USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 Single : A 1 MET CE :methyl -162:sc= -0.198 (180deg=-0.474) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.3 (180deg=2.25) USER MOD Single : A 2 GLN : amide:sc= -0.0156 K(o=-0.016,f=-0.52) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0616 USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 0.946 (180deg=-0.2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0208 K(o=-0.021,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 2.05 (180deg=1.88) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.00129 (180deg=-0.00167) USER MOD Single : A 31 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 41 GLN : amide:sc= 0.914 K(o=0.91,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= -0.0845 (180deg=-0.829) USER MOD Single : A 49 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.0062) USER MOD Single : A 55 THR OG1 : rot -160:sc= 0.418 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.09 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 78:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.324 -7.351 -4.975 1.00 9.67 N ATOM 2 CA MET A 1 11.340 -7.771 -3.577 1.00 10.38 C ATOM 3 C MET A 1 9.928 -8.042 -3.049 1.00 9.62 C ATOM 4 O MET A 1 8.887 -7.619 -3.629 1.00 9.62 O ATOM 5 CB MET A 1 12.035 -6.774 -2.640 1.00 13.77 C ATOM 6 CG MET A 1 11.298 -5.349 -2.601 1.00 16.29 C ATOM 7 SD MET A 1 12.270 -4.169 -1.676 1.00 17.17 S ATOM 8 CE MET A 1 11.371 -2.816 -2.346 1.00 16.11 C ATOM 0 H1 MET A 1 12.292 -7.128 -5.282 1.00 9.67 H new ATOM 0 H2 MET A 1 10.942 -8.119 -5.564 1.00 9.67 H new ATOM 0 H3 MET A 1 10.726 -6.507 -5.077 1.00 9.67 H new ATOM 0 HA MET A 1 11.922 -8.693 -3.574 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.068 -7.190 -1.633 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.067 -6.637 -2.962 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.143 -4.985 -3.617 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.313 -5.454 -2.146 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.940 -1.897 -2.207 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.204 -2.982 -3.410 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.411 -2.729 -1.837 1.00 16.11 H new ATOM 20 N GLN A 2 9.836 -8.751 -1.905 1.00 9.27 N ATOM 21 CA GLN A 2 8.589 -9.030 -1.270 1.00 9.07 C ATOM 22 C GLN A 2 8.228 -7.906 -0.322 1.00 8.72 C ATOM 23 O GLN A 2 9.063 -7.422 0.408 1.00 8.22 O ATOM 24 CB GLN A 2 8.758 -10.407 -0.486 1.00 14.46 C ATOM 25 CG GLN A 2 7.415 -11.046 -0.034 1.00 17.01 C ATOM 26 CD GLN A 2 7.532 -12.563 0.202 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.818 -13.425 -0.272 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.489 -12.835 1.120 1.00 19.49 N ATOM 0 H GLN A 2 10.644 -9.135 -1.416 1.00 9.27 H new ATOM 0 HA GLN A 2 7.784 -9.110 -2.001 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.288 -11.114 -1.124 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.382 -10.239 0.392 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.078 -10.564 0.884 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.654 -10.857 -0.791 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.067 -12.082 1.493 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.632 -13.793 1.439 1.00 19.49 H new ATOM 37 N ILE A 3 6.900 -7.618 -0.201 1.00 5.87 N ATOM 38 CA ILE A 3 6.395 -6.964 0.983 1.00 5.07 C ATOM 39 C ILE A 3 5.045 -7.509 1.368 1.00 4.01 C ATOM 40 O ILE A 3 4.436 -8.200 0.572 1.00 4.61 O ATOM 41 CB ILE A 3 6.195 -5.500 0.831 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.279 -5.067 -0.358 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.527 -4.848 0.848 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.949 -3.561 -0.454 1.00 10.83 C ATOM 0 H ILE A 3 6.196 -7.833 -0.906 1.00 5.87 H new ATOM 0 HA ILE A 3 7.162 -7.156 1.733 1.00 5.07 H new ATOM 0 HB ILE A 3 5.609 -5.147 1.680 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.758 -5.372 -1.288 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.342 -5.619 -0.286 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.406 -3.770 0.738 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.025 -5.062 1.794 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.130 -5.231 0.025 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.308 -3.383 -1.317 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.434 -3.243 0.452 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.872 -2.993 -0.565 1.00 10.83 H new ATOM 56 N PHE A 4 4.615 -7.298 2.625 1.00 4.55 N ATOM 57 CA PHE A 4 3.422 -7.885 3.290 1.00 4.68 C ATOM 58 C PHE A 4 2.450 -6.799 3.647 1.00 5.30 C ATOM 59 O PHE A 4 2.819 -5.913 4.393 1.00 5.58 O ATOM 60 CB PHE A 4 3.754 -8.689 4.581 1.00 4.83 C ATOM 61 CG PHE A 4 4.696 -9.761 4.209 1.00 7.97 C ATOM 62 CD1 PHE A 4 6.064 -9.596 4.260 1.00 8.34 C ATOM 63 CD2 PHE A 4 4.154 -11.007 3.891 1.00 6.69 C ATOM 64 CE1 PHE A 4 6.917 -10.741 4.005 1.00 10.61 C ATOM 65 CE2 PHE A 4 4.981 -12.093 3.662 1.00 9.10 C ATOM 66 CZ PHE A 4 6.350 -11.969 3.719 1.00 8.90 C ATOM 0 H PHE A 4 5.121 -6.672 3.251 1.00 4.55 H new ATOM 0 HA PHE A 4 2.995 -8.584 2.571 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.194 -8.037 5.335 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.847 -9.110 5.014 1.00 4.83 H new ATOM 0 HD1 PHE A 4 6.493 -8.631 4.486 1.00 8.34 H new ATOM 0 HD2 PHE A 4 3.083 -11.125 3.823 1.00 6.69 H new ATOM 0 HE1 PHE A 4 7.991 -10.635 4.038 1.00 10.61 H new ATOM 0 HE2 PHE A 4 4.544 -13.054 3.435 1.00 9.10 H new ATOM 0 HZ PHE A 4 6.980 -12.828 3.541 1.00 8.90 H new ATOM 76 N VAL A 5 1.275 -6.819 3.011 1.00 4.44 N ATOM 77 CA VAL A 5 0.261 -5.813 3.380 1.00 3.87 C ATOM 78 C VAL A 5 -0.904 -6.420 4.117 1.00 4.93 C ATOM 79 O VAL A 5 -1.511 -7.396 3.669 1.00 6.84 O ATOM 80 CB VAL A 5 -0.317 -5.049 2.100 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.141 -3.758 2.488 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.790 -4.921 1.078 1.00 9.13 C ATOM 0 H VAL A 5 1.006 -7.477 2.279 1.00 4.44 H new ATOM 0 HA VAL A 5 0.780 -5.109 4.031 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.094 -5.625 1.597 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.511 -3.277 1.583 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.984 -4.040 3.119 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.498 -3.065 3.030 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.413 -4.402 0.197 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.617 -4.355 1.507 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.138 -5.914 0.793 1.00 9.13 H new ATOM 92 N LYS A 6 -1.244 -5.875 5.291 1.00 6.04 N ATOM 93 CA LYS A 6 -2.070 -6.533 6.275 1.00 6.12 C ATOM 94 C LYS A 6 -3.392 -5.741 6.430 1.00 6.57 C ATOM 95 O LYS A 6 -3.353 -4.471 6.547 1.00 5.76 O ATOM 96 CB LYS A 6 -1.288 -6.699 7.618 1.00 7.45 C ATOM 97 CG LYS A 6 -0.336 -7.910 7.585 1.00 11.12 C ATOM 98 CD LYS A 6 -0.109 -8.530 8.955 1.00 14.54 C ATOM 99 CE LYS A 6 0.941 -9.666 9.032 1.00 18.84 C ATOM 100 NZ LYS A 6 1.020 -10.201 10.350 1.00 20.55 N ATOM 0 H LYS A 6 -0.939 -4.944 5.577 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.327 -7.541 5.950 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.716 -5.793 7.819 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.996 -6.817 8.438 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.743 -8.666 6.914 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.623 -7.599 7.170 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.192 -7.739 9.642 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.061 -8.920 9.315 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.678 -10.457 8.330 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.917 -9.285 8.732 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.730 -10.960 10.375 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.294 -9.449 11.014 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.093 -10.585 10.625 1.00 20.55 H new ATOM 114 N THR A 7 -4.509 -6.413 6.323 1.00 7.41 N ATOM 115 CA THR A 7 -5.825 -5.771 6.267 1.00 7.48 C ATOM 116 C THR A 7 -6.530 -5.700 7.621 1.00 8.75 C ATOM 117 O THR A 7 -6.300 -6.553 8.472 1.00 8.58 O ATOM 118 CB THR A 7 -6.804 -6.459 5.255 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.265 -7.716 5.670 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.020 -6.673 3.934 1.00 9.17 C ATOM 0 H THR A 7 -4.546 -7.431 6.271 1.00 7.41 H new ATOM 0 HA THR A 7 -5.596 -4.761 5.928 1.00 7.48 H new ATOM 0 HB THR A 7 -7.675 -5.811 5.157 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.870 -8.083 4.992 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.668 -7.152 3.200 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.685 -5.710 3.549 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.155 -7.308 4.123 1.00 9.17 H new ATOM 128 N LEU A 8 -7.487 -4.768 7.774 1.00 9.84 N ATOM 129 CA LEU A 8 -8.189 -4.604 9.061 1.00 14.15 C ATOM 130 C LEU A 8 -8.838 -5.864 9.590 1.00 17.37 C ATOM 131 O LEU A 8 -8.686 -6.180 10.775 1.00 17.01 O ATOM 132 CB LEU A 8 -9.208 -3.505 8.875 1.00 16.63 C ATOM 133 CG LEU A 8 -9.876 -3.077 10.164 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.879 -2.397 11.086 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.136 -2.213 9.903 1.00 18.59 C ATOM 0 H LEU A 8 -7.788 -4.128 7.039 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.450 -4.349 9.821 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.721 -2.641 8.423 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.971 -3.843 8.174 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.229 -3.972 10.676 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.380 -2.097 12.006 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.071 -3.089 11.322 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.470 -1.516 10.593 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.585 -1.927 10.854 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.854 -1.316 9.351 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.856 -2.787 9.320 1.00 18.59 H new ATOM 147 N THR A 9 -9.504 -6.686 8.732 1.00 18.33 N ATOM 148 CA THR A 9 -10.366 -7.810 9.171 1.00 19.24 C ATOM 149 C THR A 9 -9.668 -9.146 9.145 1.00 19.48 C ATOM 150 O THR A 9 -10.277 -10.219 9.322 1.00 23.14 O ATOM 151 CB THR A 9 -11.549 -7.808 8.235 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.141 -7.702 6.909 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.354 -6.540 8.571 1.00 19.70 C ATOM 0 H THR A 9 -9.456 -6.584 7.718 1.00 18.33 H new ATOM 0 HA THR A 9 -10.656 -7.668 10.212 1.00 19.24 H new ATOM 0 HB THR A 9 -12.118 -8.730 8.352 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.927 -7.705 6.324 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.228 -6.482 7.923 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.676 -6.578 9.612 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.729 -5.661 8.417 1.00 19.70 H new ATOM 161 N GLY A 10 -8.330 -9.154 8.974 1.00 19.43 N ATOM 162 CA GLY A 10 -7.535 -10.388 8.988 1.00 18.74 C ATOM 163 C GLY A 10 -7.296 -10.938 7.636 1.00 17.62 C ATOM 164 O GLY A 10 -7.907 -11.926 7.235 1.00 19.74 O ATOM 0 H GLY A 10 -7.778 -8.309 8.824 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.577 -10.191 9.468 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.047 -11.136 9.593 1.00 18.74 H new ATOM 168 N LYS A 11 -6.340 -10.331 6.909 1.00 13.56 N ATOM 169 CA LYS A 11 -5.733 -10.952 5.727 1.00 11.91 C ATOM 170 C LYS A 11 -4.415 -10.334 5.575 1.00 10.18 C ATOM 171 O LYS A 11 -4.193 -9.174 5.983 1.00 9.10 O ATOM 172 CB LYS A 11 -6.533 -10.722 4.370 1.00 13.43 C ATOM 173 CG LYS A 11 -6.072 -11.662 3.243 1.00 16.69 C ATOM 174 CD LYS A 11 -6.934 -11.640 1.992 1.00 17.92 C ATOM 175 CE LYS A 11 -7.089 -12.916 1.170 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.934 -12.679 -0.034 1.00 21.93 N ATOM 0 H LYS A 11 -5.972 -9.405 7.125 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.716 -12.030 5.891 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.597 -10.872 4.550 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.407 -9.688 4.049 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.051 -11.399 2.967 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.045 -12.681 3.629 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.932 -11.317 2.288 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.533 -10.871 1.331 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.107 -13.276 0.864 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.537 -13.696 1.785 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.344 -13.580 -0.353 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.698 -12.015 0.204 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.350 -12.276 -0.794 1.00 21.93 H new ATOM 190 N THR A 12 -3.494 -11.074 4.980 1.00 9.63 N ATOM 191 CA THR A 12 -2.166 -10.592 4.535 1.00 9.85 C ATOM 192 C THR A 12 -1.999 -10.780 3.118 1.00 11.66 C ATOM 193 O THR A 12 -2.023 -11.909 2.584 1.00 12.33 O ATOM 194 CB THR A 12 -0.993 -11.379 5.203 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.188 -11.387 6.566 1.00 10.91 O ATOM 196 CG2 THR A 12 0.317 -10.683 4.924 1.00 9.63 C ATOM 0 H THR A 12 -3.641 -12.063 4.780 1.00 9.63 H new ATOM 0 HA THR A 12 -2.133 -9.539 4.816 1.00 9.85 H new ATOM 0 HB THR A 12 -0.967 -12.393 4.804 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.459 -11.880 6.998 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.130 -11.237 5.393 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.482 -10.637 3.848 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.286 -9.672 5.330 1.00 9.63 H new ATOM 204 N ILE A 13 -1.801 -9.679 2.386 1.00 10.42 N ATOM 205 CA ILE A 13 -1.726 -9.535 0.978 1.00 11.84 C ATOM 206 C ILE A 13 -0.169 -9.537 0.671 1.00 10.55 C ATOM 207 O ILE A 13 0.553 -8.613 1.026 1.00 11.92 O ATOM 208 CB ILE A 13 -2.396 -8.303 0.364 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.859 -8.164 0.945 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.332 -8.386 -1.120 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.392 -6.853 0.453 1.00 16.46 C ATOM 0 H ILE A 13 -1.679 -8.777 2.847 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.292 -10.345 0.518 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.869 -7.388 0.635 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.489 -8.988 0.610 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.848 -8.193 2.035 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.810 -7.508 -1.554 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.290 -8.427 -1.438 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.849 -9.284 -1.457 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.405 -6.708 0.828 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.754 -6.044 0.809 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.405 -6.852 -0.637 1.00 16.46 H new ATOM 223 N THR A 14 0.425 -10.591 0.013 1.00 9.39 N ATOM 224 CA THR A 14 1.880 -10.747 -0.426 1.00 9.63 C ATOM 225 C THR A 14 2.088 -10.207 -1.780 1.00 11.20 C ATOM 226 O THR A 14 1.624 -10.710 -2.795 1.00 11.63 O ATOM 227 CB THR A 14 2.278 -12.221 -0.516 1.00 10.38 C ATOM 228 OG1 THR A 14 2.059 -12.705 0.811 1.00 16.30 O ATOM 229 CG2 THR A 14 3.775 -12.447 -0.663 1.00 11.66 C ATOM 0 H THR A 14 -0.125 -11.410 -0.246 1.00 9.39 H new ATOM 0 HA THR A 14 2.473 -10.214 0.318 1.00 9.63 H new ATOM 0 HB THR A 14 1.742 -12.669 -1.353 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.288 -13.657 0.854 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.978 -13.516 -0.720 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.129 -11.961 -1.573 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.293 -12.025 0.198 1.00 11.66 H new ATOM 237 N LEU A 15 2.799 -9.066 -1.817 1.00 8.29 N ATOM 238 CA LEU A 15 3.107 -8.315 -3.030 1.00 9.03 C ATOM 239 C LEU A 15 4.567 -8.387 -3.463 1.00 8.59 C ATOM 240 O LEU A 15 5.479 -8.640 -2.661 1.00 7.79 O ATOM 241 CB LEU A 15 2.736 -6.823 -3.083 1.00 11.08 C ATOM 242 CG LEU A 15 1.269 -6.435 -2.857 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.049 -4.908 -2.996 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.221 -7.144 -3.794 1.00 15.27 C ATOM 0 H LEU A 15 3.182 -8.635 -0.976 1.00 8.29 H new ATOM 0 HA LEU A 15 2.441 -8.853 -3.705 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.337 -6.303 -2.337 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.036 -6.439 -4.058 1.00 11.08 H new ATOM 0 HG LEU A 15 1.087 -6.781 -1.839 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.003 -4.675 -2.829 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.658 -4.384 -2.260 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.336 -4.589 -3.998 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.782 -6.796 -3.547 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.442 -6.905 -4.834 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.276 -8.223 -3.650 1.00 15.27 H new ATOM 256 N GLU A 16 4.789 -8.141 -4.749 1.00 11.04 N ATOM 257 CA GLU A 16 6.095 -7.959 -5.387 1.00 11.50 C ATOM 258 C GLU A 16 6.290 -6.515 -5.868 1.00 10.13 C ATOM 259 O GLU A 16 5.534 -5.954 -6.620 1.00 9.83 O ATOM 260 CB GLU A 16 6.252 -8.903 -6.561 1.00 17.22 C ATOM 261 CG GLU A 16 7.591 -8.900 -7.305 1.00 23.33 C ATOM 262 CD GLU A 16 8.732 -9.467 -6.531 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.373 -10.409 -5.744 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.875 -9.004 -6.686 1.00 28.86 O ATOM 0 H GLU A 16 4.021 -8.058 -5.415 1.00 11.04 H new ATOM 0 HA GLU A 16 6.854 -8.181 -4.637 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.070 -9.916 -6.203 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.467 -8.674 -7.282 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.479 -9.466 -8.230 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.833 -7.875 -7.586 1.00 23.33 H new ATOM 271 N VAL A 17 7.324 -5.875 -5.393 1.00 8.99 N ATOM 272 CA VAL A 17 7.468 -4.484 -5.645 1.00 8.85 C ATOM 273 C VAL A 17 8.879 -4.309 -6.041 1.00 8.04 C ATOM 274 O VAL A 17 9.817 -5.038 -5.671 1.00 8.99 O ATOM 275 CB VAL A 17 7.063 -3.519 -4.544 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.576 -3.266 -4.444 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.763 -3.860 -3.184 1.00 10.54 C ATOM 0 H VAL A 17 8.067 -6.297 -4.836 1.00 8.99 H new ATOM 0 HA VAL A 17 6.751 -4.209 -6.418 1.00 8.85 H new ATOM 0 HB VAL A 17 7.448 -2.544 -4.842 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.380 -2.566 -3.632 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.215 -2.844 -5.382 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.060 -4.205 -4.246 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.447 -3.147 -2.423 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.485 -4.868 -2.874 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.845 -3.803 -3.307 1.00 10.54 H new ATOM 287 N GLU A 18 9.053 -3.215 -6.806 1.00 7.29 N ATOM 288 CA GLU A 18 10.352 -2.707 -7.009 1.00 7.08 C ATOM 289 C GLU A 18 10.549 -1.408 -6.318 1.00 6.45 C ATOM 290 O GLU A 18 9.533 -0.761 -6.051 1.00 5.28 O ATOM 291 CB GLU A 18 10.468 -2.499 -8.522 1.00 10.28 C ATOM 292 CG GLU A 18 10.329 -3.811 -9.323 1.00 12.65 C ATOM 293 CD GLU A 18 10.228 -3.707 -10.867 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.220 -3.598 -11.609 1.00 14.33 O ATOM 295 OE2 GLU A 18 9.071 -3.654 -11.410 1.00 18.17 O ATOM 0 H GLU A 18 8.305 -2.700 -7.270 1.00 7.29 H new ATOM 0 HA GLU A 18 11.102 -3.391 -6.611 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.699 -1.798 -8.847 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.432 -2.042 -8.748 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.186 -4.441 -9.085 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.441 -4.331 -8.963 1.00 12.65 H new ATOM 302 N PRO A 19 11.730 -0.806 -6.046 1.00 7.24 N ATOM 303 CA PRO A 19 11.986 0.432 -5.266 1.00 7.07 C ATOM 304 C PRO A 19 11.411 1.651 -5.930 1.00 6.65 C ATOM 305 O PRO A 19 11.111 2.619 -5.229 1.00 6.37 O ATOM 306 CB PRO A 19 13.495 0.531 -5.149 1.00 7.61 C ATOM 307 CG PRO A 19 13.937 -0.926 -5.184 1.00 8.16 C ATOM 308 CD PRO A 19 12.925 -1.637 -6.077 1.00 7.49 C ATOM 0 HA PRO A 19 11.503 0.385 -4.290 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.927 1.104 -5.970 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.797 1.022 -4.224 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.947 -1.020 -5.583 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.948 -1.357 -4.183 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.304 -1.742 -7.094 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.715 -2.641 -5.710 1.00 7.49 H new ATOM 316 N SER A 20 11.319 1.727 -7.245 1.00 6.80 N ATOM 317 CA SER A 20 10.754 2.815 -7.978 1.00 6.28 C ATOM 318 C SER A 20 9.271 2.686 -8.269 1.00 8.45 C ATOM 319 O SER A 20 8.742 3.581 -8.951 1.00 7.26 O ATOM 320 CB SER A 20 11.482 3.019 -9.307 1.00 8.57 C ATOM 321 OG SER A 20 11.582 1.854 -10.117 1.00 11.13 O ATOM 0 H SER A 20 11.660 0.982 -7.853 1.00 6.80 H new ATOM 0 HA SER A 20 10.882 3.674 -7.319 1.00 6.28 H new ATOM 0 HB2 SER A 20 10.966 3.795 -9.873 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.486 3.389 -9.102 1.00 8.57 H new ATOM 0 HG SER A 20 12.058 2.072 -10.946 1.00 11.13 H new ATOM 327 N ASP A 21 8.505 1.690 -7.704 1.00 7.50 N ATOM 328 CA ASP A 21 7.057 1.802 -7.709 1.00 7.70 C ATOM 329 C ASP A 21 6.514 2.854 -6.806 1.00 7.08 C ATOM 330 O ASP A 21 7.031 3.086 -5.725 1.00 8.11 O ATOM 331 CB ASP A 21 6.406 0.415 -7.414 1.00 11.00 C ATOM 332 CG ASP A 21 6.574 -0.608 -8.495 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.156 -0.370 -9.688 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.022 -1.749 -8.171 1.00 14.36 O ATOM 0 H ASP A 21 8.875 0.847 -7.265 1.00 7.50 H new ATOM 0 HA ASP A 21 6.787 2.128 -8.713 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.832 0.020 -6.492 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.341 0.561 -7.236 1.00 11.00 H new ATOM 339 N THR A 22 5.521 3.611 -7.324 1.00 5.37 N ATOM 340 CA THR A 22 4.834 4.593 -6.509 1.00 6.01 C ATOM 341 C THR A 22 3.693 3.976 -5.687 1.00 8.01 C ATOM 342 O THR A 22 3.197 2.904 -5.992 1.00 8.11 O ATOM 343 CB THR A 22 4.247 5.779 -7.246 1.00 8.92 C ATOM 344 OG1 THR A 22 3.392 5.424 -8.351 1.00 10.22 O ATOM 345 CG2 THR A 22 5.342 6.702 -7.792 1.00 9.65 C ATOM 0 H THR A 22 5.194 3.551 -8.288 1.00 5.37 H new ATOM 0 HA THR A 22 5.643 4.958 -5.876 1.00 6.01 H new ATOM 0 HB THR A 22 3.644 6.285 -6.492 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.050 6.239 -8.775 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.883 7.541 -8.314 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.948 7.076 -6.967 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.975 6.146 -8.484 1.00 9.65 H new ATOM 353 N ILE A 23 3.364 4.671 -4.608 1.00 8.32 N ATOM 354 CA ILE A 23 2.330 4.249 -3.682 1.00 9.92 C ATOM 355 C ILE A 23 0.934 3.961 -4.305 1.00 10.01 C ATOM 356 O ILE A 23 0.197 3.042 -3.915 1.00 8.71 O ATOM 357 CB ILE A 23 2.086 5.304 -2.625 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.370 5.566 -1.797 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.886 4.989 -1.686 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.980 4.304 -1.141 1.00 12.30 C ATOM 0 H ILE A 23 3.812 5.550 -4.351 1.00 8.32 H new ATOM 0 HA ILE A 23 2.732 3.316 -3.287 1.00 9.92 H new ATOM 0 HB ILE A 23 1.816 6.209 -3.169 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.119 6.021 -2.446 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.142 6.292 -1.016 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.775 5.791 -0.956 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.026 4.907 -2.277 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.068 4.048 -1.167 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.874 4.580 -0.582 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.252 3.858 -0.463 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.244 3.583 -1.915 1.00 12.30 H new ATOM 372 N GLU A 24 0.573 4.755 -5.308 1.00 9.54 N ATOM 373 CA GLU A 24 -0.616 4.648 -6.112 1.00 11.81 C ATOM 374 C GLU A 24 -0.604 3.320 -6.890 1.00 11.14 C ATOM 375 O GLU A 24 -1.575 2.599 -6.981 1.00 10.62 O ATOM 376 CB GLU A 24 -0.579 5.862 -7.078 1.00 19.24 C ATOM 377 CG GLU A 24 -1.747 5.769 -8.069 1.00 27.76 C ATOM 378 CD GLU A 24 -1.908 7.059 -8.929 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.053 8.213 -8.417 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.870 6.928 -10.170 1.00 36.51 O ATOM 0 H GLU A 24 1.154 5.544 -5.592 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.524 4.655 -5.509 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.642 6.791 -6.512 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.368 5.881 -7.618 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.592 4.915 -8.728 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.671 5.585 -7.520 1.00 27.76 H new ATOM 387 N ASN A 25 0.605 2.911 -7.379 1.00 9.43 N ATOM 388 CA ASN A 25 0.895 1.757 -8.210 1.00 10.96 C ATOM 389 C ASN A 25 1.041 0.473 -7.398 1.00 9.68 C ATOM 390 O ASN A 25 0.703 -0.584 -7.881 1.00 9.33 O ATOM 391 CB ASN A 25 2.212 1.889 -9.092 1.00 16.78 C ATOM 392 CG ASN A 25 1.958 2.783 -10.280 1.00 22.31 C ATOM 393 OD1 ASN A 25 0.982 3.551 -10.178 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.861 2.881 -11.253 1.00 24.70 N ATOM 0 H ASN A 25 1.453 3.439 -7.171 1.00 9.43 H new ATOM 0 HA ASN A 25 0.028 1.713 -8.869 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.023 2.296 -8.488 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.531 0.904 -9.431 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.772 3.611 -11.960 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.642 2.226 -11.291 1.00 24.70 H new ATOM 401 N VAL A 26 1.399 0.561 -6.109 1.00 6.52 N ATOM 402 CA VAL A 26 1.415 -0.435 -5.049 1.00 5.53 C ATOM 403 C VAL A 26 -0.015 -0.814 -4.719 1.00 4.42 C ATOM 404 O VAL A 26 -0.392 -1.982 -4.540 1.00 3.40 O ATOM 405 CB VAL A 26 2.267 -0.134 -3.829 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.330 -1.265 -2.824 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.723 0.128 -4.246 1.00 8.12 C ATOM 0 H VAL A 26 1.726 1.457 -5.747 1.00 6.52 H new ATOM 0 HA VAL A 26 1.950 -1.297 -5.447 1.00 5.53 H new ATOM 0 HB VAL A 26 1.789 0.731 -3.370 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.958 -0.970 -1.983 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.325 -1.490 -2.466 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.752 -2.151 -3.299 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.322 0.342 -3.361 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.122 -0.753 -4.749 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.759 0.981 -4.924 1.00 8.12 H new ATOM 417 N LYS A 27 -0.824 0.206 -4.590 1.00 2.64 N ATOM 418 CA LYS A 27 -2.271 0.018 -4.440 1.00 4.14 C ATOM 419 C LYS A 27 -2.968 -0.670 -5.682 1.00 5.58 C ATOM 420 O LYS A 27 -3.871 -1.480 -5.530 1.00 4.11 O ATOM 421 CB LYS A 27 -3.013 1.328 -4.138 1.00 3.97 C ATOM 422 CG LYS A 27 -2.631 1.849 -2.703 1.00 7.45 C ATOM 423 CD LYS A 27 -3.301 3.123 -2.270 1.00 9.02 C ATOM 424 CE LYS A 27 -3.362 4.217 -3.347 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.042 5.384 -2.745 1.00 15.47 N ATOM 0 H LYS A 27 -0.520 1.180 -4.584 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.348 -0.656 -3.587 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.759 2.079 -4.886 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.089 1.168 -4.200 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.870 1.070 -1.979 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.552 1.998 -2.666 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.317 2.892 -1.949 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.774 3.517 -1.401 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.360 4.485 -3.680 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.906 3.864 -4.223 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.194 6.111 -3.473 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.959 5.088 -2.354 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.451 5.775 -1.984 1.00 15.47 H new ATOM 439 N ALA A 28 -2.527 -0.396 -6.942 1.00 6.61 N ATOM 440 CA ALA A 28 -2.854 -1.107 -8.149 1.00 7.74 C ATOM 441 C ALA A 28 -2.472 -2.561 -8.083 1.00 9.17 C ATOM 442 O ALA A 28 -3.183 -3.390 -8.612 1.00 11.45 O ATOM 443 CB ALA A 28 -2.130 -0.434 -9.320 1.00 7.68 C ATOM 0 H ALA A 28 -1.894 0.384 -7.121 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.935 -1.070 -8.284 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.366 -0.960 -10.245 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.454 0.604 -9.400 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.054 -0.466 -9.149 1.00 7.68 H new ATOM 449 N LYS A 29 -1.387 -2.932 -7.419 1.00 8.96 N ATOM 450 CA LYS A 29 -1.041 -4.370 -7.254 1.00 7.90 C ATOM 451 C LYS A 29 -1.950 -5.010 -6.217 1.00 6.92 C ATOM 452 O LYS A 29 -2.077 -6.204 -6.310 1.00 6.87 O ATOM 453 CB LYS A 29 0.416 -4.372 -6.707 1.00 10.28 C ATOM 454 CG LYS A 29 1.467 -3.878 -7.617 1.00 14.94 C ATOM 455 CD LYS A 29 2.917 -4.054 -6.997 1.00 19.69 C ATOM 456 CE LYS A 29 3.971 -3.546 -7.954 1.00 22.63 C ATOM 457 NZ LYS A 29 4.179 -4.524 -9.077 1.00 24.98 N ATOM 0 H LYS A 29 -0.730 -2.283 -6.986 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.148 -4.921 -8.188 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.440 -3.768 -5.800 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.669 -5.392 -6.417 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.409 -4.415 -8.564 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.291 -2.825 -7.837 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.983 -3.512 -6.054 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.098 -5.105 -6.774 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.669 -2.579 -8.357 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.909 -3.390 -7.421 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.930 -4.175 -9.706 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.455 -5.447 -8.686 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.296 -4.627 -9.616 1.00 24.98 H new ATOM 471 N ILE A 30 -2.643 -4.304 -5.310 1.00 4.57 N ATOM 472 CA ILE A 30 -3.670 -4.878 -4.472 1.00 5.58 C ATOM 473 C ILE A 30 -4.987 -5.059 -5.233 1.00 7.26 C ATOM 474 O ILE A 30 -5.781 -5.998 -5.001 1.00 9.46 O ATOM 475 CB ILE A 30 -3.950 -4.114 -3.171 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.634 -3.936 -2.352 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.197 -4.639 -2.393 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.791 -3.232 -1.001 1.00 2.00 C ATOM 0 H ILE A 30 -2.493 -3.308 -5.147 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.257 -5.846 -4.187 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.269 -3.101 -3.418 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.197 -4.920 -2.181 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.924 -3.372 -2.956 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.333 -4.052 -1.485 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.083 -4.547 -3.021 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.047 -5.686 -2.129 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.819 -3.159 -0.513 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.195 -2.231 -1.157 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.472 -3.803 -0.370 1.00 2.00 H new ATOM 490 N GLN A 31 -5.325 -4.135 -6.064 1.00 7.06 N ATOM 491 CA GLN A 31 -6.519 -4.133 -7.001 1.00 8.67 C ATOM 492 C GLN A 31 -6.566 -5.313 -7.918 1.00 10.90 C ATOM 493 O GLN A 31 -7.581 -5.969 -8.205 1.00 9.63 O ATOM 494 CB GLN A 31 -6.452 -2.890 -7.874 1.00 9.12 C ATOM 495 CG GLN A 31 -7.749 -2.510 -8.609 1.00 10.76 C ATOM 496 CD GLN A 31 -7.387 -1.329 -9.541 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.250 -0.909 -9.670 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.372 -0.846 -10.327 1.00 14.76 N ATOM 0 H GLN A 31 -4.773 -3.282 -6.154 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.406 -4.163 -6.368 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.152 -2.048 -7.250 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.666 -3.033 -8.616 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.133 -3.354 -9.182 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.527 -2.223 -7.902 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.325 -1.195 -10.223 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.164 -0.132 -11.025 1.00 14.76 H new ATOM 507 N ASP A 32 -5.421 -5.747 -8.509 1.00 10.93 N ATOM 508 CA ASP A 32 -5.223 -6.926 -9.331 1.00 14.01 C ATOM 509 C ASP A 32 -5.586 -8.333 -8.621 1.00 14.04 C ATOM 510 O ASP A 32 -6.164 -9.260 -9.130 1.00 13.39 O ATOM 511 CB ASP A 32 -3.722 -6.855 -9.786 1.00 18.01 C ATOM 512 CG ASP A 32 -3.428 -7.750 -11.073 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.194 -8.647 -11.488 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.293 -7.579 -11.622 1.00 25.17 O ATOM 0 H ASP A 32 -4.553 -5.223 -8.401 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.920 -6.912 -10.169 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.460 -5.819 -10.001 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.082 -7.182 -8.967 1.00 18.01 H new ATOM 519 N LYS A 33 -5.371 -8.410 -7.334 1.00 14.22 N ATOM 520 CA LYS A 33 -5.608 -9.565 -6.455 1.00 14.00 C ATOM 521 C LYS A 33 -6.993 -9.517 -5.821 1.00 12.37 C ATOM 522 O LYS A 33 -7.762 -10.481 -5.898 1.00 12.17 O ATOM 523 CB LYS A 33 -4.493 -9.425 -5.393 1.00 18.62 C ATOM 524 CG LYS A 33 -3.161 -10.017 -5.848 1.00 24.00 C ATOM 525 CD LYS A 33 -2.249 -10.361 -4.647 1.00 27.61 C ATOM 526 CE LYS A 33 -0.964 -11.134 -4.950 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.191 -12.511 -5.526 1.00 30.06 N ATOM 0 H LYS A 33 -4.997 -7.615 -6.817 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.580 -10.517 -6.985 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.354 -8.370 -5.156 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.809 -9.919 -4.474 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.344 -10.917 -6.436 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.652 -9.308 -6.501 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.975 -9.429 -4.152 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.833 -10.942 -3.933 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.361 -10.555 -5.649 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.385 -11.228 -4.032 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.274 -12.969 -5.703 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.739 -13.083 -4.852 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.716 -12.431 -6.420 1.00 30.06 H new ATOM 541 N GLU A 34 -7.308 -8.406 -5.151 1.00 10.11 N ATOM 542 CA GLU A 34 -8.438 -8.298 -4.267 1.00 10.07 C ATOM 543 C GLU A 34 -9.544 -7.370 -4.820 1.00 9.32 C ATOM 544 O GLU A 34 -10.596 -7.269 -4.233 1.00 11.61 O ATOM 545 CB GLU A 34 -7.926 -7.747 -2.938 1.00 14.77 C ATOM 546 CG GLU A 34 -6.956 -8.590 -2.123 1.00 18.75 C ATOM 547 CD GLU A 34 -7.422 -9.953 -1.608 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.455 -9.969 -0.933 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.666 -10.946 -1.814 1.00 25.19 O ATOM 0 H GLU A 34 -6.764 -7.546 -5.219 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.889 -9.284 -4.154 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.444 -6.791 -3.140 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.793 -7.540 -2.310 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.067 -8.753 -2.732 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.648 -7.999 -1.261 1.00 18.75 H new ATOM 556 N GLY A 35 -9.417 -6.815 -6.070 1.00 7.22 N ATOM 557 CA GLY A 35 -10.598 -6.099 -6.673 1.00 6.29 C ATOM 558 C GLY A 35 -10.930 -4.715 -6.112 1.00 6.93 C ATOM 559 O GLY A 35 -12.087 -4.338 -6.278 1.00 7.41 O ATOM 0 H GLY A 35 -8.575 -6.842 -6.645 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.422 -5.997 -7.744 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.476 -6.733 -6.553 1.00 6.29 H new ATOM 563 N ILE A 36 -10.030 -3.943 -5.476 1.00 5.86 N ATOM 564 CA ILE A 36 -10.248 -2.694 -4.646 1.00 6.07 C ATOM 565 C ILE A 36 -9.800 -1.421 -5.429 1.00 6.36 C ATOM 566 O ILE A 36 -8.636 -1.388 -5.832 1.00 6.18 O ATOM 567 CB ILE A 36 -9.594 -2.736 -3.241 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.841 -4.115 -2.495 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.195 -1.566 -2.430 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.440 -4.004 -0.993 1.00 9.49 C ATOM 0 H ILE A 36 -9.038 -4.178 -5.519 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.322 -2.649 -4.466 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.513 -2.641 -3.340 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.891 -4.396 -2.577 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.261 -4.903 -2.975 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.762 -1.556 -1.430 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.972 -0.624 -2.931 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.275 -1.691 -2.356 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.616 -4.959 -0.498 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.384 -3.745 -0.917 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.039 -3.230 -0.513 1.00 9.49 H new ATOM 582 N PRO A 37 -10.608 -0.365 -5.734 1.00 8.65 N ATOM 583 CA PRO A 37 -10.161 0.883 -6.263 1.00 9.18 C ATOM 584 C PRO A 37 -8.911 1.620 -5.631 1.00 9.85 C ATOM 585 O PRO A 37 -8.977 1.907 -4.422 1.00 8.51 O ATOM 586 CB PRO A 37 -11.351 1.825 -6.159 1.00 11.42 C ATOM 587 CG PRO A 37 -12.527 0.818 -6.183 1.00 9.27 C ATOM 588 CD PRO A 37 -12.005 -0.313 -5.331 1.00 8.33 C ATOM 0 HA PRO A 37 -9.798 0.633 -7.260 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.331 2.415 -5.242 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.394 2.529 -6.990 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.439 1.249 -5.771 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.759 0.489 -7.196 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.117 -0.109 -4.266 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.524 -1.250 -5.532 1.00 8.33 H new ATOM 596 N PRO A 38 -7.808 1.866 -6.271 1.00 8.71 N ATOM 597 CA PRO A 38 -6.721 2.738 -5.692 1.00 9.08 C ATOM 598 C PRO A 38 -7.067 4.106 -5.223 1.00 9.28 C ATOM 599 O PRO A 38 -6.238 4.627 -4.496 1.00 6.50 O ATOM 600 CB PRO A 38 -5.584 2.770 -6.738 1.00 10.31 C ATOM 601 CG PRO A 38 -5.827 1.538 -7.622 1.00 10.81 C ATOM 602 CD PRO A 38 -7.343 1.295 -7.529 1.00 12.00 C ATOM 0 HA PRO A 38 -6.445 2.276 -4.744 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.612 3.689 -7.324 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.606 2.727 -6.260 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.516 1.719 -8.651 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.264 0.676 -7.266 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.857 1.758 -8.372 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.562 0.228 -7.569 1.00 12.00 H new ATOM 610 N ASP A 39 -8.221 4.773 -5.662 1.00 11.20 N ATOM 611 CA ASP A 39 -8.670 5.939 -5.052 1.00 14.96 C ATOM 612 C ASP A 39 -9.164 5.751 -3.631 1.00 13.99 C ATOM 613 O ASP A 39 -9.087 6.664 -2.854 1.00 13.75 O ATOM 614 CB ASP A 39 -9.840 6.670 -5.817 1.00 24.16 C ATOM 615 CG ASP A 39 -9.343 7.123 -7.197 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.503 8.036 -7.285 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.854 6.519 -8.217 1.00 34.22 O ATOM 0 H ASP A 39 -8.798 4.457 -6.441 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.765 6.546 -5.069 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.692 5.999 -5.927 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.184 7.530 -5.242 1.00 24.16 H new ATOM 622 N GLN A 40 -9.874 4.593 -3.375 1.00 11.60 N ATOM 623 CA GLN A 40 -10.510 4.249 -2.110 1.00 10.76 C ATOM 624 C GLN A 40 -9.463 3.843 -1.073 1.00 8.01 C ATOM 625 O GLN A 40 -9.546 4.158 0.084 1.00 8.96 O ATOM 626 CB GLN A 40 -11.581 3.044 -2.288 1.00 11.14 C ATOM 627 CG GLN A 40 -12.513 2.895 -1.076 1.00 14.85 C ATOM 628 CD GLN A 40 -13.402 1.637 -1.208 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.264 0.630 -0.494 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.269 1.628 -2.258 1.00 18.16 N ATOM 0 H GLN A 40 -10.004 3.873 -4.086 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.040 5.137 -1.766 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.179 3.224 -3.181 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.045 2.108 -2.447 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.920 2.831 -0.163 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.142 3.781 -0.986 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.375 2.460 -2.839 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.812 0.789 -2.464 1.00 18.16 H new ATOM 639 N GLN A 41 -8.503 3.010 -1.558 1.00 6.52 N ATOM 640 CA GLN A 41 -7.423 2.455 -0.797 1.00 3.87 C ATOM 641 C GLN A 41 -6.499 3.566 -0.290 1.00 4.79 C ATOM 642 O GLN A 41 -6.040 4.475 -1.055 1.00 6.34 O ATOM 643 CB GLN A 41 -6.546 1.425 -1.594 1.00 4.20 C ATOM 644 CG GLN A 41 -7.241 0.209 -2.120 1.00 3.20 C ATOM 645 CD GLN A 41 -6.203 -0.572 -2.898 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.204 -1.059 -2.408 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.294 -0.678 -4.226 1.00 7.13 N ATOM 0 H GLN A 41 -8.488 2.714 -2.534 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.898 1.923 0.027 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.091 1.947 -2.436 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.734 1.098 -0.945 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.647 -0.390 -1.305 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.079 0.486 -2.760 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.103 -0.294 -4.714 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.554 -1.143 -4.752 1.00 7.13 H new ATOM 656 N ARG A 42 -6.053 3.478 0.927 1.00 5.73 N ATOM 657 CA ARG A 42 -4.981 4.268 1.479 1.00 6.97 C ATOM 658 C ARG A 42 -4.056 3.286 2.158 1.00 7.15 C ATOM 659 O ARG A 42 -4.408 2.207 2.533 1.00 7.33 O ATOM 660 CB ARG A 42 -5.623 5.229 2.494 1.00 13.23 C ATOM 661 CG ARG A 42 -6.575 6.263 1.834 1.00 21.27 C ATOM 662 CD ARG A 42 -6.979 7.350 2.795 1.00 26.14 C ATOM 663 NE ARG A 42 -7.835 8.315 2.070 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.596 9.254 2.656 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.197 9.085 3.826 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.871 10.350 1.984 1.00 36.39 N ATOM 0 H ARG A 42 -6.444 2.820 1.601 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.425 4.849 0.743 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.179 4.651 3.232 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.837 5.759 3.032 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.084 6.708 0.969 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.466 5.753 1.467 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.518 6.927 3.643 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.097 7.850 3.195 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.848 8.263 1.051 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.093 8.204 4.330 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.763 9.836 4.222 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.508 10.473 1.039 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.447 11.077 2.408 1.00 36.39 H new ATOM 680 N LEU A 43 -2.762 3.737 2.421 1.00 4.65 N ATOM 681 CA LEU A 43 -1.678 2.837 2.846 1.00 3.51 C ATOM 682 C LEU A 43 -0.978 3.487 4.002 1.00 5.56 C ATOM 683 O LEU A 43 -0.724 4.687 3.988 1.00 4.19 O ATOM 684 CB LEU A 43 -0.703 2.518 1.701 1.00 3.74 C ATOM 685 CG LEU A 43 -1.175 1.396 0.738 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.052 1.258 -0.292 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.393 0.036 1.426 1.00 6.41 C ATOM 0 H LEU A 43 -2.480 4.714 2.338 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.096 1.876 3.147 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.534 3.426 1.123 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.257 2.230 2.130 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.142 1.666 0.313 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.311 0.481 -1.011 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.081 2.206 -0.814 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.875 0.989 0.214 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.722 -0.696 0.689 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.458 -0.298 1.877 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.153 0.138 2.200 1.00 6.41 H new ATOM 699 N ILE A 44 -0.613 2.663 5.021 1.00 4.58 N ATOM 700 CA ILE A 44 0.047 3.152 6.188 1.00 5.55 C ATOM 701 C ILE A 44 1.300 2.386 6.525 1.00 5.46 C ATOM 702 O ILE A 44 1.274 1.166 6.557 1.00 6.04 O ATOM 703 CB ILE A 44 -0.923 3.186 7.366 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.884 4.322 7.175 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.190 3.309 8.665 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.066 4.252 8.152 1.00 13.90 C ATOM 0 H ILE A 44 -0.781 1.657 5.025 1.00 4.58 H new ATOM 0 HA ILE A 44 0.374 4.169 5.970 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.479 2.249 7.402 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.358 5.267 7.311 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.259 4.310 6.152 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.906 3.331 9.486 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.478 2.456 8.788 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.393 4.230 8.668 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.734 5.095 7.976 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.610 3.320 7.999 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.695 4.292 9.176 1.00 13.90 H new ATOM 718 N PHE A 45 2.416 3.075 6.805 1.00 6.75 N ATOM 719 CA PHE A 45 3.660 2.426 7.366 1.00 4.70 C ATOM 720 C PHE A 45 4.272 3.080 8.656 1.00 6.34 C ATOM 721 O PHE A 45 4.477 4.303 8.608 1.00 5.45 O ATOM 722 CB PHE A 45 4.796 2.401 6.354 1.00 5.51 C ATOM 723 CG PHE A 45 6.111 1.719 6.806 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.081 0.264 7.005 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.228 2.432 7.078 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.279 -0.385 7.290 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.379 1.754 7.406 1.00 6.64 C ATOM 728 CZ PHE A 45 8.463 0.385 7.487 1.00 6.84 C ATOM 0 H PHE A 45 2.505 4.081 6.660 1.00 6.75 H new ATOM 0 HA PHE A 45 3.286 1.435 7.623 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.441 1.896 5.456 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.024 3.429 6.072 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.155 -0.287 6.932 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.216 3.511 7.038 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.312 -1.462 7.361 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.268 2.331 7.612 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.406 -0.098 7.696 1.00 6.84 H new ATOM 738 N ALA A 46 4.325 2.329 9.769 1.00 6.53 N ATOM 739 CA ALA A 46 4.705 2.806 11.075 1.00 7.15 C ATOM 740 C ALA A 46 3.908 3.963 11.592 1.00 9.00 C ATOM 741 O ALA A 46 4.438 4.944 12.081 1.00 11.15 O ATOM 742 CB ALA A 46 6.202 3.156 11.063 1.00 8.99 C ATOM 0 H ALA A 46 4.092 1.336 9.765 1.00 6.53 H new ATOM 0 HA ALA A 46 4.489 1.992 11.766 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.499 3.518 12.047 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.781 2.267 10.813 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.388 3.931 10.320 1.00 8.99 H new ATOM 748 N GLY A 47 2.584 3.943 11.486 1.00 9.35 N ATOM 749 CA GLY A 47 1.648 5.010 11.837 1.00 11.68 C ATOM 750 C GLY A 47 1.596 6.177 10.849 1.00 11.14 C ATOM 751 O GLY A 47 0.892 7.185 11.101 1.00 13.93 O ATOM 0 H GLY A 47 2.099 3.121 11.126 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.649 4.582 11.923 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.915 5.398 12.820 1.00 11.68 H new ATOM 755 N LYS A 48 2.278 6.133 9.714 1.00 10.47 N ATOM 756 CA LYS A 48 2.256 7.168 8.705 1.00 8.82 C ATOM 757 C LYS A 48 1.429 6.779 7.485 1.00 7.68 C ATOM 758 O LYS A 48 1.829 5.787 6.903 1.00 6.47 O ATOM 759 CB LYS A 48 3.657 7.619 8.201 1.00 9.74 C ATOM 760 CG LYS A 48 3.645 8.987 7.493 1.00 14.14 C ATOM 761 CD LYS A 48 4.728 9.175 6.397 1.00 16.32 C ATOM 762 CE LYS A 48 6.088 9.222 6.942 1.00 20.04 C ATOM 763 NZ LYS A 48 6.195 10.311 7.910 1.00 23.92 N ATOM 0 H LYS A 48 2.880 5.348 9.467 1.00 10.47 H new ATOM 0 HA LYS A 48 1.797 8.006 9.229 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.342 7.663 9.048 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.047 6.867 7.515 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.664 9.135 7.041 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.771 9.767 8.243 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.657 8.358 5.679 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.529 10.097 5.851 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.331 8.273 7.420 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.808 9.367 6.136 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.112 10.788 7.796 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.428 10.994 7.750 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.121 9.927 8.874 1.00 23.92 H new ATOM 777 N GLN A 49 0.374 7.533 7.105 1.00 8.89 N ATOM 778 CA GLN A 49 -0.162 7.458 5.734 1.00 7.18 C ATOM 779 C GLN A 49 0.851 7.800 4.652 1.00 8.23 C ATOM 780 O GLN A 49 1.615 8.756 4.710 1.00 9.70 O ATOM 781 CB GLN A 49 -1.557 8.308 5.638 1.00 11.67 C ATOM 782 CG GLN A 49 -2.770 7.379 5.511 1.00 15.82 C ATOM 783 CD GLN A 49 -4.107 8.110 5.511 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.963 7.880 6.386 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.266 9.008 4.527 1.00 20.67 N ATOM 0 H GLN A 49 -0.113 8.187 7.717 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.395 6.414 5.524 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.666 8.932 6.525 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.518 8.978 4.779 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.681 6.804 4.589 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.757 6.665 6.334 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.525 9.149 3.840 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.128 9.550 4.465 1.00 20.67 H new ATOM 794 N LEU A 50 0.833 7.059 3.567 1.00 6.51 N ATOM 795 CA LEU A 50 1.756 7.118 2.419 1.00 7.41 C ATOM 796 C LEU A 50 1.062 7.667 1.220 1.00 8.27 C ATOM 797 O LEU A 50 0.017 7.155 0.818 1.00 8.34 O ATOM 798 CB LEU A 50 2.372 5.697 2.115 1.00 7.13 C ATOM 799 CG LEU A 50 2.924 4.880 3.268 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.793 3.771 2.732 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.790 5.662 4.279 1.00 9.11 C ATOM 0 H LEU A 50 0.123 6.338 3.439 1.00 6.51 H new ATOM 0 HA LEU A 50 2.577 7.788 2.675 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.602 5.101 1.626 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.176 5.833 1.392 1.00 7.13 H new ATOM 0 HG LEU A 50 2.038 4.526 3.796 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.189 3.185 3.562 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.201 3.126 2.083 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.619 4.198 2.163 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.134 4.987 5.062 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.651 6.091 3.766 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.197 6.461 4.724 1.00 9.11 H new ATOM 813 N GLU A 51 1.588 8.755 0.612 1.00 9.43 N ATOM 814 CA GLU A 51 0.922 9.504 -0.426 1.00 11.90 C ATOM 815 C GLU A 51 1.099 8.949 -1.820 1.00 11.49 C ATOM 816 O GLU A 51 2.214 8.636 -2.188 1.00 9.88 O ATOM 817 CB GLU A 51 1.409 10.941 -0.414 1.00 16.56 C ATOM 818 CG GLU A 51 1.452 11.545 1.021 1.00 26.06 C ATOM 819 CD GLU A 51 0.113 11.729 1.687 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.727 12.426 1.027 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.173 11.166 2.795 1.00 33.44 O ATOM 0 H GLU A 51 2.507 9.127 0.849 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.141 9.432 -0.195 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.405 10.987 -0.854 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.755 11.548 -1.041 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.066 10.900 1.650 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.951 12.513 0.974 1.00 26.06 H new ATOM 828 N ASP A 52 -0.076 8.695 -2.515 1.00 12.71 N ATOM 829 CA ASP A 52 -0.257 8.226 -3.891 1.00 16.56 C ATOM 830 C ASP A 52 1.005 8.338 -4.785 1.00 15.83 C ATOM 831 O ASP A 52 1.532 7.391 -5.321 1.00 17.21 O ATOM 832 CB ASP A 52 -1.454 8.986 -4.587 1.00 21.05 C ATOM 833 CG ASP A 52 -2.831 8.587 -4.039 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.186 7.381 -4.159 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.554 9.436 -3.433 1.00 28.37 O ATOM 0 H ASP A 52 -0.978 8.835 -2.060 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.476 7.162 -3.796 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.317 10.060 -4.458 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.426 8.788 -5.658 1.00 21.05 H new ATOM 840 N GLY A 53 1.485 9.616 -4.947 1.00 15.00 N ATOM 841 CA GLY A 53 2.528 9.898 -5.872 1.00 11.77 C ATOM 842 C GLY A 53 3.938 9.643 -5.479 1.00 11.10 C ATOM 843 O GLY A 53 4.888 9.631 -6.243 1.00 11.25 O ATOM 0 H GLY A 53 1.141 10.427 -4.434 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.330 9.320 -6.775 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.449 10.951 -6.144 1.00 11.77 H new ATOM 847 N ARG A 54 4.150 9.434 -4.168 1.00 8.53 N ATOM 848 CA ARG A 54 5.493 9.242 -3.557 1.00 9.05 C ATOM 849 C ARG A 54 5.959 7.784 -3.873 1.00 8.96 C ATOM 850 O ARG A 54 5.209 6.864 -4.270 1.00 11.60 O ATOM 851 CB ARG A 54 5.498 9.589 -2.031 1.00 7.97 C ATOM 852 CG ARG A 54 5.232 11.077 -1.702 1.00 9.62 C ATOM 853 CD ARG A 54 6.300 12.053 -2.146 1.00 12.20 C ATOM 854 NE ARG A 54 5.742 13.437 -1.776 1.00 18.23 N ATOM 855 CZ ARG A 54 6.338 14.610 -2.106 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.588 14.643 -2.510 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.683 15.762 -1.908 1.00 23.38 N ATOM 0 H ARG A 54 3.390 9.392 -3.489 1.00 8.53 H new ATOM 0 HA ARG A 54 6.212 9.938 -3.990 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.743 8.981 -1.532 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.464 9.306 -1.612 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.288 11.368 -2.162 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.104 11.174 -0.624 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.247 11.860 -1.642 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.487 11.975 -3.217 1.00 12.20 H new ATOM 0 HE ARG A 54 4.869 13.476 -1.250 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.125 13.778 -2.579 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.022 15.533 -2.754 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.743 15.753 -1.512 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.124 16.648 -2.153 1.00 23.38 H new ATOM 871 N THR A 55 7.239 7.506 -3.663 1.00 9.05 N ATOM 872 CA THR A 55 7.860 6.191 -3.886 1.00 9.03 C ATOM 873 C THR A 55 8.211 5.363 -2.633 1.00 8.15 C ATOM 874 O THR A 55 8.491 5.938 -1.568 1.00 5.91 O ATOM 875 CB THR A 55 9.050 6.126 -4.817 1.00 11.15 C ATOM 876 OG1 THR A 55 10.266 6.597 -4.221 1.00 11.95 O ATOM 877 CG2 THR A 55 8.859 6.922 -6.110 1.00 11.71 C ATOM 0 H THR A 55 7.900 8.204 -3.323 1.00 9.05 H new ATOM 0 HA THR A 55 7.005 5.738 -4.389 1.00 9.03 H new ATOM 0 HB THR A 55 9.126 5.062 -5.039 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.906 6.831 -4.925 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.751 6.830 -6.729 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.999 6.532 -6.654 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.691 7.972 -5.870 1.00 11.71 H new ATOM 885 N LEU A 56 8.249 3.988 -2.795 1.00 6.91 N ATOM 886 CA LEU A 56 8.839 3.128 -1.812 1.00 8.29 C ATOM 887 C LEU A 56 10.260 3.400 -1.447 1.00 8.05 C ATOM 888 O LEU A 56 10.713 3.135 -0.289 1.00 10.17 O ATOM 889 CB LEU A 56 8.822 1.654 -2.233 1.00 6.60 C ATOM 890 CG LEU A 56 7.444 0.975 -2.411 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.670 -0.457 -2.897 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.647 0.998 -1.127 1.00 8.64 C ATOM 0 H LEU A 56 7.869 3.500 -3.606 1.00 6.91 H new ATOM 0 HA LEU A 56 8.204 3.343 -0.953 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.363 1.568 -3.175 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.383 1.086 -1.490 1.00 6.60 H new ATOM 0 HG LEU A 56 6.860 1.525 -3.149 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.708 -0.953 -3.028 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.202 -0.439 -3.848 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.261 -1.002 -2.161 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.684 0.513 -1.288 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.195 0.467 -0.349 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.486 2.031 -0.817 1.00 8.64 H new ATOM 904 N SER A 57 11.068 3.905 -2.385 1.00 8.92 N ATOM 905 CA SER A 57 12.432 4.499 -2.203 1.00 9.00 C ATOM 906 C SER A 57 12.338 5.702 -1.221 1.00 9.44 C ATOM 907 O SER A 57 12.997 5.705 -0.165 1.00 10.91 O ATOM 908 CB SER A 57 13.117 4.998 -3.518 1.00 10.32 C ATOM 909 OG SER A 57 14.548 5.218 -3.246 1.00 13.59 O ATOM 0 H SER A 57 10.784 3.919 -3.364 1.00 8.92 H new ATOM 0 HA SER A 57 13.052 3.689 -1.818 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.991 4.263 -4.313 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.650 5.921 -3.861 1.00 10.32 H new ATOM 0 HG SER A 57 14.992 5.530 -4.062 1.00 13.59 H new ATOM 915 N ASP A 58 11.468 6.653 -1.483 1.00 9.11 N ATOM 916 CA ASP A 58 11.248 7.841 -0.681 1.00 7.91 C ATOM 917 C ASP A 58 10.948 7.591 0.813 1.00 9.12 C ATOM 918 O ASP A 58 11.445 8.314 1.686 1.00 8.61 O ATOM 919 CB ASP A 58 10.159 8.685 -1.388 1.00 8.41 C ATOM 920 CG ASP A 58 10.412 10.164 -1.133 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.560 10.559 -1.435 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.548 10.896 -0.556 1.00 11.70 O ATOM 0 H ASP A 58 10.863 6.618 -2.303 1.00 9.11 H new ATOM 0 HA ASP A 58 12.188 8.391 -0.628 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.168 8.484 -2.459 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.172 8.406 -1.019 1.00 8.41 H new ATOM 927 N TYR A 59 10.060 6.582 1.107 1.00 7.97 N ATOM 928 CA TYR A 59 9.754 6.206 2.536 1.00 8.45 C ATOM 929 C TYR A 59 10.700 5.255 3.083 1.00 10.98 C ATOM 930 O TYR A 59 10.637 4.982 4.276 1.00 12.95 O ATOM 931 CB TYR A 59 8.394 5.585 2.507 1.00 7.94 C ATOM 932 CG TYR A 59 7.345 6.631 2.190 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.135 7.644 3.123 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.664 6.624 1.008 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.201 8.658 2.886 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.687 7.628 0.779 1.00 6.52 C ATOM 937 CZ TYR A 59 5.492 8.718 1.712 1.00 6.76 C ATOM 938 OH TYR A 59 4.533 9.714 1.599 1.00 7.63 O ATOM 0 H TYR A 59 9.561 6.034 0.406 1.00 7.97 H new ATOM 0 HA TYR A 59 9.812 7.091 3.170 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.365 4.792 1.759 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.177 5.123 3.470 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.701 7.646 4.043 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.864 5.870 0.261 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.034 9.410 3.643 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.076 7.578 -0.110 1.00 6.52 H new ATOM 0 HH TYR A 59 4.974 10.587 1.531 1.00 7.63 H new ATOM 948 N ASN A 60 11.683 4.733 2.288 1.00 12.38 N ATOM 949 CA ASN A 60 12.722 3.834 2.768 1.00 13.94 C ATOM 950 C ASN A 60 12.207 2.471 3.072 1.00 14.16 C ATOM 951 O ASN A 60 12.605 1.832 4.029 1.00 14.26 O ATOM 952 CB ASN A 60 13.561 4.447 3.895 1.00 19.23 C ATOM 953 CG ASN A 60 14.059 5.849 3.432 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.919 5.992 2.570 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.344 6.908 4.004 1.00 24.09 N ATOM 0 H ASN A 60 11.756 4.940 1.292 1.00 12.38 H new ATOM 0 HA ASN A 60 13.418 3.696 1.940 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.966 4.537 4.804 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.408 3.803 4.131 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.527 7.866 3.707 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.640 6.721 4.718 1.00 24.09 H new ATOM 962 N ILE A 61 11.283 1.962 2.330 1.00 11.08 N ATOM 963 CA ILE A 61 10.647 0.714 2.580 1.00 11.78 C ATOM 964 C ILE A 61 11.484 -0.406 1.998 1.00 13.74 C ATOM 965 O ILE A 61 11.492 -0.794 0.878 1.00 14.60 O ATOM 966 CB ILE A 61 9.216 0.674 2.060 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.437 1.855 2.748 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.519 -0.678 2.466 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.082 2.302 2.112 1.00 11.42 C ATOM 0 H ILE A 61 10.934 2.428 1.492 1.00 11.08 H new ATOM 0 HA ILE A 61 10.575 0.581 3.659 1.00 11.78 H new ATOM 0 HB ILE A 61 9.214 0.760 0.973 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.244 1.571 3.783 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.097 2.722 2.773 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.497 -0.689 2.086 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.073 -1.515 2.041 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.503 -0.767 3.552 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.661 3.123 2.692 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.252 2.632 1.087 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.386 1.463 2.112 1.00 11.42 H new ATOM 981 N GLN A 62 12.220 -1.168 2.934 1.00 13.97 N ATOM 982 CA GLN A 62 13.119 -2.258 2.559 1.00 15.52 C ATOM 983 C GLN A 62 12.279 -3.560 2.379 1.00 13.94 C ATOM 984 O GLN A 62 11.070 -3.627 2.767 1.00 12.15 O ATOM 985 CB GLN A 62 14.188 -2.509 3.644 1.00 19.53 C ATOM 986 CG GLN A 62 15.039 -1.268 3.902 1.00 26.38 C ATOM 987 CD GLN A 62 16.190 -1.557 4.784 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.060 -2.406 4.565 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.207 -0.812 5.953 1.00 32.71 N ATOM 0 H GLN A 62 12.173 -1.007 3.940 1.00 13.97 H new ATOM 0 HA GLN A 62 13.624 -1.982 1.634 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.701 -2.814 4.570 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.832 -3.333 3.336 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.400 -0.873 2.953 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.421 -0.493 4.355 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.483 -0.114 6.123 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.943 -0.962 6.643 1.00 32.71 H new ATOM 998 N LYS A 63 12.888 -4.612 1.798 1.00 11.73 N ATOM 999 CA LYS A 63 12.322 -5.926 1.626 1.00 11.97 C ATOM 1000 C LYS A 63 11.829 -6.481 2.902 1.00 10.41 C ATOM 1001 O LYS A 63 12.343 -6.329 3.986 1.00 9.59 O ATOM 1002 CB LYS A 63 13.379 -6.853 0.979 1.00 13.73 C ATOM 1003 CG LYS A 63 14.572 -7.325 1.850 1.00 16.98 C ATOM 1004 CD LYS A 63 15.828 -7.755 0.939 1.00 20.19 C ATOM 1005 CE LYS A 63 15.627 -8.896 -0.024 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.890 -9.405 -0.546 1.00 25.97 N ATOM 0 H LYS A 63 13.835 -4.545 1.424 1.00 11.73 H new ATOM 0 HA LYS A 63 11.457 -5.852 0.967 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.863 -7.740 0.612 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.786 -6.338 0.109 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.869 -6.525 2.528 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.263 -8.168 2.468 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.143 -6.883 0.367 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.652 -8.016 1.603 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.092 -9.702 0.477 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.001 -8.564 -0.852 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.703 -10.188 -1.204 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.390 -8.644 -1.047 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.478 -9.746 0.241 1.00 25.97 H new ATOM 1020 N GLU A 64 10.582 -7.066 2.806 1.00 10.04 N ATOM 1021 CA GLU A 64 9.871 -7.832 3.801 1.00 10.94 C ATOM 1022 C GLU A 64 9.136 -6.985 4.723 1.00 9.74 C ATOM 1023 O GLU A 64 8.558 -7.525 5.654 1.00 9.42 O ATOM 1024 CB GLU A 64 10.743 -8.931 4.468 1.00 18.31 C ATOM 1025 CG GLU A 64 11.328 -9.931 3.427 1.00 24.16 C ATOM 1026 CD GLU A 64 12.397 -10.747 4.093 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.427 -10.133 4.480 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.277 -12.058 4.123 1.00 31.72 O ATOM 0 H GLU A 64 10.038 -6.984 1.947 1.00 10.04 H new ATOM 0 HA GLU A 64 9.104 -8.402 3.276 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.559 -8.461 5.016 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.143 -9.477 5.196 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.541 -10.580 3.043 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.740 -9.391 2.575 1.00 24.16 H new ATOM 1035 N SER A 65 9.072 -5.673 4.481 1.00 6.85 N ATOM 1036 CA SER A 65 8.386 -4.722 5.383 1.00 6.90 C ATOM 1037 C SER A 65 6.939 -4.995 5.499 1.00 4.72 C ATOM 1038 O SER A 65 6.364 -5.430 4.513 1.00 3.91 O ATOM 1039 CB SER A 65 8.526 -3.275 4.924 1.00 7.28 C ATOM 1040 OG SER A 65 9.866 -2.862 5.070 1.00 10.56 O ATOM 0 H SER A 65 9.490 -5.234 3.660 1.00 6.85 H new ATOM 0 HA SER A 65 8.877 -4.863 6.346 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.217 -3.181 3.883 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.870 -2.631 5.510 1.00 7.28 H new ATOM 0 HG SER A 65 10.404 -3.231 4.338 1.00 10.56 H new ATOM 1046 N THR A 66 6.276 -4.651 6.635 1.00 4.48 N ATOM 1047 CA THR A 66 4.846 -4.848 6.818 1.00 3.80 C ATOM 1048 C THR A 66 4.176 -3.560 6.726 1.00 4.60 C ATOM 1049 O THR A 66 4.599 -2.543 7.167 1.00 5.33 O ATOM 1050 CB THR A 66 4.452 -5.527 8.172 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.241 -6.665 8.314 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.003 -6.062 8.143 1.00 3.40 C ATOM 0 H THR A 66 6.736 -4.229 7.442 1.00 4.48 H new ATOM 0 HA THR A 66 4.531 -5.532 6.030 1.00 3.80 H new ATOM 0 HB THR A 66 4.573 -4.788 8.964 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.019 -7.114 9.156 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.767 -6.526 9.101 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.314 -5.237 7.960 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.904 -6.801 7.348 1.00 3.40 H new ATOM 1060 N LEU A 67 3.074 -3.597 5.945 1.00 4.17 N ATOM 1061 CA LEU A 67 2.305 -2.407 5.590 1.00 3.85 C ATOM 1062 C LEU A 67 0.914 -2.619 6.003 1.00 3.80 C ATOM 1063 O LEU A 67 0.438 -3.762 6.125 1.00 5.54 O ATOM 1064 CB LEU A 67 2.279 -2.241 4.056 1.00 7.18 C ATOM 1065 CG LEU A 67 3.461 -1.506 3.414 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.820 -2.195 3.498 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.097 -1.106 1.951 1.00 11.66 C ATOM 0 H LEU A 67 2.701 -4.459 5.548 1.00 4.17 H new ATOM 0 HA LEU A 67 2.753 -1.537 6.070 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.214 -3.233 3.609 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.365 -1.711 3.788 1.00 7.18 H new ATOM 0 HG LEU A 67 3.611 -0.617 4.026 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.572 -1.577 3.009 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.092 -2.337 4.544 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.768 -3.164 3.002 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.939 -0.584 1.496 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.872 -2.003 1.374 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.225 -0.452 1.959 1.00 11.66 H new ATOM 1079 N HIS A 68 0.131 -1.520 6.208 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.263 -1.645 6.648 1.00 4.17 C ATOM 1081 C HIS A 68 -2.194 -0.907 5.737 1.00 5.32 C ATOM 1082 O HIS A 68 -2.019 0.280 5.440 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.467 -1.164 8.106 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.507 -1.762 9.040 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.832 -1.252 9.186 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.595 -2.739 9.916 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.432 -2.058 10.132 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.608 -2.958 10.621 1.00 16.30 N ATOM 0 H HIS A 68 0.448 -0.560 6.074 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.498 -2.709 6.609 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.375 -0.079 8.142 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.480 -1.409 8.426 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.494 -3.314 10.079 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.464 -1.960 10.437 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.795 -3.654 11.343 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.230 -1.599 5.273 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.165 -1.141 4.230 1.00 3.97 C ATOM 1098 C LEU A 69 -5.394 -0.574 4.850 1.00 5.07 C ATOM 1099 O LEU A 69 -6.066 -1.152 5.688 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.590 -2.416 3.367 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.610 -2.081 2.256 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.109 -1.029 1.223 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.873 -3.318 1.423 1.00 9.96 C ATOM 0 H LEU A 69 -3.457 -2.531 5.621 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.686 -0.377 3.618 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.700 -2.855 2.915 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.017 -3.170 4.029 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.480 -1.696 2.788 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.885 -0.852 0.478 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.879 -0.096 1.737 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.212 -1.402 0.730 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.593 -3.082 0.639 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.941 -3.657 0.970 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.275 -4.106 2.059 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.717 0.687 4.442 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.942 1.347 4.916 1.00 6.26 C ATOM 1117 C VAL A 70 -7.868 1.600 3.782 1.00 9.22 C ATOM 1118 O VAL A 70 -7.456 1.948 2.666 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.581 2.653 5.640 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.932 3.272 6.174 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.570 2.349 6.772 1.00 8.54 C ATOM 0 H VAL A 70 -5.153 1.245 3.801 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.453 0.691 5.621 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.099 3.375 4.981 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.723 4.205 6.697 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.599 3.468 5.335 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.408 2.570 6.859 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.312 3.274 7.288 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.016 1.651 7.480 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.669 1.908 6.346 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.155 1.308 4.066 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.145 1.430 2.996 1.00 16.06 C ATOM 1133 C LEU A 71 -11.076 2.581 3.405 1.00 18.09 C ATOM 1134 O LEU A 71 -11.782 2.505 4.403 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.029 0.076 2.683 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.120 -1.103 2.238 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.959 -2.413 1.973 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.169 -0.789 1.052 1.00 19.57 C ATOM 0 H LEU A 71 -9.511 1.005 4.973 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.608 1.610 2.065 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.588 -0.210 3.574 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.760 0.289 1.903 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.458 -1.275 3.086 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.291 -3.217 1.664 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.478 -2.704 2.886 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.689 -2.225 1.186 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.577 -1.673 0.816 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.757 -0.503 0.180 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.504 0.030 1.326 1.00 19.57 H new