 -2.159 -3.472 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.362 -1.906 -2.813 1.00 41.93 N ATOM 0 H ARG A 74 -17.473 2.624 1.175 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.694 4.516 -0.771 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.832 2.278 -0.739 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.471 3.174 -2.201 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.054 2.475 -2.020 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.435 1.559 -0.575 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.859 -0.052 -2.030 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.331 0.824 -3.453 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.946 0.266 -1.969 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.468 -1.825 -3.530 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.263 -3.079 -3.838 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.619 -1.378 -2.355 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.170 -2.834 -3.190 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.390 5.181 0.560 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.374 6.294 0.669 1.00 36.07 C ATOM 1219 C GLY A 75 -19.801 7.633 1.070 1.00 36.16 C ATOM 1220 O GLY A 75 -20.535 8.568 1.082 1.00 36.26 O ATOM 0 H GLY A 75 -19.339 4.556 1.365 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.876 6.407 -0.292 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.136 6.012 1.396 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.545 7.697 1.499 1.00 36.05 N ATOM 1225 CA GLY A 76 -18.039 8.997 2.057 1.00 36.19 C ATOM 1226 C GLY A 76 -16.601 9.248 1.538 1.00 36.20 C ATOM 1227 O GLY A 76 -15.671 9.478 2.371 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.456 9.205 0.293 1.00 0.00 O ATOM 0 H GLY A 76 -17.875 6.928 1.485 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -18.695 9.815 1.758 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -18.045 8.966 3.147 1.00 36.19 H new TER 1232 GLY A 76