USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= 2.37 (180deg=2.14) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) 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 USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.23) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.114 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= 0.527 K(o=0.53,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 0.819 (180deg=0.484) USER MOD Single : A 29 LYS NZ :NH3+ -121:sc= 0.559 (180deg=-0.0612) USER MOD Single : A 31 GLN : amide:sc= -0.797 X(o=-0.8,f=-0.46) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 41 GLN : amide:sc= 0.784 K(o=0.78,f=-6.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00992 X(o=-0.0099,f=0) USER MOD Single : A 55 THR OG1 : rot -170:sc= 0.119 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.776 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00722 X(o=-0.0072,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 76:sc= 1.2 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=-0.003) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.962 -7.293 -4.613 1.00 9.67 N ATOM 2 CA MET A 1 11.778 -7.600 -3.192 1.00 10.38 C ATOM 3 C MET A 1 10.361 -7.891 -2.725 1.00 9.62 C ATOM 4 O MET A 1 9.418 -7.590 -3.485 1.00 9.62 O ATOM 5 CB MET A 1 12.370 -6.475 -2.304 1.00 13.77 C ATOM 6 CG MET A 1 11.514 -5.201 -2.073 1.00 16.29 C ATOM 7 SD MET A 1 12.350 -3.978 -1.014 1.00 17.17 S ATOM 8 CE MET A 1 11.059 -2.765 -1.216 1.00 16.11 C ATOM 0 H1 MET A 1 12.949 -7.479 -4.883 1.00 9.67 H new ATOM 0 H2 MET A 1 11.329 -7.890 -5.182 1.00 9.67 H new ATOM 0 H3 MET A 1 11.739 -6.291 -4.783 1.00 9.67 H new ATOM 0 HA MET A 1 12.316 -8.541 -3.078 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.598 -6.905 -1.329 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.317 -6.165 -2.745 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.282 -4.745 -3.035 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.565 -5.483 -1.617 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.312 -1.867 -0.652 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.958 -2.514 -2.272 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.117 -3.172 -0.848 1.00 16.11 H new ATOM 20 N GLN A 2 10.161 -8.423 -1.515 1.00 9.27 N ATOM 21 CA GLN A 2 8.801 -8.878 -1.104 1.00 9.07 C ATOM 22 C GLN A 2 8.357 -8.025 0.045 1.00 8.72 C ATOM 23 O GLN A 2 9.148 -7.825 0.999 1.00 8.22 O ATOM 24 CB GLN A 2 8.704 -10.362 -0.792 1.00 14.46 C ATOM 25 CG GLN A 2 7.328 -10.905 -0.431 1.00 17.01 C ATOM 26 CD GLN A 2 7.260 -12.422 -0.385 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.318 -13.059 0.659 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.120 -12.917 -1.614 1.00 19.49 N ATOM 0 H GLN A 2 10.889 -8.553 -0.812 1.00 9.27 H new ATOM 0 HA GLN A 2 8.129 -8.753 -1.953 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.070 -10.915 -1.658 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.381 -10.579 0.034 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.034 -10.508 0.541 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.602 -10.540 -1.157 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.083 -12.288 -2.416 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.049 -13.925 -1.753 1.00 19.49 H new ATOM 37 N ILE A 3 7.126 -7.478 -0.038 1.00 5.87 N ATOM 38 CA ILE A 3 6.584 -6.746 1.115 1.00 5.07 C ATOM 39 C ILE A 3 5.244 -7.333 1.518 1.00 4.01 C ATOM 40 O ILE A 3 4.726 -8.062 0.690 1.00 4.61 O ATOM 41 CB ILE A 3 6.450 -5.237 0.996 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.486 -4.914 -0.253 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.808 -4.597 0.942 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.355 -3.424 -0.313 1.00 10.83 C ATOM 0 H ILE A 3 6.516 -7.527 -0.854 1.00 5.87 H new ATOM 0 HA ILE A 3 7.352 -6.884 1.876 1.00 5.07 H new ATOM 0 HB ILE A 3 5.978 -4.798 1.875 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.907 -5.304 -1.179 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.511 -5.384 -0.123 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.698 -3.516 0.857 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.359 -4.835 1.852 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.354 -4.975 0.078 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.708 -3.149 -1.146 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.922 -3.059 0.618 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.339 -2.978 -0.455 1.00 10.83 H new ATOM 56 N PHE A 4 4.556 -6.914 2.651 1.00 4.55 N ATOM 57 CA PHE A 4 3.317 -7.553 2.931 1.00 4.68 C ATOM 58 C PHE A 4 2.280 -6.486 3.269 1.00 5.30 C ATOM 59 O PHE A 4 2.459 -5.676 4.160 1.00 5.58 O ATOM 60 CB PHE A 4 3.406 -8.443 4.222 1.00 4.83 C ATOM 61 CG PHE A 4 4.590 -9.418 4.234 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.596 -10.518 3.425 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.766 -9.115 4.956 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.676 -11.446 3.425 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.872 -9.950 4.908 1.00 10.61 C ATOM 66 CZ PHE A 4 6.815 -11.139 4.160 1.00 8.90 C ATOM 0 H PHE A 4 4.854 -6.190 3.305 1.00 4.55 H new ATOM 0 HA PHE A 4 3.061 -8.153 2.058 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.477 -7.793 5.094 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.481 -9.011 4.322 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.757 -10.689 2.766 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.804 -8.218 5.556 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.612 -12.368 2.866 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.773 -9.688 5.443 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.657 -11.815 4.157 1.00 8.90 H new ATOM 76 N VAL A 5 1.175 -6.536 2.512 1.00 4.44 N ATOM 77 CA VAL A 5 0.048 -5.686 2.796 1.00 3.87 C ATOM 78 C VAL A 5 -0.913 -6.546 3.596 1.00 4.93 C ATOM 79 O VAL A 5 -1.287 -7.653 3.283 1.00 6.84 O ATOM 80 CB VAL A 5 -0.538 -5.107 1.568 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.988 -4.634 1.760 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.322 -3.885 1.165 1.00 9.13 C ATOM 0 H VAL A 5 1.053 -7.155 1.710 1.00 4.44 H new ATOM 0 HA VAL A 5 0.332 -4.805 3.372 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.548 -5.884 0.803 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.362 -4.219 0.824 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.610 -5.478 2.057 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -2.021 -3.868 2.535 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.086 -3.435 0.260 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.312 -3.151 1.971 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.347 -4.207 0.980 1.00 9.13 H new ATOM 92 N LYS A 6 -1.276 -5.961 4.790 1.00 6.04 N ATOM 93 CA LYS A 6 -2.086 -6.643 5.785 1.00 6.12 C ATOM 94 C LYS A 6 -3.247 -5.716 6.187 1.00 6.57 C ATOM 95 O LYS A 6 -3.088 -4.496 6.384 1.00 5.76 O ATOM 96 CB LYS A 6 -1.127 -7.037 6.956 1.00 7.45 C ATOM 97 CG LYS A 6 -1.782 -7.876 8.042 1.00 11.12 C ATOM 98 CD LYS A 6 -0.824 -8.009 9.195 1.00 14.54 C ATOM 99 CE LYS A 6 -1.316 -8.907 10.351 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.293 -8.993 11.427 1.00 20.55 N ATOM 0 H LYS A 6 -1.004 -5.015 5.057 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.551 -7.559 5.422 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.280 -7.588 6.547 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.728 -6.128 7.406 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.709 -7.408 8.373 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.043 -8.860 7.653 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.119 -8.408 8.821 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.615 -7.015 9.591 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.245 -8.507 10.758 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.537 -9.905 9.973 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.645 -9.602 12.193 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.584 -9.396 11.040 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.102 -8.042 11.801 1.00 20.55 H new ATOM 114 N THR A 7 -4.466 -6.237 6.322 1.00 7.41 N ATOM 115 CA THR A 7 -5.607 -5.455 6.698 1.00 7.48 C ATOM 116 C THR A 7 -5.840 -5.690 8.196 1.00 8.75 C ATOM 117 O THR A 7 -5.232 -6.640 8.751 1.00 8.58 O ATOM 118 CB THR A 7 -6.843 -5.878 5.906 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.139 -7.274 6.086 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.520 -5.764 4.405 1.00 9.17 C ATOM 0 H THR A 7 -4.674 -7.224 6.169 1.00 7.41 H new ATOM 0 HA THR A 7 -5.429 -4.401 6.486 1.00 7.48 H new ATOM 0 HB THR A 7 -7.668 -5.250 6.242 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.936 -7.509 5.567 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.391 -6.062 3.822 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.259 -4.733 4.166 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.681 -6.416 4.163 1.00 9.17 H new ATOM 128 N LEU A 8 -6.642 -4.850 8.852 1.00 9.84 N ATOM 129 CA LEU A 8 -7.086 -4.965 10.258 1.00 14.15 C ATOM 130 C LEU A 8 -7.772 -6.267 10.785 1.00 17.37 C ATOM 131 O LEU A 8 -7.369 -6.759 11.801 1.00 17.01 O ATOM 132 CB LEU A 8 -7.999 -3.783 10.607 1.00 16.63 C ATOM 133 CG LEU A 8 -7.308 -2.408 10.418 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.280 -1.210 10.525 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.124 -2.238 11.363 1.00 18.59 C ATOM 0 H LEU A 8 -7.026 -4.021 8.398 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.121 -4.985 10.765 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.892 -3.824 9.983 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.329 -3.879 11.642 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.933 -2.407 9.395 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.729 -0.280 10.383 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.050 -1.296 9.758 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.747 -1.208 11.510 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.666 -1.262 11.200 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.469 -2.310 12.395 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.390 -3.020 11.171 1.00 18.59 H new ATOM 147 N THR A 9 -8.806 -6.828 10.064 1.00 18.33 N ATOM 148 CA THR A 9 -9.423 -8.039 10.457 1.00 19.24 C ATOM 149 C THR A 9 -8.357 -9.177 10.519 1.00 19.48 C ATOM 150 O THR A 9 -8.457 -10.045 11.379 1.00 23.14 O ATOM 151 CB THR A 9 -10.619 -8.399 9.558 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.301 -8.298 8.152 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.740 -7.390 9.909 1.00 19.70 C ATOM 0 H THR A 9 -9.192 -6.418 9.213 1.00 18.33 H new ATOM 0 HA THR A 9 -9.839 -7.909 11.456 1.00 19.24 H new ATOM 0 HB THR A 9 -10.915 -9.433 9.734 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.089 -8.537 7.620 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.620 -7.597 9.299 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.999 -7.486 10.963 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.392 -6.376 9.712 1.00 19.70 H new ATOM 161 N GLY A 10 -7.389 -9.162 9.591 1.00 19.43 N ATOM 162 CA GLY A 10 -6.223 -10.097 9.695 1.00 18.74 C ATOM 163 C GLY A 10 -5.433 -10.380 8.430 1.00 17.62 C ATOM 164 O GLY A 10 -4.232 -10.534 8.457 1.00 19.74 O ATOM 0 H GLY A 10 -7.373 -8.542 8.781 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.535 -9.694 10.438 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.589 -11.048 10.082 1.00 18.74 H new ATOM 168 N LYS A 11 -6.146 -10.399 7.249 1.00 13.56 N ATOM 169 CA LYS A 11 -5.605 -10.978 6.034 1.00 11.91 C ATOM 170 C LYS A 11 -4.332 -10.347 5.520 1.00 10.18 C ATOM 171 O LYS A 11 -4.259 -9.155 5.240 1.00 9.10 O ATOM 172 CB LYS A 11 -6.636 -10.862 4.865 1.00 13.43 C ATOM 173 CG LYS A 11 -6.229 -11.646 3.609 1.00 16.69 C ATOM 174 CD LYS A 11 -7.202 -11.398 2.405 1.00 17.92 C ATOM 175 CE LYS A 11 -6.661 -12.238 1.240 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.494 -12.084 0.076 1.00 21.93 N ATOM 0 H LYS A 11 -7.086 -10.015 7.148 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.386 -12.006 6.323 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.606 -11.221 5.209 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.760 -9.811 4.603 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.217 -11.362 3.319 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.207 -12.711 3.841 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.220 -11.694 2.659 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.234 -10.341 2.141 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.641 -11.933 1.007 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.621 -13.288 1.529 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.143 -12.698 -0.686 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.472 -12.349 0.311 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.470 -11.093 -0.239 1.00 21.93 H new ATOM 190 N THR A 12 -3.323 -11.172 5.251 1.00 9.63 N ATOM 191 CA THR A 12 -1.981 -10.718 4.814 1.00 9.85 C ATOM 192 C THR A 12 -1.732 -11.301 3.446 1.00 11.66 C ATOM 193 O THR A 12 -2.053 -12.439 3.117 1.00 12.33 O ATOM 194 CB THR A 12 -0.832 -11.282 5.719 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.059 -11.039 7.098 1.00 10.91 O ATOM 196 CG2 THR A 12 0.623 -10.781 5.452 1.00 9.63 C ATOM 0 H THR A 12 -3.402 -12.186 5.327 1.00 9.63 H new ATOM 0 HA THR A 12 -1.974 -9.629 4.850 1.00 9.85 H new ATOM 0 HB THR A 12 -0.880 -12.335 5.442 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.318 -11.410 7.622 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.307 -11.258 6.155 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.914 -11.036 4.433 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.665 -9.700 5.582 1.00 9.63 H new ATOM 204 N ILE A 13 -1.182 -10.432 2.589 1.00 10.42 N ATOM 205 CA ILE A 13 -0.827 -10.754 1.201 1.00 11.84 C ATOM 206 C ILE A 13 0.550 -10.329 0.752 1.00 10.55 C ATOM 207 O ILE A 13 1.072 -9.284 1.136 1.00 11.92 O ATOM 208 CB ILE A 13 -1.774 -10.268 0.103 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.889 -8.733 0.011 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.179 -10.835 0.444 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.676 -8.157 -1.171 1.00 16.46 C ATOM 0 H ILE A 13 -0.967 -9.468 2.845 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.895 -11.838 1.294 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.381 -10.609 -0.855 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.350 -8.374 0.931 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.881 -8.321 -0.022 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.894 -10.515 -0.314 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.136 -11.924 0.466 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.494 -10.465 1.420 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.677 -7.069 -1.112 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.210 -8.469 -2.105 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.702 -8.523 -1.138 1.00 16.46 H new ATOM 223 N THR A 14 1.158 -11.113 -0.158 1.00 9.39 N ATOM 224 CA THR A 14 2.490 -10.853 -0.662 1.00 9.63 C ATOM 225 C THR A 14 2.496 -9.995 -1.925 1.00 11.20 C ATOM 226 O THR A 14 1.554 -10.056 -2.751 1.00 11.63 O ATOM 227 CB THR A 14 3.374 -12.151 -0.827 1.00 10.38 C ATOM 228 OG1 THR A 14 2.604 -13.090 -1.581 1.00 16.30 O ATOM 229 CG2 THR A 14 3.616 -12.840 0.540 1.00 11.66 C ATOM 0 H THR A 14 0.724 -11.945 -0.557 1.00 9.39 H new ATOM 0 HA THR A 14 2.968 -10.263 0.120 1.00 9.63 H new ATOM 0 HB THR A 14 4.321 -11.870 -1.288 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.122 -13.912 -1.706 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.227 -13.731 0.395 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.131 -12.151 1.209 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.659 -13.124 0.979 1.00 11.66 H new ATOM 237 N LEU A 15 3.558 -9.241 -2.118 1.00 8.29 N ATOM 238 CA LEU A 15 3.608 -8.294 -3.237 1.00 9.03 C ATOM 239 C LEU A 15 5.072 -8.271 -3.690 1.00 8.59 C ATOM 240 O LEU A 15 5.960 -8.224 -2.842 1.00 7.79 O ATOM 241 CB LEU A 15 3.232 -6.869 -2.776 1.00 11.08 C ATOM 242 CG LEU A 15 1.766 -6.712 -2.329 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.689 -5.469 -1.462 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.747 -6.660 -3.432 1.00 15.27 C ATOM 0 H LEU A 15 4.392 -9.256 -1.530 1.00 8.29 H new ATOM 0 HA LEU A 15 2.914 -8.593 -4.022 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.884 -6.583 -1.950 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.427 -6.173 -3.592 1.00 11.08 H new ATOM 0 HG LEU A 15 1.498 -7.617 -1.784 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.663 -5.324 -1.125 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.342 -5.588 -0.597 1.00 15.88 H new ATOM 0 HD13 LEU A 15 2.007 -4.602 -2.040 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.249 -6.548 -3.003 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.959 -5.812 -4.083 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.791 -7.582 -4.012 1.00 15.27 H new ATOM 256 N GLU A 16 5.393 -8.357 -5.004 1.00 11.04 N ATOM 257 CA GLU A 16 6.750 -8.311 -5.518 1.00 11.50 C ATOM 258 C GLU A 16 7.023 -6.908 -6.031 1.00 10.13 C ATOM 259 O GLU A 16 6.360 -6.425 -6.979 1.00 9.83 O ATOM 260 CB GLU A 16 6.902 -9.398 -6.574 1.00 17.22 C ATOM 261 CG GLU A 16 8.259 -9.298 -7.271 1.00 23.33 C ATOM 262 CD GLU A 16 9.411 -9.559 -6.299 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.384 -10.603 -5.639 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.336 -8.691 -6.247 1.00 28.86 O ATOM 0 H GLU A 16 4.690 -8.462 -5.736 1.00 11.04 H new ATOM 0 HA GLU A 16 7.495 -8.514 -4.748 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.799 -10.379 -6.109 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.103 -9.309 -7.310 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.302 -10.017 -8.089 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.371 -8.307 -7.711 1.00 23.33 H new ATOM 271 N VAL A 17 8.050 -6.182 -5.454 1.00 8.99 N ATOM 272 CA VAL A 17 8.219 -4.802 -5.767 1.00 8.85 C ATOM 273 C VAL A 17 9.739 -4.461 -5.799 1.00 8.04 C ATOM 274 O VAL A 17 10.569 -5.172 -5.249 1.00 8.99 O ATOM 275 CB VAL A 17 7.554 -3.888 -4.625 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.014 -3.872 -4.671 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.081 -4.148 -3.251 1.00 10.54 C ATOM 0 H VAL A 17 8.729 -6.562 -4.794 1.00 8.99 H new ATOM 0 HA VAL A 17 7.749 -4.610 -6.732 1.00 8.85 H new ATOM 0 HB VAL A 17 7.876 -2.876 -4.872 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.633 -3.236 -3.872 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.683 -3.483 -5.634 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.636 -4.886 -4.539 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.581 -3.491 -2.539 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.893 -5.187 -2.980 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.154 -3.956 -3.230 1.00 10.54 H new ATOM 287 N GLU A 18 10.158 -3.333 -6.397 1.00 7.29 N ATOM 288 CA GLU A 18 11.485 -2.764 -6.404 1.00 7.08 C ATOM 289 C GLU A 18 11.372 -1.370 -5.661 1.00 6.45 C ATOM 290 O GLU A 18 10.353 -0.665 -5.641 1.00 5.28 O ATOM 291 CB GLU A 18 12.083 -2.570 -7.836 1.00 10.28 C ATOM 292 CG GLU A 18 12.261 -3.890 -8.632 1.00 12.65 C ATOM 293 CD GLU A 18 13.253 -4.846 -8.086 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.455 -4.608 -8.432 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.006 -5.845 -7.370 1.00 14.33 O ATOM 0 H GLU A 18 9.507 -2.757 -6.931 1.00 7.29 H new ATOM 0 HA GLU A 18 12.170 -3.451 -5.907 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.434 -1.902 -8.402 1.00 10.28 H new ATOM 0 HB3 GLU A 18 13.051 -2.077 -7.750 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.295 -4.391 -8.688 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.550 -3.640 -9.653 1.00 12.65 H new ATOM 302 N PRO A 19 12.416 -0.908 -4.916 1.00 7.24 N ATOM 303 CA PRO A 19 12.319 0.200 -3.937 1.00 7.07 C ATOM 304 C PRO A 19 11.959 1.571 -4.543 1.00 6.65 C ATOM 305 O PRO A 19 11.625 2.528 -3.837 1.00 6.37 O ATOM 306 CB PRO A 19 13.749 0.389 -3.568 1.00 7.61 C ATOM 307 CG PRO A 19 14.256 -1.039 -3.361 1.00 8.16 C ATOM 308 CD PRO A 19 13.602 -1.679 -4.621 1.00 7.49 C ATOM 0 HA PRO A 19 11.576 -0.052 -3.181 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.302 0.901 -4.355 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.854 0.987 -2.663 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.344 -1.110 -3.363 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.909 -1.484 -2.428 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.292 -1.663 -5.464 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.348 -2.723 -4.436 1.00 7.49 H new ATOM 316 N SER A 20 12.153 1.750 -5.876 1.00 6.80 N ATOM 317 CA SER A 20 11.749 2.952 -6.587 1.00 6.28 C ATOM 318 C SER A 20 10.553 2.656 -7.455 1.00 8.45 C ATOM 319 O SER A 20 10.272 3.322 -8.457 1.00 7.26 O ATOM 320 CB SER A 20 12.879 3.439 -7.567 1.00 8.57 C ATOM 321 OG SER A 20 14.033 3.914 -6.884 1.00 11.13 O ATOM 0 H SER A 20 12.597 1.052 -6.473 1.00 6.80 H new ATOM 0 HA SER A 20 11.534 3.710 -5.833 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.164 2.617 -8.224 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.486 4.233 -8.202 1.00 8.57 H new ATOM 0 HG SER A 20 14.704 4.202 -7.537 1.00 11.13 H new ATOM 327 N ASP A 21 9.755 1.634 -7.090 1.00 7.50 N ATOM 328 CA ASP A 21 8.339 1.619 -7.339 1.00 7.70 C ATOM 329 C ASP A 21 7.585 2.719 -6.583 1.00 7.08 C ATOM 330 O ASP A 21 7.993 3.038 -5.433 1.00 8.11 O ATOM 331 CB ASP A 21 7.657 0.213 -7.037 1.00 11.00 C ATOM 332 CG ASP A 21 8.021 -0.844 -8.033 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.877 -0.551 -9.217 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.287 -1.999 -7.674 1.00 18.03 O ATOM 0 H ASP A 21 10.097 0.800 -6.612 1.00 7.50 H new ATOM 0 HA ASP A 21 8.258 1.813 -8.409 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.949 -0.119 -6.041 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.574 0.336 -7.027 1.00 11.00 H new ATOM 339 N THR A 22 6.544 3.279 -7.148 1.00 5.37 N ATOM 340 CA THR A 22 5.795 4.259 -6.412 1.00 6.01 C ATOM 341 C THR A 22 4.663 3.561 -5.612 1.00 8.01 C ATOM 342 O THR A 22 4.326 2.424 -5.931 1.00 8.11 O ATOM 343 CB THR A 22 5.264 5.494 -7.150 1.00 8.92 C ATOM 344 OG1 THR A 22 4.398 5.153 -8.240 1.00 10.22 O ATOM 345 CG2 THR A 22 6.360 6.408 -7.672 1.00 9.65 C ATOM 0 H THR A 22 6.205 3.079 -8.089 1.00 5.37 H new ATOM 0 HA THR A 22 6.549 4.703 -5.762 1.00 6.01 H new ATOM 0 HB THR A 22 4.699 6.033 -6.390 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.084 5.972 -8.677 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.911 7.260 -8.182 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.966 6.763 -6.838 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.991 5.858 -8.370 1.00 9.65 H new ATOM 353 N ILE A 23 4.057 4.222 -4.622 1.00 8.32 N ATOM 354 CA ILE A 23 2.830 3.695 -4.014 1.00 9.92 C ATOM 355 C ILE A 23 1.643 3.439 -5.011 1.00 10.01 C ATOM 356 O ILE A 23 0.931 2.429 -4.900 1.00 8.71 O ATOM 357 CB ILE A 23 2.350 4.589 -2.850 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.491 5.041 -1.833 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.218 3.928 -2.070 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.175 3.876 -1.029 1.00 12.30 C ATOM 0 H ILE A 23 4.386 5.104 -4.230 1.00 8.32 H new ATOM 0 HA ILE A 23 3.121 2.713 -3.640 1.00 9.92 H new ATOM 0 HB ILE A 23 1.996 5.495 -3.342 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.260 5.576 -2.390 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.062 5.748 -1.122 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.904 4.584 -1.258 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.375 3.746 -2.736 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.565 2.981 -1.657 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.936 4.289 -0.366 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.424 3.352 -0.438 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.640 3.178 -1.725 1.00 12.30 H new ATOM 372 N GLU A 24 1.390 4.314 -6.053 1.00 9.54 N ATOM 373 CA GLU A 24 0.490 4.090 -7.236 1.00 11.81 C ATOM 374 C GLU A 24 0.616 2.608 -7.805 1.00 11.14 C ATOM 375 O GLU A 24 -0.392 1.992 -8.104 1.00 10.62 O ATOM 376 CB GLU A 24 0.733 5.203 -8.263 1.00 19.24 C ATOM 377 CG GLU A 24 -0.218 5.224 -9.526 1.00 27.76 C ATOM 378 CD GLU A 24 0.133 6.371 -10.471 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.339 6.501 -10.896 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.732 7.159 -10.762 1.00 36.51 O ATOM 0 H GLU A 24 1.831 5.233 -6.085 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.556 4.160 -6.936 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.643 6.162 -7.753 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.762 5.124 -8.613 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.139 4.276 -10.058 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.254 5.322 -9.201 1.00 27.76 H new ATOM 387 N ASN A 25 1.883 1.997 -7.837 1.00 9.43 N ATOM 388 CA ASN A 25 2.053 0.616 -8.275 1.00 10.96 C ATOM 389 C ASN A 25 1.531 -0.399 -7.284 1.00 9.68 C ATOM 390 O ASN A 25 0.913 -1.446 -7.597 1.00 9.33 O ATOM 391 CB ASN A 25 3.490 0.204 -8.665 1.00 16.78 C ATOM 392 CG ASN A 25 4.209 1.200 -9.560 1.00 22.31 C ATOM 393 OD1 ASN A 25 5.229 1.856 -9.307 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.601 1.419 -10.717 1.00 24.70 N ATOM 0 H ASN A 25 2.748 2.463 -7.564 1.00 9.43 H new ATOM 0 HA ASN A 25 1.449 0.605 -9.182 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.074 0.064 -7.755 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.453 -0.760 -9.172 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.975 2.110 -11.367 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.759 0.896 -10.957 1.00 24.70 H new ATOM 401 N VAL A 26 1.770 -0.136 -5.990 1.00 6.52 N ATOM 402 CA VAL A 26 1.280 -0.850 -4.802 1.00 5.53 C ATOM 403 C VAL A 26 -0.307 -0.934 -4.777 1.00 4.42 C ATOM 404 O VAL A 26 -0.897 -2.030 -4.815 1.00 3.40 O ATOM 405 CB VAL A 26 1.759 -0.303 -3.472 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.191 -1.095 -2.274 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.306 -0.275 -3.342 1.00 8.12 C ATOM 0 H VAL A 26 2.363 0.651 -5.726 1.00 6.52 H new ATOM 0 HA VAL A 26 1.717 -1.843 -4.908 1.00 5.53 H new ATOM 0 HB VAL A 26 1.385 0.721 -3.450 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.563 -0.665 -1.344 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.102 -1.044 -2.287 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.506 -2.136 -2.344 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.582 0.127 -2.367 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.698 -1.287 -3.441 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.726 0.355 -4.126 1.00 8.12 H new ATOM 417 N LYS A 27 -0.981 0.258 -4.874 1.00 2.64 N ATOM 418 CA LYS A 27 -2.404 0.360 -4.900 1.00 4.14 C ATOM 419 C LYS A 27 -2.927 -0.404 -6.119 1.00 5.58 C ATOM 420 O LYS A 27 -3.903 -1.159 -6.030 1.00 4.11 O ATOM 421 CB LYS A 27 -2.863 1.873 -5.040 1.00 3.97 C ATOM 422 CG LYS A 27 -2.587 2.524 -3.753 1.00 7.45 C ATOM 423 CD LYS A 27 -3.293 3.929 -3.574 1.00 9.02 C ATOM 424 CE LYS A 27 -2.981 4.533 -2.263 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.463 5.940 -2.206 1.00 15.47 N ATOM 0 H LYS A 27 -0.508 1.160 -4.935 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.797 -0.051 -3.970 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.322 2.368 -5.847 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.924 1.934 -5.284 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.908 1.863 -2.948 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.510 2.655 -3.648 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.973 4.601 -4.370 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.372 3.809 -3.672 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.447 3.951 -1.468 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.905 4.504 -2.090 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.997 6.435 -1.419 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.236 6.421 -3.100 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.493 5.949 -2.060 1.00 15.47 H new ATOM 439 N ALA A 28 -2.295 -0.297 -7.275 1.00 6.61 N ATOM 440 CA ALA A 28 -2.637 -0.948 -8.498 1.00 7.74 C ATOM 441 C ALA A 28 -2.557 -2.410 -8.311 1.00 9.17 C ATOM 442 O ALA A 28 -3.303 -3.131 -8.973 1.00 11.45 O ATOM 443 CB ALA A 28 -1.803 -0.396 -9.724 1.00 7.68 C ATOM 0 H ALA A 28 -1.470 0.295 -7.375 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.669 -0.715 -8.760 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.099 -0.922 -10.632 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.995 0.670 -9.844 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.740 -0.555 -9.542 1.00 7.68 H new ATOM 449 N LYS A 29 -1.625 -2.987 -7.504 1.00 8.96 N ATOM 450 CA LYS A 29 -1.454 -4.467 -7.325 1.00 7.90 C ATOM 451 C LYS A 29 -2.541 -4.900 -6.466 1.00 6.92 C ATOM 452 O LYS A 29 -3.064 -5.981 -6.607 1.00 6.87 O ATOM 453 CB LYS A 29 -0.171 -4.985 -6.736 1.00 10.28 C ATOM 454 CG LYS A 29 1.105 -4.888 -7.633 1.00 14.94 C ATOM 455 CD LYS A 29 2.425 -5.204 -6.874 1.00 19.69 C ATOM 456 CE LYS A 29 3.767 -4.799 -7.426 1.00 22.63 C ATOM 457 NZ LYS A 29 4.061 -5.726 -8.553 1.00 24.98 N ATOM 0 H LYS A 29 -0.964 -2.440 -6.953 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.443 -4.870 -8.338 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.022 -4.442 -5.811 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.319 -6.031 -6.467 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.003 -5.578 -8.471 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.168 -3.884 -8.053 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.339 -4.751 -5.886 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.455 -6.284 -6.728 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.748 -3.765 -7.770 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.538 -4.866 -6.658 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.948 -6.235 -8.362 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.284 -6.410 -8.652 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.157 -5.182 -9.434 1.00 24.98 H new ATOM 471 N ILE A 30 -2.873 -4.085 -5.398 1.00 4.57 N ATOM 472 CA ILE A 30 -3.946 -4.420 -4.482 1.00 5.58 C ATOM 473 C ILE A 30 -5.280 -4.427 -5.195 1.00 7.26 C ATOM 474 O ILE A 30 -6.170 -5.183 -4.826 1.00 9.46 O ATOM 475 CB ILE A 30 -3.891 -3.406 -3.307 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.485 -3.462 -2.553 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.139 -3.575 -2.419 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.179 -4.768 -1.741 1.00 2.00 C ATOM 0 H ILE A 30 -2.397 -3.209 -5.183 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.824 -5.428 -4.085 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.936 -2.383 -3.681 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.696 -3.327 -3.292 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.430 -2.615 -1.870 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.098 -2.863 -1.595 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.035 -3.393 -3.012 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.167 -4.589 -2.021 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.197 -4.685 -1.275 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.937 -4.902 -0.969 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.191 -5.626 -2.414 1.00 2.00 H new ATOM 490 N GLN A 31 -5.560 -3.581 -6.192 1.00 7.06 N ATOM 491 CA GLN A 31 -6.775 -3.595 -6.951 1.00 8.67 C ATOM 492 C GLN A 31 -6.969 -4.877 -7.758 1.00 10.90 C ATOM 493 O GLN A 31 -8.040 -5.514 -7.718 1.00 9.63 O ATOM 494 CB GLN A 31 -6.723 -2.406 -7.962 1.00 9.12 C ATOM 495 CG GLN A 31 -8.166 -2.246 -8.489 1.00 10.76 C ATOM 496 CD GLN A 31 -8.289 -0.998 -9.458 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.192 -0.177 -9.497 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.218 -0.914 -10.310 1.00 14.76 N ATOM 0 H GLN A 31 -4.913 -2.850 -6.488 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.601 -3.520 -6.244 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.380 -1.493 -7.476 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.029 -2.614 -8.776 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.465 -3.151 -9.018 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.851 -2.127 -7.650 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.473 -1.609 -10.263 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.166 -0.156 -10.991 1.00 14.76 H new ATOM 507 N ASP A 32 -5.828 -5.230 -8.425 1.00 10.93 N ATOM 508 CA ASP A 32 -5.794 -6.436 -9.321 1.00 14.01 C ATOM 509 C ASP A 32 -6.027 -7.739 -8.559 1.00 14.04 C ATOM 510 O ASP A 32 -6.689 -8.691 -9.003 1.00 13.39 O ATOM 511 CB ASP A 32 -4.387 -6.388 -10.065 1.00 18.01 C ATOM 512 CG ASP A 32 -4.203 -7.543 -11.065 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.198 -7.677 -11.866 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.154 -8.289 -10.957 1.00 25.17 O ATOM 0 H ASP A 32 -4.947 -4.719 -8.366 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.610 -6.412 -10.044 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.292 -5.438 -10.592 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.588 -6.423 -9.325 1.00 18.01 H new ATOM 519 N LYS A 33 -5.453 -7.854 -7.347 1.00 14.22 N ATOM 520 CA LYS A 33 -5.501 -8.966 -6.407 1.00 14.00 C ATOM 521 C LYS A 33 -6.767 -9.008 -5.573 1.00 12.37 C ATOM 522 O LYS A 33 -7.405 -10.051 -5.449 1.00 12.17 O ATOM 523 CB LYS A 33 -4.314 -8.907 -5.412 1.00 18.62 C ATOM 524 CG LYS A 33 -3.007 -9.224 -6.121 1.00 24.00 C ATOM 525 CD LYS A 33 -1.748 -9.243 -5.212 1.00 27.61 C ATOM 526 CE LYS A 33 -0.448 -9.841 -5.832 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.447 -11.304 -6.059 1.00 30.06 N ATOM 0 H LYS A 33 -4.891 -7.089 -6.974 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.460 -9.856 -7.036 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.259 -7.916 -4.961 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.476 -9.617 -4.601 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.101 -10.197 -6.604 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.854 -8.489 -6.911 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.537 -8.220 -4.900 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.987 -9.808 -4.311 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.264 -9.346 -6.785 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.389 -9.595 -5.178 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.463 -11.591 -6.473 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.586 -11.796 -5.153 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.218 -11.555 -6.711 1.00 30.06 H new ATOM 541 N GLU A 34 -7.150 -7.856 -4.943 1.00 10.11 N ATOM 542 CA GLU A 34 -8.148 -7.929 -3.870 1.00 10.07 C ATOM 543 C GLU A 34 -9.434 -7.203 -4.243 1.00 9.32 C ATOM 544 O GLU A 34 -10.514 -7.272 -3.660 1.00 11.61 O ATOM 545 CB GLU A 34 -7.601 -7.120 -2.660 1.00 14.77 C ATOM 546 CG GLU A 34 -6.362 -7.740 -1.957 1.00 18.75 C ATOM 547 CD GLU A 34 -6.570 -9.161 -1.571 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.330 -9.400 -0.621 1.00 25.19 O ATOM 549 OE2 GLU A 34 -5.997 -10.074 -2.210 1.00 21.95 O ATOM 0 H GLU A 34 -6.797 -6.923 -5.155 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.337 -8.984 -3.670 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.342 -6.118 -3.001 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.399 -7.011 -1.926 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.501 -7.671 -2.621 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.125 -7.157 -1.067 1.00 18.75 H new ATOM 556 N GLY A 35 -9.403 -6.424 -5.361 1.00 7.22 N ATOM 557 CA GLY A 35 -10.613 -5.981 -5.928 1.00 6.29 C ATOM 558 C GLY A 35 -10.931 -4.621 -5.379 1.00 6.93 C ATOM 559 O GLY A 35 -12.091 -4.187 -5.456 1.00 7.41 O ATOM 0 H GLY A 35 -8.556 -6.121 -5.842 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.529 -5.940 -7.014 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.417 -6.680 -5.697 1.00 6.29 H new ATOM 563 N ILE A 36 -10.020 -3.869 -4.719 1.00 5.86 N ATOM 564 CA ILE A 36 -10.248 -2.641 -4.002 1.00 6.07 C ATOM 565 C ILE A 36 -9.712 -1.514 -4.830 1.00 6.36 C ATOM 566 O ILE A 36 -8.462 -1.395 -4.962 1.00 6.18 O ATOM 567 CB ILE A 36 -9.509 -2.688 -2.650 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.868 -3.904 -1.885 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.997 -1.373 -1.912 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.138 -4.048 -0.604 1.00 9.49 C ATOM 0 H ILE A 36 -9.039 -4.146 -4.685 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.313 -2.501 -3.816 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.425 -2.729 -2.761 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.939 -3.890 -1.681 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.673 -4.780 -2.503 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.526 -1.310 -0.931 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.722 -0.500 -2.504 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.080 -1.403 -1.793 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.457 -4.963 -0.104 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.067 -4.096 -0.799 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.352 -3.192 0.035 1.00 9.49 H new ATOM 582 N PRO A 37 -10.485 -0.587 -5.383 1.00 8.65 N ATOM 583 CA PRO A 37 -10.019 0.577 -6.112 1.00 9.18 C ATOM 584 C PRO A 37 -9.001 1.384 -5.305 1.00 9.85 C ATOM 585 O PRO A 37 -9.192 1.505 -4.084 1.00 8.51 O ATOM 586 CB PRO A 37 -11.310 1.297 -6.394 1.00 11.42 C ATOM 587 CG PRO A 37 -12.237 0.146 -6.661 1.00 9.27 C ATOM 588 CD PRO A 37 -11.905 -0.818 -5.526 1.00 8.33 C ATOM 0 HA PRO A 37 -9.464 0.357 -7.024 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.637 1.901 -5.547 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.229 1.966 -7.250 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.282 0.454 -6.639 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.057 -0.301 -7.639 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.455 -0.588 -4.614 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.132 -1.853 -5.783 1.00 8.33 H new ATOM 596 N PRO A 38 -7.973 2.084 -5.893 1.00 8.71 N ATOM 597 CA PRO A 38 -7.103 3.143 -5.316 1.00 9.08 C ATOM 598 C PRO A 38 -7.824 4.295 -4.646 1.00 9.28 C ATOM 599 O PRO A 38 -7.326 4.830 -3.685 1.00 6.50 O ATOM 600 CB PRO A 38 -6.179 3.571 -6.479 1.00 10.31 C ATOM 601 CG PRO A 38 -6.034 2.339 -7.334 1.00 10.81 C ATOM 602 CD PRO A 38 -7.374 1.545 -7.065 1.00 12.00 C ATOM 0 HA PRO A 38 -6.541 2.749 -4.469 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.613 4.396 -7.045 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.212 3.912 -6.110 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.922 2.593 -8.388 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.158 1.755 -7.052 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.049 1.637 -7.916 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.168 0.483 -6.935 1.00 12.00 H new ATOM 610 N ASP A 39 -9.013 4.618 -5.176 1.00 11.20 N ATOM 611 CA ASP A 39 -9.834 5.685 -4.644 1.00 14.96 C ATOM 612 C ASP A 39 -10.519 5.181 -3.373 1.00 13.99 C ATOM 613 O ASP A 39 -10.929 5.952 -2.540 1.00 13.75 O ATOM 614 CB ASP A 39 -10.813 6.123 -5.712 1.00 24.16 C ATOM 615 CG ASP A 39 -10.129 6.587 -6.973 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.316 7.554 -6.944 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.425 6.040 -8.020 1.00 35.55 O ATOM 0 H ASP A 39 -9.420 4.142 -5.981 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.241 6.558 -4.372 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.480 5.294 -5.949 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.433 6.930 -5.322 1.00 24.16 H new ATOM 622 N GLN A 40 -10.501 3.812 -3.141 1.00 11.60 N ATOM 623 CA GLN A 40 -11.033 3.280 -1.894 1.00 10.76 C ATOM 624 C GLN A 40 -9.870 2.834 -0.944 1.00 8.01 C ATOM 625 O GLN A 40 -10.169 2.250 0.090 1.00 8.96 O ATOM 626 CB GLN A 40 -11.935 2.084 -2.090 1.00 11.14 C ATOM 627 CG GLN A 40 -13.341 2.373 -2.698 1.00 14.85 C ATOM 628 CD GLN A 40 -14.338 1.291 -2.390 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.014 0.094 -2.395 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.588 1.716 -1.991 1.00 18.16 N ATOM 0 H GLN A 40 -10.135 3.116 -3.790 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.616 4.092 -1.460 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.423 1.371 -2.736 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.073 1.597 -1.124 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.711 3.323 -2.313 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.250 2.481 -3.779 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.816 2.710 -2.001 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.284 1.036 -1.686 1.00 18.16 H new ATOM 639 N GLN A 41 -8.576 3.060 -1.222 1.00 6.52 N ATOM 640 CA GLN A 41 -7.524 2.539 -0.362 1.00 3.87 C ATOM 641 C GLN A 41 -6.780 3.673 0.312 1.00 4.79 C ATOM 642 O GLN A 41 -6.226 4.586 -0.301 1.00 6.34 O ATOM 643 CB GLN A 41 -6.356 1.835 -1.113 1.00 4.20 C ATOM 644 CG GLN A 41 -6.809 0.522 -1.777 1.00 3.20 C ATOM 645 CD GLN A 41 -5.720 -0.056 -2.736 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.535 0.135 -2.469 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.033 -0.659 -3.895 1.00 7.13 N ATOM 0 H GLN A 41 -8.245 3.593 -2.026 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.065 1.856 0.293 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.956 2.507 -1.872 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.547 1.627 -0.413 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.040 -0.213 -1.006 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.728 0.697 -2.336 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.010 -0.827 -4.135 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.294 -0.949 -4.535 1.00 7.13 H new ATOM 656 N ARG A 42 -6.833 3.720 1.661 1.00 5.73 N ATOM 657 CA ARG A 42 -5.802 4.460 2.363 1.00 6.97 C ATOM 658 C ARG A 42 -4.801 3.493 2.991 1.00 7.15 C ATOM 659 O ARG A 42 -5.159 2.413 3.417 1.00 7.33 O ATOM 660 CB ARG A 42 -6.316 5.297 3.503 1.00 13.23 C ATOM 661 CG ARG A 42 -7.140 6.501 3.019 1.00 21.27 C ATOM 662 CD ARG A 42 -7.385 7.591 4.058 1.00 26.14 C ATOM 663 NE ARG A 42 -8.287 8.647 3.409 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.582 8.844 3.775 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.286 8.001 4.508 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.264 9.844 3.238 1.00 36.39 N ATOM 0 H ARG A 42 -7.542 3.277 2.245 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.363 5.110 1.606 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.931 4.678 4.157 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.475 5.651 4.099 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.632 6.946 2.164 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.105 6.139 2.663 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.859 7.175 4.947 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.443 8.035 4.378 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.898 9.229 2.668 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.861 7.135 4.839 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.255 8.216 4.744 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.818 10.458 2.557 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.236 10.000 3.506 1.00 36.39 H new ATOM 680 N LEU A 43 -3.481 3.859 2.890 1.00 4.65 N ATOM 681 CA LEU A 43 -2.362 2.972 3.157 1.00 3.51 C ATOM 682 C LEU A 43 -1.516 3.545 4.218 1.00 5.56 C ATOM 683 O LEU A 43 -1.221 4.746 4.248 1.00 4.19 O ATOM 684 CB LEU A 43 -1.570 2.698 1.902 1.00 3.74 C ATOM 685 CG LEU A 43 -2.347 2.049 0.767 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.369 1.607 -0.315 1.00 9.55 C ATOM 687 CD2 LEU A 43 -3.085 0.762 1.060 1.00 6.41 C ATOM 0 H LEU A 43 -3.191 4.798 2.615 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.748 2.013 3.503 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.154 3.639 1.543 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.728 2.054 2.158 1.00 3.74 H new ATOM 0 HG LEU A 43 -3.070 2.826 0.517 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.918 1.140 -1.133 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.826 2.474 -0.691 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.663 0.890 0.104 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.591 0.419 0.158 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.376 0.003 1.389 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.821 0.935 1.845 1.00 6.41 H new ATOM 699 N ILE A 44 -1.103 2.706 5.221 1.00 4.58 N ATOM 700 CA ILE A 44 -0.448 3.247 6.376 1.00 5.55 C ATOM 701 C ILE A 44 0.765 2.386 6.583 1.00 5.46 C ATOM 702 O ILE A 44 0.697 1.209 6.537 1.00 6.04 O ATOM 703 CB ILE A 44 -1.287 3.230 7.610 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.749 3.788 7.371 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.646 4.142 8.703 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.658 3.713 8.556 1.00 13.90 C ATOM 0 H ILE A 44 -1.223 1.693 5.222 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.217 4.298 6.202 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.341 2.185 7.916 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.677 4.828 7.053 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.203 3.234 6.549 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.264 4.124 9.600 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.352 3.776 8.943 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.578 5.164 8.330 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.635 4.119 8.292 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.768 2.673 8.865 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.234 4.292 9.377 1.00 13.90 H new ATOM 718 N PHE A 45 1.977 3.019 6.896 1.00 6.75 N ATOM 719 CA PHE A 45 3.251 2.338 7.317 1.00 4.70 C ATOM 720 C PHE A 45 3.679 2.959 8.571 1.00 6.34 C ATOM 721 O PHE A 45 3.969 4.150 8.542 1.00 5.45 O ATOM 722 CB PHE A 45 4.324 2.581 6.233 1.00 5.51 C ATOM 723 CG PHE A 45 5.627 1.988 6.447 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.779 0.592 6.679 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.781 2.806 6.567 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.035 0.027 6.937 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.015 2.189 6.792 1.00 6.64 C ATOM 728 CZ PHE A 45 8.134 0.802 6.946 1.00 6.84 C ATOM 0 H PHE A 45 2.076 4.033 6.856 1.00 6.75 H new ATOM 0 HA PHE A 45 3.105 1.266 7.446 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.936 2.210 5.284 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.457 3.657 6.124 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.908 -0.045 6.656 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.707 3.880 6.486 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.121 -1.032 7.129 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.904 2.800 6.849 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.109 0.355 7.072 1.00 6.84 H new ATOM 738 N ALA A 46 3.773 2.119 9.652 1.00 6.53 N ATOM 739 CA ALA A 46 4.227 2.510 10.989 1.00 7.15 C ATOM 740 C ALA A 46 3.623 3.794 11.515 1.00 9.00 C ATOM 741 O ALA A 46 4.358 4.721 11.966 1.00 11.15 O ATOM 742 CB ALA A 46 5.726 2.535 11.020 1.00 8.99 C ATOM 0 H ALA A 46 3.524 1.132 9.594 1.00 6.53 H new ATOM 0 HA ALA A 46 3.858 1.751 11.679 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.065 2.826 12.014 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.111 1.544 10.781 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.093 3.254 10.287 1.00 8.99 H new ATOM 748 N GLY A 47 2.292 3.954 11.339 1.00 9.35 N ATOM 749 CA GLY A 47 1.471 5.097 11.710 1.00 11.68 C ATOM 750 C GLY A 47 1.524 6.277 10.740 1.00 11.14 C ATOM 751 O GLY A 47 1.122 7.375 11.120 1.00 13.93 O ATOM 0 H GLY A 47 1.734 3.223 10.899 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.436 4.767 11.800 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.782 5.443 12.696 1.00 11.68 H new ATOM 755 N LYS A 48 2.139 6.060 9.559 1.00 10.47 N ATOM 756 CA LYS A 48 2.349 7.120 8.554 1.00 8.82 C ATOM 757 C LYS A 48 1.626 6.898 7.265 1.00 7.68 C ATOM 758 O LYS A 48 1.676 5.800 6.680 1.00 6.47 O ATOM 759 CB LYS A 48 3.852 7.333 8.261 1.00 9.74 C ATOM 760 CG LYS A 48 4.197 8.733 7.833 1.00 14.14 C ATOM 761 CD LYS A 48 5.716 8.986 7.871 1.00 16.32 C ATOM 762 CE LYS A 48 6.008 10.485 7.727 1.00 20.04 C ATOM 763 NZ LYS A 48 5.919 10.910 6.386 1.00 23.92 N ATOM 0 H LYS A 48 2.502 5.149 9.277 1.00 10.47 H new ATOM 0 HA LYS A 48 1.924 8.015 9.009 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.425 7.085 9.154 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.162 6.638 7.481 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.825 8.906 6.823 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.693 9.447 8.485 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.130 8.616 8.809 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.204 8.434 7.067 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.304 11.052 8.335 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.005 10.699 8.111 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.123 11.928 6.330 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.609 10.387 5.810 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.960 10.729 6.027 1.00 23.92 H new ATOM 777 N GLN A 49 0.850 7.905 6.820 1.00 8.89 N ATOM 778 CA GLN A 49 0.095 7.874 5.583 1.00 7.18 C ATOM 779 C GLN A 49 0.979 7.962 4.336 1.00 8.23 C ATOM 780 O GLN A 49 1.984 8.684 4.395 1.00 9.70 O ATOM 781 CB GLN A 49 -0.904 8.992 5.532 1.00 11.67 C ATOM 782 CG GLN A 49 -1.881 8.960 6.751 1.00 15.82 C ATOM 783 CD GLN A 49 -2.998 9.959 6.570 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.838 11.174 6.377 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.231 9.414 6.576 1.00 20.67 N ATOM 0 H GLN A 49 0.738 8.778 7.335 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.411 6.909 5.577 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.379 9.947 5.513 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.476 8.925 4.607 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.297 7.959 6.863 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.334 9.182 7.667 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.345 8.413 6.736 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.049 10.002 6.420 1.00 20.67 H new ATOM 794 N LEU A 50 0.619 7.272 3.219 1.00 6.51 N ATOM 795 CA LEU A 50 1.485 7.148 2.118 1.00 7.41 C ATOM 796 C LEU A 50 0.808 7.721 0.815 1.00 8.27 C ATOM 797 O LEU A 50 -0.195 7.242 0.298 1.00 8.34 O ATOM 798 CB LEU A 50 1.766 5.655 1.847 1.00 7.13 C ATOM 799 CG LEU A 50 2.380 4.755 2.984 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.391 3.239 2.596 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.813 5.164 3.403 1.00 9.11 C ATOM 0 H LEU A 50 -0.281 6.807 3.102 1.00 6.51 H new ATOM 0 HA LEU A 50 2.399 7.694 2.350 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.825 5.197 1.543 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.438 5.601 0.991 1.00 7.13 H new ATOM 0 HG LEU A 50 1.719 4.917 3.835 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.823 2.658 3.411 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.370 2.903 2.412 1.00 8.14 H new ATOM 0 HD13 LEU A 50 2.987 3.099 1.694 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.166 4.497 4.190 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.478 5.094 2.542 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.805 6.189 3.773 1.00 9.11 H new ATOM 813 N GLU A 51 1.403 8.740 0.200 1.00 9.43 N ATOM 814 CA GLU A 51 0.960 9.347 -1.055 1.00 11.90 C ATOM 815 C GLU A 51 1.416 8.584 -2.281 1.00 11.49 C ATOM 816 O GLU A 51 2.487 7.980 -2.335 1.00 9.88 O ATOM 817 CB GLU A 51 1.408 10.805 -1.211 1.00 16.56 C ATOM 818 CG GLU A 51 0.548 11.799 -0.402 1.00 26.06 C ATOM 819 CD GLU A 51 -0.921 11.948 -0.803 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.247 12.664 -1.806 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.814 11.416 -0.093 1.00 32.13 O ATOM 0 H GLU A 51 2.241 9.184 0.576 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.127 9.308 -0.990 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.447 10.894 -0.895 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.371 11.078 -2.266 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.582 11.499 0.645 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.016 12.781 -0.468 1.00 26.06 H new ATOM 828 N ASP A 52 0.603 8.668 -3.314 1.00 12.71 N ATOM 829 CA ASP A 52 0.690 7.853 -4.478 1.00 16.56 C ATOM 830 C ASP A 52 1.986 7.911 -5.296 1.00 15.83 C ATOM 831 O ASP A 52 2.617 6.946 -5.677 1.00 17.21 O ATOM 832 CB ASP A 52 -0.521 8.144 -5.346 1.00 21.05 C ATOM 833 CG ASP A 52 -1.818 7.926 -4.573 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.136 8.831 -3.759 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.575 6.985 -4.784 1.00 28.37 O ATOM 0 H ASP A 52 -0.164 9.339 -3.353 1.00 12.71 H new ATOM 0 HA ASP A 52 0.708 6.827 -4.110 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.476 9.172 -5.704 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.505 7.499 -6.225 1.00 21.05 H new ATOM 840 N GLY A 53 2.412 9.163 -5.604 1.00 15.00 N ATOM 841 CA GLY A 53 3.624 9.454 -6.358 1.00 11.77 C ATOM 842 C GLY A 53 4.962 9.245 -5.741 1.00 11.10 C ATOM 843 O GLY A 53 5.967 9.405 -6.460 1.00 11.25 O ATOM 0 H GLY A 53 1.903 10.001 -5.323 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.591 8.853 -7.267 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.570 10.499 -6.665 1.00 11.77 H new ATOM 847 N ARG A 54 4.990 8.926 -4.416 1.00 8.53 N ATOM 848 CA ARG A 54 6.192 8.788 -3.674 1.00 9.05 C ATOM 849 C ARG A 54 6.596 7.389 -3.719 1.00 8.96 C ATOM 850 O ARG A 54 5.763 6.527 -4.037 1.00 11.60 O ATOM 851 CB ARG A 54 5.929 9.185 -2.214 1.00 7.97 C ATOM 852 CG ARG A 54 5.545 10.658 -1.926 1.00 9.62 C ATOM 853 CD ARG A 54 6.579 11.656 -2.416 1.00 12.20 C ATOM 854 NE ARG A 54 5.871 12.914 -2.541 1.00 18.23 N ATOM 855 CZ ARG A 54 6.439 14.032 -3.113 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.710 14.147 -3.409 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.625 15.059 -3.302 1.00 23.38 N ATOM 0 H ARG A 54 4.148 8.764 -3.864 1.00 8.53 H new ATOM 0 HA ARG A 54 6.972 9.424 -4.092 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.130 8.549 -1.832 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.824 8.953 -1.637 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.588 10.876 -2.399 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.406 10.787 -0.853 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.408 11.740 -1.713 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.002 11.346 -3.372 1.00 12.20 H new ATOM 0 HE ARG A 54 4.915 12.975 -2.192 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.350 13.377 -3.217 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.059 15.007 -3.832 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.645 14.990 -3.029 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.978 15.919 -3.721 1.00 23.38 H new ATOM 871 N THR A 55 7.930 7.080 -3.520 1.00 9.05 N ATOM 872 CA THR A 55 8.415 5.700 -3.594 1.00 9.03 C ATOM 873 C THR A 55 8.448 5.006 -2.255 1.00 8.15 C ATOM 874 O THR A 55 8.361 5.657 -1.199 1.00 5.91 O ATOM 875 CB THR A 55 9.806 5.514 -4.301 1.00 11.15 C ATOM 876 OG1 THR A 55 10.803 6.255 -3.589 1.00 11.95 O ATOM 877 CG2 THR A 55 9.672 6.037 -5.719 1.00 11.71 C ATOM 0 H THR A 55 8.651 7.771 -3.313 1.00 9.05 H new ATOM 0 HA THR A 55 7.666 5.227 -4.229 1.00 9.03 H new ATOM 0 HB THR A 55 10.102 4.465 -4.315 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.633 6.271 -4.110 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.622 5.923 -6.240 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.901 5.473 -6.243 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.397 7.091 -5.693 1.00 11.71 H new ATOM 885 N LEU A 56 8.696 3.680 -2.285 1.00 6.91 N ATOM 886 CA LEU A 56 8.927 2.909 -1.125 1.00 8.29 C ATOM 887 C LEU A 56 10.270 3.315 -0.409 1.00 8.05 C ATOM 888 O LEU A 56 10.311 3.391 0.804 1.00 10.17 O ATOM 889 CB LEU A 56 9.022 1.386 -1.526 1.00 6.60 C ATOM 890 CG LEU A 56 7.795 0.753 -2.241 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.118 -0.608 -2.848 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.555 0.549 -1.422 1.00 8.64 C ATOM 0 H LEU A 56 8.734 3.140 -3.149 1.00 6.91 H new ATOM 0 HA LEU A 56 8.099 3.087 -0.439 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.889 1.263 -2.174 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.217 0.811 -0.620 1.00 6.60 H new ATOM 0 HG LEU A 56 7.581 1.517 -2.988 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.230 -1.009 -3.336 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.917 -0.499 -3.582 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.439 -1.290 -2.061 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.779 0.101 -2.042 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.777 -0.112 -0.584 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.207 1.510 -1.043 1.00 8.64 H new ATOM 904 N SER A 57 11.302 3.734 -1.179 1.00 8.92 N ATOM 905 CA SER A 57 12.566 4.372 -0.747 1.00 9.00 C ATOM 906 C SER A 57 12.329 5.667 -0.026 1.00 9.44 C ATOM 907 O SER A 57 12.956 5.914 0.997 1.00 10.91 O ATOM 908 CB SER A 57 13.431 4.699 -1.973 1.00 10.32 C ATOM 909 OG SER A 57 14.811 5.084 -1.616 1.00 13.59 O ATOM 0 H SER A 57 11.269 3.627 -2.193 1.00 8.92 H new ATOM 0 HA SER A 57 13.058 3.665 -0.078 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.460 3.832 -2.633 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.966 5.510 -2.533 1.00 10.32 H new ATOM 0 HG SER A 57 15.317 5.280 -2.432 1.00 13.59 H new ATOM 915 N ASP A 58 11.410 6.437 -0.570 1.00 9.11 N ATOM 916 CA ASP A 58 11.131 7.738 0.059 1.00 7.91 C ATOM 917 C ASP A 58 10.323 7.678 1.295 1.00 9.12 C ATOM 918 O ASP A 58 10.403 8.505 2.190 1.00 8.61 O ATOM 919 CB ASP A 58 10.377 8.675 -0.932 1.00 8.41 C ATOM 920 CG ASP A 58 10.552 10.074 -0.536 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.694 10.471 -0.215 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.567 10.824 -0.350 1.00 10.05 O ATOM 0 H ASP A 58 10.862 6.215 -1.401 1.00 9.11 H new ATOM 0 HA ASP A 58 12.118 8.117 0.325 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.754 8.526 -1.944 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.317 8.423 -0.947 1.00 8.41 H new ATOM 927 N TYR A 59 9.550 6.584 1.472 1.00 7.97 N ATOM 928 CA TYR A 59 8.745 6.417 2.645 1.00 8.45 C ATOM 929 C TYR A 59 9.416 5.427 3.621 1.00 10.98 C ATOM 930 O TYR A 59 8.851 5.097 4.670 1.00 12.95 O ATOM 931 CB TYR A 59 7.442 5.794 2.199 1.00 7.94 C ATOM 932 CG TYR A 59 6.348 6.829 2.087 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.126 7.831 3.022 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.664 6.957 0.850 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.304 8.937 2.767 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.681 7.929 0.631 1.00 6.52 C ATOM 937 CZ TYR A 59 4.518 8.954 1.607 1.00 6.76 C ATOM 938 OH TYR A 59 3.664 10.065 1.408 1.00 7.63 O ATOM 0 H TYR A 59 9.484 5.818 0.802 1.00 7.97 H new ATOM 0 HA TYR A 59 8.607 7.379 3.139 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.582 5.304 1.235 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.144 5.022 2.909 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.607 7.755 3.986 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.911 6.278 0.047 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.277 9.767 3.457 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.063 7.903 -0.254 1.00 6.52 H new ATOM 0 HH TYR A 59 4.143 10.761 0.911 1.00 7.63 H new ATOM 948 N ASN A 60 10.732 5.061 3.391 1.00 12.38 N ATOM 949 CA ASN A 60 11.420 4.120 4.236 1.00 13.94 C ATOM 950 C ASN A 60 10.814 2.736 4.383 1.00 14.16 C ATOM 951 O ASN A 60 11.023 2.113 5.442 1.00 14.26 O ATOM 952 CB ASN A 60 11.724 4.638 5.695 1.00 19.23 C ATOM 953 CG ASN A 60 12.431 5.956 5.597 1.00 22.65 C ATOM 954 OD1 ASN A 60 11.768 6.987 5.681 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.742 5.960 5.316 1.00 24.09 N ATOM 0 H ASN A 60 11.296 5.424 2.623 1.00 12.38 H new ATOM 0 HA ASN A 60 12.337 4.026 3.654 1.00 13.94 H new ATOM 0 HB2 ASN A 60 10.797 4.747 6.259 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.341 3.917 6.232 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.228 6.844 5.162 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.253 5.080 5.256 1.00 24.09 H new ATOM 962 N ILE A 61 10.073 2.272 3.376 1.00 11.08 N ATOM 963 CA ILE A 61 9.654 0.878 3.394 1.00 11.78 C ATOM 964 C ILE A 61 10.782 -0.057 2.858 1.00 13.74 C ATOM 965 O ILE A 61 11.050 -0.097 1.673 1.00 14.60 O ATOM 966 CB ILE A 61 8.386 0.909 2.496 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.267 1.721 3.134 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.979 -0.591 2.086 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.220 2.103 2.058 1.00 11.42 C ATOM 0 H ILE A 61 9.763 2.817 2.571 1.00 11.08 H new ATOM 0 HA ILE A 61 9.447 0.476 4.386 1.00 11.78 H new ATOM 0 HB ILE A 61 8.602 1.435 1.566 1.00 11.80 H new ATOM 0 HG12 ILE A 61 6.793 1.144 3.928 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.675 2.621 3.594 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.090 -0.567 1.456 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.800 -1.054 1.538 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.771 -1.170 2.986 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.421 2.684 2.518 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.699 2.697 1.279 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.803 1.197 1.618 1.00 11.42 H new ATOM 981 N GLN A 62 11.416 -0.858 3.689 1.00 13.97 N ATOM 982 CA GLN A 62 12.462 -1.872 3.344 1.00 15.52 C ATOM 983 C GLN A 62 11.980 -3.244 2.858 1.00 13.94 C ATOM 984 O GLN A 62 10.771 -3.518 2.916 1.00 12.15 O ATOM 985 CB GLN A 62 13.302 -2.118 4.633 1.00 19.53 C ATOM 986 CG GLN A 62 13.859 -0.841 5.262 1.00 26.38 C ATOM 987 CD GLN A 62 14.614 -1.069 6.533 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.057 -1.500 7.543 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.870 -0.571 6.533 1.00 32.71 N ATOM 0 H GLN A 62 11.223 -0.839 4.690 1.00 13.97 H new ATOM 0 HA GLN A 62 13.002 -1.444 2.500 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.681 -2.632 5.367 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.130 -2.785 4.393 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.516 -0.351 4.544 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.035 -0.156 5.459 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.282 -0.227 5.666 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.406 -0.539 7.400 1.00 32.71 H new ATOM 998 N LYS A 63 12.939 -4.118 2.440 1.00 11.73 N ATOM 999 CA LYS A 63 12.682 -5.554 2.311 1.00 11.97 C ATOM 1000 C LYS A 63 11.872 -6.202 3.465 1.00 10.41 C ATOM 1001 O LYS A 63 12.093 -5.886 4.645 1.00 9.59 O ATOM 1002 CB LYS A 63 13.995 -6.357 2.107 1.00 13.73 C ATOM 1003 CG LYS A 63 14.876 -5.878 0.964 1.00 16.98 C ATOM 1004 CD LYS A 63 16.226 -6.562 0.874 1.00 20.19 C ATOM 1005 CE LYS A 63 16.192 -7.981 0.306 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.580 -8.474 0.391 1.00 25.97 N ATOM 0 H LYS A 63 13.888 -3.840 2.191 1.00 11.73 H new ATOM 0 HA LYS A 63 12.050 -5.612 1.425 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.573 -6.319 3.031 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.740 -7.402 1.934 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.344 -6.030 0.025 1.00 16.98 H new ATOM 0 HG3 LYS A 63 15.034 -4.805 1.071 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.885 -5.954 0.254 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.667 -6.595 1.870 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.515 -8.616 0.877 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.838 -7.983 -0.725 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.628 -9.443 0.017 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.203 -7.856 -0.168 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.890 -8.470 1.384 1.00 25.97 H new ATOM 1020 N GLU A 64 10.931 -7.147 3.170 1.00 10.04 N ATOM 1021 CA GLU A 64 9.996 -7.734 4.106 1.00 10.94 C ATOM 1022 C GLU A 64 9.037 -6.857 4.914 1.00 9.74 C ATOM 1023 O GLU A 64 8.424 -7.322 5.860 1.00 9.42 O ATOM 1024 CB GLU A 64 10.760 -8.861 4.844 1.00 18.31 C ATOM 1025 CG GLU A 64 11.197 -8.448 6.292 1.00 24.16 C ATOM 1026 CD GLU A 64 12.046 -9.474 6.973 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.299 -9.447 6.727 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.531 -10.222 7.867 1.00 32.61 O ATOM 0 H GLU A 64 10.821 -7.518 2.226 1.00 10.04 H new ATOM 0 HA GLU A 64 9.167 -8.140 3.527 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.128 -9.747 4.899 1.00 18.31 H new ATOM 0 HB3 GLU A 64 11.643 -9.134 4.266 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.746 -7.508 6.243 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.307 -8.267 6.894 1.00 24.16 H new ATOM 1035 N SER A 65 8.855 -5.551 4.621 1.00 6.85 N ATOM 1036 CA SER A 65 7.958 -4.700 5.427 1.00 6.90 C ATOM 1037 C SER A 65 6.414 -5.072 5.560 1.00 4.72 C ATOM 1038 O SER A 65 5.856 -5.684 4.646 1.00 3.91 O ATOM 1039 CB SER A 65 7.872 -3.210 4.969 1.00 7.28 C ATOM 1040 OG SER A 65 9.137 -2.615 4.948 1.00 10.56 O ATOM 0 H SER A 65 9.310 -5.071 3.845 1.00 6.85 H new ATOM 0 HA SER A 65 8.476 -4.880 6.369 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.425 -3.157 3.976 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.218 -2.657 5.643 1.00 7.28 H new ATOM 0 HG SER A 65 9.631 -2.924 4.160 1.00 10.56 H new ATOM 1046 N THR A 66 5.726 -4.684 6.661 1.00 4.48 N ATOM 1047 CA THR A 66 4.283 -4.845 6.708 1.00 3.80 C ATOM 1048 C THR A 66 3.629 -3.418 6.527 1.00 4.60 C ATOM 1049 O THR A 66 3.951 -2.414 7.248 1.00 5.33 O ATOM 1050 CB THR A 66 3.755 -5.443 8.081 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.371 -6.688 8.359 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.180 -5.529 8.103 1.00 3.40 C ATOM 0 H THR A 66 6.145 -4.272 7.495 1.00 4.48 H new ATOM 0 HA THR A 66 4.011 -5.546 5.919 1.00 3.80 H new ATOM 0 HB THR A 66 4.038 -4.761 8.883 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.033 -7.038 9.210 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.851 -5.942 9.057 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.759 -4.532 7.976 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.839 -6.173 7.292 1.00 3.40 H new ATOM 1060 N LEU A 67 2.669 -3.310 5.602 1.00 4.17 N ATOM 1061 CA LEU A 67 2.004 -2.091 5.193 1.00 3.85 C ATOM 1062 C LEU A 67 0.471 -2.244 5.385 1.00 3.80 C ATOM 1063 O LEU A 67 -0.199 -3.145 4.861 1.00 5.54 O ATOM 1064 CB LEU A 67 2.211 -1.775 3.696 1.00 7.18 C ATOM 1065 CG LEU A 67 3.447 -0.950 3.402 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.735 -1.737 3.692 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.401 -0.553 1.876 1.00 11.66 C ATOM 0 H LEU A 67 2.323 -4.125 5.096 1.00 4.17 H new ATOM 0 HA LEU A 67 2.430 -1.294 5.803 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.273 -2.712 3.143 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.335 -1.243 3.324 1.00 7.18 H new ATOM 0 HG LEU A 67 3.455 -0.068 4.043 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.601 -1.113 3.469 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.756 -2.025 4.743 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.763 -2.631 3.070 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.279 0.044 1.629 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.392 -1.456 1.265 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.500 0.028 1.678 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.161 -1.425 6.239 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.514 -1.612 6.690 1.00 4.17 C ATOM 1081 C HIS A 68 -2.514 -1.045 5.674 1.00 5.32 C ATOM 1082 O HIS A 68 -2.275 -0.048 5.050 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.704 -1.076 8.168 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.737 -1.593 9.093 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.384 -0.851 9.505 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.564 -2.797 9.670 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.161 -1.672 10.146 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.625 -2.821 10.381 1.00 16.30 N ATOM 0 H HIS A 68 0.283 -0.597 6.636 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.729 -2.679 6.744 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.644 0.012 8.162 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.703 -1.338 8.515 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.253 -3.625 9.590 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.164 -1.415 10.454 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.993 -3.576 10.959 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.477 -1.830 5.392 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.470 -1.499 4.361 1.00 3.97 C ATOM 1098 C LEU A 69 -5.716 -1.057 5.070 1.00 5.07 C ATOM 1099 O LEU A 69 -6.438 -1.830 5.747 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.549 -2.565 3.272 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.757 -2.479 2.233 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.819 -1.142 1.454 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.670 -3.600 1.257 1.00 9.96 C ATOM 0 H LEU A 69 -3.630 -2.729 5.850 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.191 -0.649 3.739 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.618 -2.535 2.706 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.595 -3.539 3.759 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.667 -2.545 2.829 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.666 -1.160 0.768 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.938 -0.317 2.156 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.897 -1.007 0.889 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.498 -3.533 0.552 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.726 -3.538 0.715 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.722 -4.550 1.789 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.084 0.282 4.898 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.297 0.868 5.540 1.00 6.26 C ATOM 1117 C VAL A 70 -8.344 1.352 4.541 1.00 9.22 C ATOM 1118 O VAL A 70 -8.058 2.126 3.601 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.936 1.929 6.554 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.208 2.581 7.133 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.191 1.245 7.711 1.00 8.54 C ATOM 0 H VAL A 70 -5.555 0.943 4.329 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.774 0.050 6.080 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.326 2.693 6.072 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.928 3.342 7.861 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.779 3.042 6.327 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.817 1.820 7.620 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.918 1.990 8.459 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.837 0.494 8.166 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.289 0.766 7.330 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.603 0.900 4.678 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.632 1.302 3.738 1.00 16.06 C ATOM 1133 C LEU A 71 -11.138 2.769 3.820 1.00 18.09 C ATOM 1134 O LEU A 71 -10.902 3.463 4.825 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.774 0.253 3.849 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.289 -1.137 3.291 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.388 -2.202 3.641 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.091 -1.140 1.697 1.00 19.57 C ATOM 0 H LEU A 71 -9.916 0.271 5.417 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.181 1.312 2.746 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.082 0.148 4.889 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.646 0.593 3.291 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.323 -1.358 3.744 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.081 -3.178 3.267 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.515 -2.252 4.722 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.332 -1.916 3.177 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.756 -2.126 1.374 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.038 -0.902 1.212 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.345 -0.395 1.422 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.846 3.199 2.803 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.223 4.563 2.595 1.00 25.83 C ATOM 1152 C ARG A 72 -13.650 4.504 1.962 1.00 27.74 C ATOM 1153 O ARG A 72 -13.882 3.725 1.044 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.174 5.252 1.686 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.436 6.750 1.360 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.299 7.448 0.562 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.643 8.769 0.118 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.213 9.364 -1.002 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.247 8.815 -1.735 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.699 10.575 -1.359 1.00 35.02 N ATOM 0 H ARG A 72 -12.186 2.576 2.071 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.252 5.154 3.510 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.198 5.170 2.164 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.117 4.701 0.747 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.362 6.828 0.790 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.590 7.290 2.294 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.408 7.503 1.187 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.044 6.836 -0.304 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.275 9.306 0.712 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.826 7.932 -1.445 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.927 9.277 -2.586 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.395 11.038 -0.774 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.369 11.025 -2.213 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.583 5.313 2.463 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.901 5.647 1.860 1.00 30.76 C ATOM 1176 C LEU A 73 -15.650 6.950 1.202 1.00 32.18 C ATOM 1177 O LEU A 73 -14.813 7.677 1.657 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.068 5.857 2.924 1.00 30.53 C ATOM 1179 CG LEU A 73 -17.416 4.461 3.441 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.279 4.518 4.720 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -18.062 3.477 2.360 1.00 29.11 C ATOM 0 H LEU A 73 -14.444 5.789 3.355 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.234 4.836 1.212 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.743 6.506 3.738 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.935 6.331 2.465 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.449 4.021 3.686 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.503 3.505 5.053 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.734 5.045 5.503 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -19.210 5.044 4.508 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -18.272 2.514 2.825 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.990 3.908 1.984 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -17.365 3.337 1.533 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.331 7.370 0.145 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.183 8.626 -0.548 1.00 35.33 C ATOM 1195 C ARG A 74 -16.502 9.883 0.277 1.00 36.22 C ATOM 1196 O ARG A 74 -15.865 10.902 0.121 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.945 8.598 -1.940 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.663 9.715 -2.922 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.235 9.395 -4.310 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.511 8.170 -4.930 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.402 8.223 -5.703 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.908 9.386 -6.131 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.891 7.108 -6.076 1.00 41.93 N ATOM 0 H ARG A 74 -17.056 6.790 -0.277 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.114 8.722 -0.738 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.711 7.653 -2.431 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.016 8.594 -1.736 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.097 10.645 -2.553 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.587 9.873 -2.997 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.303 9.192 -4.231 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.123 10.260 -4.964 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.904 7.248 -4.739 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.368 10.260 -5.876 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.070 9.401 -6.713 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.321 6.229 -5.789 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.055 7.100 -6.660 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.455 9.858 1.228 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.577 10.959 2.135 1.00 36.07 C ATOM 1219 C GLY A 75 -16.725 10.847 3.395 1.00 36.16 C ATOM 1220 O GLY A 75 -16.926 11.568 4.344 1.00 36.26 O ATOM 0 H GLY A 75 -18.123 9.100 1.368 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.306 11.875 1.611 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.622 11.056 2.428 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.739 9.936 3.519 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.040 9.580 4.767 1.00 36.19 C ATOM 1226 C GLY A 76 -13.531 9.630 4.726 1.00 36.20 C ATOM 1227 O GLY A 76 -12.816 8.827 5.392 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.997 10.528 4.025 1.00 0.00 O ATOM 0 H GLY A 76 -15.395 9.407 2.718 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.383 10.251 5.555 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.341 8.572 5.053 1.00 36.19 H new TER 1232 GLY A 76