USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 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 180:sc= -0.747 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 122:sc= 0.0626 USER MOD Set 2.2: A 25 ASN : amide:sc= 0 X(o=0.063,f=0.49) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.115 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0539 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 170:sc= 0.991 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00205) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.33 (180deg=2.32) USER MOD Single : A 2 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.53) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 1 (180deg=-0.415!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0742 USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 1.53 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.815 K(o=-0.82,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= 1.16 (180deg=0.786) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.202 K(o=0.2,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc=-0.00173 (180deg=-0.275) USER MOD Single : A 49 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.019) USER MOD Single : A 59 TYR OH : rot 50:sc= 0.402 USER MOD Single : A 60 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= 1.1 (180deg=-0.617) USER MOD Single : A 65 SER OG : rot 85:sc= 0.00486 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0989 K(o=-0.099,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.217 -7.115 -5.173 1.00 9.67 N ATOM 2 CA MET A 1 11.211 -7.433 -3.700 1.00 10.38 C ATOM 3 C MET A 1 9.916 -7.766 -3.025 1.00 9.62 C ATOM 4 O MET A 1 8.893 -7.223 -3.417 1.00 9.62 O ATOM 5 CB MET A 1 11.808 -6.290 -2.769 1.00 13.77 C ATOM 6 CG MET A 1 11.047 -4.944 -2.620 1.00 16.29 C ATOM 7 SD MET A 1 12.013 -3.669 -1.761 1.00 17.17 S ATOM 8 CE MET A 1 10.613 -2.531 -1.874 1.00 16.11 C ATOM 0 H1 MET A 1 12.193 -6.941 -5.487 1.00 9.67 H new ATOM 0 H2 MET A 1 10.820 -7.917 -5.703 1.00 9.67 H new ATOM 0 H3 MET A 1 10.641 -6.267 -5.347 1.00 9.67 H new ATOM 0 HA MET A 1 11.826 -8.330 -3.774 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.924 -6.711 -1.770 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.808 -6.060 -3.136 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.772 -4.578 -3.609 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.119 -5.117 -2.075 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.884 -1.575 -1.427 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.350 -2.380 -2.921 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.759 -2.951 -1.343 1.00 16.11 H new ATOM 20 N GLN A 2 9.909 -8.694 -2.027 1.00 9.27 N ATOM 21 CA GLN A 2 8.752 -9.093 -1.342 1.00 9.07 C ATOM 22 C GLN A 2 8.426 -8.103 -0.248 1.00 8.72 C ATOM 23 O GLN A 2 9.298 -7.747 0.503 1.00 8.22 O ATOM 24 CB GLN A 2 8.963 -10.507 -0.722 1.00 14.46 C ATOM 25 CG GLN A 2 7.762 -11.124 0.007 1.00 17.01 C ATOM 26 CD GLN A 2 7.825 -12.649 0.118 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.960 -13.232 1.161 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.968 -13.279 -1.058 1.00 19.49 N ATOM 0 H GLN A 2 10.753 -9.168 -1.706 1.00 9.27 H new ATOM 0 HA GLN A 2 7.922 -9.129 -2.048 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.264 -11.187 -1.519 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.795 -10.451 -0.020 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.699 -10.698 1.008 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.848 -10.844 -0.517 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.849 -12.764 -1.930 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.196 -14.273 -1.080 1.00 19.49 H new ATOM 37 N ILE A 3 7.127 -7.698 -0.189 1.00 5.87 N ATOM 38 CA ILE A 3 6.493 -6.936 0.837 1.00 5.07 C ATOM 39 C ILE A 3 5.127 -7.582 1.163 1.00 4.01 C ATOM 40 O ILE A 3 4.645 -8.354 0.339 1.00 4.61 O ATOM 41 CB ILE A 3 6.314 -5.443 0.551 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.352 -5.142 -0.669 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.689 -4.762 0.504 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.733 -3.766 -0.682 1.00 10.83 C ATOM 0 H ILE A 3 6.473 -7.934 -0.936 1.00 5.87 H new ATOM 0 HA ILE A 3 7.174 -6.965 1.688 1.00 5.07 H new ATOM 0 HB ILE A 3 5.770 -4.984 1.377 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.913 -5.278 -1.594 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.552 -5.882 -0.670 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.562 -3.699 0.300 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.191 -4.890 1.463 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.292 -5.213 -0.285 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.093 -3.663 -1.558 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.138 -3.626 0.221 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.520 -3.013 -0.718 1.00 10.83 H new ATOM 56 N PHE A 4 4.535 -7.292 2.359 1.00 4.55 N ATOM 57 CA PHE A 4 3.226 -7.774 2.864 1.00 4.68 C ATOM 58 C PHE A 4 2.337 -6.546 3.002 1.00 5.30 C ATOM 59 O PHE A 4 2.722 -5.453 3.395 1.00 5.58 O ATOM 60 CB PHE A 4 3.498 -8.414 4.273 1.00 4.83 C ATOM 61 CG PHE A 4 4.435 -9.629 4.179 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.162 -10.729 3.389 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.670 -9.488 4.845 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.183 -11.733 3.207 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.652 -10.500 4.663 1.00 10.61 C ATOM 66 CZ PHE A 4 6.393 -11.572 3.773 1.00 8.90 C ATOM 0 H PHE A 4 4.992 -6.677 3.033 1.00 4.55 H new ATOM 0 HA PHE A 4 2.750 -8.505 2.211 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.938 -7.666 4.933 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.553 -8.718 4.722 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.198 -10.836 2.914 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.865 -8.634 5.477 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.976 -12.613 2.617 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.588 -10.452 5.199 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.182 -12.273 3.545 1.00 8.90 H new ATOM 76 N VAL A 5 1.018 -6.724 2.663 1.00 4.44 N ATOM 77 CA VAL A 5 -0.036 -5.797 2.957 1.00 3.87 C ATOM 78 C VAL A 5 -1.071 -6.316 3.886 1.00 4.93 C ATOM 79 O VAL A 5 -1.667 -7.342 3.588 1.00 6.84 O ATOM 80 CB VAL A 5 -0.607 -5.234 1.697 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.829 -4.360 1.954 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.511 -4.329 1.002 1.00 9.13 C ATOM 0 H VAL A 5 0.690 -7.552 2.165 1.00 4.44 H new ATOM 0 HA VAL A 5 0.419 -4.979 3.516 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.914 -6.068 1.066 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.207 -3.975 1.007 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.604 -4.952 2.440 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.551 -3.527 2.599 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.115 -3.907 0.078 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.797 -3.522 1.677 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.385 -4.940 0.776 1.00 9.13 H new ATOM 92 N LYS A 6 -1.346 -5.713 5.050 1.00 6.04 N ATOM 93 CA LYS A 6 -2.185 -6.291 6.131 1.00 6.12 C ATOM 94 C LYS A 6 -3.456 -5.450 6.244 1.00 6.57 C ATOM 95 O LYS A 6 -3.477 -4.217 6.209 1.00 5.76 O ATOM 96 CB LYS A 6 -1.448 -6.278 7.447 1.00 7.45 C ATOM 97 CG LYS A 6 -2.185 -7.152 8.521 1.00 11.12 C ATOM 98 CD LYS A 6 -1.996 -8.678 8.313 1.00 14.54 C ATOM 99 CE LYS A 6 -0.544 -9.092 8.743 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.288 -10.585 8.792 1.00 20.55 N ATOM 0 H LYS A 6 -0.987 -4.787 5.281 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.427 -7.327 5.892 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.435 -6.653 7.303 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.360 -5.253 7.807 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.820 -6.880 9.512 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.250 -6.919 8.499 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.731 -9.229 8.900 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.164 -8.936 7.268 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.166 -8.640 8.050 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.340 -8.672 9.728 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.736 -10.760 8.850 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.756 -10.990 9.628 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.668 -11.031 7.932 1.00 20.55 H new ATOM 114 N THR A 7 -4.582 -6.172 6.301 1.00 7.41 N ATOM 115 CA THR A 7 -5.968 -5.599 6.313 1.00 7.48 C ATOM 116 C THR A 7 -6.547 -5.353 7.674 1.00 8.75 C ATOM 117 O THR A 7 -5.944 -5.632 8.686 1.00 8.58 O ATOM 118 CB THR A 7 -6.970 -6.377 5.432 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.502 -7.588 5.933 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.238 -6.616 4.110 1.00 9.17 C ATOM 0 H THR A 7 -4.574 -7.191 6.341 1.00 7.41 H new ATOM 0 HA THR A 7 -5.817 -4.617 5.865 1.00 7.48 H new ATOM 0 HB THR A 7 -7.870 -5.767 5.359 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.120 -7.971 5.276 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.887 -7.166 3.429 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.971 -5.658 3.663 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.333 -7.195 4.295 1.00 9.17 H new ATOM 128 N LEU A 8 -7.759 -4.859 7.686 1.00 9.84 N ATOM 129 CA LEU A 8 -8.583 -4.525 8.824 1.00 14.15 C ATOM 130 C LEU A 8 -8.996 -5.726 9.620 1.00 17.37 C ATOM 131 O LEU A 8 -8.959 -5.728 10.811 1.00 17.01 O ATOM 132 CB LEU A 8 -9.786 -3.713 8.215 1.00 16.63 C ATOM 133 CG LEU A 8 -9.554 -2.181 7.878 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.712 -1.555 7.052 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.230 -1.302 9.052 1.00 18.59 C ATOM 0 H LEU A 8 -8.243 -4.660 6.811 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.044 -3.932 9.563 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.097 -4.213 7.298 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.621 -3.779 8.913 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.655 -2.210 7.262 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.492 -0.506 6.855 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.814 -2.088 6.107 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.643 -1.631 7.614 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.091 -0.276 8.711 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.049 -1.338 9.770 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.315 -1.653 9.528 1.00 18.59 H new ATOM 147 N THR A 9 -9.392 -6.834 8.991 1.00 18.33 N ATOM 148 CA THR A 9 -9.626 -8.060 9.735 1.00 19.24 C ATOM 149 C THR A 9 -8.361 -8.974 9.797 1.00 19.48 C ATOM 150 O THR A 9 -8.410 -10.029 10.356 1.00 23.14 O ATOM 151 CB THR A 9 -10.704 -8.803 8.928 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.444 -8.872 7.573 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.013 -8.037 9.067 1.00 19.70 C ATOM 0 H THR A 9 -9.553 -6.903 7.986 1.00 18.33 H new ATOM 0 HA THR A 9 -9.904 -7.828 10.763 1.00 19.24 H new ATOM 0 HB THR A 9 -10.736 -9.818 9.324 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.168 -9.358 7.125 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.794 -8.546 8.502 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.297 -7.990 10.118 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.886 -7.026 8.680 1.00 19.70 H new ATOM 161 N GLY A 10 -7.178 -8.502 9.310 1.00 19.43 N ATOM 162 CA GLY A 10 -5.851 -9.164 9.511 1.00 18.74 C ATOM 163 C GLY A 10 -5.434 -10.073 8.413 1.00 17.62 C ATOM 164 O GLY A 10 -4.454 -10.788 8.658 1.00 19.74 O ATOM 0 H GLY A 10 -7.116 -7.644 8.762 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.091 -8.392 9.633 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.881 -9.731 10.441 1.00 18.74 H new ATOM 168 N LYS A 11 -6.085 -10.013 7.246 1.00 13.56 N ATOM 169 CA LYS A 11 -5.787 -10.823 6.126 1.00 11.91 C ATOM 170 C LYS A 11 -4.502 -10.285 5.537 1.00 10.18 C ATOM 171 O LYS A 11 -4.214 -9.089 5.641 1.00 9.10 O ATOM 172 CB LYS A 11 -7.000 -10.881 5.131 1.00 13.43 C ATOM 173 CG LYS A 11 -6.879 -11.928 3.985 1.00 16.69 C ATOM 174 CD LYS A 11 -8.025 -11.944 2.989 1.00 17.92 C ATOM 175 CE LYS A 11 -8.062 -10.794 1.981 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.108 -11.052 0.946 1.00 21.93 N ATOM 0 H LYS A 11 -6.856 -9.367 7.080 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.630 -11.867 6.397 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.904 -11.095 5.701 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.129 -9.895 4.686 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.952 -11.741 3.443 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.794 -12.919 4.430 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.985 -12.883 2.436 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.962 -11.942 3.546 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.272 -9.856 2.495 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.087 -10.686 1.505 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.353 -10.160 0.470 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.744 -11.729 0.246 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.956 -11.446 1.400 1.00 21.93 H new ATOM 190 N THR A 12 -3.679 -11.188 4.998 1.00 9.63 N ATOM 191 CA THR A 12 -2.348 -10.810 4.566 1.00 9.85 C ATOM 192 C THR A 12 -2.241 -10.938 3.034 1.00 11.66 C ATOM 193 O THR A 12 -2.620 -11.972 2.490 1.00 12.33 O ATOM 194 CB THR A 12 -1.292 -11.793 5.066 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.330 -11.835 6.467 1.00 10.91 O ATOM 196 CG2 THR A 12 0.132 -11.343 4.724 1.00 9.63 C ATOM 0 H THR A 12 -3.914 -12.170 4.855 1.00 9.63 H new ATOM 0 HA THR A 12 -2.187 -9.800 4.943 1.00 9.85 H new ATOM 0 HB THR A 12 -1.514 -12.750 4.593 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.773 -12.575 6.787 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.846 -12.076 5.101 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.237 -11.258 3.642 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.328 -10.375 5.185 1.00 9.63 H new ATOM 204 N ILE A 13 -1.632 -9.951 2.330 1.00 10.42 N ATOM 205 CA ILE A 13 -1.552 -9.952 0.869 1.00 11.84 C ATOM 206 C ILE A 13 -0.100 -10.069 0.631 1.00 10.55 C ATOM 207 O ILE A 13 0.627 -9.206 1.069 1.00 11.92 O ATOM 208 CB ILE A 13 -2.155 -8.757 0.159 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.529 -8.363 0.756 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.303 -9.016 -1.366 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.142 -7.096 0.172 1.00 16.46 C ATOM 0 H ILE A 13 -1.189 -9.143 2.767 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.155 -10.758 0.451 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.464 -7.928 0.310 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.225 -9.189 0.605 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.417 -8.233 1.832 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.739 -8.138 -1.844 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.322 -9.215 -1.798 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.952 -9.877 -1.528 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.101 -6.901 0.652 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.472 -6.254 0.346 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.292 -7.225 -0.900 1.00 16.46 H new ATOM 223 N THR A 14 0.417 -11.140 -0.011 1.00 9.39 N ATOM 224 CA THR A 14 1.896 -11.064 -0.363 1.00 9.63 C ATOM 225 C THR A 14 1.974 -10.298 -1.678 1.00 11.20 C ATOM 226 O THR A 14 1.133 -10.380 -2.544 1.00 11.63 O ATOM 227 CB THR A 14 2.550 -12.445 -0.574 1.00 10.38 C ATOM 228 OG1 THR A 14 2.239 -13.216 0.593 1.00 16.30 O ATOM 229 CG2 THR A 14 4.069 -12.406 -0.744 1.00 11.66 C ATOM 0 H THR A 14 -0.081 -11.988 -0.282 1.00 9.39 H new ATOM 0 HA THR A 14 2.428 -10.589 0.461 1.00 9.63 H new ATOM 0 HB THR A 14 2.161 -12.867 -1.501 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.632 -14.110 0.509 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.445 -13.419 -0.887 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.322 -11.799 -1.613 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.524 -11.972 0.147 1.00 11.66 H new ATOM 237 N LEU A 15 3.046 -9.452 -1.907 1.00 8.29 N ATOM 238 CA LEU A 15 3.301 -8.640 -3.142 1.00 9.03 C ATOM 239 C LEU A 15 4.761 -8.713 -3.509 1.00 8.59 C ATOM 240 O LEU A 15 5.722 -8.984 -2.793 1.00 7.79 O ATOM 241 CB LEU A 15 2.888 -7.136 -2.950 1.00 11.08 C ATOM 242 CG LEU A 15 1.463 -6.850 -2.637 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.445 -5.282 -2.497 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.501 -7.325 -3.724 1.00 15.27 C ATOM 0 H LEU A 15 3.775 -9.320 -1.206 1.00 8.29 H new ATOM 0 HA LEU A 15 2.690 -9.059 -3.942 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.498 -6.719 -2.149 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.147 -6.597 -3.861 1.00 11.08 H new ATOM 0 HG LEU A 15 1.124 -7.377 -1.745 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.434 -4.949 -2.264 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.120 -4.980 -1.696 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.769 -4.829 -3.434 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.522 -7.086 -3.434 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.738 -6.825 -4.663 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.600 -8.403 -3.851 1.00 15.27 H new ATOM 256 N GLU A 16 4.986 -8.470 -4.775 1.00 11.04 N ATOM 257 CA GLU A 16 6.270 -8.420 -5.412 1.00 11.50 C ATOM 258 C GLU A 16 6.377 -7.074 -6.066 1.00 10.13 C ATOM 259 O GLU A 16 5.613 -6.746 -6.979 1.00 9.83 O ATOM 260 CB GLU A 16 6.427 -9.562 -6.417 1.00 17.22 C ATOM 261 CG GLU A 16 7.706 -9.548 -7.317 1.00 23.33 C ATOM 262 CD GLU A 16 9.005 -9.572 -6.585 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.338 -10.519 -5.799 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.844 -8.683 -6.815 1.00 28.90 O ATOM 0 H GLU A 16 4.224 -8.290 -5.428 1.00 11.04 H new ATOM 0 HA GLU A 16 7.075 -8.549 -4.688 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.411 -10.502 -5.866 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.554 -9.561 -7.070 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.669 -10.409 -7.985 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.678 -8.657 -7.944 1.00 23.33 H new ATOM 271 N VAL A 17 7.296 -6.194 -5.569 1.00 8.99 N ATOM 272 CA VAL A 17 7.301 -4.752 -5.952 1.00 8.85 C ATOM 273 C VAL A 17 8.706 -4.396 -6.401 1.00 8.04 C ATOM 274 O VAL A 17 9.627 -5.216 -6.441 1.00 8.99 O ATOM 275 CB VAL A 17 6.876 -3.887 -4.765 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.381 -4.172 -4.336 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.745 -4.133 -3.561 1.00 10.54 C ATOM 0 H VAL A 17 8.032 -6.455 -4.912 1.00 8.99 H new ATOM 0 HA VAL A 17 6.594 -4.570 -6.761 1.00 8.85 H new ATOM 0 HB VAL A 17 6.978 -2.855 -5.100 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.118 -3.537 -3.490 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.715 -3.957 -5.172 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.278 -5.219 -4.050 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.413 -3.501 -2.737 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.672 -5.180 -3.267 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.781 -3.897 -3.805 1.00 10.54 H new ATOM 287 N GLU A 18 8.889 -3.086 -6.669 1.00 7.29 N ATOM 288 CA GLU A 18 10.192 -2.526 -7.086 1.00 7.08 C ATOM 289 C GLU A 18 10.384 -1.247 -6.271 1.00 6.45 C ATOM 290 O GLU A 18 9.342 -0.628 -5.917 1.00 5.28 O ATOM 291 CB GLU A 18 10.167 -2.224 -8.611 1.00 10.28 C ATOM 292 CG GLU A 18 9.800 -3.359 -9.607 1.00 12.65 C ATOM 293 CD GLU A 18 9.592 -2.770 -11.033 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.442 -1.950 -11.529 1.00 18.17 O ATOM 295 OE2 GLU A 18 8.554 -3.081 -11.682 1.00 14.33 O ATOM 0 H GLU A 18 8.145 -2.392 -6.603 1.00 7.29 H new ATOM 0 HA GLU A 18 11.014 -3.220 -6.910 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.463 -1.408 -8.771 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.154 -1.853 -8.887 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.592 -4.108 -9.626 1.00 12.65 H new ATOM 0 HG3 GLU A 18 8.892 -3.864 -9.277 1.00 12.65 H new ATOM 302 N PRO A 19 11.532 -0.794 -5.806 1.00 7.24 N ATOM 303 CA PRO A 19 11.756 0.433 -4.939 1.00 7.07 C ATOM 304 C PRO A 19 11.268 1.722 -5.493 1.00 6.65 C ATOM 305 O PRO A 19 10.999 2.691 -4.767 1.00 6.37 O ATOM 306 CB PRO A 19 13.263 0.418 -4.851 1.00 7.61 C ATOM 307 CG PRO A 19 13.659 -1.018 -4.817 1.00 8.16 C ATOM 308 CD PRO A 19 12.770 -1.604 -5.843 1.00 7.49 C ATOM 0 HA PRO A 19 11.203 0.380 -4.001 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.709 0.925 -5.707 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.607 0.939 -3.957 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.712 -1.157 -5.061 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.498 -1.463 -3.835 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.233 -1.568 -6.829 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.560 -2.652 -5.627 1.00 7.49 H new ATOM 316 N SER A 20 11.240 1.782 -6.802 1.00 6.80 N ATOM 317 CA SER A 20 10.797 2.892 -7.582 1.00 6.28 C ATOM 318 C SER A 20 9.326 2.861 -7.931 1.00 8.45 C ATOM 319 O SER A 20 8.809 3.729 -8.575 1.00 7.26 O ATOM 320 CB SER A 20 11.693 2.972 -8.899 1.00 8.57 C ATOM 321 OG SER A 20 11.718 1.633 -9.428 1.00 11.13 O ATOM 0 H SER A 20 11.548 1.001 -7.381 1.00 6.80 H new ATOM 0 HA SER A 20 10.917 3.787 -6.972 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.270 3.671 -9.620 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.699 3.322 -8.669 1.00 8.57 H new ATOM 0 HG SER A 20 12.256 1.615 -10.247 1.00 11.13 H new ATOM 327 N ASP A 21 8.515 1.871 -7.446 1.00 7.50 N ATOM 328 CA ASP A 21 7.095 1.951 -7.580 1.00 7.70 C ATOM 329 C ASP A 21 6.439 3.008 -6.660 1.00 7.08 C ATOM 330 O ASP A 21 6.803 3.203 -5.511 1.00 8.11 O ATOM 331 CB ASP A 21 6.476 0.533 -7.429 1.00 11.00 C ATOM 332 CG ASP A 21 6.597 -0.391 -8.662 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.124 0.030 -9.707 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.094 -1.513 -8.514 1.00 18.03 O ATOM 0 H ASP A 21 8.852 1.034 -6.971 1.00 7.50 H new ATOM 0 HA ASP A 21 6.875 2.315 -8.584 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.950 0.039 -6.581 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.420 0.643 -7.184 1.00 11.00 H new ATOM 339 N THR A 22 5.425 3.769 -7.175 1.00 5.37 N ATOM 340 CA THR A 22 4.668 4.727 -6.448 1.00 6.01 C ATOM 341 C THR A 22 3.630 4.090 -5.679 1.00 8.01 C ATOM 342 O THR A 22 3.194 2.970 -5.972 1.00 8.11 O ATOM 343 CB THR A 22 3.959 5.827 -7.347 1.00 8.92 C ATOM 344 OG1 THR A 22 3.127 5.192 -8.350 1.00 10.22 O ATOM 345 CG2 THR A 22 5.019 6.598 -8.065 1.00 9.65 C ATOM 0 H THR A 22 5.135 3.696 -8.150 1.00 5.37 H new ATOM 0 HA THR A 22 5.406 5.220 -5.815 1.00 6.01 H new ATOM 0 HB THR A 22 3.350 6.471 -6.712 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.202 5.501 -8.251 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.554 7.361 -8.690 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.677 7.075 -7.339 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.600 5.921 -8.691 1.00 9.65 H new ATOM 353 N ILE A 23 3.189 4.749 -4.592 1.00 8.32 N ATOM 354 CA ILE A 23 2.076 4.266 -3.754 1.00 9.92 C ATOM 355 C ILE A 23 0.747 4.004 -4.524 1.00 10.01 C ATOM 356 O ILE A 23 0.008 3.040 -4.261 1.00 8.71 O ATOM 357 CB ILE A 23 1.759 5.241 -2.635 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.906 5.549 -1.681 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.454 4.835 -1.832 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.482 4.235 -1.012 1.00 12.30 C ATOM 0 H ILE A 23 3.593 5.629 -4.270 1.00 8.32 H new ATOM 0 HA ILE A 23 2.440 3.314 -3.368 1.00 9.92 H new ATOM 0 HB ILE A 23 1.573 6.175 -3.165 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.702 6.060 -2.222 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.560 6.231 -0.904 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.271 5.564 -1.043 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.399 4.813 -2.511 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.591 3.848 -1.390 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.298 4.497 -0.339 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.693 3.737 -0.449 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.852 3.564 -1.787 1.00 12.30 H new ATOM 372 N GLU A 24 0.326 4.871 -5.482 1.00 9.54 N ATOM 373 CA GLU A 24 -0.709 4.577 -6.432 1.00 11.81 C ATOM 374 C GLU A 24 -0.473 3.242 -7.280 1.00 11.14 C ATOM 375 O GLU A 24 -1.375 2.437 -7.472 1.00 10.62 O ATOM 376 CB GLU A 24 -0.870 5.847 -7.388 1.00 19.24 C ATOM 377 CG GLU A 24 -1.881 5.625 -8.528 1.00 27.76 C ATOM 378 CD GLU A 24 -2.073 6.876 -9.326 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.141 7.676 -9.613 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.227 7.108 -9.807 1.00 36.51 O ATOM 0 H GLU A 24 0.722 5.804 -5.594 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.625 4.380 -5.875 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.186 6.704 -6.793 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.101 6.097 -7.816 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.530 4.824 -9.179 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.837 5.303 -8.114 1.00 27.76 H new ATOM 387 N ASN A 25 0.787 3.031 -7.735 1.00 9.43 N ATOM 388 CA ASN A 25 1.163 1.737 -8.335 1.00 10.96 C ATOM 389 C ASN A 25 1.089 0.483 -7.428 1.00 9.68 C ATOM 390 O ASN A 25 0.655 -0.522 -7.812 1.00 9.33 O ATOM 391 CB ASN A 25 2.463 1.739 -9.117 1.00 16.78 C ATOM 392 CG ASN A 25 2.188 2.343 -10.505 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.258 3.525 -10.846 1.00 25.66 O ATOM 394 ND2 ASN A 25 1.808 1.458 -11.427 1.00 24.70 N ATOM 0 H ASN A 25 1.537 3.721 -7.698 1.00 9.43 H new ATOM 0 HA ASN A 25 0.340 1.634 -9.043 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.221 2.321 -8.593 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.850 0.725 -9.214 1.00 16.78 H new ATOM 0 HD21 ASN A 25 1.588 1.770 -12.373 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.737 0.469 -11.186 1.00 24.70 H new ATOM 401 N VAL A 26 1.452 0.560 -6.118 1.00 6.52 N ATOM 402 CA VAL A 26 1.227 -0.499 -5.094 1.00 5.53 C ATOM 403 C VAL A 26 -0.239 -0.693 -4.897 1.00 4.42 C ATOM 404 O VAL A 26 -0.721 -1.808 -4.744 1.00 3.40 O ATOM 405 CB VAL A 26 1.902 -0.076 -3.785 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.560 -1.154 -2.743 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.419 0.089 -4.083 1.00 8.12 C ATOM 0 H VAL A 26 1.921 1.381 -5.735 1.00 6.52 H new ATOM 0 HA VAL A 26 1.659 -1.444 -5.424 1.00 5.53 H new ATOM 0 HB VAL A 26 1.560 0.877 -3.382 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.020 -0.897 -1.789 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.478 -1.211 -2.620 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.939 -2.119 -3.080 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.938 0.391 -3.173 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.826 -0.859 -4.435 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.558 0.851 -4.850 1.00 8.12 H new ATOM 417 N LYS A 27 -1.068 0.414 -4.976 1.00 2.64 N ATOM 418 CA LYS A 27 -2.516 0.298 -4.908 1.00 4.14 C ATOM 419 C LYS A 27 -3.022 -0.487 -6.154 1.00 5.58 C ATOM 420 O LYS A 27 -3.959 -1.244 -6.033 1.00 4.11 O ATOM 421 CB LYS A 27 -3.206 1.674 -4.765 1.00 3.97 C ATOM 422 CG LYS A 27 -2.966 2.263 -3.336 1.00 7.45 C ATOM 423 CD LYS A 27 -3.454 3.752 -3.167 1.00 9.02 C ATOM 424 CE LYS A 27 -3.326 4.255 -1.753 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.743 5.625 -1.654 1.00 15.47 N ATOM 0 H LYS A 27 -0.729 1.370 -5.085 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.783 -0.257 -4.009 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.819 2.361 -5.517 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.276 1.571 -4.947 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.479 1.638 -2.605 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.902 2.212 -3.107 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.876 4.396 -3.830 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.495 3.825 -3.480 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.930 3.638 -1.088 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.292 4.161 -1.422 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.178 6.108 -0.927 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.605 6.097 -2.570 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.749 5.664 -1.393 1.00 15.47 H new ATOM 439 N ALA A 28 -2.364 -0.418 -7.322 1.00 6.61 N ATOM 440 CA ALA A 28 -2.579 -1.252 -8.427 1.00 7.74 C ATOM 441 C ALA A 28 -2.270 -2.739 -8.159 1.00 9.17 C ATOM 442 O ALA A 28 -3.059 -3.615 -8.584 1.00 11.45 O ATOM 443 CB ALA A 28 -1.825 -0.743 -9.735 1.00 7.68 C ATOM 0 H ALA A 28 -1.634 0.274 -7.490 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.652 -1.188 -8.611 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.026 -1.426 -10.560 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.180 0.254 -9.995 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.752 -0.708 -9.546 1.00 7.68 H new ATOM 449 N LYS A 29 -1.214 -3.165 -7.406 1.00 8.96 N ATOM 450 CA LYS A 29 -0.925 -4.499 -6.990 1.00 7.90 C ATOM 451 C LYS A 29 -1.902 -5.046 -6.013 1.00 6.92 C ATOM 452 O LYS A 29 -2.305 -6.206 -6.127 1.00 6.87 O ATOM 453 CB LYS A 29 0.543 -4.626 -6.446 1.00 10.28 C ATOM 454 CG LYS A 29 1.625 -3.932 -7.184 1.00 14.94 C ATOM 455 CD LYS A 29 1.969 -4.674 -8.451 1.00 19.69 C ATOM 456 CE LYS A 29 3.305 -4.224 -9.025 1.00 22.63 C ATOM 457 NZ LYS A 29 3.899 -5.164 -10.095 1.00 24.98 N ATOM 0 H LYS A 29 -0.512 -2.506 -7.068 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.019 -5.111 -7.887 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.551 -4.259 -5.420 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.793 -5.686 -6.407 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.313 -2.916 -7.425 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.510 -3.852 -6.552 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.003 -5.744 -8.248 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.184 -4.515 -9.190 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.182 -3.232 -9.461 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.021 -4.127 -8.209 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.806 -4.780 -10.429 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.052 -6.106 -9.683 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.239 -5.240 -10.895 1.00 24.98 H new ATOM 471 N ILE A 30 -2.348 -4.242 -5.010 1.00 4.57 N ATOM 472 CA ILE A 30 -3.457 -4.637 -4.113 1.00 5.58 C ATOM 473 C ILE A 30 -4.749 -4.821 -4.850 1.00 7.26 C ATOM 474 O ILE A 30 -5.516 -5.764 -4.563 1.00 9.46 O ATOM 475 CB ILE A 30 -3.647 -3.637 -2.978 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.360 -3.624 -2.058 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.878 -3.968 -2.137 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.264 -2.404 -1.152 1.00 2.00 C ATOM 0 H ILE A 30 -1.956 -3.323 -4.807 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.172 -5.599 -3.688 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.797 -2.652 -3.420 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.356 -4.523 -1.442 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.473 -3.666 -2.690 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.981 -3.234 -1.338 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.767 -3.945 -2.768 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.766 -4.962 -1.704 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.356 -2.467 -0.552 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.235 -1.500 -1.761 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.132 -2.371 -0.494 1.00 2.00 H new ATOM 490 N GLN A 31 -5.132 -3.916 -5.841 1.00 7.06 N ATOM 491 CA GLN A 31 -6.204 -4.064 -6.766 1.00 8.67 C ATOM 492 C GLN A 31 -6.091 -5.305 -7.610 1.00 10.90 C ATOM 493 O GLN A 31 -7.069 -5.890 -7.971 1.00 9.63 O ATOM 494 CB GLN A 31 -6.245 -2.902 -7.668 1.00 9.12 C ATOM 495 CG GLN A 31 -7.464 -2.888 -8.638 1.00 10.76 C ATOM 496 CD GLN A 31 -7.335 -3.658 -9.944 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.232 -4.020 -10.354 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.458 -3.819 -10.681 1.00 14.76 N ATOM 0 H GLN A 31 -4.635 -3.035 -5.973 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.114 -4.142 -6.170 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.262 -1.992 -7.069 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.327 -2.880 -8.256 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.326 -3.282 -8.100 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -7.688 -1.849 -8.881 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.358 -3.509 -10.314 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.405 -4.251 -11.604 1.00 14.76 H new ATOM 507 N ASP A 32 -4.858 -5.722 -7.981 1.00 10.93 N ATOM 508 CA ASP A 32 -4.655 -6.903 -8.851 1.00 14.01 C ATOM 509 C ASP A 32 -4.950 -8.249 -8.133 1.00 14.04 C ATOM 510 O ASP A 32 -5.537 -9.231 -8.636 1.00 13.39 O ATOM 511 CB ASP A 32 -3.142 -6.846 -9.362 1.00 18.01 C ATOM 512 CG ASP A 32 -3.017 -7.651 -10.637 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.658 -7.291 -11.653 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.246 -8.648 -10.622 1.00 25.17 O ATOM 0 H ASP A 32 -3.994 -5.261 -7.694 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.360 -6.865 -9.681 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.844 -5.813 -9.540 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.473 -7.244 -8.599 1.00 18.01 H new ATOM 519 N LYS A 33 -4.621 -8.241 -6.817 1.00 14.22 N ATOM 520 CA LYS A 33 -4.966 -9.324 -5.896 1.00 14.00 C ATOM 521 C LYS A 33 -6.501 -9.306 -5.588 1.00 12.37 C ATOM 522 O LYS A 33 -7.201 -10.323 -5.857 1.00 12.17 O ATOM 523 CB LYS A 33 -4.091 -9.126 -4.701 1.00 18.62 C ATOM 524 CG LYS A 33 -2.582 -9.256 -5.000 1.00 24.00 C ATOM 525 CD LYS A 33 -2.047 -10.644 -4.834 1.00 27.61 C ATOM 526 CE LYS A 33 -0.645 -10.810 -5.412 1.00 27.64 C ATOM 527 NZ LYS A 33 0.186 -11.835 -4.764 1.00 30.06 N ATOM 0 H LYS A 33 -4.109 -7.477 -6.376 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.787 -10.317 -6.308 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.284 -8.139 -4.281 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.364 -9.855 -3.938 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.394 -8.925 -6.021 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.032 -8.584 -4.341 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.031 -10.898 -3.774 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.721 -11.349 -5.320 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.733 -11.054 -6.471 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.128 -9.853 -5.347 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.946 -12.126 -5.411 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.602 -11.446 -3.894 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.402 -12.660 -4.528 1.00 30.06 H new ATOM 541 N GLU A 34 -6.995 -8.182 -4.980 1.00 10.11 N ATOM 542 CA GLU A 34 -8.234 -8.253 -4.203 1.00 10.07 C ATOM 543 C GLU A 34 -9.410 -7.597 -4.962 1.00 9.32 C ATOM 544 O GLU A 34 -10.571 -7.760 -4.616 1.00 11.61 O ATOM 545 CB GLU A 34 -8.058 -7.465 -2.858 1.00 14.77 C ATOM 546 CG GLU A 34 -7.224 -8.257 -1.889 1.00 18.75 C ATOM 547 CD GLU A 34 -8.024 -9.347 -1.397 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.030 -8.975 -0.713 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.791 -10.537 -1.624 1.00 21.95 O ATOM 0 H GLU A 34 -6.560 -7.260 -5.020 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.448 -9.307 -4.025 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.584 -6.503 -3.053 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.035 -7.257 -2.421 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.327 -8.635 -2.379 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.895 -7.624 -1.065 1.00 18.75 H new ATOM 556 N GLY A 35 -9.114 -6.907 -6.065 1.00 7.22 N ATOM 557 CA GLY A 35 -10.049 -6.087 -6.754 1.00 6.29 C ATOM 558 C GLY A 35 -10.421 -4.812 -6.195 1.00 6.93 C ATOM 559 O GLY A 35 -11.399 -4.234 -6.608 1.00 7.41 O ATOM 0 H GLY A 35 -8.189 -6.919 -6.495 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.649 -5.902 -7.751 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.963 -6.668 -6.879 1.00 6.29 H new ATOM 563 N ILE A 36 -9.669 -4.373 -5.148 1.00 5.86 N ATOM 564 CA ILE A 36 -10.063 -3.231 -4.470 1.00 6.07 C ATOM 565 C ILE A 36 -9.656 -1.961 -5.211 1.00 6.36 C ATOM 566 O ILE A 36 -8.453 -1.864 -5.602 1.00 6.18 O ATOM 567 CB ILE A 36 -9.526 -3.161 -3.015 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.827 -4.466 -2.192 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.048 -1.863 -2.289 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.241 -4.347 -0.781 1.00 9.49 C ATOM 0 H ILE A 36 -8.818 -4.819 -4.806 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.150 -3.295 -4.424 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.440 -3.096 -3.074 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.903 -4.629 -2.134 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.401 -5.331 -2.699 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.660 -1.834 -1.271 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.708 -0.981 -2.832 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.138 -1.875 -2.261 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.456 -5.257 -0.220 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.162 -4.207 -0.846 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.688 -3.493 -0.272 1.00 9.49 H new ATOM 582 N PRO A 37 -10.509 -0.969 -5.550 1.00 8.65 N ATOM 583 CA PRO A 37 -10.143 0.187 -6.284 1.00 9.18 C ATOM 584 C PRO A 37 -9.069 1.029 -5.676 1.00 9.85 C ATOM 585 O PRO A 37 -9.158 1.263 -4.448 1.00 8.51 O ATOM 586 CB PRO A 37 -11.417 0.995 -6.494 1.00 11.42 C ATOM 587 CG PRO A 37 -12.495 -0.012 -6.291 1.00 9.27 C ATOM 588 CD PRO A 37 -11.932 -1.011 -5.244 1.00 8.33 C ATOM 0 HA PRO A 37 -9.696 -0.145 -7.221 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.495 1.817 -5.782 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.457 1.432 -7.492 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.410 0.459 -5.933 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.741 -0.518 -7.225 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.142 -0.698 -4.221 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.349 -2.011 -5.363 1.00 8.33 H new ATOM 596 N PRO A 38 -8.059 1.472 -6.394 1.00 8.71 N ATOM 597 CA PRO A 38 -7.016 2.373 -5.835 1.00 9.08 C ATOM 598 C PRO A 38 -7.535 3.584 -5.176 1.00 9.28 C ATOM 599 O PRO A 38 -6.857 4.056 -4.250 1.00 6.50 O ATOM 600 CB PRO A 38 -6.036 2.586 -6.997 1.00 10.31 C ATOM 601 CG PRO A 38 -6.983 2.596 -8.238 1.00 10.81 C ATOM 602 CD PRO A 38 -7.976 1.508 -7.877 1.00 12.00 C ATOM 0 HA PRO A 38 -6.500 1.932 -4.983 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.486 3.522 -6.898 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.297 1.787 -7.057 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.467 3.563 -8.375 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.449 2.373 -9.162 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.953 1.717 -8.313 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.652 0.544 -8.269 1.00 12.00 H new ATOM 610 N ASP A 39 -8.730 4.163 -5.602 1.00 11.20 N ATOM 611 CA ASP A 39 -9.184 5.409 -4.968 1.00 14.96 C ATOM 612 C ASP A 39 -9.805 5.087 -3.594 1.00 13.99 C ATOM 613 O ASP A 39 -9.982 5.973 -2.759 1.00 13.75 O ATOM 614 CB ASP A 39 -10.170 6.176 -5.896 1.00 24.16 C ATOM 615 CG ASP A 39 -9.472 6.732 -7.073 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.343 7.283 -6.975 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.109 6.545 -8.131 1.00 34.22 O ATOM 0 H ASP A 39 -9.337 3.793 -6.334 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.332 6.069 -4.808 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.963 5.504 -6.224 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.646 6.982 -5.338 1.00 24.16 H new ATOM 622 N GLN A 40 -10.115 3.817 -3.257 1.00 11.60 N ATOM 623 CA GLN A 40 -10.777 3.427 -2.058 1.00 10.76 C ATOM 624 C GLN A 40 -9.761 3.012 -1.037 1.00 8.01 C ATOM 625 O GLN A 40 -10.139 2.528 0.036 1.00 8.96 O ATOM 626 CB GLN A 40 -11.727 2.189 -2.409 1.00 11.14 C ATOM 627 CG GLN A 40 -12.884 1.957 -1.392 1.00 14.85 C ATOM 628 CD GLN A 40 -13.912 0.873 -1.722 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.142 -0.052 -1.024 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.692 1.099 -2.826 1.00 18.16 N ATOM 0 H GLN A 40 -9.888 3.025 -3.858 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.361 4.254 -1.653 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.156 2.345 -3.399 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.120 1.285 -2.463 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.439 1.715 -0.427 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.418 2.900 -1.270 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.499 1.896 -3.433 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.466 0.470 -3.041 1.00 18.16 H new ATOM 639 N GLN A 41 -8.487 3.042 -1.369 1.00 6.52 N ATOM 640 CA GLN A 41 -7.441 2.465 -0.561 1.00 3.87 C ATOM 641 C GLN A 41 -6.624 3.569 0.098 1.00 4.79 C ATOM 642 O GLN A 41 -6.246 4.532 -0.582 1.00 6.34 O ATOM 643 CB GLN A 41 -6.417 1.627 -1.377 1.00 4.20 C ATOM 644 CG GLN A 41 -6.984 0.302 -1.851 1.00 3.20 C ATOM 645 CD GLN A 41 -5.892 -0.334 -2.658 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.735 -0.440 -2.266 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.178 -0.694 -3.918 1.00 7.13 N ATOM 0 H GLN A 41 -8.146 3.478 -2.226 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.956 1.823 0.154 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.088 2.205 -2.240 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.536 1.441 -0.763 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.267 -0.328 -1.008 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.881 0.451 -2.452 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.133 -0.615 -4.267 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.440 -1.047 -4.527 1.00 7.13 H new ATOM 656 N ARG A 42 -6.343 3.447 1.415 1.00 5.73 N ATOM 657 CA ARG A 42 -5.473 4.319 2.181 1.00 6.97 C ATOM 658 C ARG A 42 -4.327 3.541 2.818 1.00 7.15 C ATOM 659 O ARG A 42 -4.553 2.518 3.511 1.00 7.33 O ATOM 660 CB ARG A 42 -6.089 5.043 3.391 1.00 13.23 C ATOM 661 CG ARG A 42 -7.034 6.147 2.930 1.00 21.27 C ATOM 662 CD ARG A 42 -7.161 7.264 3.918 1.00 26.14 C ATOM 663 NE ARG A 42 -7.864 8.353 3.328 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.136 8.600 3.545 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.930 7.649 4.033 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.801 9.652 3.045 1.00 36.39 N ATOM 0 H ARG A 42 -6.742 2.700 1.983 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.192 5.044 1.417 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.630 4.329 4.012 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.298 5.468 4.009 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.678 6.548 1.981 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.020 5.719 2.746 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.689 6.917 4.807 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.172 7.590 4.241 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.352 8.975 2.703 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.551 6.725 4.240 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.917 7.845 4.200 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.317 10.326 2.452 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.791 9.778 3.258 1.00 36.39 H new ATOM 680 N LEU A 43 -3.085 3.883 2.566 1.00 4.65 N ATOM 681 CA LEU A 43 -1.973 3.038 2.954 1.00 3.51 C ATOM 682 C LEU A 43 -1.017 3.530 4.085 1.00 5.56 C ATOM 683 O LEU A 43 -0.623 4.685 4.170 1.00 4.19 O ATOM 684 CB LEU A 43 -1.050 2.479 1.841 1.00 3.74 C ATOM 685 CG LEU A 43 -1.664 1.455 0.864 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.813 1.378 -0.438 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.846 0.077 1.536 1.00 6.41 C ATOM 0 H LEU A 43 -2.815 4.745 2.092 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.620 2.249 3.337 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.676 3.321 1.258 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.187 2.015 2.319 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.662 1.791 0.583 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.256 0.652 -1.120 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.790 2.357 -0.916 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.203 1.070 -0.191 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.281 -0.622 0.821 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.877 -0.297 1.866 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.509 0.176 2.396 1.00 6.41 H new ATOM 699 N ILE A 44 -0.681 2.660 5.066 1.00 4.58 N ATOM 700 CA ILE A 44 -0.019 3.168 6.252 1.00 5.55 C ATOM 701 C ILE A 44 1.153 2.370 6.612 1.00 5.46 C ATOM 702 O ILE A 44 1.046 1.175 6.640 1.00 6.04 O ATOM 703 CB ILE A 44 -0.940 3.273 7.469 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.728 4.562 7.386 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.165 3.096 8.785 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.063 4.596 8.133 1.00 13.90 C ATOM 0 H ILE A 44 -0.854 1.655 5.050 1.00 4.58 H new ATOM 0 HA ILE A 44 0.295 4.176 5.979 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.658 2.453 7.462 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.103 5.369 7.768 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.920 4.777 6.335 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.853 3.177 9.626 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.310 2.115 8.798 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.598 3.870 8.865 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.531 5.571 7.997 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.720 3.820 7.740 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.890 4.421 9.195 1.00 13.90 H new ATOM 718 N PHE A 45 2.347 3.006 6.831 1.00 6.75 N ATOM 719 CA PHE A 45 3.551 2.346 7.168 1.00 4.70 C ATOM 720 C PHE A 45 4.101 2.871 8.444 1.00 6.34 C ATOM 721 O PHE A 45 4.538 3.994 8.507 1.00 5.45 O ATOM 722 CB PHE A 45 4.517 2.406 5.992 1.00 5.51 C ATOM 723 CG PHE A 45 5.845 1.727 6.202 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.872 0.370 6.486 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.036 2.415 6.212 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.086 -0.299 6.699 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.245 1.784 6.456 1.00 6.64 C ATOM 728 CZ PHE A 45 8.280 0.425 6.689 1.00 6.84 C ATOM 0 H PHE A 45 2.450 4.019 6.764 1.00 6.75 H new ATOM 0 HA PHE A 45 3.363 1.289 7.354 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.033 1.957 5.125 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.699 3.453 5.748 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.944 -0.180 6.544 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.028 3.479 6.024 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.097 -1.365 6.869 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.161 2.357 6.464 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.222 -0.074 6.862 1.00 6.84 H new ATOM 738 N ALA A 46 4.145 2.024 9.497 1.00 6.53 N ATOM 739 CA ALA A 46 4.555 2.277 10.853 1.00 7.15 C ATOM 740 C ALA A 46 4.044 3.594 11.346 1.00 9.00 C ATOM 741 O ALA A 46 4.809 4.509 11.678 1.00 11.15 O ATOM 742 CB ALA A 46 6.087 2.172 10.954 1.00 8.99 C ATOM 0 H ALA A 46 3.860 1.052 9.381 1.00 6.53 H new ATOM 0 HA ALA A 46 4.116 1.521 11.504 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.398 2.364 11.981 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.403 1.171 10.660 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.546 2.907 10.293 1.00 8.99 H new ATOM 748 N GLY A 47 2.716 3.754 11.452 1.00 9.35 N ATOM 749 CA GLY A 47 2.042 4.932 11.957 1.00 11.68 C ATOM 750 C GLY A 47 1.846 6.055 11.002 1.00 11.14 C ATOM 751 O GLY A 47 1.156 6.986 11.329 1.00 13.93 O ATOM 0 H GLY A 47 2.063 3.023 11.171 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.064 4.629 12.331 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.607 5.307 12.810 1.00 11.68 H new ATOM 755 N LYS A 48 2.480 5.985 9.762 1.00 10.47 N ATOM 756 CA LYS A 48 2.530 7.179 8.918 1.00 8.82 C ATOM 757 C LYS A 48 1.680 6.877 7.638 1.00 7.68 C ATOM 758 O LYS A 48 1.807 5.808 7.025 1.00 6.47 O ATOM 759 CB LYS A 48 3.985 7.452 8.449 1.00 9.74 C ATOM 760 CG LYS A 48 4.112 8.758 7.681 1.00 14.14 C ATOM 761 CD LYS A 48 5.521 9.336 7.632 1.00 16.32 C ATOM 762 CE LYS A 48 5.674 10.573 6.698 1.00 20.04 C ATOM 763 NZ LYS A 48 4.770 11.587 7.191 1.00 23.92 N ATOM 0 H LYS A 48 2.926 5.153 9.376 1.00 10.47 H new ATOM 0 HA LYS A 48 2.159 8.038 9.477 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.644 7.478 9.317 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.321 6.629 7.818 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.764 8.598 6.660 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.448 9.495 8.133 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.821 9.618 8.641 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.209 8.558 7.301 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.702 10.936 6.704 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.435 10.311 5.668 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.003 12.502 6.755 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 3.792 11.327 6.950 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.863 11.663 8.224 1.00 23.92 H new ATOM 777 N GLN A 49 0.758 7.806 7.297 1.00 8.89 N ATOM 778 CA GLN A 49 -0.025 7.665 6.021 1.00 7.18 C ATOM 779 C GLN A 49 0.804 8.089 4.811 1.00 8.23 C ATOM 780 O GLN A 49 1.623 9.088 4.787 1.00 9.70 O ATOM 781 CB GLN A 49 -1.417 8.383 6.097 1.00 11.67 C ATOM 782 CG GLN A 49 -2.417 7.894 5.085 1.00 15.82 C ATOM 783 CD GLN A 49 -3.716 8.715 5.075 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.039 9.289 4.001 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.439 8.986 6.230 1.00 20.67 N ATOM 0 H GLN A 49 0.535 8.632 7.852 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.250 6.607 5.888 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.831 8.245 7.096 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.269 9.454 5.958 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.966 7.926 4.093 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.655 6.851 5.293 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.189 8.529 7.107 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.220 9.642 6.201 1.00 20.67 H new ATOM 794 N LEU A 50 0.624 7.327 3.689 1.00 6.51 N ATOM 795 CA LEU A 50 1.566 7.377 2.612 1.00 7.41 C ATOM 796 C LEU A 50 0.762 7.956 1.439 1.00 8.27 C ATOM 797 O LEU A 50 -0.388 7.502 1.238 1.00 8.34 O ATOM 798 CB LEU A 50 2.199 6.034 2.145 1.00 7.13 C ATOM 799 CG LEU A 50 2.658 5.146 3.348 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.971 3.688 2.979 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.896 5.787 4.043 1.00 9.11 C ATOM 0 H LEU A 50 -0.162 6.693 3.542 1.00 6.51 H new ATOM 0 HA LEU A 50 2.424 7.954 2.957 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.475 5.483 1.544 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.054 6.242 1.502 1.00 7.13 H new ATOM 0 HG LEU A 50 1.807 5.110 4.028 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.281 3.145 3.872 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.080 3.219 2.561 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.774 3.663 2.242 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.208 5.162 4.879 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.713 5.869 3.327 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.634 6.779 4.410 1.00 9.11 H new ATOM 813 N GLU A 51 1.287 8.917 0.651 1.00 9.43 N ATOM 814 CA GLU A 51 0.533 9.512 -0.410 1.00 11.90 C ATOM 815 C GLU A 51 0.856 9.034 -1.889 1.00 11.49 C ATOM 816 O GLU A 51 1.975 8.596 -2.154 1.00 9.88 O ATOM 817 CB GLU A 51 0.651 11.122 -0.299 1.00 16.56 C ATOM 818 CG GLU A 51 2.053 11.710 -0.482 1.00 26.06 C ATOM 819 CD GLU A 51 1.961 13.178 -0.725 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.749 13.534 -1.908 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.109 13.999 0.235 1.00 32.13 O ATOM 0 H GLU A 51 2.235 9.281 0.750 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.487 9.159 -0.256 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.007 11.566 -1.046 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.276 11.427 0.678 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.656 11.517 0.405 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.554 11.225 -1.320 1.00 26.06 H new ATOM 828 N ASP A 52 -0.179 8.962 -2.774 1.00 12.71 N ATOM 829 CA ASP A 52 -0.284 8.345 -4.079 1.00 16.56 C ATOM 830 C ASP A 52 0.896 8.665 -4.948 1.00 15.83 C ATOM 831 O ASP A 52 1.389 7.723 -5.601 1.00 17.21 O ATOM 832 CB ASP A 52 -1.616 8.764 -4.724 1.00 21.05 C ATOM 833 CG ASP A 52 -2.757 8.416 -3.802 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.876 7.239 -3.471 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.446 9.377 -3.408 1.00 25.82 O ATOM 0 H ASP A 52 -1.066 9.403 -2.530 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.276 7.261 -3.964 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.612 9.835 -4.926 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.742 8.259 -5.682 1.00 21.05 H new ATOM 840 N GLY A 53 1.405 9.885 -5.009 1.00 15.00 N ATOM 841 CA GLY A 53 2.509 10.313 -5.873 1.00 11.77 C ATOM 842 C GLY A 53 3.920 10.063 -5.280 1.00 11.10 C ATOM 843 O GLY A 53 4.865 10.604 -5.894 1.00 11.25 O ATOM 0 H GLY A 53 1.046 10.646 -4.432 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.431 9.791 -6.827 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.399 11.377 -6.082 1.00 11.77 H new ATOM 847 N ARG A 54 4.122 9.355 -4.161 1.00 8.53 N ATOM 848 CA ARG A 54 5.415 9.080 -3.498 1.00 9.05 C ATOM 849 C ARG A 54 5.782 7.620 -3.711 1.00 8.96 C ATOM 850 O ARG A 54 4.985 6.709 -3.783 1.00 11.60 O ATOM 851 CB ARG A 54 5.435 9.485 -2.028 1.00 7.97 C ATOM 852 CG ARG A 54 5.576 11.009 -1.807 1.00 9.62 C ATOM 853 CD ARG A 54 6.961 11.482 -2.222 1.00 12.20 C ATOM 854 NE ARG A 54 7.026 12.965 -2.053 1.00 18.23 N ATOM 855 CZ ARG A 54 8.056 13.657 -1.610 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.234 13.163 -1.279 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.961 14.970 -1.382 1.00 23.38 N ATOM 0 H ARG A 54 3.342 8.930 -3.659 1.00 8.53 H new ATOM 0 HA ARG A 54 6.178 9.706 -3.960 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.516 9.141 -1.553 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.261 8.976 -1.531 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.817 11.538 -2.383 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.403 11.248 -0.758 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.725 10.998 -1.614 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.159 11.210 -3.259 1.00 12.20 H new ATOM 0 HE ARG A 54 6.191 13.494 -2.305 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.407 12.161 -1.357 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.972 13.783 -0.945 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.079 15.454 -1.551 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.770 15.488 -1.039 1.00 23.38 H new ATOM 871 N THR A 55 7.121 7.431 -3.919 1.00 9.05 N ATOM 872 CA THR A 55 7.755 6.072 -4.118 1.00 9.03 C ATOM 873 C THR A 55 7.874 5.335 -2.780 1.00 8.15 C ATOM 874 O THR A 55 7.930 5.984 -1.729 1.00 5.91 O ATOM 875 CB THR A 55 9.053 6.097 -4.825 1.00 11.15 C ATOM 876 OG1 THR A 55 10.051 6.953 -4.186 1.00 11.95 O ATOM 877 CG2 THR A 55 8.817 6.694 -6.250 1.00 11.71 C ATOM 0 H THR A 55 7.790 8.200 -3.955 1.00 9.05 H new ATOM 0 HA THR A 55 7.081 5.527 -4.779 1.00 9.03 H new ATOM 0 HB THR A 55 9.426 5.073 -4.829 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.885 6.924 -4.701 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.762 6.723 -6.793 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.106 6.071 -6.792 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.419 7.705 -6.160 1.00 11.71 H new ATOM 885 N LEU A 56 7.994 3.956 -2.912 1.00 6.91 N ATOM 886 CA LEU A 56 8.399 3.094 -1.789 1.00 8.29 C ATOM 887 C LEU A 56 9.680 3.482 -1.140 1.00 8.05 C ATOM 888 O LEU A 56 9.792 3.556 0.066 1.00 10.17 O ATOM 889 CB LEU A 56 8.510 1.711 -2.336 1.00 6.60 C ATOM 890 CG LEU A 56 7.093 1.082 -2.551 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.184 -0.136 -3.495 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.366 0.787 -1.315 1.00 8.64 C ATOM 0 H LEU A 56 7.813 3.453 -3.781 1.00 6.91 H new ATOM 0 HA LEU A 56 7.650 3.186 -1.003 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.051 1.732 -3.282 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.088 1.090 -1.652 1.00 6.60 H new ATOM 0 HG LEU A 56 6.485 1.848 -3.032 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.191 -0.563 -3.635 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.582 0.180 -4.459 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.843 -0.886 -3.058 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.396 0.354 -1.558 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.939 0.079 -0.716 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.221 1.707 -0.749 1.00 8.64 H new ATOM 904 N SER A 57 10.723 3.862 -1.907 1.00 8.92 N ATOM 905 CA SER A 57 11.989 4.172 -1.245 1.00 9.00 C ATOM 906 C SER A 57 12.048 5.531 -0.668 1.00 9.44 C ATOM 907 O SER A 57 13.023 5.982 -0.052 1.00 10.91 O ATOM 908 CB SER A 57 13.135 4.110 -2.335 1.00 10.32 C ATOM 909 OG SER A 57 13.003 5.108 -3.342 1.00 13.59 O ATOM 0 H SER A 57 10.713 3.956 -2.923 1.00 8.92 H new ATOM 0 HA SER A 57 12.099 3.451 -0.435 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.102 4.223 -1.844 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.129 3.126 -2.804 1.00 10.32 H new ATOM 0 HG SER A 57 13.737 5.023 -3.985 1.00 13.59 H new ATOM 915 N ASP A 58 10.972 6.313 -0.844 1.00 9.11 N ATOM 916 CA ASP A 58 10.868 7.628 -0.302 1.00 7.91 C ATOM 917 C ASP A 58 10.151 7.615 1.015 1.00 9.12 C ATOM 918 O ASP A 58 9.851 8.609 1.702 1.00 8.61 O ATOM 919 CB ASP A 58 10.144 8.610 -1.355 1.00 8.41 C ATOM 920 CG ASP A 58 10.499 10.034 -1.229 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.048 10.546 -0.179 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.174 10.715 -2.225 1.00 11.70 O ATOM 0 H ASP A 58 10.152 6.023 -1.377 1.00 9.11 H new ATOM 0 HA ASP A 58 11.874 8.006 -0.119 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.389 8.279 -2.364 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.065 8.509 -1.239 1.00 8.41 H new ATOM 927 N TYR A 59 9.882 6.409 1.494 1.00 7.97 N ATOM 928 CA TYR A 59 9.283 6.088 2.775 1.00 8.45 C ATOM 929 C TYR A 59 10.134 5.112 3.568 1.00 10.98 C ATOM 930 O TYR A 59 9.728 4.616 4.602 1.00 12.95 O ATOM 931 CB TYR A 59 7.885 5.507 2.588 1.00 7.94 C ATOM 932 CG TYR A 59 6.875 6.558 2.233 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.466 7.599 3.159 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.251 6.553 1.006 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.570 8.564 2.817 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.305 7.498 0.611 1.00 6.52 C ATOM 937 CZ TYR A 59 4.998 8.541 1.530 1.00 6.76 C ATOM 938 OH TYR A 59 4.205 9.641 1.085 1.00 7.63 O ATOM 0 H TYR A 59 10.094 5.569 0.955 1.00 7.97 H new ATOM 0 HA TYR A 59 9.217 7.020 3.337 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.910 4.751 1.804 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.577 5.005 3.505 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.888 7.608 4.153 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.510 5.771 0.308 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.301 9.337 3.522 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.824 7.441 -0.354 1.00 6.52 H new ATOM 0 HH TYR A 59 4.690 10.478 1.240 1.00 7.63 H new ATOM 948 N ASN A 60 11.408 4.820 3.176 1.00 12.38 N ATOM 949 CA ASN A 60 12.208 3.724 3.725 1.00 13.94 C ATOM 950 C ASN A 60 11.568 2.344 3.782 1.00 14.16 C ATOM 951 O ASN A 60 11.587 1.626 4.772 1.00 14.26 O ATOM 952 CB ASN A 60 12.825 4.154 5.036 1.00 19.23 C ATOM 953 CG ASN A 60 14.052 3.316 5.452 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.988 2.644 6.482 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.110 3.279 4.569 1.00 24.09 N ATOM 0 H ASN A 60 11.899 5.356 2.460 1.00 12.38 H new ATOM 0 HA ASN A 60 12.988 3.547 2.985 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.120 5.201 4.962 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.070 4.090 5.820 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.905 2.667 4.751 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.097 3.864 3.733 1.00 24.09 H new ATOM 962 N ILE A 61 10.822 1.932 2.742 1.00 11.08 N ATOM 963 CA ILE A 61 10.170 0.637 2.603 1.00 11.78 C ATOM 964 C ILE A 61 11.145 -0.325 1.906 1.00 13.74 C ATOM 965 O ILE A 61 11.597 -0.133 0.805 1.00 14.60 O ATOM 966 CB ILE A 61 8.803 0.725 1.930 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.859 1.501 2.916 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.207 -0.643 1.751 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.638 2.065 2.292 1.00 11.42 C ATOM 0 H ILE A 61 10.654 2.534 1.936 1.00 11.08 H new ATOM 0 HA ILE A 61 9.939 0.240 3.592 1.00 11.78 H new ATOM 0 HB ILE A 61 8.907 1.209 0.959 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.561 0.826 3.719 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.424 2.313 3.375 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.233 -0.555 1.270 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.866 -1.249 1.129 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.089 -1.119 2.725 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.048 2.582 3.049 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.921 2.769 1.509 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.045 1.259 1.859 1.00 11.42 H new ATOM 981 N GLN A 62 11.402 -1.438 2.641 1.00 13.97 N ATOM 982 CA GLN A 62 12.321 -2.432 2.206 1.00 15.52 C ATOM 983 C GLN A 62 11.640 -3.821 2.051 1.00 13.94 C ATOM 984 O GLN A 62 10.472 -3.948 2.478 1.00 12.15 O ATOM 985 CB GLN A 62 13.543 -2.573 3.199 1.00 19.53 C ATOM 986 CG GLN A 62 14.529 -1.411 3.122 1.00 26.38 C ATOM 987 CD GLN A 62 15.650 -1.574 4.118 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.763 -1.977 3.741 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.415 -1.159 5.414 1.00 32.71 N ATOM 0 H GLN A 62 10.963 -1.638 3.540 1.00 13.97 H new ATOM 0 HA GLN A 62 12.684 -2.101 1.233 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.165 -2.651 4.218 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.071 -3.502 2.983 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.941 -1.348 2.115 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.005 -0.474 3.311 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.487 -0.835 5.685 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.170 -1.177 6.100 1.00 32.71 H new ATOM 998 N LYS A 63 12.373 -4.821 1.497 1.00 11.73 N ATOM 999 CA LYS A 63 12.097 -6.220 1.630 1.00 11.97 C ATOM 1000 C LYS A 63 11.482 -6.655 2.964 1.00 10.41 C ATOM 1001 O LYS A 63 11.857 -6.247 4.083 1.00 9.59 O ATOM 1002 CB LYS A 63 13.365 -7.136 1.348 1.00 13.73 C ATOM 1003 CG LYS A 63 14.588 -6.784 2.192 1.00 16.98 C ATOM 1004 CD LYS A 63 15.783 -7.650 1.901 1.00 20.19 C ATOM 1005 CE LYS A 63 15.695 -9.065 2.520 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.699 -8.962 4.009 1.00 25.97 N ATOM 0 H LYS A 63 13.199 -4.636 0.928 1.00 11.73 H new ATOM 0 HA LYS A 63 11.341 -6.370 0.859 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.097 -8.176 1.532 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.630 -7.057 0.294 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.853 -5.741 2.017 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.331 -6.875 3.247 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.898 -7.743 0.821 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.679 -7.155 2.276 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.787 -9.565 2.183 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.536 -9.672 2.185 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.423 -9.599 4.399 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.912 -7.983 4.289 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.765 -9.232 4.378 1.00 25.97 H new ATOM 1020 N GLU A 64 10.449 -7.516 2.856 1.00 10.04 N ATOM 1021 CA GLU A 64 9.764 -8.231 3.976 1.00 10.94 C ATOM 1022 C GLU A 64 8.924 -7.321 4.819 1.00 9.74 C ATOM 1023 O GLU A 64 8.244 -7.804 5.748 1.00 9.42 O ATOM 1024 CB GLU A 64 10.724 -9.061 4.907 1.00 18.31 C ATOM 1025 CG GLU A 64 11.586 -10.043 4.050 1.00 24.16 C ATOM 1026 CD GLU A 64 12.524 -10.737 4.907 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.124 -11.547 5.752 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.789 -10.594 4.806 1.00 31.72 O ATOM 0 H GLU A 64 10.044 -7.749 1.949 1.00 10.04 H new ATOM 0 HA GLU A 64 9.118 -8.942 3.460 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.374 -8.387 5.466 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.140 -9.620 5.638 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.942 -10.761 3.542 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.122 -9.493 3.277 1.00 24.16 H new ATOM 1035 N SER A 65 8.960 -5.979 4.584 1.00 6.85 N ATOM 1036 CA SER A 65 8.122 -5.006 5.285 1.00 6.90 C ATOM 1037 C SER A 65 6.582 -5.084 5.142 1.00 4.72 C ATOM 1038 O SER A 65 6.070 -5.316 4.042 1.00 3.91 O ATOM 1039 CB SER A 65 8.533 -3.544 5.269 1.00 7.28 C ATOM 1040 OG SER A 65 9.929 -3.382 5.606 1.00 10.56 O ATOM 0 H SER A 65 9.581 -5.555 3.895 1.00 6.85 H new ATOM 0 HA SER A 65 8.375 -5.420 6.261 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.345 -3.123 4.281 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.920 -2.985 5.976 1.00 7.28 H new ATOM 0 HG SER A 65 10.476 -3.501 4.801 1.00 10.56 H new ATOM 1046 N THR A 66 5.908 -4.907 6.257 1.00 4.48 N ATOM 1047 CA THR A 66 4.430 -4.924 6.238 1.00 3.80 C ATOM 1048 C THR A 66 3.779 -3.548 6.201 1.00 4.60 C ATOM 1049 O THR A 66 4.108 -2.692 6.984 1.00 5.33 O ATOM 1050 CB THR A 66 3.968 -5.568 7.534 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.601 -6.855 7.622 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.459 -5.708 7.587 1.00 3.40 C ATOM 0 H THR A 66 6.329 -4.752 7.173 1.00 4.48 H new ATOM 0 HA THR A 66 4.141 -5.454 5.330 1.00 3.80 H new ATOM 0 HB THR A 66 4.248 -4.938 8.379 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.325 -7.299 8.451 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.170 -6.173 8.529 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.999 -4.723 7.512 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.122 -6.329 6.757 1.00 3.40 H new ATOM 1060 N LEU A 67 2.772 -3.348 5.290 1.00 4.17 N ATOM 1061 CA LEU A 67 1.987 -2.139 5.091 1.00 3.85 C ATOM 1062 C LEU A 67 0.671 -2.406 5.585 1.00 3.80 C ATOM 1063 O LEU A 67 0.134 -3.493 5.392 1.00 5.54 O ATOM 1064 CB LEU A 67 1.898 -1.787 3.590 1.00 7.18 C ATOM 1065 CG LEU A 67 2.906 -0.838 3.051 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.349 -1.357 3.271 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.570 -0.562 1.560 1.00 11.66 C ATOM 0 H LEU A 67 2.490 -4.089 4.648 1.00 4.17 H new ATOM 0 HA LEU A 67 2.452 -1.301 5.611 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.970 -2.714 3.021 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.908 -1.372 3.399 1.00 7.18 H new ATOM 0 HG LEU A 67 2.863 0.107 3.592 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.060 -0.638 2.865 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.531 -1.484 4.338 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.472 -2.315 2.765 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.300 0.134 1.145 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.602 -1.497 1.001 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.573 -0.129 1.486 1.00 11.66 H new ATOM 1079 N HIS A 68 0.068 -1.366 6.176 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.292 -1.408 6.578 1.00 4.17 C ATOM 1081 C HIS A 68 -2.219 -0.914 5.559 1.00 5.32 C ATOM 1082 O HIS A 68 -1.929 0.104 4.877 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.477 -0.508 7.856 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.596 -0.888 9.063 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.774 -0.869 9.045 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.972 -1.413 10.238 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.248 -1.369 10.207 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.196 -1.714 10.985 1.00 16.30 N ATOM 0 H HIS A 68 0.535 -0.482 6.377 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.524 -2.456 6.765 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.267 0.527 7.585 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.522 -0.551 8.162 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.348 -0.530 8.273 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.989 -1.578 10.560 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.290 -1.475 10.470 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.437 -1.538 5.419 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.414 -1.072 4.479 1.00 3.97 C ATOM 1098 C LEU A 69 -5.628 -0.721 5.277 1.00 5.07 C ATOM 1099 O LEU A 69 -6.086 -1.458 6.177 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.692 -2.239 3.475 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.719 -2.014 2.387 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.355 -0.760 1.585 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.898 -3.273 1.454 1.00 9.96 C ATOM 0 H LEU A 69 -3.725 -2.354 5.958 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.093 -0.201 3.908 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.748 -2.497 2.994 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.004 -3.109 4.053 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.687 -1.859 2.864 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.097 -0.601 0.802 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.337 0.104 2.249 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.372 -0.890 1.132 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.646 -3.057 0.691 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.948 -3.508 0.974 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.224 -4.125 2.051 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.160 0.489 4.945 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.422 0.962 5.481 1.00 6.26 C ATOM 1117 C VAL A 70 -8.244 1.330 4.273 1.00 9.22 C ATOM 1118 O VAL A 70 -7.663 1.741 3.254 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.323 2.179 6.415 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.664 2.536 7.226 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.099 1.861 7.320 1.00 8.54 C ATOM 0 H VAL A 70 -5.713 1.142 4.302 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.852 0.178 6.104 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.190 3.099 5.846 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.488 3.409 7.855 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.468 2.752 6.522 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.947 1.690 7.852 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.946 2.678 8.026 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.282 0.937 7.868 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.209 1.745 6.701 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.540 1.111 4.262 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.308 1.518 3.131 1.00 16.06 C ATOM 1133 C LEU A 71 -11.086 2.809 3.383 1.00 18.09 C ATOM 1134 O LEU A 71 -11.387 3.204 4.501 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.308 0.528 2.692 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.601 -0.819 2.389 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.657 -1.791 1.837 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.527 -0.687 1.336 1.00 19.57 C ATOM 0 H LEU A 71 -10.066 0.662 5.012 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.549 1.649 2.360 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.063 0.389 3.466 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.826 0.888 1.803 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.138 -1.166 3.313 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.188 -2.749 1.614 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.442 -1.935 2.579 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.090 -1.378 0.926 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.065 -1.659 1.163 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.970 -0.326 0.408 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.769 0.019 1.676 1.00 19.57 H new