USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 154:sc= 0 (180deg=-0.171) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.45 (180deg=2.3) 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 97:sc= 1.25 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0.801 (180deg=0.705) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.02) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.045 (180deg=-0.336) USER MOD Single : A 31 GLN : amide:sc=-0.00268 X(o=-0.0027,f=-0.4) 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=-0.18) USER MOD Single : A 41 GLN : amide:sc= 0.857 K(o=0.86,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 55 THR OG1 : rot -60:sc= 1.23 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.488 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.210 -7.342 -5.158 1.00 9.67 N ATOM 2 CA MET A 1 11.178 -7.217 -3.640 1.00 10.38 C ATOM 3 C MET A 1 9.829 -7.583 -3.045 1.00 9.62 C ATOM 4 O MET A 1 8.811 -7.198 -3.587 1.00 9.62 O ATOM 5 CB MET A 1 11.507 -5.711 -3.241 1.00 13.77 C ATOM 6 CG MET A 1 11.462 -5.501 -1.700 1.00 16.29 C ATOM 7 SD MET A 1 11.825 -3.904 -1.122 1.00 17.17 S ATOM 8 CE MET A 1 10.281 -3.019 -1.654 1.00 16.11 C ATOM 0 H1 MET A 1 12.179 -7.179 -5.499 1.00 9.67 H new ATOM 0 H2 MET A 1 10.901 -8.296 -5.434 1.00 9.67 H new ATOM 0 H3 MET A 1 10.572 -6.636 -5.578 1.00 9.67 H new ATOM 0 HA MET A 1 11.917 -7.914 -3.244 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.495 -5.443 -3.616 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.792 -5.043 -3.720 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.467 -5.773 -1.348 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.164 -6.197 -1.241 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.113 -2.159 -1.006 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.392 -2.681 -2.684 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.430 -3.697 -1.584 1.00 16.11 H new ATOM 20 N GLN A 2 9.801 -8.418 -2.051 1.00 9.27 N ATOM 21 CA GLN A 2 8.631 -8.856 -1.356 1.00 9.07 C ATOM 22 C GLN A 2 8.199 -7.881 -0.266 1.00 8.72 C ATOM 23 O GLN A 2 8.950 -7.566 0.653 1.00 8.22 O ATOM 24 CB GLN A 2 8.801 -10.267 -0.634 1.00 14.46 C ATOM 25 CG GLN A 2 7.615 -10.876 0.103 1.00 17.01 C ATOM 26 CD GLN A 2 7.751 -12.432 0.250 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.206 -12.949 1.290 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.372 -13.126 -0.875 1.00 19.49 N ATOM 0 H GLN A 2 10.653 -8.839 -1.680 1.00 9.27 H new ATOM 0 HA GLN A 2 7.885 -8.926 -2.148 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.121 -10.985 -1.389 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.618 -10.172 0.082 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.532 -10.424 1.091 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.696 -10.641 -0.433 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.009 -12.624 -1.685 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.454 -14.142 -0.899 1.00 19.49 H new ATOM 37 N ILE A 3 6.926 -7.443 -0.266 1.00 5.87 N ATOM 38 CA ILE A 3 6.316 -6.733 0.876 1.00 5.07 C ATOM 39 C ILE A 3 4.992 -7.396 1.211 1.00 4.01 C ATOM 40 O ILE A 3 4.366 -8.105 0.431 1.00 4.61 O ATOM 41 CB ILE A 3 6.012 -5.279 0.537 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.197 -5.058 -0.711 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.388 -4.591 0.377 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.882 -3.624 -1.203 1.00 10.83 C ATOM 0 H ILE A 3 6.292 -7.570 -1.055 1.00 5.87 H new ATOM 0 HA ILE A 3 7.021 -6.772 1.706 1.00 5.07 H new ATOM 0 HB ILE A 3 5.394 -4.870 1.336 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.710 -5.571 -1.525 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.243 -5.565 -0.565 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.242 -3.539 0.132 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.946 -4.672 1.310 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.947 -5.076 -0.423 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.286 -3.675 -2.114 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.324 -3.090 -0.434 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.814 -3.097 -1.408 1.00 10.83 H new ATOM 56 N PHE A 4 4.517 -7.242 2.484 1.00 4.55 N ATOM 57 CA PHE A 4 3.260 -7.871 2.902 1.00 4.68 C ATOM 58 C PHE A 4 2.337 -6.756 3.173 1.00 5.30 C ATOM 59 O PHE A 4 2.739 -5.783 3.810 1.00 5.58 O ATOM 60 CB PHE A 4 3.431 -8.709 4.203 1.00 4.83 C ATOM 61 CG PHE A 4 4.560 -9.741 4.209 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.623 -10.770 3.240 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.652 -9.609 5.075 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.719 -11.619 3.284 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.714 -10.559 5.131 1.00 10.61 C ATOM 66 CZ PHE A 4 6.785 -11.525 4.232 1.00 8.90 C ATOM 0 H PHE A 4 4.984 -6.699 3.210 1.00 4.55 H new ATOM 0 HA PHE A 4 2.902 -8.552 2.130 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.594 -8.021 5.033 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.493 -9.229 4.399 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.849 -10.890 2.496 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.692 -8.750 5.729 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.771 -12.408 2.549 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.460 -10.489 5.908 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.615 -12.216 4.214 1.00 8.90 H new ATOM 76 N VAL A 5 1.133 -6.816 2.725 1.00 4.44 N ATOM 77 CA VAL A 5 0.250 -5.734 2.981 1.00 3.87 C ATOM 78 C VAL A 5 -0.875 -6.372 3.751 1.00 4.93 C ATOM 79 O VAL A 5 -1.284 -7.471 3.445 1.00 6.84 O ATOM 80 CB VAL A 5 -0.242 -5.078 1.669 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.414 -4.146 1.827 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.941 -4.409 0.903 1.00 9.13 C ATOM 0 H VAL A 5 0.741 -7.589 2.188 1.00 4.44 H new ATOM 0 HA VAL A 5 0.723 -4.921 3.532 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.633 -5.896 1.063 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.686 -3.736 0.855 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.261 -4.694 2.240 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.144 -3.333 2.501 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.569 -3.955 -0.016 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.393 -3.641 1.531 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.689 -5.163 0.658 1.00 9.13 H new ATOM 92 N LYS A 6 -1.449 -5.715 4.777 1.00 6.04 N ATOM 93 CA LYS A 6 -2.438 -6.416 5.490 1.00 6.12 C ATOM 94 C LYS A 6 -3.612 -5.461 5.737 1.00 6.57 C ATOM 95 O LYS A 6 -3.482 -4.250 5.882 1.00 5.76 O ATOM 96 CB LYS A 6 -1.990 -7.006 6.920 1.00 7.45 C ATOM 97 CG LYS A 6 -1.371 -6.023 7.977 1.00 11.12 C ATOM 98 CD LYS A 6 -0.963 -6.796 9.173 1.00 14.54 C ATOM 99 CE LYS A 6 -2.056 -7.544 10.022 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.438 -8.277 11.165 1.00 20.55 N ATOM 0 H LYS A 6 -1.240 -4.766 5.087 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.685 -7.278 4.871 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.864 -7.473 7.374 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.263 -7.798 6.739 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.511 -5.506 7.552 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.098 -5.259 8.252 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.236 -7.540 8.848 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.442 -6.111 9.842 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.784 -6.825 10.398 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.598 -8.245 9.387 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.180 -8.762 11.709 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.761 -8.978 10.802 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.941 -7.603 11.782 1.00 20.55 H new ATOM 114 N THR A 7 -4.792 -6.128 5.829 1.00 7.41 N ATOM 115 CA THR A 7 -6.098 -5.441 5.913 1.00 7.48 C ATOM 116 C THR A 7 -6.512 -5.359 7.405 1.00 8.75 C ATOM 117 O THR A 7 -6.310 -6.308 8.168 1.00 8.58 O ATOM 118 CB THR A 7 -7.234 -5.990 5.044 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.167 -7.424 5.029 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.139 -5.452 3.622 1.00 9.17 C ATOM 0 H THR A 7 -4.860 -7.146 5.847 1.00 7.41 H new ATOM 0 HA THR A 7 -5.938 -4.454 5.480 1.00 7.48 H new ATOM 0 HB THR A 7 -8.186 -5.668 5.466 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.783 -7.787 5.699 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.956 -5.856 3.025 1.00 9.17 H new ATOM 0 HG22 THR A 7 -7.206 -4.364 3.639 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.187 -5.750 3.183 1.00 9.17 H new ATOM 128 N LEU A 8 -7.095 -4.234 7.818 1.00 9.84 N ATOM 129 CA LEU A 8 -7.440 -3.921 9.231 1.00 14.15 C ATOM 130 C LEU A 8 -8.422 -4.866 9.920 1.00 17.37 C ATOM 131 O LEU A 8 -8.322 -5.218 11.102 1.00 17.01 O ATOM 132 CB LEU A 8 -7.984 -2.452 9.179 1.00 16.63 C ATOM 133 CG LEU A 8 -8.166 -1.701 10.547 1.00 18.88 C ATOM 134 CD1 LEU A 8 -6.960 -1.538 11.409 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.885 -0.282 10.298 1.00 18.59 C ATOM 0 H LEU A 8 -7.353 -3.487 7.173 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.554 -4.047 9.853 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.308 -1.864 8.559 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.949 -2.468 8.672 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.793 -2.373 11.133 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.233 -1.003 12.319 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.564 -2.519 11.670 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -6.201 -0.972 10.869 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.009 0.235 11.250 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.271 0.325 9.632 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.862 -0.444 9.843 1.00 18.59 H new ATOM 147 N THR A 9 -9.364 -5.417 9.106 1.00 18.33 N ATOM 148 CA THR A 9 -10.385 -6.361 9.543 1.00 19.24 C ATOM 149 C THR A 9 -9.821 -7.796 9.498 1.00 19.48 C ATOM 150 O THR A 9 -10.526 -8.799 9.560 1.00 23.14 O ATOM 151 CB THR A 9 -11.611 -6.269 8.669 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.220 -6.329 7.324 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.230 -4.873 8.904 1.00 19.70 C ATOM 0 H THR A 9 -9.421 -5.201 8.111 1.00 18.33 H new ATOM 0 HA THR A 9 -10.670 -6.112 10.565 1.00 19.24 H new ATOM 0 HB THR A 9 -12.308 -7.075 8.899 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.012 -6.271 6.750 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.123 -4.763 8.289 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.498 -4.766 9.955 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.506 -4.104 8.634 1.00 19.70 H new ATOM 161 N GLY A 10 -8.501 -7.999 9.417 1.00 19.43 N ATOM 162 CA GLY A 10 -7.832 -9.299 9.293 1.00 18.74 C ATOM 163 C GLY A 10 -7.447 -9.513 7.866 1.00 17.62 C ATOM 164 O GLY A 10 -7.913 -8.828 6.991 1.00 19.74 O ATOM 0 H GLY A 10 -7.838 -7.224 9.437 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.948 -9.330 9.930 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.495 -10.097 9.628 1.00 18.74 H new ATOM 168 N LYS A 11 -6.550 -10.470 7.701 1.00 13.56 N ATOM 169 CA LYS A 11 -6.083 -10.986 6.409 1.00 11.91 C ATOM 170 C LYS A 11 -4.835 -10.292 5.906 1.00 10.18 C ATOM 171 O LYS A 11 -4.722 -9.089 5.909 1.00 9.10 O ATOM 172 CB LYS A 11 -7.122 -11.150 5.279 1.00 13.43 C ATOM 173 CG LYS A 11 -6.671 -11.926 3.966 1.00 16.69 C ATOM 174 CD LYS A 11 -7.686 -11.876 2.861 1.00 17.92 C ATOM 175 CE LYS A 11 -7.107 -12.439 1.532 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.099 -12.396 0.426 1.00 21.93 N ATOM 0 H LYS A 11 -6.103 -10.934 8.492 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.839 -12.014 6.677 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.988 -11.666 5.693 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.455 -10.155 4.983 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.734 -11.501 3.607 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.473 -12.967 4.219 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.567 -12.450 3.148 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.012 -10.847 2.710 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.225 -11.864 1.249 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.781 -13.468 1.686 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.707 -12.872 -0.411 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.971 -12.879 0.723 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.315 -11.406 0.192 1.00 21.93 H new ATOM 190 N THR A 12 -3.818 -11.076 5.441 1.00 9.63 N ATOM 191 CA THR A 12 -2.572 -10.550 4.935 1.00 9.85 C ATOM 192 C THR A 12 -2.483 -10.949 3.488 1.00 11.66 C ATOM 193 O THR A 12 -2.849 -12.056 3.134 1.00 12.33 O ATOM 194 CB THR A 12 -1.366 -11.037 5.710 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.493 -10.783 7.088 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.049 -10.293 5.272 1.00 9.63 C ATOM 0 H THR A 12 -3.868 -12.095 5.419 1.00 9.63 H new ATOM 0 HA THR A 12 -2.564 -9.466 5.049 1.00 9.85 H new ATOM 0 HB THR A 12 -1.311 -12.106 5.502 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.697 -11.112 7.556 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.793 -10.672 5.852 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.133 -10.469 4.212 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.160 -9.223 5.449 1.00 9.63 H new ATOM 204 N ILE A 13 -1.982 -10.019 2.587 1.00 10.42 N ATOM 205 CA ILE A 13 -1.683 -10.347 1.214 1.00 11.84 C ATOM 206 C ILE A 13 -0.189 -10.150 0.916 1.00 10.55 C ATOM 207 O ILE A 13 0.405 -9.223 1.383 1.00 11.92 O ATOM 208 CB ILE A 13 -2.563 -9.649 0.251 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.620 -8.112 0.466 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.952 -10.301 0.427 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.145 -7.430 -0.788 1.00 16.46 C ATOM 0 H ILE A 13 -1.792 -9.047 2.831 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.901 -11.406 1.077 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.180 -9.757 -0.764 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.265 -7.879 1.314 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.627 -7.733 0.707 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.662 -9.835 -0.256 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.884 -11.367 0.208 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.292 -10.162 1.453 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.182 -6.352 -0.628 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.484 -7.650 -1.626 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.147 -7.798 -1.010 1.00 16.46 H new ATOM 223 N THR A 14 0.446 -11.079 0.190 1.00 9.39 N ATOM 224 CA THR A 14 1.882 -11.061 -0.116 1.00 9.63 C ATOM 225 C THR A 14 2.024 -10.619 -1.521 1.00 11.20 C ATOM 226 O THR A 14 1.341 -11.108 -2.462 1.00 11.63 O ATOM 227 CB THR A 14 2.616 -12.392 0.153 1.00 10.38 C ATOM 228 OG1 THR A 14 2.327 -12.830 1.523 1.00 16.30 O ATOM 229 CG2 THR A 14 4.067 -12.236 0.059 1.00 11.66 C ATOM 0 H THR A 14 -0.036 -11.883 -0.211 1.00 9.39 H new ATOM 0 HA THR A 14 2.372 -10.367 0.567 1.00 9.63 H new ATOM 0 HB THR A 14 2.273 -13.110 -0.592 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.789 -13.676 1.700 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.549 -13.194 0.254 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.332 -11.894 -0.941 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.403 -11.504 0.794 1.00 11.66 H new ATOM 237 N LEU A 15 2.814 -9.601 -1.720 1.00 8.29 N ATOM 238 CA LEU A 15 3.006 -8.953 -2.980 1.00 9.03 C ATOM 239 C LEU A 15 4.495 -8.915 -3.279 1.00 8.59 C ATOM 240 O LEU A 15 5.327 -8.851 -2.373 1.00 7.79 O ATOM 241 CB LEU A 15 2.580 -7.486 -3.031 1.00 11.08 C ATOM 242 CG LEU A 15 1.112 -7.178 -2.755 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.802 -5.696 -2.768 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.241 -7.843 -3.864 1.00 15.27 C ATOM 0 H LEU A 15 3.366 -9.184 -0.970 1.00 8.29 H new ATOM 0 HA LEU A 15 2.396 -9.524 -3.680 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.183 -6.934 -2.310 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.827 -7.096 -4.018 1.00 11.08 H new ATOM 0 HG LEU A 15 0.892 -7.565 -1.760 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.258 -5.544 -2.565 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.393 -5.194 -2.002 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.047 -5.282 -3.746 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.811 -7.629 -3.677 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.525 -7.444 -4.838 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.400 -8.921 -3.854 1.00 15.27 H new ATOM 256 N GLU A 16 4.835 -8.915 -4.619 1.00 11.04 N ATOM 257 CA GLU A 16 6.148 -8.694 -5.256 1.00 11.50 C ATOM 258 C GLU A 16 6.167 -7.365 -5.994 1.00 10.13 C ATOM 259 O GLU A 16 5.284 -7.029 -6.759 1.00 9.83 O ATOM 260 CB GLU A 16 6.385 -9.929 -6.196 1.00 17.22 C ATOM 261 CG GLU A 16 7.823 -10.003 -6.721 1.00 23.33 C ATOM 262 CD GLU A 16 8.894 -10.335 -5.739 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.710 -11.281 -4.932 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.954 -9.686 -5.696 1.00 28.90 O ATOM 0 H GLU A 16 4.118 -9.087 -5.324 1.00 11.04 H new ATOM 0 HA GLU A 16 6.957 -8.625 -4.529 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.153 -10.845 -5.652 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.697 -9.876 -7.039 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.853 -10.747 -7.517 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.067 -9.042 -7.173 1.00 23.33 H new ATOM 271 N VAL A 17 7.218 -6.563 -5.749 1.00 8.99 N ATOM 272 CA VAL A 17 7.268 -5.176 -6.160 1.00 8.85 C ATOM 273 C VAL A 17 8.695 -4.707 -6.350 1.00 8.04 C ATOM 274 O VAL A 17 9.651 -5.401 -6.127 1.00 8.99 O ATOM 275 CB VAL A 17 6.646 -4.109 -5.117 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.156 -4.249 -4.798 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.413 -4.162 -3.782 1.00 10.54 C ATOM 0 H VAL A 17 8.055 -6.875 -5.256 1.00 8.99 H new ATOM 0 HA VAL A 17 6.673 -5.189 -7.073 1.00 8.85 H new ATOM 0 HB VAL A 17 6.756 -3.158 -5.637 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.862 -3.476 -4.088 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.576 -4.140 -5.714 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.967 -5.231 -4.364 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.985 -3.439 -3.088 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.335 -5.163 -3.357 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.462 -3.922 -3.955 1.00 10.54 H new ATOM 287 N GLU A 18 8.963 -3.478 -6.790 1.00 7.29 N ATOM 288 CA GLU A 18 10.305 -2.909 -6.741 1.00 7.08 C ATOM 289 C GLU A 18 10.426 -1.700 -5.876 1.00 6.45 C ATOM 290 O GLU A 18 9.491 -0.975 -5.563 1.00 5.28 O ATOM 291 CB GLU A 18 10.816 -2.411 -8.092 1.00 10.28 C ATOM 292 CG GLU A 18 10.773 -3.541 -9.148 1.00 12.65 C ATOM 293 CD GLU A 18 11.902 -4.634 -9.114 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.111 -4.321 -8.791 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.603 -5.772 -9.493 1.00 14.33 O ATOM 0 H GLU A 18 8.260 -2.854 -7.187 1.00 7.29 H new ATOM 0 HA GLU A 18 10.877 -3.755 -6.358 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.209 -1.570 -8.428 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.837 -2.045 -7.987 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.814 -4.050 -9.052 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.790 -3.076 -10.134 1.00 12.65 H new ATOM 302 N PRO A 19 11.571 -1.242 -5.313 1.00 7.24 N ATOM 303 CA PRO A 19 11.622 -0.127 -4.365 1.00 7.07 C ATOM 304 C PRO A 19 11.235 1.218 -4.994 1.00 6.65 C ATOM 305 O PRO A 19 10.824 2.118 -4.269 1.00 6.37 O ATOM 306 CB PRO A 19 13.067 -0.127 -3.874 1.00 7.61 C ATOM 307 CG PRO A 19 13.422 -1.575 -3.944 1.00 8.16 C ATOM 308 CD PRO A 19 12.760 -2.062 -5.242 1.00 7.49 C ATOM 0 HA PRO A 19 10.899 -0.253 -3.559 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.712 0.482 -4.507 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.153 0.265 -2.861 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.502 -1.720 -3.969 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.047 -2.119 -3.077 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.407 -1.915 -6.107 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.519 -3.124 -5.201 1.00 7.49 H new ATOM 316 N SER A 20 11.438 1.415 -6.317 1.00 6.80 N ATOM 317 CA SER A 20 11.103 2.618 -6.980 1.00 6.28 C ATOM 318 C SER A 20 9.735 2.576 -7.664 1.00 8.45 C ATOM 319 O SER A 20 9.400 3.528 -8.384 1.00 7.26 O ATOM 320 CB SER A 20 12.182 3.106 -8.065 1.00 8.57 C ATOM 321 OG SER A 20 13.524 3.229 -7.558 1.00 11.13 O ATOM 0 H SER A 20 11.847 0.710 -6.930 1.00 6.80 H new ATOM 0 HA SER A 20 11.085 3.337 -6.161 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.185 2.403 -8.898 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.868 4.071 -8.463 1.00 8.57 H new ATOM 0 HG SER A 20 14.119 3.528 -8.277 1.00 11.13 H new ATOM 327 N ASP A 21 8.879 1.551 -7.388 1.00 7.50 N ATOM 328 CA ASP A 21 7.472 1.606 -7.666 1.00 7.70 C ATOM 329 C ASP A 21 6.809 2.614 -6.707 1.00 7.08 C ATOM 330 O ASP A 21 7.037 2.598 -5.501 1.00 8.11 O ATOM 331 CB ASP A 21 6.713 0.241 -7.487 1.00 11.00 C ATOM 332 CG ASP A 21 7.205 -0.711 -8.591 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.606 -0.151 -9.654 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.028 -1.974 -8.463 1.00 18.03 O ATOM 0 H ASP A 21 9.179 0.673 -6.964 1.00 7.50 H new ATOM 0 HA ASP A 21 7.396 1.891 -8.715 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.910 -0.181 -6.501 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.636 0.389 -7.561 1.00 11.00 H new ATOM 339 N THR A 22 5.879 3.449 -7.210 1.00 5.37 N ATOM 340 CA THR A 22 5.193 4.423 -6.417 1.00 6.01 C ATOM 341 C THR A 22 4.059 3.852 -5.601 1.00 8.01 C ATOM 342 O THR A 22 3.524 2.745 -5.843 1.00 8.11 O ATOM 343 CB THR A 22 4.585 5.549 -7.197 1.00 8.92 C ATOM 344 OG1 THR A 22 3.734 5.171 -8.293 1.00 10.22 O ATOM 345 CG2 THR A 22 5.709 6.469 -7.745 1.00 9.65 C ATOM 0 H THR A 22 5.598 3.446 -8.191 1.00 5.37 H new ATOM 0 HA THR A 22 5.999 4.789 -5.782 1.00 6.01 H new ATOM 0 HB THR A 22 3.938 6.056 -6.482 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.389 5.976 -8.732 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.265 7.287 -8.312 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.285 6.874 -6.913 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.367 5.892 -8.395 1.00 9.65 H new ATOM 353 N ILE A 23 3.569 4.631 -4.630 1.00 8.32 N ATOM 354 CA ILE A 23 2.478 4.130 -3.832 1.00 9.92 C ATOM 355 C ILE A 23 1.141 4.190 -4.612 1.00 10.01 C ATOM 356 O ILE A 23 0.250 3.358 -4.386 1.00 8.71 O ATOM 357 CB ILE A 23 2.367 4.997 -2.589 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.655 5.077 -1.760 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.175 4.685 -1.688 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.188 3.711 -1.304 1.00 12.30 C ATOM 0 H ILE A 23 3.901 5.566 -4.395 1.00 8.32 H new ATOM 0 HA ILE A 23 2.673 3.090 -3.572 1.00 9.92 H new ATOM 0 HB ILE A 23 2.187 5.984 -3.016 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.424 5.578 -2.349 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.472 5.696 -0.882 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.183 5.356 -0.829 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.250 4.823 -2.248 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.240 3.653 -1.343 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.100 3.852 -0.724 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.438 3.215 -0.687 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.405 3.095 -2.177 1.00 12.30 H new ATOM 372 N GLU A 24 0.906 4.976 -5.712 1.00 9.54 N ATOM 373 CA GLU A 24 -0.118 4.725 -6.645 1.00 11.81 C ATOM 374 C GLU A 24 -0.003 3.364 -7.332 1.00 11.14 C ATOM 375 O GLU A 24 -1.045 2.746 -7.668 1.00 10.62 O ATOM 376 CB GLU A 24 -0.252 5.859 -7.694 1.00 19.24 C ATOM 377 CG GLU A 24 -1.707 6.020 -8.228 1.00 27.76 C ATOM 378 CD GLU A 24 -1.788 7.266 -9.148 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.873 8.373 -8.584 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.922 7.168 -10.416 1.00 34.80 O ATOM 0 H GLU A 24 1.461 5.803 -5.931 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.033 4.700 -6.053 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.073 6.799 -7.249 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.416 5.655 -8.530 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.004 5.128 -8.780 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.402 6.125 -7.395 1.00 27.76 H new ATOM 387 N ASN A 25 1.181 2.756 -7.634 1.00 9.43 N ATOM 388 CA ASN A 25 1.346 1.512 -8.359 1.00 10.96 C ATOM 389 C ASN A 25 1.152 0.321 -7.431 1.00 9.68 C ATOM 390 O ASN A 25 0.772 -0.812 -7.794 1.00 9.33 O ATOM 391 CB ASN A 25 2.790 1.399 -8.957 1.00 16.78 C ATOM 392 CG ASN A 25 3.024 2.375 -10.152 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.114 3.030 -10.702 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.261 2.346 -10.666 1.00 24.70 N ATOM 0 H ASN A 25 2.075 3.160 -7.354 1.00 9.43 H new ATOM 0 HA ASN A 25 0.602 1.508 -9.156 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.520 1.607 -8.175 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.962 0.375 -9.290 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.471 2.864 -11.519 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.993 1.806 -10.204 1.00 24.70 H new ATOM 401 N VAL A 26 1.506 0.513 -6.096 1.00 6.52 N ATOM 402 CA VAL A 26 1.179 -0.485 -5.048 1.00 5.53 C ATOM 403 C VAL A 26 -0.284 -0.595 -4.879 1.00 4.42 C ATOM 404 O VAL A 26 -0.802 -1.731 -4.839 1.00 3.40 O ATOM 405 CB VAL A 26 1.885 -0.277 -3.686 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.673 -1.419 -2.651 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.420 -0.293 -4.079 1.00 8.12 C ATOM 0 H VAL A 26 2.004 1.335 -5.753 1.00 6.52 H new ATOM 0 HA VAL A 26 1.583 -1.427 -5.418 1.00 5.53 H new ATOM 0 HB VAL A 26 1.499 0.625 -3.211 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.207 -1.180 -1.731 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.609 -1.523 -2.437 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.054 -2.355 -3.059 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.026 -0.153 -3.184 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.668 -1.250 -4.539 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.623 0.512 -4.785 1.00 8.12 H new ATOM 417 N LYS A 27 -1.125 0.453 -4.827 1.00 2.64 N ATOM 418 CA LYS A 27 -2.549 0.305 -4.859 1.00 4.14 C ATOM 419 C LYS A 27 -3.158 -0.380 -6.095 1.00 5.58 C ATOM 420 O LYS A 27 -4.178 -1.088 -6.027 1.00 4.11 O ATOM 421 CB LYS A 27 -3.253 1.699 -4.580 1.00 3.97 C ATOM 422 CG LYS A 27 -2.872 2.246 -3.095 1.00 7.45 C ATOM 423 CD LYS A 27 -3.506 3.581 -2.638 1.00 9.02 C ATOM 424 CE LYS A 27 -2.982 4.788 -3.436 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.774 6.015 -3.297 1.00 15.47 N ATOM 0 H LYS A 27 -0.812 1.421 -4.762 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.754 -0.406 -4.058 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.944 2.426 -5.331 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.334 1.591 -4.667 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.149 1.478 -2.373 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.789 2.354 -3.045 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.589 3.521 -2.746 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.300 3.733 -1.579 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.959 4.996 -3.121 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.942 4.517 -4.491 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.418 6.735 -3.957 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.771 5.811 -3.512 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.696 6.370 -2.323 1.00 15.47 H new ATOM 439 N ALA A 28 -2.506 -0.132 -7.244 1.00 6.61 N ATOM 440 CA ALA A 28 -2.867 -0.792 -8.485 1.00 7.74 C ATOM 441 C ALA A 28 -2.546 -2.331 -8.417 1.00 9.17 C ATOM 442 O ALA A 28 -3.336 -3.158 -8.815 1.00 11.45 O ATOM 443 CB ALA A 28 -2.065 -0.160 -9.634 1.00 7.68 C ATOM 0 H ALA A 28 -1.728 0.523 -7.327 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.937 -0.669 -8.651 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.328 -0.648 -10.573 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.299 0.903 -9.700 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.999 -0.286 -9.446 1.00 7.68 H new ATOM 449 N LYS A 29 -1.410 -2.714 -7.809 1.00 8.96 N ATOM 450 CA LYS A 29 -1.098 -4.114 -7.527 1.00 7.90 C ATOM 451 C LYS A 29 -2.025 -4.774 -6.502 1.00 6.92 C ATOM 452 O LYS A 29 -2.422 -5.923 -6.608 1.00 6.87 O ATOM 453 CB LYS A 29 0.385 -4.266 -7.101 1.00 10.28 C ATOM 454 CG LYS A 29 0.939 -5.663 -7.038 1.00 14.94 C ATOM 455 CD LYS A 29 2.484 -5.653 -6.925 1.00 19.69 C ATOM 456 CE LYS A 29 3.193 -5.287 -8.239 1.00 22.63 C ATOM 457 NZ LYS A 29 2.892 -6.250 -9.290 1.00 24.98 N ATOM 0 H LYS A 29 -0.689 -2.060 -7.503 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.269 -4.648 -8.462 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.997 -3.690 -7.795 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.503 -3.810 -6.118 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.513 -6.187 -6.182 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.641 -6.215 -7.930 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.779 -4.943 -6.152 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.823 -6.637 -6.600 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.884 -4.291 -8.556 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.270 -5.249 -8.075 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.577 -6.143 -10.065 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.953 -7.214 -8.905 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.931 -6.081 -9.651 1.00 24.98 H new ATOM 471 N ILE A 30 -2.492 -3.978 -5.514 1.00 4.57 N ATOM 472 CA ILE A 30 -3.569 -4.285 -4.558 1.00 5.58 C ATOM 473 C ILE A 30 -4.887 -4.476 -5.188 1.00 7.26 C ATOM 474 O ILE A 30 -5.550 -5.461 -4.860 1.00 9.46 O ATOM 475 CB ILE A 30 -3.715 -3.300 -3.454 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.466 -3.306 -2.549 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.887 -3.616 -2.523 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.318 -2.079 -1.613 1.00 2.00 C ATOM 0 H ILE A 30 -2.101 -3.049 -5.357 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.235 -5.231 -4.131 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.871 -2.342 -3.951 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.485 -4.208 -1.937 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.580 -3.369 -3.181 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.942 -2.862 -1.738 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.816 -3.614 -3.094 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.740 -4.598 -2.073 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.409 -2.181 -1.020 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.261 -1.170 -2.211 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.180 -2.022 -0.948 1.00 2.00 H new ATOM 490 N GLN A 31 -5.289 -3.573 -6.132 1.00 7.06 N ATOM 491 CA GLN A 31 -6.455 -3.872 -6.925 1.00 8.67 C ATOM 492 C GLN A 31 -6.444 -5.198 -7.651 1.00 10.90 C ATOM 493 O GLN A 31 -7.341 -6.025 -7.465 1.00 9.63 O ATOM 494 CB GLN A 31 -6.687 -2.768 -7.957 1.00 9.12 C ATOM 495 CG GLN A 31 -8.029 -2.759 -8.728 1.00 10.76 C ATOM 496 CD GLN A 31 -8.160 -1.759 -9.835 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.991 -0.880 -9.853 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.293 -1.995 -10.847 1.00 14.76 N ATOM 0 H GLN A 31 -4.831 -2.685 -6.334 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.260 -3.935 -6.192 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.589 -1.810 -7.447 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.882 -2.823 -8.690 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.188 -3.753 -9.146 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.832 -2.582 -8.012 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.615 -2.753 -10.771 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.318 -1.415 -11.686 1.00 14.76 H new ATOM 507 N ASP A 32 -5.343 -5.497 -8.342 1.00 10.93 N ATOM 508 CA ASP A 32 -5.144 -6.713 -9.091 1.00 14.01 C ATOM 509 C ASP A 32 -5.286 -7.957 -8.191 1.00 14.04 C ATOM 510 O ASP A 32 -5.749 -9.038 -8.586 1.00 13.39 O ATOM 511 CB ASP A 32 -3.694 -6.640 -9.685 1.00 18.01 C ATOM 512 CG ASP A 32 -3.649 -7.531 -10.892 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.403 -7.386 -11.911 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.944 -8.597 -10.833 1.00 25.17 O ATOM 0 H ASP A 32 -4.542 -4.867 -8.389 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.896 -6.803 -9.875 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.444 -5.615 -9.957 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.961 -6.961 -8.945 1.00 18.01 H new ATOM 519 N LYS A 33 -4.777 -7.797 -6.931 1.00 14.22 N ATOM 520 CA LYS A 33 -4.834 -8.865 -5.913 1.00 14.00 C ATOM 521 C LYS A 33 -6.224 -9.055 -5.384 1.00 12.37 C ATOM 522 O LYS A 33 -6.777 -10.161 -5.514 1.00 12.17 O ATOM 523 CB LYS A 33 -3.814 -8.589 -4.725 1.00 18.62 C ATOM 524 CG LYS A 33 -3.684 -9.746 -3.809 1.00 24.00 C ATOM 525 CD LYS A 33 -3.023 -11.022 -4.349 1.00 27.61 C ATOM 526 CE LYS A 33 -1.687 -11.533 -3.601 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.083 -12.815 -4.051 1.00 30.06 N ATOM 0 H LYS A 33 -4.328 -6.940 -6.609 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.537 -9.791 -6.406 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.836 -8.346 -5.139 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.146 -7.718 -4.160 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.117 -9.420 -2.937 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.682 -10.009 -3.460 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.759 -11.825 -4.313 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.781 -10.859 -5.399 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.930 -10.755 -3.700 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.913 -11.625 -2.539 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.235 -13.017 -3.484 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.772 -13.585 -3.930 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.819 -12.741 -5.054 1.00 30.06 H new ATOM 541 N GLU A 34 -6.939 -8.045 -4.886 1.00 10.11 N ATOM 542 CA GLU A 34 -8.140 -8.226 -4.124 1.00 10.07 C ATOM 543 C GLU A 34 -9.456 -7.543 -4.611 1.00 9.32 C ATOM 544 O GLU A 34 -10.504 -7.591 -3.932 1.00 11.61 O ATOM 545 CB GLU A 34 -7.821 -7.597 -2.743 1.00 14.77 C ATOM 546 CG GLU A 34 -6.809 -8.381 -1.966 1.00 18.75 C ATOM 547 CD GLU A 34 -7.308 -9.740 -1.427 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.343 -10.813 -2.157 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.786 -9.653 -0.290 1.00 25.19 O ATOM 0 H GLU A 34 -6.681 -7.066 -5.013 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.360 -9.292 -4.176 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.453 -6.581 -2.888 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.740 -7.523 -2.162 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.941 -8.556 -2.602 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.471 -7.776 -1.125 1.00 18.75 H new ATOM 556 N GLY A 35 -9.412 -6.882 -5.826 1.00 7.22 N ATOM 557 CA GLY A 35 -10.671 -6.294 -6.347 1.00 6.29 C ATOM 558 C GLY A 35 -11.056 -4.969 -5.900 1.00 6.93 C ATOM 559 O GLY A 35 -12.172 -4.488 -6.107 1.00 7.41 O ATOM 0 H GLY A 35 -8.584 -6.758 -6.408 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.599 -6.269 -7.434 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.483 -6.977 -6.097 1.00 6.29 H new ATOM 563 N ILE A 36 -10.148 -4.162 -5.228 1.00 5.86 N ATOM 564 CA ILE A 36 -10.505 -2.967 -4.433 1.00 6.07 C ATOM 565 C ILE A 36 -10.138 -1.806 -5.264 1.00 6.36 C ATOM 566 O ILE A 36 -8.957 -1.625 -5.513 1.00 6.18 O ATOM 567 CB ILE A 36 -9.759 -2.878 -3.106 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.788 -4.116 -2.205 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.313 -1.696 -2.260 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.420 -4.314 -1.527 1.00 9.49 C ATOM 0 H ILE A 36 -9.145 -4.346 -5.239 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.565 -3.008 -4.183 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.723 -2.750 -3.420 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.564 -4.005 -1.448 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.041 -4.997 -2.794 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.774 -1.641 -1.314 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.181 -0.763 -2.808 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.373 -1.854 -2.064 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.454 -5.197 -0.889 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.652 -4.446 -2.289 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.184 -3.439 -0.922 1.00 9.49 H new ATOM 582 N PRO A 37 -10.974 -0.936 -5.799 1.00 8.65 N ATOM 583 CA PRO A 37 -10.500 0.340 -6.437 1.00 9.18 C ATOM 584 C PRO A 37 -9.393 1.135 -5.715 1.00 9.85 C ATOM 585 O PRO A 37 -9.475 1.228 -4.490 1.00 8.51 O ATOM 586 CB PRO A 37 -11.801 1.117 -6.533 1.00 11.42 C ATOM 587 CG PRO A 37 -12.881 0.084 -6.716 1.00 9.27 C ATOM 588 CD PRO A 37 -12.433 -1.099 -5.839 1.00 8.33 C ATOM 0 HA PRO A 37 -9.985 0.138 -7.376 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.972 1.707 -5.632 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.780 1.814 -7.371 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.853 0.465 -6.402 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.976 -0.210 -7.761 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.873 -1.054 -4.843 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.722 -2.057 -6.272 1.00 8.33 H new ATOM 596 N PRO A 38 -8.372 1.710 -6.369 1.00 8.71 N ATOM 597 CA PRO A 38 -7.435 2.599 -5.718 1.00 9.08 C ATOM 598 C PRO A 38 -7.976 3.703 -4.871 1.00 9.28 C ATOM 599 O PRO A 38 -7.515 3.820 -3.774 1.00 6.50 O ATOM 600 CB PRO A 38 -6.415 3.060 -6.758 1.00 10.31 C ATOM 601 CG PRO A 38 -6.338 1.803 -7.627 1.00 10.81 C ATOM 602 CD PRO A 38 -7.769 1.147 -7.561 1.00 12.00 C ATOM 0 HA PRO A 38 -6.959 2.007 -4.936 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.754 3.933 -7.316 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.454 3.319 -6.313 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.069 2.053 -8.653 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.576 1.117 -7.256 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.354 1.381 -8.450 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.705 0.061 -7.498 1.00 12.00 H new ATOM 610 N ASP A 39 -9.075 4.412 -5.259 1.00 11.20 N ATOM 611 CA ASP A 39 -9.594 5.597 -4.517 1.00 14.96 C ATOM 612 C ASP A 39 -10.437 5.155 -3.369 1.00 13.99 C ATOM 613 O ASP A 39 -10.893 5.992 -2.618 1.00 13.75 O ATOM 614 CB ASP A 39 -10.296 6.655 -5.468 1.00 24.16 C ATOM 615 CG ASP A 39 -9.477 7.064 -6.678 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.517 6.389 -7.723 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.753 8.108 -6.524 1.00 34.22 O ATOM 0 H ASP A 39 -9.621 4.180 -6.088 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.748 6.141 -4.097 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.244 6.241 -5.811 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.529 7.547 -4.886 1.00 24.16 H new ATOM 622 N GLN A 40 -10.619 3.850 -3.154 1.00 11.60 N ATOM 623 CA GLN A 40 -11.109 3.288 -1.944 1.00 10.76 C ATOM 624 C GLN A 40 -10.062 2.573 -1.090 1.00 8.01 C ATOM 625 O GLN A 40 -10.312 1.766 -0.202 1.00 8.96 O ATOM 626 CB GLN A 40 -12.254 2.289 -2.285 1.00 11.14 C ATOM 627 CG GLN A 40 -13.273 2.933 -3.186 1.00 14.85 C ATOM 628 CD GLN A 40 -14.591 2.120 -3.278 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.504 1.013 -3.761 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.733 2.587 -2.696 1.00 18.16 N ATOM 0 H GLN A 40 -10.413 3.147 -3.863 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.455 4.128 -1.342 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.839 1.405 -2.770 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.735 1.952 -1.367 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.494 3.935 -2.819 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.850 3.045 -4.184 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.757 3.528 -2.303 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.563 1.995 -2.654 1.00 18.16 H new ATOM 639 N GLN A 41 -8.763 2.779 -1.356 1.00 6.52 N ATOM 640 CA GLN A 41 -7.724 2.264 -0.457 1.00 3.87 C ATOM 641 C GLN A 41 -6.827 3.422 0.123 1.00 4.79 C ATOM 642 O GLN A 41 -6.736 4.550 -0.388 1.00 6.34 O ATOM 643 CB GLN A 41 -6.703 1.458 -1.264 1.00 4.20 C ATOM 644 CG GLN A 41 -7.363 0.316 -2.129 1.00 3.20 C ATOM 645 CD GLN A 41 -6.237 -0.320 -2.884 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.078 -0.235 -2.502 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.549 -0.740 -4.091 1.00 7.13 N ATOM 0 H GLN A 41 -8.414 3.287 -2.168 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.252 1.704 0.315 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.154 2.132 -1.921 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.977 1.016 -0.582 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.870 -0.412 -1.496 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.111 0.723 -2.810 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.527 -0.798 -4.374 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.813 -1.008 -4.744 1.00 7.13 H new ATOM 656 N ARG A 42 -6.088 3.162 1.219 1.00 5.73 N ATOM 657 CA ARG A 42 -5.103 4.066 1.828 1.00 6.97 C ATOM 658 C ARG A 42 -4.089 3.149 2.447 1.00 7.15 C ATOM 659 O ARG A 42 -4.410 2.030 2.847 1.00 7.33 O ATOM 660 CB ARG A 42 -5.740 4.881 2.966 1.00 13.23 C ATOM 661 CG ARG A 42 -6.704 5.966 2.468 1.00 21.27 C ATOM 662 CD ARG A 42 -7.103 7.046 3.423 1.00 26.14 C ATOM 663 NE ARG A 42 -7.866 8.078 2.655 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.617 8.998 3.263 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.015 8.809 4.518 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.000 10.089 2.676 1.00 36.39 N ATOM 0 H ARG A 42 -6.167 2.278 1.722 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.695 4.760 1.093 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.277 4.205 3.631 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.951 5.348 3.555 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.251 6.441 1.598 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.613 5.472 2.124 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.716 6.638 4.227 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.222 7.489 3.887 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.811 8.078 1.637 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.746 7.960 5.016 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.589 9.513 4.982 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.727 10.271 1.710 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.574 10.765 3.180 1.00 36.39 H new ATOM 680 N LEU A 43 -2.831 3.695 2.472 1.00 4.65 N ATOM 681 CA LEU A 43 -1.660 2.933 2.831 1.00 3.51 C ATOM 682 C LEU A 43 -0.980 3.586 4.030 1.00 5.56 C ATOM 683 O LEU A 43 -0.592 4.790 4.017 1.00 4.19 O ATOM 684 CB LEU A 43 -0.746 2.697 1.582 1.00 3.74 C ATOM 685 CG LEU A 43 -1.275 1.523 0.803 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.463 1.368 -0.479 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.252 0.189 1.501 1.00 6.41 C ATOM 0 H LEU A 43 -2.636 4.669 2.241 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.932 1.929 3.156 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.728 3.588 0.955 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.280 2.508 1.897 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.325 1.765 0.639 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.841 0.519 -1.049 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.551 2.275 -1.077 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.584 1.199 -0.228 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.658 -0.575 0.838 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.225 -0.066 1.764 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.856 0.242 2.407 1.00 6.41 H new ATOM 699 N ILE A 44 -0.884 2.871 5.161 1.00 4.58 N ATOM 700 CA ILE A 44 -0.414 3.350 6.450 1.00 5.55 C ATOM 701 C ILE A 44 0.963 2.700 6.770 1.00 5.46 C ATOM 702 O ILE A 44 1.031 1.456 6.745 1.00 6.04 O ATOM 703 CB ILE A 44 -1.376 3.133 7.581 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.862 3.407 7.316 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.874 3.910 8.877 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.191 4.862 7.169 1.00 13.90 C ATOM 0 H ILE A 44 -1.150 1.887 5.192 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.318 4.432 6.362 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.360 2.053 7.731 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.163 2.882 6.409 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.450 2.992 8.134 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.577 3.748 9.694 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.109 3.539 9.166 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.810 4.976 8.660 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.259 4.977 6.984 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.923 5.390 8.084 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.631 5.279 6.332 1.00 13.90 H new ATOM 718 N PHE A 45 2.083 3.402 7.002 1.00 6.75 N ATOM 719 CA PHE A 45 3.239 2.733 7.393 1.00 4.70 C ATOM 720 C PHE A 45 4.006 3.776 8.155 1.00 6.34 C ATOM 721 O PHE A 45 4.038 4.965 7.955 1.00 5.45 O ATOM 722 CB PHE A 45 4.081 2.266 6.174 1.00 5.51 C ATOM 723 CG PHE A 45 5.440 1.610 6.480 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.522 0.302 6.928 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.566 2.382 6.329 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.779 -0.232 7.207 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.814 1.886 6.590 1.00 6.64 C ATOM 728 CZ PHE A 45 7.948 0.587 7.015 1.00 6.84 C ATOM 0 H PHE A 45 2.170 4.415 6.916 1.00 6.75 H new ATOM 0 HA PHE A 45 3.011 1.835 7.967 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.484 1.558 5.600 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.257 3.129 5.532 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.630 -0.292 7.059 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.464 3.404 5.996 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.875 -1.247 7.563 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.686 2.510 6.463 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.930 0.180 7.205 1.00 6.84 H new ATOM 738 N ALA A 46 4.678 3.282 9.208 1.00 6.53 N ATOM 739 CA ALA A 46 5.437 4.063 10.136 1.00 7.15 C ATOM 740 C ALA A 46 4.637 5.100 10.977 1.00 9.00 C ATOM 741 O ALA A 46 5.213 6.092 11.428 1.00 11.15 O ATOM 742 CB ALA A 46 6.711 4.638 9.502 1.00 8.99 C ATOM 0 H ALA A 46 4.693 2.285 9.424 1.00 6.53 H new ATOM 0 HA ALA A 46 5.748 3.344 10.893 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.254 5.223 10.244 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.342 3.822 9.150 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.442 5.278 8.661 1.00 8.99 H new ATOM 748 N GLY A 47 3.333 4.846 11.161 1.00 9.35 N ATOM 749 CA GLY A 47 2.485 5.806 11.757 1.00 11.68 C ATOM 750 C GLY A 47 1.938 6.905 10.860 1.00 11.14 C ATOM 751 O GLY A 47 1.098 7.684 11.326 1.00 13.93 O ATOM 0 H GLY A 47 2.873 3.975 10.895 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.639 5.280 12.200 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.031 6.278 12.574 1.00 11.68 H new ATOM 755 N LYS A 48 2.366 6.951 9.532 1.00 10.47 N ATOM 756 CA LYS A 48 1.911 7.960 8.630 1.00 8.82 C ATOM 757 C LYS A 48 1.298 7.266 7.480 1.00 7.68 C ATOM 758 O LYS A 48 1.700 6.224 7.002 1.00 6.47 O ATOM 759 CB LYS A 48 3.093 8.844 8.344 1.00 9.74 C ATOM 760 CG LYS A 48 4.257 8.271 7.494 1.00 14.14 C ATOM 761 CD LYS A 48 5.435 9.239 7.498 1.00 16.32 C ATOM 762 CE LYS A 48 6.662 8.706 6.830 1.00 20.04 C ATOM 763 NZ LYS A 48 7.677 9.767 6.603 1.00 23.92 N ATOM 0 H LYS A 48 3.019 6.283 9.121 1.00 10.47 H new ATOM 0 HA LYS A 48 1.134 8.623 9.010 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.724 9.738 7.841 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.507 9.164 9.300 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.568 7.306 7.893 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.921 8.100 6.471 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.135 10.162 7.002 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.678 9.496 8.529 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.095 7.916 7.443 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.389 8.255 5.876 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.511 9.355 6.138 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.274 10.509 5.996 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.958 10.180 7.515 1.00 23.92 H new ATOM 777 N GLN A 49 0.209 7.881 6.993 1.00 8.89 N ATOM 778 CA GLN A 49 -0.307 7.601 5.674 1.00 7.18 C ATOM 779 C GLN A 49 0.741 7.854 4.634 1.00 8.23 C ATOM 780 O GLN A 49 1.437 8.889 4.700 1.00 9.70 O ATOM 781 CB GLN A 49 -1.583 8.457 5.375 1.00 11.67 C ATOM 782 CG GLN A 49 -2.226 8.047 4.026 1.00 15.82 C ATOM 783 CD GLN A 49 -3.533 8.924 3.731 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.242 9.248 4.650 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.853 9.309 2.489 1.00 20.67 N ATOM 0 H GLN A 49 -0.325 8.579 7.510 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.587 6.548 5.641 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.307 8.330 6.180 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.318 9.514 5.349 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.505 8.178 3.219 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.489 6.990 4.050 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.260 9.041 1.703 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.689 9.871 2.329 1.00 20.67 H new ATOM 794 N LEU A 50 0.867 6.987 3.616 1.00 6.51 N ATOM 795 CA LEU A 50 1.773 7.151 2.474 1.00 7.41 C ATOM 796 C LEU A 50 1.097 7.771 1.305 1.00 8.27 C ATOM 797 O LEU A 50 -0.081 7.565 1.013 1.00 8.34 O ATOM 798 CB LEU A 50 2.430 5.768 2.164 1.00 7.13 C ATOM 799 CG LEU A 50 2.988 4.935 3.262 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.762 3.776 2.599 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.898 5.757 4.144 1.00 9.11 C ATOM 0 H LEU A 50 0.322 6.126 3.566 1.00 6.51 H new ATOM 0 HA LEU A 50 2.566 7.856 2.725 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.682 5.164 1.650 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.237 5.947 1.454 1.00 7.13 H new ATOM 0 HG LEU A 50 2.193 4.549 3.900 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.190 3.136 3.371 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.082 3.192 1.980 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.561 4.181 1.978 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.296 5.129 4.941 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.721 6.153 3.549 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.335 6.582 4.579 1.00 9.11 H new ATOM 813 N GLU A 51 1.906 8.546 0.523 1.00 9.43 N ATOM 814 CA GLU A 51 1.424 9.533 -0.484 1.00 11.90 C ATOM 815 C GLU A 51 1.785 9.006 -1.840 1.00 11.49 C ATOM 816 O GLU A 51 2.879 8.590 -2.168 1.00 9.88 O ATOM 817 CB GLU A 51 2.121 10.914 -0.295 1.00 16.56 C ATOM 818 CG GLU A 51 1.607 11.900 -1.354 1.00 26.06 C ATOM 819 CD GLU A 51 2.003 13.248 -0.941 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.503 13.791 0.115 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.774 13.861 -1.694 1.00 32.13 O ATOM 0 H GLU A 51 2.923 8.500 0.578 1.00 9.43 H new ATOM 0 HA GLU A 51 0.349 9.669 -0.370 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.920 11.300 0.704 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.202 10.802 -0.382 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.025 11.662 -2.332 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.523 11.832 -1.445 1.00 26.06 H new ATOM 828 N ASP A 52 0.722 9.059 -2.709 1.00 12.71 N ATOM 829 CA ASP A 52 0.582 8.359 -3.959 1.00 16.56 C ATOM 830 C ASP A 52 1.784 8.437 -4.937 1.00 15.83 C ATOM 831 O ASP A 52 2.306 7.445 -5.419 1.00 17.21 O ATOM 832 CB ASP A 52 -0.635 8.936 -4.672 1.00 21.05 C ATOM 833 CG ASP A 52 -1.881 8.863 -3.823 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.963 9.398 -2.674 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.853 8.227 -4.287 1.00 25.82 O ATOM 0 H ASP A 52 -0.093 9.639 -2.508 1.00 12.71 H new ATOM 0 HA ASP A 52 0.498 7.305 -3.694 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.439 9.975 -4.938 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.800 8.394 -5.603 1.00 21.05 H new ATOM 840 N GLY A 53 2.307 9.621 -5.183 1.00 15.00 N ATOM 841 CA GLY A 53 3.310 9.810 -6.161 1.00 11.77 C ATOM 842 C GLY A 53 4.678 9.411 -5.598 1.00 11.10 C ATOM 843 O GLY A 53 5.645 9.469 -6.349 1.00 11.25 O ATOM 0 H GLY A 53 2.032 10.474 -4.695 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.084 9.213 -7.045 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.329 10.853 -6.477 1.00 11.77 H new ATOM 847 N ARG A 54 4.812 9.077 -4.345 1.00 8.53 N ATOM 848 CA ARG A 54 6.173 8.757 -3.776 1.00 9.05 C ATOM 849 C ARG A 54 6.447 7.331 -3.819 1.00 8.96 C ATOM 850 O ARG A 54 5.525 6.518 -4.058 1.00 11.60 O ATOM 851 CB ARG A 54 6.305 9.463 -2.395 1.00 7.97 C ATOM 852 CG ARG A 54 5.783 10.940 -2.289 1.00 9.62 C ATOM 853 CD ARG A 54 6.259 11.738 -1.022 1.00 12.20 C ATOM 854 NE ARG A 54 5.442 13.010 -0.971 1.00 18.23 N ATOM 855 CZ ARG A 54 5.627 13.967 -0.039 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.429 13.839 0.992 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.745 15.008 -0.022 1.00 23.38 N ATOM 0 H ARG A 54 4.042 9.009 -3.680 1.00 8.53 H new ATOM 0 HA ARG A 54 6.977 9.161 -4.391 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.772 8.863 -1.657 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.358 9.456 -2.112 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.100 11.483 -3.179 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.693 10.923 -2.297 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.113 11.149 -0.117 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.323 11.965 -1.086 1.00 12.20 H new ATOM 0 HE ARG A 54 4.717 13.151 -1.675 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.957 12.976 1.123 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.524 14.602 1.662 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.982 15.041 -0.698 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.849 15.753 0.667 1.00 23.38 H new ATOM 871 N THR A 55 7.693 6.946 -3.704 1.00 9.05 N ATOM 872 CA THR A 55 8.032 5.566 -3.889 1.00 9.03 C ATOM 873 C THR A 55 8.249 4.880 -2.511 1.00 8.15 C ATOM 874 O THR A 55 8.453 5.498 -1.452 1.00 5.91 O ATOM 875 CB THR A 55 9.256 5.276 -4.797 1.00 11.15 C ATOM 876 OG1 THR A 55 10.553 5.711 -4.330 1.00 11.95 O ATOM 877 CG2 THR A 55 8.999 6.043 -6.064 1.00 11.71 C ATOM 0 H THR A 55 8.476 7.562 -3.486 1.00 9.05 H new ATOM 0 HA THR A 55 7.176 5.152 -4.421 1.00 9.03 H new ATOM 0 HB THR A 55 9.324 4.190 -4.868 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.545 6.682 -4.201 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.825 5.887 -6.758 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.072 5.694 -6.519 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.913 7.105 -5.835 1.00 11.71 H new ATOM 885 N LEU A 56 8.198 3.555 -2.492 1.00 6.91 N ATOM 886 CA LEU A 56 8.537 2.712 -1.355 1.00 8.29 C ATOM 887 C LEU A 56 9.959 3.066 -0.737 1.00 8.05 C ATOM 888 O LEU A 56 10.138 3.082 0.495 1.00 10.17 O ATOM 889 CB LEU A 56 8.485 1.278 -1.787 1.00 6.60 C ATOM 890 CG LEU A 56 7.149 0.788 -2.194 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.259 -0.506 -2.968 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.297 0.554 -0.840 1.00 8.64 C ATOM 0 H LEU A 56 7.906 3.015 -3.306 1.00 6.91 H new ATOM 0 HA LEU A 56 7.809 2.892 -0.564 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.173 1.142 -2.621 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.848 0.656 -0.969 1.00 6.60 H new ATOM 0 HG LEU A 56 6.663 1.514 -2.845 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.263 -0.844 -3.255 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.859 -0.345 -3.863 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.734 -1.264 -2.345 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.301 0.191 -1.095 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.802 -0.182 -0.215 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.212 1.495 -0.296 1.00 8.64 H new ATOM 904 N SER A 57 10.889 3.392 -1.669 1.00 8.92 N ATOM 905 CA SER A 57 12.317 3.737 -1.432 1.00 9.00 C ATOM 906 C SER A 57 12.394 5.102 -0.741 1.00 9.44 C ATOM 907 O SER A 57 13.293 5.324 0.072 1.00 10.91 O ATOM 908 CB SER A 57 13.201 3.769 -2.712 1.00 10.32 C ATOM 909 OG SER A 57 14.519 4.275 -2.480 1.00 13.59 O ATOM 0 H SER A 57 10.652 3.424 -2.661 1.00 8.92 H new ATOM 0 HA SER A 57 12.718 2.938 -0.808 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.274 2.761 -3.120 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.712 4.384 -3.467 1.00 10.32 H new ATOM 0 HG SER A 57 15.024 4.269 -3.320 1.00 13.59 H new ATOM 915 N ASP A 58 11.363 5.991 -1.005 1.00 9.11 N ATOM 916 CA ASP A 58 11.319 7.322 -0.408 1.00 7.91 C ATOM 917 C ASP A 58 10.927 7.233 1.022 1.00 9.12 C ATOM 918 O ASP A 58 11.251 8.054 1.879 1.00 8.61 O ATOM 919 CB ASP A 58 10.388 8.372 -1.095 1.00 8.41 C ATOM 920 CG ASP A 58 10.803 8.560 -2.549 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.987 8.916 -2.774 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.992 8.194 -3.443 1.00 11.70 O ATOM 0 H ASP A 58 10.578 5.782 -1.622 1.00 9.11 H new ATOM 0 HA ASP A 58 12.336 7.690 -0.548 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.351 8.040 -1.044 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.445 9.323 -0.566 1.00 8.41 H new ATOM 927 N TYR A 59 10.119 6.237 1.273 1.00 7.97 N ATOM 928 CA TYR A 59 9.602 5.937 2.599 1.00 8.45 C ATOM 929 C TYR A 59 10.396 4.855 3.371 1.00 10.98 C ATOM 930 O TYR A 59 10.056 4.511 4.491 1.00 12.95 O ATOM 931 CB TYR A 59 8.122 5.458 2.496 1.00 7.94 C ATOM 932 CG TYR A 59 7.133 6.509 2.140 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.887 7.420 3.166 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.449 6.528 0.939 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.958 8.427 2.886 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.537 7.593 0.720 1.00 6.52 C ATOM 937 CZ TYR A 59 5.262 8.511 1.689 1.00 6.76 C ATOM 938 OH TYR A 59 4.335 9.478 1.505 1.00 7.63 O ATOM 0 H TYR A 59 9.790 5.594 0.553 1.00 7.97 H new ATOM 0 HA TYR A 59 9.696 6.869 3.157 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.066 4.664 1.751 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.833 5.020 3.451 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.385 7.352 4.122 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.603 5.761 0.195 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.773 9.178 3.640 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.048 7.678 -0.239 1.00 6.52 H new ATOM 0 HH TYR A 59 4.780 10.348 1.433 1.00 7.63 H new ATOM 948 N ASN A 60 11.543 4.507 2.822 1.00 12.38 N ATOM 949 CA ASN A 60 12.545 3.552 3.261 1.00 13.94 C ATOM 950 C ASN A 60 11.956 2.167 3.659 1.00 14.16 C ATOM 951 O ASN A 60 12.340 1.636 4.712 1.00 14.26 O ATOM 952 CB ASN A 60 13.491 4.076 4.395 1.00 19.23 C ATOM 953 CG ASN A 60 13.857 5.549 4.164 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.416 6.450 4.915 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.761 5.837 3.191 1.00 24.09 N ATOM 0 H ASN A 60 11.831 4.943 1.946 1.00 12.38 H new ATOM 0 HA ASN A 60 13.157 3.417 2.369 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.001 3.966 5.363 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.398 3.472 4.426 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.088 6.795 3.066 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.113 5.095 2.586 1.00 24.09 H new ATOM 962 N ILE A 61 10.988 1.729 2.882 1.00 11.08 N ATOM 963 CA ILE A 61 10.300 0.428 3.013 1.00 11.78 C ATOM 964 C ILE A 61 11.127 -0.690 2.355 1.00 13.74 C ATOM 965 O ILE A 61 11.684 -0.418 1.264 1.00 14.60 O ATOM 966 CB ILE A 61 8.939 0.410 2.443 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.034 1.323 3.335 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.288 -0.989 2.317 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.782 1.715 2.579 1.00 11.42 C ATOM 0 H ILE A 61 10.631 2.282 2.103 1.00 11.08 H new ATOM 0 HA ILE A 61 10.204 0.260 4.086 1.00 11.78 H new ATOM 0 HB ILE A 61 9.029 0.771 1.418 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.765 0.797 4.251 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.584 2.216 3.630 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.291 -0.889 1.888 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.900 -1.618 1.671 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.214 -1.446 3.304 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.160 2.350 3.210 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.058 2.259 1.676 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.226 0.818 2.307 1.00 11.42 H new ATOM 981 N GLN A 62 11.314 -1.819 3.094 1.00 13.97 N ATOM 982 CA GLN A 62 12.293 -2.828 2.750 1.00 15.52 C ATOM 983 C GLN A 62 11.720 -4.233 2.382 1.00 13.94 C ATOM 984 O GLN A 62 10.488 -4.369 2.436 1.00 12.15 O ATOM 985 CB GLN A 62 13.317 -2.939 3.876 1.00 19.53 C ATOM 986 CG GLN A 62 14.367 -1.785 4.045 1.00 26.38 C ATOM 987 CD GLN A 62 15.096 -1.808 5.405 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.962 -0.975 6.306 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.900 -2.845 5.520 1.00 32.71 N ATOM 0 H GLN A 62 10.781 -2.032 3.937 1.00 13.97 H new ATOM 0 HA GLN A 62 12.758 -2.484 1.826 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.770 -3.031 4.814 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.866 -3.870 3.735 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.105 -1.856 3.246 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.862 -0.826 3.929 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.984 -3.512 4.753 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.438 -2.981 6.376 1.00 32.71 H new ATOM 998 N LYS A 63 12.568 -5.224 1.937 1.00 11.73 N ATOM 999 CA LYS A 63 12.099 -6.601 1.653 1.00 11.97 C ATOM 1000 C LYS A 63 11.609 -7.284 2.922 1.00 10.41 C ATOM 1001 O LYS A 63 12.088 -7.161 4.053 1.00 9.59 O ATOM 1002 CB LYS A 63 13.204 -7.459 1.009 1.00 13.73 C ATOM 1003 CG LYS A 63 14.460 -7.591 1.876 1.00 16.98 C ATOM 1004 CD LYS A 63 15.629 -8.252 1.144 1.00 20.19 C ATOM 1005 CE LYS A 63 17.004 -8.140 1.867 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.972 -8.922 3.044 1.00 25.97 N ATOM 0 H LYS A 63 13.565 -5.082 1.774 1.00 11.73 H new ATOM 0 HA LYS A 63 11.272 -6.512 0.948 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.808 -8.454 0.804 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.479 -7.022 0.049 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.765 -6.601 2.216 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.220 -8.174 2.766 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.397 -9.307 0.998 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.718 -7.805 0.154 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.803 -8.482 1.210 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.216 -7.099 2.112 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.888 -8.852 3.532 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.218 -8.575 3.671 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.787 -9.915 2.796 1.00 25.97 H new ATOM 1020 N GLU A 64 10.603 -8.163 2.760 1.00 10.04 N ATOM 1021 CA GLU A 64 9.984 -8.944 3.857 1.00 10.94 C ATOM 1022 C GLU A 64 9.525 -8.131 5.053 1.00 9.74 C ATOM 1023 O GLU A 64 9.765 -8.458 6.191 1.00 9.42 O ATOM 1024 CB GLU A 64 10.945 -10.045 4.321 1.00 18.31 C ATOM 1025 CG GLU A 64 11.224 -11.007 3.135 1.00 24.16 C ATOM 1026 CD GLU A 64 12.424 -11.900 3.338 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.204 -11.776 4.268 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.431 -12.888 2.544 1.00 31.72 O ATOM 0 H GLU A 64 10.187 -8.357 1.849 1.00 10.04 H new ATOM 0 HA GLU A 64 9.075 -9.366 3.428 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.877 -9.606 4.676 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.512 -10.594 5.157 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.344 -11.629 2.971 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.371 -10.418 2.230 1.00 24.16 H new ATOM 1035 N SER A 65 8.681 -7.106 4.751 1.00 6.85 N ATOM 1036 CA SER A 65 8.142 -6.133 5.681 1.00 6.90 C ATOM 1037 C SER A 65 6.646 -5.972 5.468 1.00 4.72 C ATOM 1038 O SER A 65 6.079 -6.202 4.411 1.00 3.91 O ATOM 1039 CB SER A 65 8.685 -4.706 5.407 1.00 7.28 C ATOM 1040 OG SER A 65 8.494 -3.712 6.444 1.00 10.56 O ATOM 0 H SER A 65 8.355 -6.948 3.797 1.00 6.85 H new ATOM 0 HA SER A 65 8.413 -6.500 6.671 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.754 -4.784 5.207 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.217 -4.336 4.495 1.00 7.28 H new ATOM 0 HG SER A 65 8.879 -2.859 6.154 1.00 10.56 H new ATOM 1046 N THR A 66 5.916 -5.532 6.589 1.00 4.48 N ATOM 1047 CA THR A 66 4.486 -5.451 6.666 1.00 3.80 C ATOM 1048 C THR A 66 4.014 -4.044 6.585 1.00 4.60 C ATOM 1049 O THR A 66 4.350 -3.243 7.451 1.00 5.33 O ATOM 1050 CB THR A 66 4.010 -6.005 8.056 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.333 -7.387 8.153 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.457 -5.864 8.168 1.00 3.40 C ATOM 0 H THR A 66 6.374 -5.232 7.450 1.00 4.48 H new ATOM 0 HA THR A 66 4.083 -6.027 5.833 1.00 3.80 H new ATOM 0 HB THR A 66 4.503 -5.443 8.849 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.037 -7.732 9.021 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.125 -6.248 9.133 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.180 -4.813 8.081 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.981 -6.432 7.368 1.00 3.40 H new ATOM 1060 N LEU A 67 3.151 -3.758 5.588 1.00 4.17 N ATOM 1061 CA LEU A 67 2.611 -2.451 5.336 1.00 3.85 C ATOM 1062 C LEU A 67 1.117 -2.528 5.703 1.00 3.80 C ATOM 1063 O LEU A 67 0.463 -3.461 5.370 1.00 5.54 O ATOM 1064 CB LEU A 67 2.672 -2.148 3.788 1.00 7.18 C ATOM 1065 CG LEU A 67 4.162 -2.035 3.197 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.049 -1.116 1.916 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.035 -1.327 4.234 1.00 11.66 C ATOM 0 H LEU A 67 2.816 -4.464 4.932 1.00 4.17 H new ATOM 0 HA LEU A 67 3.159 -1.693 5.896 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.140 -2.935 3.254 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.143 -1.216 3.591 1.00 7.18 H new ATOM 0 HG LEU A 67 4.590 -3.009 2.961 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.034 -0.999 1.464 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.372 -1.577 1.196 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.663 -0.138 2.203 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.053 -1.239 3.854 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.634 -0.333 4.430 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.042 -1.904 5.159 1.00 11.66 H new ATOM 1079 N HIS A 68 0.639 -1.545 6.436 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.781 -1.557 6.835 1.00 4.17 C ATOM 1081 C HIS A 68 -1.594 -0.859 5.715 1.00 5.32 C ATOM 1082 O HIS A 68 -1.242 0.146 5.123 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.007 -0.884 8.191 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.244 -1.583 9.292 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.009 -1.073 10.532 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.347 -2.790 9.274 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.826 -1.899 11.169 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.019 -3.000 10.467 1.00 16.30 N ATOM 0 H HIS A 68 1.179 -0.745 6.766 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.114 -2.587 6.958 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.695 0.159 8.137 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.071 -0.887 8.426 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.304 -3.491 8.453 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.281 -1.694 12.127 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.549 -3.827 10.743 1.00 16.30 H new ATOM 1096 N LEU A 69 -2.810 -1.387 5.411 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.769 -0.956 4.442 1.00 3.97 C ATOM 1098 C LEU A 69 -5.031 -0.689 5.226 1.00 5.07 C ATOM 1099 O LEU A 69 -5.468 -1.562 5.953 1.00 4.34 O ATOM 1100 CB LEU A 69 -3.847 -2.056 3.376 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.013 -2.037 2.344 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.075 -0.732 1.557 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -4.946 -3.173 1.294 1.00 9.96 C ATOM 0 H LEU A 69 -3.146 -2.211 5.910 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.534 -0.042 3.897 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -2.913 -2.035 2.815 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -3.885 -3.013 3.896 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.897 -2.166 2.969 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.905 -0.771 0.852 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.222 0.101 2.245 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.142 -0.592 1.011 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.793 -3.089 0.613 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.017 -3.092 0.730 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -4.981 -4.138 1.799 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.643 0.515 5.046 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.012 0.672 5.552 1.00 6.26 C ATOM 1117 C VAL A 70 -7.906 1.046 4.430 1.00 9.22 C ATOM 1118 O VAL A 70 -7.586 1.876 3.584 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.046 1.613 6.746 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.218 1.042 7.935 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.530 3.105 6.379 1.00 8.54 C ATOM 0 H VAL A 70 -5.236 1.330 4.587 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.392 -0.272 5.943 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.092 1.691 7.043 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.260 1.736 8.774 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.632 0.080 8.238 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.181 0.909 7.626 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.575 3.735 7.268 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.502 3.057 6.021 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.165 3.529 5.601 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.060 0.402 4.438 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.935 0.401 3.245 1.00 16.06 C ATOM 1133 C LEU A 71 -11.085 1.311 3.523 1.00 18.09 C ATOM 1134 O LEU A 71 -11.634 1.262 4.603 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.418 -1.045 2.931 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.343 -1.867 2.221 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.690 -3.280 1.726 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.691 -1.107 1.115 1.00 19.57 C ATOM 0 H LEU A 71 -9.422 -0.122 5.235 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.392 0.754 2.368 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.700 -1.542 3.859 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.311 -1.001 2.308 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.660 -2.044 3.052 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.817 -3.722 1.247 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.992 -3.898 2.572 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.508 -3.223 1.008 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.935 -1.732 0.641 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.441 -0.822 0.377 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.220 -0.210 1.518 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.454 2.093 2.456 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.523 3.045 2.399 1.00 25.83 C ATOM 1152 C ARG A 72 -13.591 2.532 1.538 1.00 27.74 C ATOM 1153 O ARG A 72 -14.366 3.283 0.948 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.842 4.351 1.913 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.467 5.598 2.529 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.760 6.823 1.915 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.537 7.964 2.553 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.333 9.236 2.200 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.821 9.602 1.068 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.699 10.096 3.118 1.00 35.02 N ATOM 0 H ARG A 72 -10.951 2.040 1.570 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.025 3.235 3.348 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.781 4.319 2.162 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.912 4.412 0.827 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.537 5.631 2.325 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.349 5.591 3.613 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.700 6.855 2.167 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.829 6.836 0.827 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.232 7.752 3.269 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.546 8.899 0.382 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.693 10.593 0.863 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.095 9.765 3.998 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.588 11.096 2.953 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.657 1.202 1.387 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.571 0.478 0.529 1.00 30.76 C ATOM 1176 C LEU A 73 -16.048 0.822 0.839 1.00 32.18 C ATOM 1177 O LEU A 73 -16.826 1.019 -0.094 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.423 -1.087 0.652 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.405 -1.986 -0.166 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.232 -1.775 -1.689 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.408 -3.472 0.157 1.00 29.11 C ATOM 0 H LEU A 73 -13.032 0.577 1.896 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.306 0.791 -0.481 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.407 -1.350 0.358 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.528 -1.350 1.705 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.383 -1.634 0.163 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.931 -2.416 -2.227 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.432 -0.732 -1.937 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.212 -2.028 -1.978 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.132 -3.981 -0.479 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -14.415 -3.885 -0.020 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.680 -3.616 1.203 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.408 0.942 2.088 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.724 1.433 2.545 1.00 35.33 C ATOM 1195 C ARG A 74 -17.692 2.814 2.958 1.00 36.22 C ATOM 1196 O ARG A 74 -18.528 3.196 3.770 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.277 0.569 3.669 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.233 -0.948 3.398 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.962 -1.439 2.120 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.986 -2.847 2.222 1.00 41.13 N ATOM 1201 CZ ARG A 74 -19.042 -3.674 1.185 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -19.622 -3.300 0.057 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.677 -4.913 1.389 1.00 41.93 N ATOM 0 H ARG A 74 -15.787 0.698 2.859 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.387 1.364 1.682 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.715 0.778 4.579 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.310 0.861 3.858 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.189 -1.254 3.335 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.665 -1.462 4.257 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.971 -1.032 2.062 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.437 -1.119 1.220 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.958 -3.257 3.156 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -20.031 -2.369 -0.022 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -19.660 -3.942 -0.734 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.366 -5.207 2.315 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.703 -5.585 0.622 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.745 3.673 2.458 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.758 5.140 2.823 1.00 36.07 C ATOM 1219 C GLY A 75 -15.877 5.389 4.066 1.00 36.16 C ATOM 1220 O GLY A 75 -15.300 4.440 4.589 1.00 36.26 O ATOM 0 H GLY A 75 -15.992 3.396 1.828 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.393 5.734 1.985 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.780 5.464 3.022 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.761 6.664 4.436 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.066 7.099 5.663 1.00 36.19 C ATOM 1226 C GLY A 76 -14.022 8.146 5.404 1.00 36.20 C ATOM 1227 O GLY A 76 -14.327 9.326 5.121 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.841 7.806 5.477 1.00 0.00 O ATOM 0 H GLY A 76 -16.148 7.436 3.893 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.798 7.490 6.370 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.598 6.235 6.135 1.00 36.19 H new TER 1232 GLY A 76