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 Set 1.1: A 6 LYS NZ :NH3+ 179:sc= 0.479 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 130:sc= 0.432 USER MOD Set 2.1: A 7 THR OG1 : rot 114:sc= 1.54 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.952 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.27 (180deg=1.25) USER MOD Single : A 2 GLN : amide:sc=-0.00661 X(o=-0.0066,f=-0.0066) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 1.01 (180deg=-0.31!) 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= -0.157 K(o=-0.16,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 1.65 (180deg=0.838) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.612 (180deg=0.603) USER MOD Single : A 31 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.19) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.367 K(o=-0.37,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0.877 K(o=0.88,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 55 THR OG1 : rot -170:sc= 0.259 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.569 USER MOD Single : A 60 ASN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 146:sc= -0.201 (180deg=-0.612) USER MOD Single : A 65 SER OG : rot -110:sc= -0.0159 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=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.969 -4.479 -4.422 1.00 0.78 N ATOM 2 CA MET A 1 12.790 -5.049 -3.068 1.00 0.70 C ATOM 3 C MET A 1 11.393 -5.468 -2.761 1.00 0.62 C ATOM 4 O MET A 1 10.500 -5.130 -3.537 1.00 0.68 O ATOM 5 CB MET A 1 13.367 -4.031 -2.071 1.00 0.75 C ATOM 6 CG MET A 1 12.521 -2.785 -1.809 1.00 0.79 C ATOM 7 SD MET A 1 13.312 -1.573 -0.708 1.00 1.10 S ATOM 8 CE MET A 1 11.958 -0.401 -0.406 1.00 0.84 C ATOM 0 H1 MET A 1 13.962 -4.197 -4.552 1.00 0.78 H new ATOM 0 H2 MET A 1 12.716 -5.192 -5.135 1.00 0.78 H new ATOM 0 H3 MET A 1 12.356 -3.646 -4.532 1.00 0.78 H new ATOM 0 HA MET A 1 13.332 -5.991 -2.994 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.532 -4.539 -1.121 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.343 -3.711 -2.435 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.297 -2.304 -2.761 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.569 -3.089 -1.374 1.00 0.79 H new ATOM 0 HE1 MET A 1 12.305 0.394 0.254 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.632 0.030 -1.353 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.123 -0.922 0.062 1.00 0.84 H new ATOM 20 N GLN A 2 11.169 -6.413 -1.830 1.00 0.59 N ATOM 21 CA GLN A 2 9.874 -6.953 -1.558 1.00 0.56 C ATOM 22 C GLN A 2 9.158 -6.275 -0.440 1.00 0.50 C ATOM 23 O GLN A 2 9.815 -6.046 0.574 1.00 0.60 O ATOM 24 CB GLN A 2 9.657 -8.471 -1.443 1.00 0.71 C ATOM 25 CG GLN A 2 9.516 -9.236 -2.761 1.00 1.15 C ATOM 26 CD GLN A 2 10.577 -8.892 -3.798 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.302 -8.522 -4.938 1.00 1.87 O ATOM 28 NE2 GLN A 2 11.836 -9.235 -3.414 1.00 1.72 N ATOM 0 H GLN A 2 11.908 -6.812 -1.251 1.00 0.59 H new ATOM 0 HA GLN A 2 9.438 -6.717 -2.529 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.494 -8.896 -0.889 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.760 -8.645 -0.849 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.559 -10.305 -2.554 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.532 -9.032 -3.183 1.00 1.15 H new ATOM 0 HE21 GLN A 2 12.013 -9.536 -2.456 1.00 1.72 H new ATOM 0 HE22 GLN A 2 12.603 -9.191 -4.085 1.00 1.72 H new ATOM 37 N ILE A 3 7.886 -5.878 -0.619 1.00 0.44 N ATOM 38 CA ILE A 3 7.116 -5.367 0.473 1.00 0.42 C ATOM 39 C ILE A 3 5.863 -6.154 0.652 1.00 0.40 C ATOM 40 O ILE A 3 5.384 -6.788 -0.287 1.00 0.50 O ATOM 41 CB ILE A 3 6.809 -3.911 0.283 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.113 -3.758 -1.079 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.022 -2.977 0.437 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.371 -2.423 -1.121 1.00 0.72 C ATOM 0 H ILE A 3 7.393 -5.910 -1.512 1.00 0.44 H new ATOM 0 HA ILE A 3 7.713 -5.468 1.379 1.00 0.42 H new ATOM 0 HB ILE A 3 6.149 -3.588 1.088 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.848 -3.804 -1.883 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.415 -4.580 -1.238 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.708 -1.945 0.283 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.439 -3.084 1.438 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.779 -3.240 -0.302 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.876 -2.312 -2.086 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.626 -2.396 -0.326 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.081 -1.608 -0.981 1.00 0.72 H new ATOM 56 N PHE A 4 5.198 -6.136 1.820 1.00 0.37 N ATOM 57 CA PHE A 4 3.988 -6.847 2.095 1.00 0.38 C ATOM 58 C PHE A 4 2.818 -5.942 2.276 1.00 0.39 C ATOM 59 O PHE A 4 2.822 -4.900 2.929 1.00 0.60 O ATOM 60 CB PHE A 4 3.948 -7.768 3.325 1.00 0.45 C ATOM 61 CG PHE A 4 5.123 -8.684 3.298 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.179 -9.776 2.465 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.141 -8.483 4.200 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.282 -10.597 2.498 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.221 -9.321 4.344 1.00 1.40 C ATOM 66 CZ PHE A 4 7.234 -10.380 3.467 1.00 0.85 C ATOM 0 H PHE A 4 5.524 -5.593 2.619 1.00 0.37 H new ATOM 0 HA PHE A 4 3.945 -7.467 1.200 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.958 -7.173 4.238 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.023 -8.345 3.331 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.363 -9.988 1.790 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.089 -7.611 4.836 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.398 -11.394 1.779 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.993 -9.161 5.082 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.046 -11.088 3.544 1.00 0.85 H new ATOM 76 N VAL A 5 1.691 -6.328 1.651 1.00 0.35 N ATOM 77 CA VAL A 5 0.510 -5.541 1.826 1.00 0.35 C ATOM 78 C VAL A 5 -0.557 -6.481 2.272 1.00 0.35 C ATOM 79 O VAL A 5 -0.794 -7.463 1.570 1.00 0.46 O ATOM 80 CB VAL A 5 0.115 -4.918 0.519 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.270 -4.262 0.646 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.118 -3.833 0.095 1.00 0.56 C ATOM 0 H VAL A 5 1.596 -7.147 1.051 1.00 0.35 H new ATOM 0 HA VAL A 5 0.670 -4.742 2.550 1.00 0.35 H new ATOM 0 HB VAL A 5 0.098 -5.710 -0.229 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.548 -3.812 -0.307 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.007 -5.017 0.920 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.238 -3.491 1.415 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.805 -3.400 -0.855 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.153 -3.053 0.855 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.108 -4.276 -0.016 1.00 0.56 H new ATOM 92 N LYS A 6 -1.180 -6.158 3.419 1.00 0.36 N ATOM 93 CA LYS A 6 -2.267 -6.960 3.889 1.00 0.39 C ATOM 94 C LYS A 6 -3.597 -6.337 3.641 1.00 0.46 C ATOM 95 O LYS A 6 -3.680 -5.110 3.660 1.00 0.53 O ATOM 96 CB LYS A 6 -2.123 -7.049 5.418 1.00 0.54 C ATOM 97 CG LYS A 6 -0.834 -7.734 5.875 1.00 1.22 C ATOM 98 CD LYS A 6 -0.782 -8.038 7.373 1.00 1.37 C ATOM 99 CE LYS A 6 0.408 -8.955 7.665 1.00 1.93 C ATOM 100 NZ LYS A 6 0.127 -10.406 7.569 1.00 2.09 N ATOM 0 H LYS A 6 -0.940 -5.362 4.009 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.226 -7.918 3.370 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.158 -6.043 5.837 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.976 -7.593 5.823 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.716 -8.666 5.322 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.013 -7.099 5.615 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.689 -7.112 7.940 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.709 -8.515 7.691 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.213 -8.711 6.971 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.775 -8.738 8.668 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.996 -10.942 7.767 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.604 -10.665 8.262 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.208 -10.632 6.611 1.00 2.09 H new ATOM 114 N THR A 7 -4.620 -7.184 3.422 1.00 0.58 N ATOM 115 CA THR A 7 -5.959 -6.773 3.134 1.00 0.78 C ATOM 116 C THR A 7 -6.877 -6.787 4.308 1.00 0.94 C ATOM 117 O THR A 7 -6.696 -7.498 5.295 1.00 0.99 O ATOM 118 CB THR A 7 -6.605 -7.416 1.943 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.116 -8.723 2.162 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.668 -7.439 0.724 1.00 0.92 C ATOM 0 H THR A 7 -4.509 -8.198 3.447 1.00 0.58 H new ATOM 0 HA THR A 7 -5.801 -5.732 2.854 1.00 0.78 H new ATOM 0 HB THR A 7 -7.465 -6.776 1.746 1.00 0.90 H new ATOM 0 HG1 THR A 7 -8.093 -8.710 2.084 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.175 -7.913 -0.116 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.396 -6.418 0.455 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.767 -8.002 0.968 1.00 0.92 H new ATOM 128 N LEU A 8 -7.992 -6.037 4.252 1.00 1.17 N ATOM 129 CA LEU A 8 -9.021 -6.129 5.241 1.00 1.39 C ATOM 130 C LEU A 8 -9.525 -7.487 5.589 1.00 1.44 C ATOM 131 O LEU A 8 -9.770 -7.815 6.749 1.00 1.60 O ATOM 132 CB LEU A 8 -10.224 -5.252 4.853 1.00 1.66 C ATOM 133 CG LEU A 8 -9.907 -3.757 4.690 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.175 -3.146 4.069 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.552 -3.110 6.039 1.00 2.43 C ATOM 0 H LEU A 8 -8.182 -5.360 3.513 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.514 -5.778 6.140 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.640 -5.625 3.917 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.997 -5.364 5.613 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.035 -3.588 4.058 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.028 -2.076 3.921 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.375 -3.621 3.109 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.021 -3.307 4.737 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.333 -2.053 5.889 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.393 -3.213 6.724 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.678 -3.605 6.461 1.00 2.43 H new ATOM 147 N THR A 9 -9.631 -8.312 4.532 1.00 1.41 N ATOM 148 CA THR A 9 -10.227 -9.611 4.484 1.00 1.51 C ATOM 149 C THR A 9 -9.291 -10.680 4.934 1.00 1.37 C ATOM 150 O THR A 9 -9.571 -11.872 5.049 1.00 1.62 O ATOM 151 CB THR A 9 -10.730 -9.825 3.088 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.731 -9.546 2.119 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.871 -8.812 2.892 1.00 2.08 C ATOM 0 H THR A 9 -9.261 -8.039 3.621 1.00 1.41 H new ATOM 0 HA THR A 9 -11.061 -9.668 5.184 1.00 1.51 H new ATOM 0 HB THR A 9 -11.039 -10.863 2.962 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.094 -9.698 1.222 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.283 -8.917 1.888 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.654 -8.999 3.627 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.486 -7.801 3.022 1.00 2.08 H new ATOM 161 N GLY A 10 -8.023 -10.243 5.034 1.00 1.18 N ATOM 162 CA GLY A 10 -7.003 -11.095 5.561 1.00 1.22 C ATOM 163 C GLY A 10 -5.974 -11.583 4.599 1.00 0.99 C ATOM 164 O GLY A 10 -5.158 -12.429 4.962 1.00 1.31 O ATOM 0 H GLY A 10 -7.707 -9.314 4.755 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.493 -10.560 6.362 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.484 -11.962 6.013 1.00 1.22 H new ATOM 168 N LYS A 11 -5.891 -11.152 3.328 1.00 0.73 N ATOM 169 CA LYS A 11 -4.945 -11.581 2.346 1.00 0.60 C ATOM 170 C LYS A 11 -3.657 -10.865 2.566 1.00 0.51 C ATOM 171 O LYS A 11 -3.661 -9.732 3.044 1.00 0.63 O ATOM 172 CB LYS A 11 -5.463 -11.361 0.915 1.00 0.75 C ATOM 173 CG LYS A 11 -4.750 -12.225 -0.127 1.00 0.87 C ATOM 174 CD LYS A 11 -5.494 -11.973 -1.439 1.00 1.04 C ATOM 175 CE LYS A 11 -4.974 -12.833 -2.593 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.811 -12.791 -3.813 1.00 1.40 N ATOM 0 H LYS A 11 -6.534 -10.451 2.961 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.789 -12.654 2.457 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.531 -11.576 0.886 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.342 -10.311 0.650 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.699 -11.951 -0.212 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.783 -13.279 0.147 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.556 -12.173 -1.293 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.402 -10.920 -1.707 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.966 -12.506 -2.848 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.898 -13.866 -2.254 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.207 -12.902 -4.652 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.507 -13.563 -3.783 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.308 -11.879 -3.862 1.00 1.40 H new ATOM 190 N THR A 12 -2.514 -11.535 2.335 1.00 0.49 N ATOM 191 CA THR A 12 -1.271 -10.837 2.466 1.00 0.48 C ATOM 192 C THR A 12 -0.530 -11.024 1.187 1.00 0.52 C ATOM 193 O THR A 12 0.176 -12.018 1.031 1.00 0.72 O ATOM 194 CB THR A 12 -0.290 -11.279 3.511 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.891 -11.194 4.795 1.00 0.77 O ATOM 196 CG2 THR A 12 0.915 -10.325 3.454 1.00 0.78 C ATOM 0 H THR A 12 -2.447 -12.517 2.069 1.00 0.49 H new ATOM 0 HA THR A 12 -1.585 -9.831 2.747 1.00 0.48 H new ATOM 0 HB THR A 12 0.020 -12.308 3.331 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.761 -12.039 5.274 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.649 -10.620 4.204 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.369 -10.371 2.464 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.582 -9.306 3.653 1.00 0.78 H new ATOM 204 N ILE A 13 -0.658 -10.067 0.250 1.00 0.48 N ATOM 205 CA ILE A 13 0.019 -9.957 -1.005 1.00 0.55 C ATOM 206 C ILE A 13 1.422 -9.479 -0.854 1.00 0.51 C ATOM 207 O ILE A 13 1.733 -8.664 0.013 1.00 0.56 O ATOM 208 CB ILE A 13 -0.827 -9.369 -2.096 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.043 -7.857 -1.922 1.00 1.15 C ATOM 210 CG2 ILE A 13 -2.199 -10.063 -2.087 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.125 -7.205 -2.784 1.00 1.55 C ATOM 0 H ILE A 13 -1.304 -9.290 0.389 1.00 0.48 H new ATOM 0 HA ILE A 13 0.170 -10.961 -1.403 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.304 -9.526 -3.039 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -1.284 -7.668 -0.876 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -0.098 -7.354 -2.127 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.824 -9.644 -2.876 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -2.067 -11.132 -2.257 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.680 -9.906 -1.122 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -2.173 -6.139 -2.563 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.885 -7.346 -3.838 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.089 -7.665 -2.567 1.00 1.55 H new ATOM 223 N THR A 14 2.367 -10.002 -1.656 1.00 0.55 N ATOM 224 CA THR A 14 3.728 -9.572 -1.736 1.00 0.54 C ATOM 225 C THR A 14 3.826 -8.883 -3.054 1.00 0.55 C ATOM 226 O THR A 14 3.384 -9.483 -4.032 1.00 0.72 O ATOM 227 CB THR A 14 4.670 -10.740 -1.741 1.00 0.67 C ATOM 228 OG1 THR A 14 4.271 -11.661 -0.737 1.00 1.08 O ATOM 229 CG2 THR A 14 6.070 -10.232 -1.352 1.00 1.03 C ATOM 0 H THR A 14 2.166 -10.776 -2.289 1.00 0.55 H new ATOM 0 HA THR A 14 3.992 -8.942 -0.887 1.00 0.54 H new ATOM 0 HB THR A 14 4.669 -11.209 -2.725 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.881 -12.428 -0.735 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.772 -11.066 -1.349 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.399 -9.483 -2.073 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.032 -9.786 -0.358 1.00 1.03 H new ATOM 237 N LEU A 15 4.379 -7.656 -3.052 1.00 0.50 N ATOM 238 CA LEU A 15 4.520 -6.817 -4.201 1.00 0.55 C ATOM 239 C LEU A 15 5.979 -6.615 -4.426 1.00 0.52 C ATOM 240 O LEU A 15 6.842 -6.913 -3.601 1.00 0.58 O ATOM 241 CB LEU A 15 3.911 -5.434 -3.920 1.00 0.69 C ATOM 242 CG LEU A 15 2.391 -5.438 -3.686 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.009 -3.992 -3.329 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.597 -5.802 -4.953 1.00 1.55 C ATOM 0 H LEU A 15 4.747 -7.228 -2.203 1.00 0.50 H new ATOM 0 HA LEU A 15 4.024 -7.276 -5.056 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.399 -5.008 -3.043 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.134 -4.776 -4.760 1.00 0.69 H new ATOM 0 HG LEU A 15 2.158 -6.172 -2.914 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.935 -3.933 -3.151 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.543 -3.686 -2.430 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.277 -3.331 -4.153 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.530 -5.790 -4.730 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.812 -5.077 -5.738 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.886 -6.798 -5.290 1.00 1.55 H new ATOM 256 N GLU A 16 6.370 -6.119 -5.614 1.00 0.59 N ATOM 257 CA GLU A 16 7.743 -5.854 -5.913 1.00 0.63 C ATOM 258 C GLU A 16 7.851 -4.382 -6.119 1.00 0.65 C ATOM 259 O GLU A 16 7.225 -3.862 -7.042 1.00 0.81 O ATOM 260 CB GLU A 16 8.007 -6.475 -7.295 1.00 0.76 C ATOM 261 CG GLU A 16 9.389 -6.166 -7.876 1.00 1.41 C ATOM 262 CD GLU A 16 9.594 -6.879 -9.205 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.876 -7.873 -9.494 1.00 1.92 O ATOM 264 OE2 GLU A 16 10.440 -6.442 -10.030 1.00 1.95 O ATOM 0 H GLU A 16 5.727 -5.900 -6.375 1.00 0.59 H new ATOM 0 HA GLU A 16 8.413 -6.227 -5.138 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.891 -7.556 -7.222 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.247 -6.119 -7.990 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.496 -5.090 -8.016 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.161 -6.474 -7.171 1.00 1.41 H new ATOM 271 N VAL A 17 8.679 -3.641 -5.361 1.00 0.61 N ATOM 272 CA VAL A 17 8.909 -2.238 -5.520 1.00 0.63 C ATOM 273 C VAL A 17 10.340 -1.821 -5.522 1.00 0.65 C ATOM 274 O VAL A 17 11.154 -2.649 -5.115 1.00 0.76 O ATOM 275 CB VAL A 17 8.276 -1.437 -4.421 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.763 -1.693 -4.322 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.992 -1.724 -3.090 1.00 0.92 C ATOM 0 H VAL A 17 9.218 -4.044 -4.594 1.00 0.61 H new ATOM 0 HA VAL A 17 8.471 -2.044 -6.499 1.00 0.63 H new ATOM 0 HB VAL A 17 8.391 -0.379 -4.656 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.345 -1.093 -3.514 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.285 -1.418 -5.262 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.585 -2.749 -4.120 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.529 -1.140 -2.295 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.912 -2.785 -2.855 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.044 -1.450 -3.176 1.00 0.92 H new ATOM 287 N GLU A 18 10.580 -0.553 -5.901 1.00 0.68 N ATOM 288 CA GLU A 18 11.850 0.076 -5.710 1.00 0.74 C ATOM 289 C GLU A 18 11.641 1.216 -4.773 1.00 0.71 C ATOM 290 O GLU A 18 10.490 1.595 -4.562 1.00 0.74 O ATOM 291 CB GLU A 18 12.462 0.673 -6.988 1.00 0.88 C ATOM 292 CG GLU A 18 12.691 -0.425 -8.029 1.00 1.16 C ATOM 293 CD GLU A 18 13.909 -1.297 -7.764 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.734 -1.061 -6.843 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.050 -2.201 -8.630 1.00 2.33 O ATOM 0 H GLU A 18 9.883 0.044 -6.346 1.00 0.68 H new ATOM 0 HA GLU A 18 12.531 -0.694 -5.347 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.799 1.437 -7.395 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.407 1.163 -6.753 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.806 -1.060 -8.070 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.797 0.038 -9.010 1.00 1.16 H new ATOM 302 N PRO A 19 12.596 1.772 -4.089 1.00 0.74 N ATOM 303 CA PRO A 19 12.386 2.828 -3.142 1.00 0.74 C ATOM 304 C PRO A 19 11.899 4.082 -3.781 1.00 0.70 C ATOM 305 O PRO A 19 11.347 4.928 -3.079 1.00 0.74 O ATOM 306 CB PRO A 19 13.755 2.980 -2.484 1.00 0.86 C ATOM 307 CG PRO A 19 14.530 1.669 -2.687 1.00 0.95 C ATOM 308 CD PRO A 19 13.944 1.227 -4.037 1.00 0.82 C ATOM 0 HA PRO A 19 11.601 2.603 -2.420 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.299 3.816 -2.925 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.645 3.196 -1.421 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.608 1.823 -2.730 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.343 0.946 -1.893 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.547 1.600 -4.865 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.928 0.140 -4.118 1.00 0.82 H new ATOM 316 N SER A 20 12.238 4.231 -5.074 1.00 0.70 N ATOM 317 CA SER A 20 11.724 5.287 -5.891 1.00 0.74 C ATOM 318 C SER A 20 10.372 5.096 -6.486 1.00 0.71 C ATOM 319 O SER A 20 9.884 5.955 -7.217 1.00 0.80 O ATOM 320 CB SER A 20 12.620 5.402 -7.136 1.00 0.89 C ATOM 321 OG SER A 20 13.968 5.518 -6.707 1.00 1.45 O ATOM 0 H SER A 20 12.881 3.607 -5.561 1.00 0.70 H new ATOM 0 HA SER A 20 11.688 6.135 -5.208 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.499 4.526 -7.773 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.335 6.270 -7.730 1.00 0.89 H new ATOM 0 HG SER A 20 14.555 5.591 -7.488 1.00 1.45 H new ATOM 327 N ASP A 21 9.655 3.999 -6.181 1.00 0.70 N ATOM 328 CA ASP A 21 8.303 3.857 -6.626 1.00 0.73 C ATOM 329 C ASP A 21 7.410 4.721 -5.802 1.00 0.64 C ATOM 330 O ASP A 21 7.618 4.918 -4.606 1.00 0.66 O ATOM 331 CB ASP A 21 7.771 2.419 -6.511 1.00 0.87 C ATOM 332 CG ASP A 21 8.162 1.571 -7.713 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.385 1.324 -7.890 1.00 1.69 O ATOM 334 OD2 ASP A 21 7.282 1.146 -8.508 1.00 1.50 O ATOM 0 H ASP A 21 10.008 3.216 -5.631 1.00 0.70 H new ATOM 0 HA ASP A 21 8.303 4.144 -7.677 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.159 1.960 -5.602 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.685 2.440 -6.419 1.00 0.87 H new ATOM 339 N THR A 22 6.435 5.431 -6.398 1.00 0.63 N ATOM 340 CA THR A 22 5.504 6.226 -5.659 1.00 0.58 C ATOM 341 C THR A 22 4.489 5.401 -4.946 1.00 0.53 C ATOM 342 O THR A 22 4.298 4.219 -5.227 1.00 0.58 O ATOM 343 CB THR A 22 4.889 7.366 -6.415 1.00 0.63 C ATOM 344 OG1 THR A 22 4.350 6.925 -7.653 1.00 0.70 O ATOM 345 CG2 THR A 22 5.922 8.455 -6.752 1.00 0.75 C ATOM 0 H THR A 22 6.291 5.453 -7.408 1.00 0.63 H new ATOM 0 HA THR A 22 6.118 6.714 -4.902 1.00 0.58 H new ATOM 0 HB THR A 22 4.111 7.768 -5.765 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.953 7.686 -8.127 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.435 9.262 -7.299 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.350 8.849 -5.830 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.715 8.027 -7.366 1.00 0.75 H new ATOM 353 N ILE A 23 3.892 5.976 -3.887 1.00 0.51 N ATOM 354 CA ILE A 23 2.772 5.374 -3.233 1.00 0.48 C ATOM 355 C ILE A 23 1.613 5.091 -4.127 1.00 0.48 C ATOM 356 O ILE A 23 0.931 4.069 -4.066 1.00 0.51 O ATOM 357 CB ILE A 23 2.473 6.210 -2.024 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.573 6.309 -0.954 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.183 5.682 -1.372 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.993 5.008 -0.272 1.00 0.73 C ATOM 0 H ILE A 23 4.188 6.864 -3.481 1.00 0.51 H new ATOM 0 HA ILE A 23 3.020 4.363 -2.911 1.00 0.48 H new ATOM 0 HB ILE A 23 2.380 7.227 -2.405 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.456 6.751 -1.415 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.235 7.002 -0.184 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.950 6.279 -0.490 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.361 5.751 -2.084 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.323 4.641 -1.079 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.774 5.216 0.459 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.133 4.567 0.231 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.372 4.311 -1.020 1.00 0.73 H new ATOM 372 N GLU A 24 1.355 5.903 -5.166 1.00 0.50 N ATOM 373 CA GLU A 24 0.503 5.712 -6.298 1.00 0.53 C ATOM 374 C GLU A 24 0.928 4.512 -7.071 1.00 0.50 C ATOM 375 O GLU A 24 0.094 3.730 -7.526 1.00 0.55 O ATOM 376 CB GLU A 24 0.531 6.926 -7.243 1.00 0.64 C ATOM 377 CG GLU A 24 -0.553 6.880 -8.320 1.00 0.95 C ATOM 378 CD GLU A 24 -0.508 7.882 -9.467 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.334 8.820 -9.476 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.384 7.722 -10.357 1.00 1.62 O ATOM 0 H GLU A 24 1.808 6.816 -5.214 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.509 5.581 -5.914 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.412 7.837 -6.656 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.508 6.981 -7.723 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.539 5.881 -8.757 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.515 6.996 -7.821 1.00 0.95 H new ATOM 387 N ASN A 25 2.219 4.257 -7.349 1.00 0.51 N ATOM 388 CA ASN A 25 2.698 3.081 -8.008 1.00 0.52 C ATOM 389 C ASN A 25 2.482 1.882 -7.150 1.00 0.47 C ATOM 390 O ASN A 25 2.058 0.859 -7.682 1.00 0.53 O ATOM 391 CB ASN A 25 4.217 3.056 -8.248 1.00 0.64 C ATOM 392 CG ASN A 25 4.482 3.761 -9.570 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.569 4.343 -10.155 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.777 3.889 -9.963 1.00 1.57 N ATOM 0 H ASN A 25 2.967 4.905 -7.101 1.00 0.51 H new ATOM 0 HA ASN A 25 2.153 3.080 -8.952 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.742 3.556 -7.434 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.583 2.030 -8.280 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.012 4.479 -10.761 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.514 3.395 -9.460 1.00 1.57 H new ATOM 401 N VAL A 26 2.531 1.969 -5.808 1.00 0.45 N ATOM 402 CA VAL A 26 2.214 0.821 -5.016 1.00 0.44 C ATOM 403 C VAL A 26 0.772 0.511 -5.220 1.00 0.40 C ATOM 404 O VAL A 26 0.348 -0.623 -5.432 1.00 0.44 O ATOM 405 CB VAL A 26 2.601 0.924 -3.570 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.323 -0.440 -2.915 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.107 1.212 -3.449 1.00 0.62 C ATOM 0 H VAL A 26 2.782 2.807 -5.284 1.00 0.45 H new ATOM 0 HA VAL A 26 2.828 -0.012 -5.359 1.00 0.44 H new ATOM 0 HB VAL A 26 2.037 1.725 -3.091 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.594 -0.399 -1.860 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.264 -0.679 -3.008 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.914 -1.209 -3.412 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.380 1.285 -2.396 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.671 0.403 -3.915 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.339 2.152 -3.950 1.00 0.62 H new ATOM 417 N LYS A 27 -0.140 1.488 -5.067 1.00 0.40 N ATOM 418 CA LYS A 27 -1.541 1.269 -5.249 1.00 0.41 C ATOM 419 C LYS A 27 -1.859 0.787 -6.624 1.00 0.38 C ATOM 420 O LYS A 27 -2.712 -0.079 -6.816 1.00 0.42 O ATOM 421 CB LYS A 27 -2.388 2.528 -4.997 1.00 0.51 C ATOM 422 CG LYS A 27 -2.468 2.903 -3.516 1.00 0.76 C ATOM 423 CD LYS A 27 -3.210 4.212 -3.238 1.00 0.82 C ATOM 424 CE LYS A 27 -3.244 4.636 -1.769 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.973 5.908 -1.568 1.00 1.11 N ATOM 0 H LYS A 27 0.100 2.446 -4.813 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.794 0.509 -4.510 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.965 3.363 -5.556 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.395 2.365 -5.381 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.963 2.096 -2.975 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.456 2.980 -3.118 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.743 5.007 -3.819 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.235 4.114 -3.596 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.717 3.852 -1.178 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.224 4.742 -1.400 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.532 6.442 -0.792 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.935 6.472 -2.441 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.965 5.706 -1.329 1.00 1.11 H new ATOM 439 N ALA A 28 -1.104 1.229 -7.644 1.00 0.39 N ATOM 440 CA ALA A 28 -1.143 0.750 -8.992 1.00 0.39 C ATOM 441 C ALA A 28 -0.714 -0.660 -9.213 1.00 0.36 C ATOM 442 O ALA A 28 -1.135 -1.245 -10.209 1.00 0.42 O ATOM 443 CB ALA A 28 -0.339 1.665 -9.931 1.00 0.51 C ATOM 0 H ALA A 28 -0.418 1.973 -7.518 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.208 0.771 -9.225 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.387 1.275 -10.948 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.759 2.670 -9.907 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.700 1.699 -9.604 1.00 0.51 H new ATOM 449 N LYS A 29 0.034 -1.354 -8.337 1.00 0.39 N ATOM 450 CA LYS A 29 0.392 -2.730 -8.488 1.00 0.43 C ATOM 451 C LYS A 29 -0.731 -3.539 -7.938 1.00 0.44 C ATOM 452 O LYS A 29 -0.798 -4.729 -8.241 1.00 0.54 O ATOM 453 CB LYS A 29 1.725 -3.004 -7.771 1.00 0.54 C ATOM 454 CG LYS A 29 2.940 -2.395 -8.474 1.00 0.65 C ATOM 455 CD LYS A 29 4.200 -2.544 -7.620 1.00 1.08 C ATOM 456 CE LYS A 29 5.222 -1.435 -7.876 1.00 1.24 C ATOM 457 NZ LYS A 29 5.865 -1.338 -9.206 1.00 1.44 N ATOM 0 H LYS A 29 0.406 -0.936 -7.484 1.00 0.39 H new ATOM 0 HA LYS A 29 0.545 -2.998 -9.533 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.669 -2.610 -6.756 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.867 -4.081 -7.687 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.090 -2.883 -9.437 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.756 -1.340 -8.676 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.922 -2.540 -6.566 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.660 -3.511 -7.825 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.729 -0.483 -7.680 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.015 -1.542 -7.135 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.477 -0.497 -9.235 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.438 -2.189 -9.378 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.133 -1.259 -9.941 1.00 1.44 H new ATOM 471 N ILE A 30 -1.600 -2.937 -7.107 1.00 0.41 N ATOM 472 CA ILE A 30 -2.678 -3.666 -6.511 1.00 0.44 C ATOM 473 C ILE A 30 -3.836 -3.630 -7.448 1.00 0.45 C ATOM 474 O ILE A 30 -4.597 -4.587 -7.577 1.00 0.56 O ATOM 475 CB ILE A 30 -2.936 -3.164 -5.121 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.620 -3.208 -4.326 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.970 -4.148 -4.549 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.782 -2.892 -2.839 1.00 1.32 C ATOM 0 H ILE A 30 -1.558 -1.951 -6.848 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.440 -4.720 -6.367 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.300 -2.137 -5.082 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.177 -4.198 -4.430 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.919 -2.498 -4.764 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.221 -3.859 -3.529 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.870 -4.128 -5.164 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.553 -5.155 -4.549 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.810 -2.943 -2.348 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.195 -1.890 -2.723 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.457 -3.617 -2.384 1.00 1.32 H new ATOM 490 N GLN A 31 -3.848 -2.592 -8.301 1.00 0.41 N ATOM 491 CA GLN A 31 -4.719 -2.583 -9.435 1.00 0.48 C ATOM 492 C GLN A 31 -4.496 -3.591 -10.510 1.00 0.52 C ATOM 493 O GLN A 31 -5.382 -4.302 -10.981 1.00 0.66 O ATOM 494 CB GLN A 31 -4.878 -1.171 -10.023 1.00 0.52 C ATOM 495 CG GLN A 31 -6.037 -1.011 -11.010 1.00 0.70 C ATOM 496 CD GLN A 31 -6.295 0.348 -11.645 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.379 0.912 -11.781 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.177 0.964 -12.115 1.00 1.43 N ATOM 0 H GLN A 31 -3.260 -1.764 -8.208 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.656 -2.920 -8.991 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.017 -0.466 -9.204 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.951 -0.896 -10.526 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.879 -1.725 -11.818 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.950 -1.310 -10.494 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.267 0.515 -12.013 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.249 1.875 -12.569 1.00 1.43 H new ATOM 507 N ASP A 32 -3.203 -3.744 -10.848 1.00 0.50 N ATOM 508 CA ASP A 32 -2.773 -4.831 -11.670 1.00 0.60 C ATOM 509 C ASP A 32 -3.094 -6.132 -11.019 1.00 0.65 C ATOM 510 O ASP A 32 -3.866 -6.909 -11.580 1.00 0.81 O ATOM 511 CB ASP A 32 -1.268 -4.691 -11.952 1.00 0.67 C ATOM 512 CG ASP A 32 -0.888 -5.283 -13.302 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.376 -4.732 -14.325 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.064 -6.232 -13.394 1.00 1.51 O ATOM 0 H ASP A 32 -2.456 -3.115 -10.552 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.304 -4.806 -12.622 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.990 -3.637 -11.926 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.703 -5.189 -11.165 1.00 0.67 H new ATOM 519 N LYS A 33 -2.551 -6.467 -9.835 1.00 0.62 N ATOM 520 CA LYS A 33 -2.801 -7.770 -9.301 1.00 0.73 C ATOM 521 C LYS A 33 -4.190 -8.046 -8.836 1.00 0.69 C ATOM 522 O LYS A 33 -4.860 -8.926 -9.373 1.00 0.83 O ATOM 523 CB LYS A 33 -1.681 -8.059 -8.287 1.00 0.85 C ATOM 524 CG LYS A 33 -1.769 -9.513 -7.820 1.00 1.31 C ATOM 525 CD LYS A 33 -0.750 -9.824 -6.722 1.00 1.71 C ATOM 526 CE LYS A 33 0.728 -9.766 -7.119 1.00 2.26 C ATOM 527 NZ LYS A 33 1.066 -10.812 -8.110 1.00 2.62 N ATOM 0 H LYS A 33 -1.960 -5.862 -9.265 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.762 -8.499 -10.111 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.708 -7.872 -8.742 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.768 -7.387 -7.433 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -2.774 -9.715 -7.450 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.602 -10.177 -8.668 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.910 -9.124 -5.902 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.960 -10.821 -6.336 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.956 -8.784 -7.533 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.349 -9.890 -6.232 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.074 -10.744 -8.357 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.871 -11.750 -7.705 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.491 -10.678 -8.966 1.00 2.62 H new ATOM 541 N GLU A 34 -4.709 -7.358 -7.805 1.00 0.63 N ATOM 542 CA GLU A 34 -5.956 -7.735 -7.216 1.00 0.67 C ATOM 543 C GLU A 34 -7.161 -7.142 -7.862 1.00 0.69 C ATOM 544 O GLU A 34 -8.278 -7.657 -7.863 1.00 0.95 O ATOM 545 CB GLU A 34 -5.924 -7.477 -5.701 1.00 0.73 C ATOM 546 CG GLU A 34 -4.892 -8.365 -5.002 1.00 0.83 C ATOM 547 CD GLU A 34 -5.334 -9.817 -4.910 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.429 -10.125 -4.368 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.583 -10.671 -5.454 1.00 1.37 O ATOM 0 H GLU A 34 -4.267 -6.543 -7.380 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.065 -8.804 -7.397 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.690 -6.429 -5.514 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.911 -7.663 -5.278 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.947 -8.311 -5.542 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.708 -7.981 -3.999 1.00 0.83 H new ATOM 556 N GLY A 35 -7.018 -5.906 -8.371 1.00 0.63 N ATOM 557 CA GLY A 35 -8.011 -5.305 -9.206 1.00 0.68 C ATOM 558 C GLY A 35 -8.710 -4.151 -8.572 1.00 0.76 C ATOM 559 O GLY A 35 -9.922 -3.948 -8.625 1.00 1.12 O ATOM 0 H GLY A 35 -6.203 -5.316 -8.201 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.541 -4.970 -10.131 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.749 -6.060 -9.479 1.00 0.68 H new ATOM 563 N ILE A 36 -7.942 -3.410 -7.755 1.00 0.70 N ATOM 564 CA ILE A 36 -8.546 -2.412 -6.927 1.00 0.76 C ATOM 565 C ILE A 36 -8.138 -1.102 -7.508 1.00 0.71 C ATOM 566 O ILE A 36 -6.965 -0.814 -7.738 1.00 0.73 O ATOM 567 CB ILE A 36 -8.227 -2.477 -5.463 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.590 -3.863 -4.905 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.025 -1.411 -4.693 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.026 -4.172 -3.518 1.00 1.16 C ATOM 0 H ILE A 36 -6.929 -3.496 -7.667 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.624 -2.576 -6.936 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.160 -2.295 -5.339 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.676 -3.949 -4.866 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.235 -4.622 -5.602 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.783 -1.471 -3.632 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.767 -0.421 -5.069 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.092 -1.585 -4.832 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.337 -5.171 -3.213 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.937 -4.125 -3.549 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.401 -3.441 -2.802 1.00 1.16 H new ATOM 582 N PRO A 37 -9.002 -0.210 -7.890 1.00 0.75 N ATOM 583 CA PRO A 37 -8.565 1.031 -8.463 1.00 0.79 C ATOM 584 C PRO A 37 -7.884 1.912 -7.475 1.00 0.75 C ATOM 585 O PRO A 37 -8.307 1.845 -6.322 1.00 0.75 O ATOM 586 CB PRO A 37 -9.802 1.656 -9.106 1.00 0.95 C ATOM 587 CG PRO A 37 -10.994 0.975 -8.416 1.00 1.02 C ATOM 588 CD PRO A 37 -10.448 -0.369 -7.910 1.00 0.85 C ATOM 0 HA PRO A 37 -7.794 0.871 -9.217 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.823 2.735 -8.956 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.817 1.484 -10.182 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.373 1.582 -7.593 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.821 0.828 -9.111 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.832 -0.601 -6.917 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.745 -1.187 -8.566 1.00 0.85 H new ATOM 596 N PRO A 38 -6.891 2.700 -7.763 1.00 0.81 N ATOM 597 CA PRO A 38 -6.122 3.425 -6.793 1.00 0.85 C ATOM 598 C PRO A 38 -6.821 4.496 -6.029 1.00 0.89 C ATOM 599 O PRO A 38 -6.429 4.809 -4.906 1.00 0.99 O ATOM 600 CB PRO A 38 -5.074 4.232 -7.558 1.00 1.01 C ATOM 601 CG PRO A 38 -4.724 3.266 -8.702 1.00 1.25 C ATOM 602 CD PRO A 38 -6.045 2.514 -8.933 1.00 0.98 C ATOM 0 HA PRO A 38 -5.789 2.652 -6.101 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.472 5.178 -7.926 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.207 4.469 -6.941 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.401 3.799 -9.596 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.916 2.588 -8.426 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.544 2.890 -9.826 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.854 1.454 -9.098 1.00 0.98 H new ATOM 610 N ASP A 39 -7.871 5.187 -6.508 1.00 0.96 N ATOM 611 CA ASP A 39 -8.720 6.045 -5.741 1.00 1.11 C ATOM 612 C ASP A 39 -9.392 5.422 -4.566 1.00 1.00 C ATOM 613 O ASP A 39 -9.776 6.060 -3.587 1.00 1.14 O ATOM 614 CB ASP A 39 -9.691 6.872 -6.600 1.00 1.39 C ATOM 615 CG ASP A 39 -10.824 6.109 -7.271 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.601 5.151 -8.058 1.00 2.23 O ATOM 617 OD2 ASP A 39 -11.947 6.657 -7.108 1.00 2.25 O ATOM 0 H ASP A 39 -8.143 5.144 -7.490 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.010 6.742 -5.296 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.128 7.647 -5.970 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -9.115 7.378 -7.375 1.00 1.39 H new ATOM 622 N GLN A 40 -9.696 4.119 -4.706 1.00 0.87 N ATOM 623 CA GLN A 40 -10.408 3.302 -3.773 1.00 0.84 C ATOM 624 C GLN A 40 -9.569 2.854 -2.626 1.00 0.67 C ATOM 625 O GLN A 40 -10.096 2.621 -1.540 1.00 0.80 O ATOM 626 CB GLN A 40 -11.196 2.207 -4.513 1.00 0.95 C ATOM 627 CG GLN A 40 -12.279 1.492 -3.702 1.00 1.32 C ATOM 628 CD GLN A 40 -12.731 0.283 -4.508 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.294 -0.856 -4.347 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.643 0.496 -5.494 1.00 2.02 N ATOM 0 H GLN A 40 -9.421 3.597 -5.538 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.163 3.909 -3.273 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.663 2.654 -5.390 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.489 1.460 -4.874 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.890 1.182 -2.732 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.118 2.160 -3.510 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.020 1.431 -5.647 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.950 -0.280 -6.081 1.00 2.02 H new ATOM 639 N GLN A 41 -8.235 2.764 -2.768 1.00 0.56 N ATOM 640 CA GLN A 41 -7.325 2.237 -1.799 1.00 0.51 C ATOM 641 C GLN A 41 -6.801 3.283 -0.877 1.00 0.49 C ATOM 642 O GLN A 41 -6.499 4.414 -1.251 1.00 0.65 O ATOM 643 CB GLN A 41 -6.161 1.691 -2.642 1.00 0.67 C ATOM 644 CG GLN A 41 -6.464 0.418 -3.434 1.00 0.69 C ATOM 645 CD GLN A 41 -5.206 -0.048 -4.152 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.142 -0.154 -3.542 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.284 -0.348 -5.476 1.00 0.61 N ATOM 0 H GLN A 41 -7.762 3.080 -3.615 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.815 1.495 -1.169 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.846 2.466 -3.340 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.317 1.495 -1.981 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.823 -0.363 -2.763 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.258 0.607 -4.156 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.172 -0.255 -5.968 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.454 -0.666 -5.977 1.00 0.61 H new ATOM 656 N ARG A 42 -6.523 2.894 0.381 1.00 0.47 N ATOM 657 CA ARG A 42 -5.702 3.652 1.273 1.00 0.55 C ATOM 658 C ARG A 42 -4.572 2.786 1.712 1.00 0.46 C ATOM 659 O ARG A 42 -4.812 1.617 2.011 1.00 0.52 O ATOM 660 CB ARG A 42 -6.379 3.962 2.620 1.00 0.73 C ATOM 661 CG ARG A 42 -7.726 4.666 2.444 1.00 1.04 C ATOM 662 CD ARG A 42 -8.581 4.699 3.712 1.00 1.28 C ATOM 663 NE ARG A 42 -9.836 5.413 3.343 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.969 5.326 4.099 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.904 4.874 5.384 1.00 2.34 N ATOM 666 NH2 ARG A 42 -12.143 5.795 3.582 1.00 2.78 N ATOM 0 H ARG A 42 -6.879 2.029 0.788 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.447 4.561 0.728 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.526 3.034 3.172 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.719 4.589 3.220 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.549 5.689 2.111 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.285 4.165 1.654 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.795 3.690 4.064 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.062 5.215 4.519 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.849 5.985 2.499 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.006 4.600 5.783 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.753 4.810 5.946 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -12.162 6.201 2.647 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -13.001 5.739 4.131 1.00 2.78 H new ATOM 680 N LEU A 43 -3.359 3.309 1.966 1.00 0.46 N ATOM 681 CA LEU A 43 -2.341 2.477 2.529 1.00 0.42 C ATOM 682 C LEU A 43 -1.854 3.031 3.824 1.00 0.43 C ATOM 683 O LEU A 43 -1.355 4.155 3.823 1.00 0.55 O ATOM 684 CB LEU A 43 -1.088 2.324 1.653 1.00 0.55 C ATOM 685 CG LEU A 43 -1.347 1.276 0.557 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.160 1.325 -0.420 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.409 -0.175 1.063 1.00 1.12 C ATOM 0 H LEU A 43 -3.088 4.276 1.789 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.829 1.508 2.637 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.830 3.281 1.201 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.239 2.021 2.266 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.314 1.524 0.120 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.311 0.592 -1.213 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.088 2.322 -0.856 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.761 1.096 0.115 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.595 -0.845 0.224 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.461 -0.437 1.534 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.215 -0.272 1.791 1.00 1.12 H new ATOM 699 N ILE A 44 -2.088 2.313 4.938 1.00 0.42 N ATOM 700 CA ILE A 44 -1.727 2.728 6.259 1.00 0.46 C ATOM 701 C ILE A 44 -0.526 1.994 6.748 1.00 0.42 C ATOM 702 O ILE A 44 -0.587 0.767 6.802 1.00 0.53 O ATOM 703 CB ILE A 44 -2.881 2.519 7.195 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.136 3.288 6.749 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.552 2.817 8.667 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.356 3.317 7.669 1.00 1.27 C ATOM 0 H ILE A 44 -2.549 1.403 4.917 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.479 3.789 6.226 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.095 1.452 7.139 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.840 4.320 6.563 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.455 2.871 5.794 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.436 2.643 9.280 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.746 2.163 8.999 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.241 3.857 8.767 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.149 3.901 7.203 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.707 2.299 7.840 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.083 3.771 8.621 1.00 1.27 H new ATOM 718 N PHE A 45 0.599 2.685 7.004 1.00 0.42 N ATOM 719 CA PHE A 45 1.701 2.056 7.662 1.00 0.46 C ATOM 720 C PHE A 45 1.816 2.716 8.993 1.00 0.68 C ATOM 721 O PHE A 45 1.626 3.925 9.118 1.00 1.50 O ATOM 722 CB PHE A 45 2.948 2.296 6.795 1.00 0.56 C ATOM 723 CG PHE A 45 4.321 2.013 7.301 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.776 0.716 7.312 1.00 1.19 C ATOM 725 CD2 PHE A 45 5.146 3.020 7.746 1.00 1.08 C ATOM 726 CE1 PHE A 45 6.069 0.398 7.656 1.00 1.33 C ATOM 727 CE2 PHE A 45 6.454 2.716 8.045 1.00 1.20 C ATOM 728 CZ PHE A 45 6.920 1.423 8.001 1.00 1.02 C ATOM 0 H PHE A 45 0.745 3.664 6.760 1.00 0.42 H new ATOM 0 HA PHE A 45 1.580 0.981 7.797 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.819 1.707 5.887 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.930 3.345 6.500 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.096 -0.079 7.042 1.00 1.19 H new ATOM 0 HD2 PHE A 45 4.775 4.028 7.858 1.00 1.08 H new ATOM 0 HE1 PHE A 45 6.407 -0.628 7.655 1.00 1.33 H new ATOM 0 HE2 PHE A 45 7.131 3.511 8.321 1.00 1.20 H new ATOM 0 HZ PHE A 45 7.953 1.212 8.237 1.00 1.02 H new ATOM 738 N ALA A 46 1.930 1.892 10.050 1.00 0.81 N ATOM 739 CA ALA A 46 2.208 2.308 11.390 1.00 0.96 C ATOM 740 C ALA A 46 0.969 2.761 12.081 1.00 0.97 C ATOM 741 O ALA A 46 0.680 2.305 13.186 1.00 1.21 O ATOM 742 CB ALA A 46 3.309 3.373 11.536 1.00 1.20 C ATOM 0 H ALA A 46 1.822 0.881 9.965 1.00 0.81 H new ATOM 0 HA ALA A 46 2.603 1.412 11.870 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.441 3.618 12.590 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.245 2.986 11.133 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.022 4.271 10.988 1.00 1.20 H new ATOM 748 N GLY A 47 0.125 3.545 11.384 1.00 0.99 N ATOM 749 CA GLY A 47 -1.026 4.168 11.961 1.00 1.10 C ATOM 750 C GLY A 47 -1.365 5.338 11.104 1.00 1.03 C ATOM 751 O GLY A 47 -2.363 5.961 11.465 1.00 1.30 O ATOM 0 H GLY A 47 0.247 3.751 10.392 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.861 3.469 12.006 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.821 4.486 12.983 1.00 1.10 H new ATOM 755 N LYS A 48 -0.581 5.715 10.078 1.00 0.98 N ATOM 756 CA LYS A 48 -0.802 6.873 9.268 1.00 1.05 C ATOM 757 C LYS A 48 -0.906 6.563 7.814 1.00 0.84 C ATOM 758 O LYS A 48 -0.305 5.640 7.266 1.00 0.81 O ATOM 759 CB LYS A 48 0.430 7.770 9.475 1.00 1.42 C ATOM 760 CG LYS A 48 1.747 7.375 8.806 1.00 1.61 C ATOM 761 CD LYS A 48 2.930 8.209 9.302 1.00 1.87 C ATOM 762 CE LYS A 48 4.280 7.915 8.642 1.00 2.22 C ATOM 763 NZ LYS A 48 5.329 8.866 9.071 1.00 2.55 N ATOM 0 H LYS A 48 0.246 5.187 9.800 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.745 7.335 9.560 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.171 8.771 9.130 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.612 7.839 10.547 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.945 6.320 8.996 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.652 7.492 7.726 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.695 9.263 9.151 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.032 8.056 10.376 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.590 6.899 8.888 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.171 7.961 7.558 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.226 8.630 8.600 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.047 9.833 8.813 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.453 8.804 10.102 1.00 2.55 H new ATOM 777 N GLN A 49 -1.776 7.275 7.078 1.00 0.84 N ATOM 778 CA GLN A 49 -1.942 7.224 5.658 1.00 0.80 C ATOM 779 C GLN A 49 -0.813 7.782 4.862 1.00 0.72 C ATOM 780 O GLN A 49 -0.184 8.779 5.209 1.00 0.83 O ATOM 781 CB GLN A 49 -3.217 7.939 5.178 1.00 1.03 C ATOM 782 CG GLN A 49 -4.558 7.305 5.551 1.00 1.67 C ATOM 783 CD GLN A 49 -5.794 7.938 4.928 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.320 7.404 3.952 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.266 9.071 5.513 1.00 2.48 N ATOM 0 H GLN A 49 -2.415 7.941 7.512 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.997 6.150 5.478 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.203 8.955 5.572 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.171 8.018 4.092 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.531 6.253 5.267 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.664 7.340 6.635 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.785 9.466 6.321 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.101 9.526 5.144 1.00 2.48 H new ATOM 794 N LEU A 50 -0.478 7.077 3.766 1.00 0.69 N ATOM 795 CA LEU A 50 0.624 7.384 2.908 1.00 0.66 C ATOM 796 C LEU A 50 0.045 8.121 1.750 1.00 0.72 C ATOM 797 O LEU A 50 -0.688 7.614 0.901 1.00 0.90 O ATOM 798 CB LEU A 50 1.469 6.151 2.544 1.00 0.65 C ATOM 799 CG LEU A 50 2.031 5.342 3.727 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.690 4.039 3.243 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.919 6.213 4.631 1.00 0.74 C ATOM 0 H LEU A 50 -1.000 6.254 3.464 1.00 0.69 H new ATOM 0 HA LEU A 50 1.360 8.013 3.408 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.860 5.486 1.932 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.304 6.478 1.924 1.00 0.65 H new ATOM 0 HG LEU A 50 1.205 5.026 4.365 1.00 0.64 H new ATOM 0 HD11 LEU A 50 3.078 3.488 4.099 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.951 3.429 2.723 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.508 4.276 2.563 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.299 5.611 5.456 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.755 6.604 4.052 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.333 7.042 5.027 1.00 0.74 H new ATOM 813 N GLU A 51 0.575 9.343 1.564 1.00 0.70 N ATOM 814 CA GLU A 51 0.267 10.207 0.466 1.00 0.76 C ATOM 815 C GLU A 51 0.819 9.779 -0.849 1.00 0.77 C ATOM 816 O GLU A 51 2.001 9.494 -1.036 1.00 1.23 O ATOM 817 CB GLU A 51 0.758 11.645 0.707 1.00 0.88 C ATOM 818 CG GLU A 51 0.149 12.113 2.030 1.00 1.35 C ATOM 819 CD GLU A 51 0.648 13.493 2.435 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.409 14.504 1.723 1.00 1.94 O ATOM 821 OE2 GLU A 51 1.160 13.633 3.578 1.00 1.89 O ATOM 0 H GLU A 51 1.251 9.748 2.211 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.821 10.155 0.417 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.847 11.678 0.751 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.452 12.298 -0.110 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.937 12.133 1.941 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.392 11.396 2.814 1.00 1.35 H new ATOM 828 N ASP A 52 -0.135 9.576 -1.775 1.00 0.66 N ATOM 829 CA ASP A 52 0.012 9.015 -3.082 1.00 0.65 C ATOM 830 C ASP A 52 1.179 9.533 -3.850 1.00 0.60 C ATOM 831 O ASP A 52 1.986 8.747 -4.345 1.00 0.62 O ATOM 832 CB ASP A 52 -1.295 9.134 -3.885 1.00 0.81 C ATOM 833 CG ASP A 52 -2.451 8.478 -3.142 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.936 9.104 -2.163 1.00 1.44 O ATOM 835 OD2 ASP A 52 -2.957 7.382 -3.499 1.00 1.56 O ATOM 0 H ASP A 52 -1.105 9.831 -1.587 1.00 0.66 H new ATOM 0 HA ASP A 52 0.230 7.959 -2.923 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.522 10.185 -4.064 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.171 8.664 -4.861 1.00 0.81 H new ATOM 840 N GLY A 53 1.338 10.857 -4.022 1.00 0.68 N ATOM 841 CA GLY A 53 2.476 11.484 -4.618 1.00 0.73 C ATOM 842 C GLY A 53 3.713 11.635 -3.801 1.00 0.72 C ATOM 843 O GLY A 53 4.434 12.631 -3.816 1.00 0.97 O ATOM 0 H GLY A 53 0.630 11.529 -3.727 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.736 10.918 -5.512 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.173 12.478 -4.947 1.00 0.73 H new ATOM 847 N ARG A 54 4.086 10.632 -2.986 1.00 0.64 N ATOM 848 CA ARG A 54 5.345 10.532 -2.317 1.00 0.63 C ATOM 849 C ARG A 54 5.926 9.214 -2.698 1.00 0.59 C ATOM 850 O ARG A 54 5.284 8.366 -3.318 1.00 0.62 O ATOM 851 CB ARG A 54 5.246 10.616 -0.784 1.00 0.69 C ATOM 852 CG ARG A 54 4.717 11.982 -0.342 1.00 0.82 C ATOM 853 CD ARG A 54 5.610 13.185 -0.648 1.00 1.18 C ATOM 854 NE ARG A 54 4.968 14.452 -0.198 1.00 1.50 N ATOM 855 CZ ARG A 54 5.281 15.682 -0.701 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.322 15.786 -1.578 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.441 16.755 -0.639 1.00 2.49 N ATOM 0 H ARG A 54 3.471 9.844 -2.783 1.00 0.64 H new ATOM 0 HA ARG A 54 5.963 11.377 -2.620 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.587 9.830 -0.415 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.227 10.442 -0.343 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.749 12.144 -0.817 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.543 11.950 0.733 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.573 13.064 -0.151 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.808 13.233 -1.719 1.00 1.18 H new ATOM 0 HE ARG A 54 4.253 14.397 0.528 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.849 14.954 -1.845 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.573 16.695 -1.966 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.525 16.661 -0.199 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.729 17.651 -1.032 1.00 2.49 H new ATOM 871 N THR A 55 7.217 8.987 -2.396 1.00 0.63 N ATOM 872 CA THR A 55 7.809 7.690 -2.508 1.00 0.61 C ATOM 873 C THR A 55 7.881 6.896 -1.249 1.00 0.59 C ATOM 874 O THR A 55 7.533 7.381 -0.174 1.00 0.64 O ATOM 875 CB THR A 55 9.189 7.672 -3.094 1.00 0.68 C ATOM 876 OG1 THR A 55 10.152 8.469 -2.419 1.00 0.75 O ATOM 877 CG2 THR A 55 8.963 8.233 -4.508 1.00 0.76 C ATOM 0 H THR A 55 7.857 9.711 -2.071 1.00 0.63 H new ATOM 0 HA THR A 55 7.097 7.226 -3.191 1.00 0.61 H new ATOM 0 HB THR A 55 9.606 6.667 -3.037 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.970 8.520 -2.957 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.913 8.269 -5.041 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.268 7.590 -5.048 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.548 9.238 -4.438 1.00 0.76 H new ATOM 885 N LEU A 56 8.348 5.636 -1.324 1.00 0.58 N ATOM 886 CA LEU A 56 8.612 4.724 -0.255 1.00 0.59 C ATOM 887 C LEU A 56 9.842 5.136 0.480 1.00 0.64 C ATOM 888 O LEU A 56 10.113 4.907 1.658 1.00 0.70 O ATOM 889 CB LEU A 56 8.693 3.318 -0.871 1.00 0.60 C ATOM 890 CG LEU A 56 7.450 2.780 -1.601 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.870 1.892 -2.785 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.592 1.871 -0.705 1.00 1.03 C ATOM 0 H LEU A 56 8.562 5.216 -2.229 1.00 0.58 H new ATOM 0 HA LEU A 56 7.820 4.725 0.494 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.525 3.309 -1.575 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.942 2.617 -0.074 1.00 0.60 H new ATOM 0 HG LEU A 56 6.887 3.661 -1.910 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.981 1.518 -3.293 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.468 2.477 -3.484 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.459 1.051 -2.418 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.727 1.518 -1.267 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.186 1.017 -0.378 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.254 2.433 0.166 1.00 1.03 H new ATOM 904 N SER A 57 10.720 5.910 -0.183 1.00 0.68 N ATOM 905 CA SER A 57 11.941 6.554 0.190 1.00 0.75 C ATOM 906 C SER A 57 11.811 7.817 0.971 1.00 0.76 C ATOM 907 O SER A 57 12.428 7.984 2.022 1.00 0.84 O ATOM 908 CB SER A 57 12.858 6.748 -1.030 1.00 0.84 C ATOM 909 OG SER A 57 14.184 7.032 -0.609 1.00 1.19 O ATOM 0 H SER A 57 10.527 6.116 -1.163 1.00 0.68 H new ATOM 0 HA SER A 57 12.399 5.859 0.894 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.849 5.849 -1.647 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.483 7.563 -1.649 1.00 0.84 H new ATOM 0 HG SER A 57 14.758 7.152 -1.394 1.00 1.19 H new ATOM 915 N ASP A 58 10.842 8.659 0.571 1.00 0.75 N ATOM 916 CA ASP A 58 10.395 9.801 1.306 1.00 0.78 C ATOM 917 C ASP A 58 9.793 9.409 2.613 1.00 0.77 C ATOM 918 O ASP A 58 10.001 10.005 3.668 1.00 0.86 O ATOM 919 CB ASP A 58 9.321 10.625 0.577 1.00 0.83 C ATOM 920 CG ASP A 58 9.823 11.140 -0.765 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.899 11.789 -0.855 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.040 11.047 -1.749 1.00 1.90 O ATOM 0 H ASP A 58 10.345 8.537 -0.311 1.00 0.75 H new ATOM 0 HA ASP A 58 11.296 10.401 1.434 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.434 10.011 0.423 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.022 11.467 1.201 1.00 0.83 H new ATOM 927 N TYR A 59 9.133 8.242 2.714 1.00 0.72 N ATOM 928 CA TYR A 59 8.559 7.786 3.943 1.00 0.73 C ATOM 929 C TYR A 59 9.478 6.906 4.721 1.00 0.76 C ATOM 930 O TYR A 59 9.124 6.601 5.858 1.00 0.89 O ATOM 931 CB TYR A 59 7.208 7.075 3.764 1.00 0.73 C ATOM 932 CG TYR A 59 6.102 8.050 3.545 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.682 8.834 4.593 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.346 8.077 2.397 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.577 9.645 4.481 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.250 8.892 2.236 1.00 0.70 C ATOM 937 CZ TYR A 59 3.826 9.610 3.330 1.00 0.74 C ATOM 938 OH TYR A 59 2.725 10.490 3.270 1.00 0.86 O ATOM 0 H TYR A 59 8.995 7.604 1.930 1.00 0.72 H new ATOM 0 HA TYR A 59 8.386 8.702 4.509 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.265 6.392 2.917 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.993 6.472 4.646 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.231 8.813 5.523 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.627 7.426 1.582 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.301 10.304 5.291 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.741 8.966 1.286 1.00 0.70 H new ATOM 0 HH TYR A 59 2.908 11.199 2.618 1.00 0.86 H new ATOM 948 N ASN A 60 10.705 6.594 4.269 1.00 0.74 N ATOM 949 CA ASN A 60 11.623 5.676 4.868 1.00 0.79 C ATOM 950 C ASN A 60 11.077 4.343 5.248 1.00 0.75 C ATOM 951 O ASN A 60 11.095 3.903 6.398 1.00 0.86 O ATOM 952 CB ASN A 60 12.449 6.268 6.022 1.00 0.95 C ATOM 953 CG ASN A 60 13.316 7.449 5.610 1.00 1.25 C ATOM 954 OD1 ASN A 60 14.532 7.286 5.518 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.735 8.638 5.295 1.00 1.83 N ATOM 0 H ASN A 60 11.083 7.016 3.421 1.00 0.74 H new ATOM 0 HA ASN A 60 12.295 5.487 4.031 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.773 6.584 6.816 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.087 5.488 6.438 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.310 9.417 4.975 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.725 8.750 5.379 1.00 1.83 H new ATOM 962 N ILE A 61 10.458 3.696 4.245 1.00 0.67 N ATOM 963 CA ILE A 61 9.898 2.381 4.229 1.00 0.65 C ATOM 964 C ILE A 61 10.898 1.452 3.633 1.00 0.66 C ATOM 965 O ILE A 61 11.532 1.774 2.630 1.00 0.75 O ATOM 966 CB ILE A 61 8.610 2.298 3.464 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.597 3.085 4.313 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.216 0.824 3.279 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.313 3.356 3.530 1.00 0.82 C ATOM 0 H ILE A 61 10.338 4.152 3.340 1.00 0.67 H new ATOM 0 HA ILE A 61 9.664 2.105 5.257 1.00 0.65 H new ATOM 0 HB ILE A 61 8.670 2.716 2.459 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.363 2.524 5.218 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.040 4.030 4.629 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.280 0.765 2.723 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.999 0.304 2.727 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.089 0.356 4.255 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.616 3.914 4.156 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.546 3.938 2.639 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.859 2.409 3.236 1.00 0.82 H new ATOM 981 N GLN A 62 11.171 0.333 4.328 1.00 0.67 N ATOM 982 CA GLN A 62 12.243 -0.505 3.886 1.00 0.70 C ATOM 983 C GLN A 62 11.835 -1.745 3.170 1.00 0.62 C ATOM 984 O GLN A 62 10.633 -1.959 3.023 1.00 0.64 O ATOM 985 CB GLN A 62 13.142 -0.807 5.097 1.00 0.85 C ATOM 986 CG GLN A 62 13.934 0.430 5.526 1.00 1.27 C ATOM 987 CD GLN A 62 14.766 0.248 6.787 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.984 0.083 6.857 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.035 0.080 7.922 1.00 2.16 N ATOM 0 H GLN A 62 10.674 0.017 5.161 1.00 0.67 H new ATOM 0 HA GLN A 62 12.789 0.047 3.121 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.530 -1.156 5.929 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.831 -1.614 4.848 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.595 0.722 4.710 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.238 1.254 5.682 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.023 0.209 7.901 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.499 -0.175 8.794 1.00 2.16 H new ATOM 998 N LYS A 63 12.752 -2.702 2.937 1.00 0.64 N ATOM 999 CA LYS A 63 12.389 -4.053 2.643 1.00 0.62 C ATOM 1000 C LYS A 63 11.515 -4.684 3.672 1.00 0.59 C ATOM 1001 O LYS A 63 11.694 -4.499 4.874 1.00 0.66 O ATOM 1002 CB LYS A 63 13.700 -4.781 2.301 1.00 0.74 C ATOM 1003 CG LYS A 63 14.708 -4.874 3.447 1.00 0.89 C ATOM 1004 CD LYS A 63 15.740 -5.967 3.166 1.00 1.11 C ATOM 1005 CE LYS A 63 16.827 -5.471 2.209 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.403 -4.142 2.512 1.00 2.12 N ATOM 0 H LYS A 63 13.758 -2.535 2.953 1.00 0.64 H new ATOM 0 HA LYS A 63 11.724 -4.115 1.781 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.460 -5.790 1.966 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.173 -4.270 1.462 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.211 -3.915 3.575 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.187 -5.089 4.380 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.196 -6.289 4.102 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.244 -6.837 2.737 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.636 -6.202 2.200 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.411 -5.443 1.202 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.409 -4.131 2.248 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 16.896 -3.412 1.972 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.310 -3.947 3.529 1.00 2.12 H new ATOM 1020 N GLU A 64 10.507 -5.465 3.244 1.00 0.57 N ATOM 1021 CA GLU A 64 9.705 -6.220 4.156 1.00 0.58 C ATOM 1022 C GLU A 64 8.925 -5.524 5.218 1.00 0.56 C ATOM 1023 O GLU A 64 8.913 -5.866 6.400 1.00 0.70 O ATOM 1024 CB GLU A 64 10.409 -7.434 4.786 1.00 0.72 C ATOM 1025 CG GLU A 64 10.714 -8.510 3.742 1.00 0.96 C ATOM 1026 CD GLU A 64 11.512 -9.697 4.264 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.727 -9.777 5.503 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.012 -10.550 3.482 1.00 1.69 O ATOM 0 H GLU A 64 10.247 -5.574 2.264 1.00 0.57 H new ATOM 0 HA GLU A 64 8.958 -6.530 3.425 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.336 -7.112 5.260 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.779 -7.855 5.570 1.00 0.72 H new ATOM 0 HG2 GLU A 64 9.773 -8.875 3.331 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.265 -8.053 2.920 1.00 0.96 H new ATOM 1035 N SER A 65 8.139 -4.530 4.768 1.00 0.51 N ATOM 1036 CA SER A 65 7.329 -3.591 5.480 1.00 0.51 C ATOM 1037 C SER A 65 5.898 -3.995 5.379 1.00 0.43 C ATOM 1038 O SER A 65 5.535 -4.552 4.344 1.00 0.50 O ATOM 1039 CB SER A 65 7.553 -2.155 4.977 1.00 0.65 C ATOM 1040 OG SER A 65 7.531 -2.086 3.559 1.00 1.04 O ATOM 0 H SER A 65 8.065 -4.367 3.764 1.00 0.51 H new ATOM 0 HA SER A 65 7.621 -3.598 6.530 1.00 0.51 H new ATOM 0 HB2 SER A 65 6.782 -1.502 5.385 1.00 0.65 H new ATOM 0 HB3 SER A 65 8.510 -1.786 5.345 1.00 0.65 H new ATOM 0 HG SER A 65 8.433 -1.894 3.227 1.00 1.04 H new ATOM 1046 N THR A 66 5.100 -3.977 6.460 1.00 0.45 N ATOM 1047 CA THR A 66 3.749 -4.438 6.357 1.00 0.45 C ATOM 1048 C THR A 66 2.940 -3.204 6.152 1.00 0.43 C ATOM 1049 O THR A 66 2.735 -2.399 7.059 1.00 0.58 O ATOM 1050 CB THR A 66 3.239 -5.111 7.597 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.782 -6.423 7.591 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.726 -5.371 7.505 1.00 0.78 C ATOM 0 H THR A 66 5.379 -3.652 7.386 1.00 0.45 H new ATOM 0 HA THR A 66 3.685 -5.176 5.557 1.00 0.45 H new ATOM 0 HB THR A 66 3.491 -4.489 8.456 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.478 -6.907 8.387 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.385 -5.860 8.418 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.201 -4.424 7.382 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.519 -6.014 6.650 1.00 0.78 H new ATOM 1060 N LEU A 67 2.439 -3.017 4.918 1.00 0.38 N ATOM 1061 CA LEU A 67 1.487 -1.978 4.677 1.00 0.38 C ATOM 1062 C LEU A 67 0.167 -2.655 4.816 1.00 0.37 C ATOM 1063 O LEU A 67 -0.104 -3.810 4.488 1.00 0.50 O ATOM 1064 CB LEU A 67 1.616 -1.291 3.308 1.00 0.46 C ATOM 1065 CG LEU A 67 3.073 -0.935 2.964 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.209 -0.412 1.523 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.860 -0.035 3.932 1.00 1.31 C ATOM 0 H LEU A 67 2.687 -3.574 4.100 1.00 0.38 H new ATOM 0 HA LEU A 67 1.639 -1.158 5.379 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.213 -1.947 2.536 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.012 -0.384 3.302 1.00 0.46 H new ATOM 0 HG LEU A 67 3.558 -1.904 3.081 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.253 -0.172 1.320 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.870 -1.177 0.825 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.601 0.484 1.402 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.868 0.121 3.546 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.355 0.926 4.027 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.916 -0.513 4.910 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.780 -1.857 5.339 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.125 -2.308 5.521 1.00 0.37 C ATOM 1081 C HIS A 68 -2.988 -1.565 4.559 1.00 0.35 C ATOM 1082 O HIS A 68 -3.173 -0.357 4.694 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.625 -1.997 6.941 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.825 -2.661 8.022 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.594 -2.193 8.434 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.145 -3.668 8.879 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.274 -2.877 9.565 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.167 -3.809 9.843 1.00 1.51 N ATOM 0 H HIS A 68 -0.614 -0.896 5.637 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.163 -3.385 5.361 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.603 -0.918 7.096 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.665 -2.310 7.027 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.038 -4.272 8.814 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.604 -2.682 10.163 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.140 -4.486 10.605 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.640 -2.318 3.657 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.561 -1.777 2.705 1.00 0.38 C ATOM 1098 C LEU A 69 -5.910 -1.689 3.331 1.00 0.41 C ATOM 1099 O LEU A 69 -6.476 -2.649 3.851 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.678 -2.724 1.499 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.531 -2.240 0.315 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.927 -0.981 -0.330 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.761 -3.381 -0.690 1.00 1.14 C ATOM 0 H LEU A 69 -3.525 -3.329 3.587 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.206 -0.796 2.389 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.673 -2.931 1.131 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.090 -3.670 1.849 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.513 -1.947 0.687 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.553 -0.663 -1.164 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.876 -0.182 0.410 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -3.924 -1.204 -0.694 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.367 -3.018 -1.520 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.801 -3.732 -1.068 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.279 -4.203 -0.195 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.436 -0.456 3.434 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.765 -0.135 3.854 1.00 0.56 C ATOM 1117 C VAL A 70 -8.501 0.393 2.671 1.00 0.55 C ATOM 1118 O VAL A 70 -8.095 1.289 1.933 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.765 0.853 4.982 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.129 1.220 5.591 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.904 0.173 6.060 1.00 0.97 C ATOM 0 H VAL A 70 -5.892 0.377 3.207 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.258 -1.029 4.234 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.403 1.808 4.601 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.986 1.942 6.395 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.766 1.656 4.821 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.603 0.323 5.989 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.840 0.819 6.936 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.358 -0.777 6.342 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.903 -0.006 5.667 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.709 -0.089 2.327 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.451 0.360 1.190 1.00 0.84 C ATOM 1133 C LEU A 71 -11.568 1.232 1.650 1.00 0.85 C ATOM 1134 O LEU A 71 -12.089 1.109 2.757 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.029 -0.774 0.326 1.00 1.26 C ATOM 1136 CG LEU A 71 -9.978 -1.854 0.013 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.553 -2.922 -0.934 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -8.747 -1.235 -0.670 1.00 2.78 C ATOM 0 H LEU A 71 -10.186 -0.817 2.859 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.746 0.902 0.560 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.874 -1.229 0.843 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.412 -0.360 -0.607 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.694 -2.309 0.962 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.791 -3.674 -1.140 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.415 -3.398 -0.466 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.861 -2.452 -1.868 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.017 -2.016 -0.882 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.049 -0.758 -1.602 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.301 -0.491 -0.010 1.00 2.78 H new