USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 GLN : amide:sc= 0.929 X(o=2,f=2) USER MOD Set 1.2: A 36 ASN : amide:sc= 1.08 X(o=2,f=2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0299 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.04 K(o=1,f=-3.5!) USER MOD Single : A 4 TYR OH : rot -166:sc= 1.26 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.41 K(o=-2.4,f=-1.9) USER MOD Single : A 23 MET CE :methyl -177:sc= 0 (180deg=-0.00986) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0.79 (180deg=0.79) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -134:sc= 1.9 (180deg=-0.179) USER MOD Single : A 51 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.2) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 55 SER OG : rot 74:sc= 1.79 USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.09) USER MOD Single : A 62 ASN : amide:sc= 0.868 K(o=0.87,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.17 USER MOD Single : A 67 SER OG : rot -20:sc= -0.0155 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00857 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.162 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.494 K(o=0.49,f=-1.9!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0941 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.112 -0.307 -0.721 1.00 0.00 N ATOM 2 CA MET A 1 1.264 -0.178 -1.267 1.00 0.00 C ATOM 3 C MET A 1 1.840 -1.566 -1.553 1.00 0.00 C ATOM 4 O MET A 1 1.527 -2.525 -0.847 1.00 0.00 O ATOM 5 CB MET A 1 2.212 0.591 -0.319 1.00 0.00 C ATOM 6 CG MET A 1 1.824 2.058 -0.090 1.00 0.00 C ATOM 7 SD MET A 1 1.684 3.053 -1.600 1.00 0.00 S ATOM 8 CE MET A 1 1.293 4.670 -0.877 1.00 0.00 C ATOM 0 H1 MET A 1 -0.798 0.031 -1.426 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.306 -1.305 -0.500 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.197 0.263 0.145 1.00 0.00 H new ATOM 0 HA MET A 1 1.190 0.399 -2.189 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.237 0.080 0.643 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.222 0.554 -0.726 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.871 2.089 0.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.566 2.517 0.563 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.173 5.405 -1.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.367 4.599 -0.306 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.103 4.979 -0.217 1.00 0.00 H new ATOM 20 N LEU A 2 2.699 -1.681 -2.568 1.00 0.00 N ATOM 21 CA LEU A 2 3.449 -2.890 -2.912 1.00 0.00 C ATOM 22 C LEU A 2 4.899 -2.483 -3.190 1.00 0.00 C ATOM 23 O LEU A 2 5.234 -1.295 -3.146 1.00 0.00 O ATOM 24 CB LEU A 2 2.828 -3.583 -4.144 1.00 0.00 C ATOM 25 CG LEU A 2 1.457 -4.246 -3.913 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.930 -4.786 -5.248 1.00 0.00 C ATOM 27 CD2 LEU A 2 1.523 -5.396 -2.901 1.00 0.00 C ATOM 0 H LEU A 2 2.899 -0.904 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 2 3.413 -3.602 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.726 -2.846 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.524 -4.343 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 2 0.790 -3.486 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.041 -5.257 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.825 -3.965 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.630 -5.521 -5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.530 -5.828 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.208 -6.162 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.878 -5.017 -1.942 1.00 0.00 H new ATOM 39 N GLN A 3 5.752 -3.464 -3.481 1.00 0.00 N ATOM 40 CA GLN A 3 7.155 -3.290 -3.819 1.00 0.00 C ATOM 41 C GLN A 3 7.515 -4.315 -4.896 1.00 0.00 C ATOM 42 O GLN A 3 6.915 -5.392 -4.956 1.00 0.00 O ATOM 43 CB GLN A 3 7.980 -3.450 -2.525 1.00 0.00 C ATOM 44 CG GLN A 3 9.508 -3.288 -2.630 1.00 0.00 C ATOM 45 CD GLN A 3 10.271 -4.615 -2.704 1.00 0.00 C ATOM 46 OE1 GLN A 3 9.919 -5.527 -3.448 1.00 0.00 O ATOM 47 NE2 GLN A 3 11.340 -4.764 -1.939 1.00 0.00 N ATOM 0 H GLN A 3 5.467 -4.443 -3.487 1.00 0.00 H new ATOM 0 HA GLN A 3 7.371 -2.302 -4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.614 -2.722 -1.801 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.774 -4.439 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.741 -2.697 -3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.864 -2.724 -1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.634 -4.008 -1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.870 -5.635 -1.968 1.00 0.00 H new ATOM 56 N TYR A 4 8.492 -3.999 -5.744 1.00 0.00 N ATOM 57 CA TYR A 4 9.162 -4.987 -6.574 1.00 0.00 C ATOM 58 C TYR A 4 10.644 -4.665 -6.709 1.00 0.00 C ATOM 59 O TYR A 4 11.083 -3.548 -6.419 1.00 0.00 O ATOM 60 CB TYR A 4 8.461 -5.168 -7.934 1.00 0.00 C ATOM 61 CG TYR A 4 8.205 -3.951 -8.806 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.230 -3.036 -9.134 1.00 0.00 C ATOM 63 CD2 TYR A 4 6.939 -3.817 -9.407 1.00 0.00 C ATOM 64 CE1 TYR A 4 8.992 -2.001 -10.050 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.702 -2.797 -10.339 1.00 0.00 C ATOM 66 CZ TYR A 4 7.730 -1.890 -10.668 1.00 0.00 C ATOM 67 OH TYR A 4 7.527 -0.926 -11.601 1.00 0.00 O ATOM 0 H TYR A 4 8.839 -3.048 -5.872 1.00 0.00 H new ATOM 0 HA TYR A 4 9.090 -5.953 -6.074 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.056 -5.870 -8.518 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.499 -5.644 -7.746 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.203 -3.134 -8.676 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.146 -4.504 -9.149 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.773 -1.292 -10.281 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.732 -2.706 -10.805 1.00 0.00 H new ATOM 0 HH TYR A 4 6.566 -0.831 -11.770 1.00 0.00 H new ATOM 77 N ARG A 5 11.399 -5.637 -7.221 1.00 0.00 N ATOM 78 CA ARG A 5 12.781 -5.506 -7.654 1.00 0.00 C ATOM 79 C ARG A 5 12.820 -6.087 -9.062 1.00 0.00 C ATOM 80 O ARG A 5 12.215 -7.132 -9.311 1.00 0.00 O ATOM 81 CB ARG A 5 13.690 -6.251 -6.661 1.00 0.00 C ATOM 82 CG ARG A 5 15.173 -5.848 -6.747 1.00 0.00 C ATOM 83 CD ARG A 5 15.932 -6.525 -5.594 1.00 0.00 C ATOM 84 NE ARG A 5 17.272 -5.953 -5.380 1.00 0.00 N ATOM 85 CZ ARG A 5 18.146 -6.332 -4.441 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.874 -7.330 -3.604 1.00 0.00 N ATOM 87 NH2 ARG A 5 19.303 -5.689 -4.362 1.00 0.00 N ATOM 0 H ARG A 5 11.040 -6.583 -7.349 1.00 0.00 H new ATOM 0 HA ARG A 5 13.141 -4.477 -7.675 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.332 -6.067 -5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.604 -7.323 -6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.593 -6.152 -7.706 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.275 -4.765 -6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.351 -6.430 -4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.026 -7.591 -5.803 1.00 0.00 H new ATOM 0 HE ARG A 5 17.560 -5.200 -6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.984 -7.823 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.556 -7.602 -2.896 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.508 -4.926 -5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 5 19.988 -5.957 -3.655 1.00 0.00 H new ATOM 101 N ILE A 6 13.468 -5.394 -9.990 1.00 0.00 N ATOM 102 CA ILE A 6 13.485 -5.718 -11.408 1.00 0.00 C ATOM 103 C ILE A 6 14.948 -5.662 -11.836 1.00 0.00 C ATOM 104 O ILE A 6 15.666 -4.737 -11.455 1.00 0.00 O ATOM 105 CB ILE A 6 12.565 -4.748 -12.201 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.104 -4.898 -11.717 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.660 -4.965 -13.724 1.00 0.00 C ATOM 108 CD1 ILE A 6 10.042 -4.118 -12.505 1.00 0.00 C ATOM 0 H ILE A 6 14.015 -4.562 -9.767 1.00 0.00 H new ATOM 0 HA ILE A 6 13.085 -6.711 -11.615 1.00 0.00 H new ATOM 0 HB ILE A 6 12.908 -3.732 -12.007 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.842 -5.956 -11.744 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.055 -4.584 -10.674 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.999 -4.264 -14.233 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.686 -4.800 -14.052 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.362 -5.985 -13.965 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.059 -4.303 -12.072 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.264 -3.052 -12.459 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.048 -4.445 -13.545 1.00 0.00 H new ATOM 120 N ILE A 7 15.384 -6.632 -12.635 1.00 0.00 N ATOM 121 CA ILE A 7 16.713 -6.661 -13.232 1.00 0.00 C ATOM 122 C ILE A 7 16.484 -6.469 -14.727 1.00 0.00 C ATOM 123 O ILE A 7 15.524 -7.018 -15.272 1.00 0.00 O ATOM 124 CB ILE A 7 17.448 -7.991 -12.929 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.305 -8.503 -11.474 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.935 -7.878 -13.307 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.779 -7.538 -10.382 1.00 0.00 C ATOM 0 H ILE A 7 14.810 -7.436 -12.890 1.00 0.00 H new ATOM 0 HA ILE A 7 17.356 -5.882 -12.822 1.00 0.00 H new ATOM 0 HB ILE A 7 16.951 -8.738 -13.548 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.257 -8.741 -11.293 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.864 -9.434 -11.379 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.439 -8.820 -13.089 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.024 -7.657 -14.371 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.397 -7.077 -12.730 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.634 -7.996 -9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.837 -7.317 -10.526 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.204 -6.614 -10.439 1.00 0.00 H new ATOM 139 N VAL A 8 17.352 -5.713 -15.393 1.00 0.00 N ATOM 140 CA VAL A 8 17.244 -5.410 -16.812 1.00 0.00 C ATOM 141 C VAL A 8 18.638 -5.597 -17.402 1.00 0.00 C ATOM 142 O VAL A 8 19.630 -5.146 -16.824 1.00 0.00 O ATOM 143 CB VAL A 8 16.693 -3.981 -17.027 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.341 -3.760 -18.504 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.423 -3.696 -16.209 1.00 0.00 C ATOM 0 H VAL A 8 18.166 -5.286 -14.950 1.00 0.00 H new ATOM 0 HA VAL A 8 16.538 -6.072 -17.314 1.00 0.00 H new ATOM 0 HB VAL A 8 17.484 -3.308 -16.697 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.955 -2.750 -18.639 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.234 -3.891 -19.115 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.584 -4.482 -18.809 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.086 -2.678 -16.403 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.640 -4.398 -16.496 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.641 -3.809 -15.147 1.00 0.00 H new ATOM 155 N ASP A 9 18.714 -6.269 -18.546 1.00 0.00 N ATOM 156 CA ASP A 9 19.948 -6.664 -19.208 1.00 0.00 C ATOM 157 C ASP A 9 19.848 -6.283 -20.683 1.00 0.00 C ATOM 158 O ASP A 9 18.747 -6.261 -21.242 1.00 0.00 O ATOM 159 CB ASP A 9 20.129 -8.179 -19.083 1.00 0.00 C ATOM 160 CG ASP A 9 21.418 -8.642 -19.777 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.477 -8.015 -19.550 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.382 -9.649 -20.518 1.00 0.00 O ATOM 0 H ASP A 9 17.882 -6.565 -19.057 1.00 0.00 H new ATOM 0 HA ASP A 9 20.799 -6.162 -18.748 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.159 -8.459 -18.030 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.272 -8.688 -19.524 1.00 0.00 H new ATOM 167 N GLY A 10 20.980 -5.972 -21.313 1.00 0.00 N ATOM 168 CA GLY A 10 21.052 -5.562 -22.706 1.00 0.00 C ATOM 169 C GLY A 10 22.008 -4.389 -22.866 1.00 0.00 C ATOM 170 O GLY A 10 22.848 -4.128 -21.998 1.00 0.00 O ATOM 0 H GLY A 10 21.891 -6.000 -20.855 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.386 -6.398 -23.321 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.060 -5.282 -23.061 1.00 0.00 H new ATOM 174 N ARG A 11 21.862 -3.651 -23.966 1.00 0.00 N ATOM 175 CA ARG A 11 22.523 -2.364 -24.165 1.00 0.00 C ATOM 176 C ARG A 11 21.773 -1.338 -23.316 1.00 0.00 C ATOM 177 O ARG A 11 20.972 -0.567 -23.839 1.00 0.00 O ATOM 178 CB ARG A 11 22.555 -2.039 -25.670 1.00 0.00 C ATOM 179 CG ARG A 11 23.336 -0.759 -26.008 1.00 0.00 C ATOM 180 CD ARG A 11 23.354 -0.538 -27.527 1.00 0.00 C ATOM 181 NE ARG A 11 23.889 0.791 -27.883 1.00 0.00 N ATOM 182 CZ ARG A 11 23.206 1.944 -27.860 1.00 0.00 C ATOM 183 NH1 ARG A 11 21.918 1.957 -27.527 1.00 0.00 N ATOM 184 NH2 ARG A 11 23.820 3.085 -28.157 1.00 0.00 N ATOM 0 H ARG A 11 21.275 -3.934 -24.751 1.00 0.00 H new ATOM 0 HA ARG A 11 23.564 -2.365 -23.843 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.000 -2.878 -26.205 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.532 -1.937 -26.033 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.878 0.097 -25.513 1.00 0.00 H new ATOM 0 HG3 ARG A 11 24.356 -0.836 -25.632 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.959 -1.312 -27.999 1.00 0.00 H new ATOM 0 HD3 ARG A 11 22.343 -0.640 -27.921 1.00 0.00 H new ATOM 0 HE ARG A 11 24.866 0.836 -28.172 1.00 0.00 H new ATOM 0 HH11 ARG A 11 21.444 1.086 -27.287 1.00 0.00 H new ATOM 0 HH12 ARG A 11 21.404 2.838 -27.511 1.00 0.00 H new ATOM 0 HH21 ARG A 11 24.810 3.083 -28.402 1.00 0.00 H new ATOM 0 HH22 ARG A 11 23.301 3.963 -28.140 1.00 0.00 H new ATOM 198 N VAL A 12 21.996 -1.367 -22.004 1.00 0.00 N ATOM 199 CA VAL A 12 21.371 -0.479 -21.021 1.00 0.00 C ATOM 200 C VAL A 12 22.433 0.150 -20.100 1.00 0.00 C ATOM 201 O VAL A 12 22.105 0.870 -19.156 1.00 0.00 O ATOM 202 CB VAL A 12 20.257 -1.228 -20.251 1.00 0.00 C ATOM 203 CG1 VAL A 12 19.051 -1.535 -21.153 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.727 -2.543 -19.608 1.00 0.00 C ATOM 0 H VAL A 12 22.640 -2.033 -21.579 1.00 0.00 H new ATOM 0 HA VAL A 12 20.889 0.351 -21.538 1.00 0.00 H new ATOM 0 HB VAL A 12 19.968 -0.544 -19.453 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.290 -2.061 -20.577 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.636 -0.602 -21.536 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.370 -2.159 -21.987 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.893 -3.011 -19.086 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.094 -3.216 -20.383 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.528 -2.335 -18.898 1.00 0.00 H new ATOM 214 N GLN A 13 23.718 -0.091 -20.377 1.00 0.00 N ATOM 215 CA GLN A 13 24.866 0.506 -19.707 1.00 0.00 C ATOM 216 C GLN A 13 25.855 0.890 -20.812 1.00 0.00 C ATOM 217 O GLN A 13 25.825 0.310 -21.902 1.00 0.00 O ATOM 218 CB GLN A 13 25.470 -0.470 -18.680 1.00 0.00 C ATOM 219 CG GLN A 13 24.469 -0.786 -17.558 1.00 0.00 C ATOM 220 CD GLN A 13 25.053 -1.655 -16.449 1.00 0.00 C ATOM 221 OE1 GLN A 13 25.360 -1.179 -15.361 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.201 -2.949 -16.682 1.00 0.00 N ATOM 0 H GLN A 13 23.994 -0.741 -21.113 1.00 0.00 H new ATOM 0 HA GLN A 13 24.587 1.390 -19.133 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.763 -1.393 -19.180 1.00 0.00 H new ATOM 0 HB3 GLN A 13 26.375 -0.038 -18.253 1.00 0.00 H new ATOM 0 HG2 GLN A 13 24.112 0.149 -17.126 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.603 -1.291 -17.986 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.943 -3.337 -17.590 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.573 -3.559 -15.954 1.00 0.00 H new ATOM 231 N GLY A 14 26.656 1.931 -20.573 1.00 0.00 N ATOM 232 CA GLY A 14 27.268 2.709 -21.654 1.00 0.00 C ATOM 233 C GLY A 14 26.252 3.640 -22.340 1.00 0.00 C ATOM 234 O GLY A 14 26.610 4.356 -23.276 1.00 0.00 O ATOM 0 H GLY A 14 26.897 2.256 -19.637 1.00 0.00 H new ATOM 0 HA2 GLY A 14 28.090 3.302 -21.254 1.00 0.00 H new ATOM 0 HA3 GLY A 14 27.694 2.030 -22.393 1.00 0.00 H new ATOM 238 N VAL A 15 25.002 3.654 -21.863 1.00 0.00 N ATOM 239 CA VAL A 15 23.893 4.511 -22.268 1.00 0.00 C ATOM 240 C VAL A 15 23.117 4.835 -20.987 1.00 0.00 C ATOM 241 O VAL A 15 23.175 4.067 -20.019 1.00 0.00 O ATOM 242 CB VAL A 15 23.006 3.816 -23.328 1.00 0.00 C ATOM 243 CG1 VAL A 15 23.689 3.791 -24.700 1.00 0.00 C ATOM 244 CG2 VAL A 15 22.607 2.378 -22.955 1.00 0.00 C ATOM 0 H VAL A 15 24.722 3.011 -21.122 1.00 0.00 H new ATOM 0 HA VAL A 15 24.247 5.426 -22.743 1.00 0.00 H new ATOM 0 HB VAL A 15 22.097 4.417 -23.367 1.00 0.00 H new ATOM 0 HG11 VAL A 15 23.039 3.296 -25.421 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.884 4.812 -25.028 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.631 3.247 -24.628 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.986 1.956 -23.745 1.00 0.00 H new ATOM 0 HG22 VAL A 15 23.504 1.771 -22.835 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.047 2.387 -22.020 1.00 0.00 H new ATOM 254 N GLY A 16 22.412 5.965 -20.951 1.00 0.00 N ATOM 255 CA GLY A 16 21.944 6.594 -19.717 1.00 0.00 C ATOM 256 C GLY A 16 20.644 6.019 -19.159 1.00 0.00 C ATOM 257 O GLY A 16 19.838 6.779 -18.619 1.00 0.00 O ATOM 0 H GLY A 16 22.146 6.477 -21.792 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.722 6.499 -18.959 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.805 7.660 -19.899 1.00 0.00 H new ATOM 261 N PHE A 17 20.403 4.709 -19.284 1.00 0.00 N ATOM 262 CA PHE A 17 19.133 4.099 -18.891 1.00 0.00 C ATOM 263 C PHE A 17 18.768 4.382 -17.427 1.00 0.00 C ATOM 264 O PHE A 17 17.599 4.613 -17.129 1.00 0.00 O ATOM 265 CB PHE A 17 19.152 2.590 -19.177 1.00 0.00 C ATOM 266 CG PHE A 17 17.838 1.872 -18.900 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.631 2.378 -19.418 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.813 0.706 -18.113 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.415 1.728 -19.155 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.600 0.041 -17.866 1.00 0.00 C ATOM 271 CZ PHE A 17 15.398 0.544 -18.396 1.00 0.00 C ATOM 0 H PHE A 17 21.082 4.046 -19.659 1.00 0.00 H new ATOM 0 HA PHE A 17 18.353 4.561 -19.496 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.421 2.436 -20.222 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.935 2.130 -18.575 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.641 3.273 -20.022 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.731 0.320 -17.696 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.491 2.138 -19.536 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.591 -0.858 -17.268 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.468 0.024 -18.221 1.00 0.00 H new ATOM 281 N ARG A 18 19.746 4.445 -16.513 1.00 0.00 N ATOM 282 CA ARG A 18 19.486 4.785 -15.107 1.00 0.00 C ATOM 283 C ARG A 18 18.775 6.134 -14.983 1.00 0.00 C ATOM 284 O ARG A 18 17.862 6.253 -14.170 1.00 0.00 O ATOM 285 CB ARG A 18 20.795 4.770 -14.294 1.00 0.00 C ATOM 286 CG ARG A 18 21.294 3.334 -14.028 1.00 0.00 C ATOM 287 CD ARG A 18 22.824 3.173 -13.976 1.00 0.00 C ATOM 288 NE ARG A 18 23.523 3.699 -15.168 1.00 0.00 N ATOM 289 CZ ARG A 18 23.361 3.345 -16.450 1.00 0.00 C ATOM 290 NH1 ARG A 18 22.525 2.369 -16.802 1.00 0.00 N ATOM 291 NH2 ARG A 18 24.026 4.008 -17.386 1.00 0.00 N ATOM 0 H ARG A 18 20.728 4.264 -16.723 1.00 0.00 H new ATOM 0 HA ARG A 18 18.821 4.026 -14.695 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.562 5.327 -14.832 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.638 5.281 -13.344 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.876 2.990 -13.082 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.902 2.680 -14.807 1.00 0.00 H new ATOM 0 HD2 ARG A 18 23.203 3.683 -13.090 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.065 2.116 -13.863 1.00 0.00 H new ATOM 0 HE ARG A 18 24.218 4.425 -14.992 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.991 1.873 -16.089 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.419 2.118 -17.785 1.00 0.00 H new ATOM 0 HH21 ARG A 18 24.648 4.773 -17.125 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.916 3.753 -18.367 1.00 0.00 H new ATOM 305 N TYR A 19 19.136 7.131 -15.793 1.00 0.00 N ATOM 306 CA TYR A 19 18.480 8.434 -15.762 1.00 0.00 C ATOM 307 C TYR A 19 17.066 8.338 -16.337 1.00 0.00 C ATOM 308 O TYR A 19 16.149 8.937 -15.778 1.00 0.00 O ATOM 309 CB TYR A 19 19.310 9.477 -16.522 1.00 0.00 C ATOM 310 CG TYR A 19 20.706 9.675 -15.959 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.894 10.451 -14.798 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.815 9.067 -16.578 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.180 10.616 -14.254 1.00 0.00 C ATOM 314 CE2 TYR A 19 23.104 9.224 -16.039 1.00 0.00 C ATOM 315 CZ TYR A 19 23.293 9.998 -14.871 1.00 0.00 C ATOM 316 OH TYR A 19 24.547 10.145 -14.358 1.00 0.00 O ATOM 0 H TYR A 19 19.885 7.057 -16.482 1.00 0.00 H new ATOM 0 HA TYR A 19 18.403 8.755 -14.723 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.389 9.175 -17.566 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.782 10.431 -16.505 1.00 0.00 H new ATOM 0 HD1 TYR A 19 20.046 10.922 -14.323 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.675 8.477 -17.472 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.318 11.214 -13.366 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.950 8.753 -16.517 1.00 0.00 H new ATOM 0 HH TYR A 19 25.187 9.650 -14.911 1.00 0.00 H new ATOM 326 N PHE A 20 16.857 7.563 -17.410 1.00 0.00 N ATOM 327 CA PHE A 20 15.522 7.342 -17.965 1.00 0.00 C ATOM 328 C PHE A 20 14.604 6.772 -16.882 1.00 0.00 C ATOM 329 O PHE A 20 13.548 7.336 -16.597 1.00 0.00 O ATOM 330 CB PHE A 20 15.588 6.410 -19.186 1.00 0.00 C ATOM 331 CG PHE A 20 14.249 6.159 -19.854 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.760 7.057 -20.823 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.499 5.013 -19.524 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.528 6.808 -21.455 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.274 4.759 -20.167 1.00 0.00 C ATOM 336 CZ PHE A 20 11.788 5.658 -21.133 1.00 0.00 C ATOM 0 H PHE A 20 17.602 7.078 -17.910 1.00 0.00 H new ATOM 0 HA PHE A 20 15.113 8.294 -18.302 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.272 6.839 -19.919 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.011 5.454 -18.876 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.331 7.937 -21.081 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.866 4.327 -18.775 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.150 7.503 -22.190 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.707 3.874 -19.919 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.847 5.465 -21.627 1.00 0.00 H new ATOM 346 N VAL A 21 15.043 5.694 -16.231 1.00 0.00 N ATOM 347 CA VAL A 21 14.295 5.047 -15.165 1.00 0.00 C ATOM 348 C VAL A 21 14.084 6.023 -13.999 1.00 0.00 C ATOM 349 O VAL A 21 12.983 6.064 -13.449 1.00 0.00 O ATOM 350 CB VAL A 21 15.031 3.757 -14.755 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.340 3.050 -13.589 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.084 2.748 -15.911 1.00 0.00 C ATOM 0 H VAL A 21 15.936 5.245 -16.434 1.00 0.00 H new ATOM 0 HA VAL A 21 13.299 4.763 -15.506 1.00 0.00 H new ATOM 0 HB VAL A 21 16.034 4.073 -14.468 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.892 2.146 -13.333 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.312 3.715 -12.726 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.322 2.785 -13.876 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.610 1.850 -15.586 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.070 2.486 -16.212 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.610 3.191 -16.757 1.00 0.00 H new ATOM 362 N GLN A 22 15.088 6.837 -13.643 1.00 0.00 N ATOM 363 CA GLN A 22 14.966 7.821 -12.574 1.00 0.00 C ATOM 364 C GLN A 22 13.788 8.755 -12.842 1.00 0.00 C ATOM 365 O GLN A 22 12.944 8.960 -11.970 1.00 0.00 O ATOM 366 CB GLN A 22 16.280 8.620 -12.427 1.00 0.00 C ATOM 367 CG GLN A 22 16.319 9.516 -11.172 1.00 0.00 C ATOM 368 CD GLN A 22 16.411 8.743 -9.857 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.122 9.271 -8.792 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.805 7.481 -9.904 1.00 0.00 N ATOM 0 H GLN A 22 16.004 6.827 -14.092 1.00 0.00 H new ATOM 0 HA GLN A 22 14.778 7.298 -11.636 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.117 7.923 -12.392 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.419 9.241 -13.312 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.173 10.189 -11.246 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.424 10.137 -11.154 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.043 7.054 -10.799 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.871 6.935 -9.045 1.00 0.00 H new ATOM 379 N MET A 23 13.727 9.311 -14.051 1.00 0.00 N ATOM 380 CA MET A 23 12.716 10.295 -14.401 1.00 0.00 C ATOM 381 C MET A 23 11.343 9.634 -14.527 1.00 0.00 C ATOM 382 O MET A 23 10.348 10.218 -14.097 1.00 0.00 O ATOM 383 CB MET A 23 13.137 11.021 -15.683 1.00 0.00 C ATOM 384 CG MET A 23 14.425 11.824 -15.438 1.00 0.00 C ATOM 385 SD MET A 23 15.005 12.805 -16.853 1.00 0.00 S ATOM 386 CE MET A 23 15.559 11.493 -17.978 1.00 0.00 C ATOM 0 H MET A 23 14.375 9.091 -14.808 1.00 0.00 H new ATOM 0 HA MET A 23 12.631 11.038 -13.608 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.297 10.299 -16.483 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.340 11.689 -16.010 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.261 12.494 -14.594 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.216 11.132 -15.147 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.992 11.940 -18.873 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.309 10.879 -17.479 1.00 0.00 H new ATOM 0 HE3 MET A 23 14.709 10.871 -18.258 1.00 0.00 H new ATOM 396 N GLU A 24 11.273 8.406 -15.050 1.00 0.00 N ATOM 397 CA GLU A 24 10.017 7.673 -15.166 1.00 0.00 C ATOM 398 C GLU A 24 9.451 7.294 -13.791 1.00 0.00 C ATOM 399 O GLU A 24 8.230 7.284 -13.629 1.00 0.00 O ATOM 400 CB GLU A 24 10.192 6.436 -16.064 1.00 0.00 C ATOM 401 CG GLU A 24 10.351 6.784 -17.555 1.00 0.00 C ATOM 402 CD GLU A 24 9.103 7.476 -18.121 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.146 6.786 -18.538 1.00 0.00 O ATOM 404 OE2 GLU A 24 9.026 8.726 -18.096 1.00 0.00 O ATOM 0 H GLU A 24 12.084 7.897 -15.402 1.00 0.00 H new ATOM 0 HA GLU A 24 9.288 8.333 -15.637 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.067 5.876 -15.733 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.329 5.781 -15.941 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.216 7.434 -17.685 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.548 5.873 -18.121 1.00 0.00 H new ATOM 411 N ALA A 25 10.300 7.030 -12.793 1.00 0.00 N ATOM 412 CA ALA A 25 9.853 6.806 -11.423 1.00 0.00 C ATOM 413 C ALA A 25 9.380 8.115 -10.790 1.00 0.00 C ATOM 414 O ALA A 25 8.354 8.139 -10.109 1.00 0.00 O ATOM 415 CB ALA A 25 11.005 6.247 -10.590 1.00 0.00 C ATOM 0 H ALA A 25 11.311 6.967 -12.915 1.00 0.00 H new ATOM 0 HA ALA A 25 9.025 6.097 -11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.667 6.081 -9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.340 5.303 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.831 6.958 -10.588 1.00 0.00 H new ATOM 421 N ASP A 26 10.134 9.197 -11.007 1.00 0.00 N ATOM 422 CA ASP A 26 9.881 10.499 -10.395 1.00 0.00 C ATOM 423 C ASP A 26 8.562 11.095 -10.878 1.00 0.00 C ATOM 424 O ASP A 26 7.755 11.527 -10.055 1.00 0.00 O ATOM 425 CB ASP A 26 11.032 11.464 -10.690 1.00 0.00 C ATOM 426 CG ASP A 26 10.734 12.854 -10.104 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.868 13.036 -8.874 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.385 13.776 -10.874 1.00 0.00 O ATOM 0 H ASP A 26 10.948 9.190 -11.622 1.00 0.00 H new ATOM 0 HA ASP A 26 9.811 10.348 -9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.958 11.075 -10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.182 11.542 -11.767 1.00 0.00 H new ATOM 433 N LYS A 27 8.276 11.043 -12.187 1.00 0.00 N ATOM 434 CA LYS A 27 6.988 11.504 -12.717 1.00 0.00 C ATOM 435 C LYS A 27 5.816 10.673 -12.197 1.00 0.00 C ATOM 436 O LYS A 27 4.677 11.138 -12.244 1.00 0.00 O ATOM 437 CB LYS A 27 7.022 11.630 -14.255 1.00 0.00 C ATOM 438 CG LYS A 27 7.106 10.320 -15.059 1.00 0.00 C ATOM 439 CD LYS A 27 5.745 9.660 -15.347 1.00 0.00 C ATOM 440 CE LYS A 27 5.888 8.382 -16.188 1.00 0.00 C ATOM 441 NZ LYS A 27 6.299 8.652 -17.587 1.00 0.00 N ATOM 0 H LYS A 27 8.918 10.687 -12.895 1.00 0.00 H new ATOM 0 HA LYS A 27 6.816 12.510 -12.335 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.127 12.166 -14.571 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.877 12.250 -14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.606 10.521 -16.007 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.730 9.613 -14.513 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.253 9.420 -14.405 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.103 10.368 -15.871 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.622 7.726 -15.720 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.938 7.847 -16.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.379 7.754 -18.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.588 9.255 -18.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.219 9.137 -17.591 1.00 0.00 H new ATOM 455 N ARG A 28 6.075 9.466 -11.681 1.00 0.00 N ATOM 456 CA ARG A 28 5.069 8.588 -11.089 1.00 0.00 C ATOM 457 C ARG A 28 5.137 8.613 -9.554 1.00 0.00 C ATOM 458 O ARG A 28 4.433 7.838 -8.909 1.00 0.00 O ATOM 459 CB ARG A 28 5.242 7.171 -11.681 1.00 0.00 C ATOM 460 CG ARG A 28 3.915 6.425 -11.889 1.00 0.00 C ATOM 461 CD ARG A 28 3.096 7.029 -13.042 1.00 0.00 C ATOM 462 NE ARG A 28 1.883 6.239 -13.331 1.00 0.00 N ATOM 463 CZ ARG A 28 0.726 6.248 -12.656 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.535 7.073 -11.629 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.231 5.399 -13.013 1.00 0.00 N ATOM 0 H ARG A 28 7.013 9.067 -11.665 1.00 0.00 H new ATOM 0 HA ARG A 28 4.069 8.943 -11.338 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.760 7.246 -12.637 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.879 6.585 -11.018 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.117 5.375 -12.098 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.330 6.460 -10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.812 8.050 -12.789 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.715 7.083 -13.937 1.00 0.00 H new ATOM 0 HE ARG A 28 1.931 5.615 -14.137 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.277 7.713 -11.344 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.353 7.065 -11.127 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.078 4.755 -13.789 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.119 5.391 -12.511 1.00 0.00 H new ATOM 479 N LYS A 29 5.952 9.503 -8.970 1.00 0.00 N ATOM 480 CA LYS A 29 6.176 9.680 -7.534 1.00 0.00 C ATOM 481 C LYS A 29 6.438 8.356 -6.800 1.00 0.00 C ATOM 482 O LYS A 29 6.027 8.191 -5.649 1.00 0.00 O ATOM 483 CB LYS A 29 5.041 10.526 -6.919 1.00 0.00 C ATOM 484 CG LYS A 29 4.916 11.911 -7.577 1.00 0.00 C ATOM 485 CD LYS A 29 3.820 12.744 -6.897 1.00 0.00 C ATOM 486 CE LYS A 29 3.618 14.113 -7.568 1.00 0.00 C ATOM 487 NZ LYS A 29 4.776 15.026 -7.391 1.00 0.00 N ATOM 0 H LYS A 29 6.505 10.157 -9.524 1.00 0.00 H new ATOM 0 HA LYS A 29 7.101 10.240 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.097 9.992 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.222 10.650 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.869 12.436 -7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.686 11.795 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.881 12.190 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.079 12.892 -5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.439 13.966 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.725 14.584 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.580 15.931 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.934 15.193 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.625 14.594 -7.807 1.00 0.00 H new ATOM 501 N LEU A 30 7.108 7.401 -7.455 1.00 0.00 N ATOM 502 CA LEU A 30 7.559 6.172 -6.799 1.00 0.00 C ATOM 503 C LEU A 30 8.778 6.479 -5.923 1.00 0.00 C ATOM 504 O LEU A 30 9.401 7.535 -6.067 1.00 0.00 O ATOM 505 CB LEU A 30 7.877 5.092 -7.846 1.00 0.00 C ATOM 506 CG LEU A 30 6.624 4.545 -8.560 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.057 3.587 -9.665 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.670 3.802 -7.619 1.00 0.00 C ATOM 0 H LEU A 30 7.350 7.458 -8.444 1.00 0.00 H new ATOM 0 HA LEU A 30 6.764 5.786 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.558 5.506 -8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.399 4.267 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 30 6.087 5.405 -8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.176 3.196 -10.174 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.684 4.117 -10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.621 2.761 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.809 3.442 -8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.189 2.955 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.332 4.479 -6.834 1.00 0.00 H new ATOM 520 N ALA A 31 9.140 5.551 -5.033 1.00 0.00 N ATOM 521 CA ALA A 31 10.295 5.674 -4.147 1.00 0.00 C ATOM 522 C ALA A 31 11.085 4.365 -4.174 1.00 0.00 C ATOM 523 O ALA A 31 10.486 3.306 -4.361 1.00 0.00 O ATOM 524 CB ALA A 31 9.818 6.018 -2.734 1.00 0.00 C ATOM 0 H ALA A 31 8.627 4.678 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 31 10.952 6.477 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.679 6.110 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.273 6.962 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.162 5.228 -2.369 1.00 0.00 H new ATOM 530 N GLY A 32 12.414 4.427 -4.044 1.00 0.00 N ATOM 531 CA GLY A 32 13.289 3.288 -4.318 1.00 0.00 C ATOM 532 C GLY A 32 14.590 3.713 -5.005 1.00 0.00 C ATOM 533 O GLY A 32 15.023 4.859 -4.852 1.00 0.00 O ATOM 0 H GLY A 32 12.910 5.267 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.523 2.778 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.764 2.571 -4.949 1.00 0.00 H new ATOM 537 N TRP A 33 15.216 2.812 -5.767 1.00 0.00 N ATOM 538 CA TRP A 33 16.475 3.071 -6.458 1.00 0.00 C ATOM 539 C TRP A 33 16.491 2.520 -7.882 1.00 0.00 C ATOM 540 O TRP A 33 15.758 1.586 -8.216 1.00 0.00 O ATOM 541 CB TRP A 33 17.668 2.512 -5.658 1.00 0.00 C ATOM 542 CG TRP A 33 17.765 1.029 -5.387 1.00 0.00 C ATOM 543 CD1 TRP A 33 17.929 0.040 -6.304 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.830 0.359 -4.087 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.104 -1.174 -5.665 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.079 -1.030 -4.300 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.735 0.789 -2.745 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.250 -1.936 -3.245 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.889 -0.116 -1.676 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.151 -1.476 -1.922 1.00 0.00 C ATOM 0 H TRP A 33 14.855 1.871 -5.921 1.00 0.00 H new ATOM 0 HA TRP A 33 16.569 4.155 -6.530 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.577 2.806 -6.183 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.678 3.020 -4.693 1.00 0.00 H new ATOM 0 HD1 TRP A 33 17.924 0.181 -7.375 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.235 -2.063 -6.147 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.541 1.830 -2.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.456 -2.977 -3.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.805 0.238 -0.659 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.275 -2.163 -1.098 1.00 0.00 H new ATOM 561 N VAL A 34 17.433 3.021 -8.682 1.00 0.00 N ATOM 562 CA VAL A 34 17.946 2.326 -9.858 1.00 0.00 C ATOM 563 C VAL A 34 19.473 2.400 -9.814 1.00 0.00 C ATOM 564 O VAL A 34 20.036 3.400 -9.358 1.00 0.00 O ATOM 565 CB VAL A 34 17.311 2.877 -11.152 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.517 4.386 -11.341 1.00 0.00 C ATOM 567 CG2 VAL A 34 17.830 2.135 -12.392 1.00 0.00 C ATOM 0 H VAL A 34 17.865 3.932 -8.528 1.00 0.00 H new ATOM 0 HA VAL A 34 17.665 1.273 -9.853 1.00 0.00 H new ATOM 0 HB VAL A 34 16.241 2.704 -11.040 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.045 4.704 -12.270 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.069 4.922 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.584 4.605 -11.383 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.362 2.548 -13.286 1.00 0.00 H new ATOM 0 HG22 VAL A 34 18.911 2.253 -12.461 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.585 1.076 -12.311 1.00 0.00 H new ATOM 577 N LYS A 35 20.151 1.329 -10.232 1.00 0.00 N ATOM 578 CA LYS A 35 21.598 1.199 -10.102 1.00 0.00 C ATOM 579 C LYS A 35 22.168 0.129 -11.028 1.00 0.00 C ATOM 580 O LYS A 35 21.424 -0.647 -11.624 1.00 0.00 O ATOM 581 CB LYS A 35 21.935 0.881 -8.634 1.00 0.00 C ATOM 582 CG LYS A 35 21.289 -0.391 -8.074 1.00 0.00 C ATOM 583 CD LYS A 35 21.814 -0.649 -6.653 1.00 0.00 C ATOM 584 CE LYS A 35 21.606 -2.106 -6.244 1.00 0.00 C ATOM 585 NZ LYS A 35 22.483 -3.031 -6.999 1.00 0.00 N ATOM 0 H LYS A 35 19.706 0.524 -10.673 1.00 0.00 H new ATOM 0 HA LYS A 35 22.058 2.142 -10.398 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.017 0.792 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.629 1.726 -8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.204 -0.284 -8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.517 -1.241 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.875 -0.402 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.302 0.006 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.801 -2.213 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.564 -2.382 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.926 -3.843 -7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.891 -2.533 -7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.248 -3.367 -6.380 1.00 0.00 H new ATOM 599 N ASN A 36 23.497 0.058 -11.105 1.00 0.00 N ATOM 600 CA ASN A 36 24.214 -1.108 -11.622 1.00 0.00 C ATOM 601 C ASN A 36 23.971 -2.317 -10.703 1.00 0.00 C ATOM 602 O ASN A 36 23.701 -2.157 -9.508 1.00 0.00 O ATOM 603 CB ASN A 36 25.720 -0.779 -11.688 1.00 0.00 C ATOM 604 CG ASN A 36 26.577 -2.012 -11.961 1.00 0.00 C ATOM 605 OD1 ASN A 36 27.223 -2.543 -11.064 1.00 0.00 O ATOM 606 ND2 ASN A 36 26.567 -2.519 -13.181 1.00 0.00 N ATOM 0 H ASN A 36 24.112 0.815 -10.807 1.00 0.00 H new ATOM 0 HA ASN A 36 23.853 -1.354 -12.621 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.893 -0.040 -12.470 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.031 -0.326 -10.747 1.00 0.00 H new ATOM 0 HD21 ASN A 36 27.101 -3.363 -13.387 1.00 0.00 H new ATOM 0 HD22 ASN A 36 26.025 -2.066 -13.917 1.00 0.00 H new ATOM 668 N ARG A 41 24.453 -5.970 -14.950 1.00 0.00 N ATOM 669 CA ARG A 41 23.072 -5.626 -15.318 1.00 0.00 C ATOM 670 C ARG A 41 22.701 -4.271 -14.726 1.00 0.00 C ATOM 671 O ARG A 41 23.496 -3.672 -13.996 1.00 0.00 O ATOM 672 CB ARG A 41 22.078 -6.709 -14.836 1.00 0.00 C ATOM 673 CG ARG A 41 22.496 -8.175 -15.007 1.00 0.00 C ATOM 674 CD ARG A 41 22.863 -8.593 -16.435 1.00 0.00 C ATOM 675 NE ARG A 41 23.823 -9.702 -16.413 1.00 0.00 N ATOM 676 CZ ARG A 41 24.642 -10.084 -17.394 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.583 -9.544 -18.607 1.00 0.00 N ATOM 678 NH2 ARG A 41 25.523 -11.032 -17.109 1.00 0.00 N ATOM 0 HA ARG A 41 23.011 -5.574 -16.405 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.878 -6.537 -13.778 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.137 -6.563 -15.366 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.351 -8.369 -14.359 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.681 -8.810 -14.659 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.965 -8.892 -16.975 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.290 -7.745 -16.971 1.00 0.00 H new ATOM 0 HE ARG A 41 23.869 -10.242 -15.549 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.898 -8.816 -18.808 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.223 -9.858 -19.337 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.553 -11.436 -16.173 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.171 -11.358 -17.826 1.00 0.00 H new ATOM 692 N VAL A 42 21.481 -3.818 -14.992 1.00 0.00 N ATOM 693 CA VAL A 42 20.851 -2.728 -14.262 1.00 0.00 C ATOM 694 C VAL A 42 19.852 -3.393 -13.316 1.00 0.00 C ATOM 695 O VAL A 42 19.279 -4.438 -13.632 1.00 0.00 O ATOM 696 CB VAL A 42 20.204 -1.733 -15.253 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.488 -0.565 -14.554 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.280 -1.138 -16.177 1.00 0.00 C ATOM 0 H VAL A 42 20.895 -4.204 -15.732 1.00 0.00 H new ATOM 0 HA VAL A 42 21.557 -2.131 -13.684 1.00 0.00 H new ATOM 0 HB VAL A 42 19.464 -2.303 -15.814 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.055 0.097 -15.304 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.697 -0.954 -13.913 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.204 -0.009 -13.949 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.816 -0.438 -16.872 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.025 -0.614 -15.578 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.762 -1.939 -16.737 1.00 0.00 H new ATOM 708 N GLU A 43 19.630 -2.783 -12.159 1.00 0.00 N ATOM 709 CA GLU A 43 18.689 -3.218 -11.148 1.00 0.00 C ATOM 710 C GLU A 43 17.875 -1.996 -10.756 1.00 0.00 C ATOM 711 O GLU A 43 18.414 -0.901 -10.592 1.00 0.00 O ATOM 712 CB GLU A 43 19.459 -3.789 -9.953 1.00 0.00 C ATOM 713 CG GLU A 43 18.580 -4.072 -8.726 1.00 0.00 C ATOM 714 CD GLU A 43 19.403 -4.324 -7.470 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.500 -4.925 -7.531 1.00 0.00 O ATOM 716 OE2 GLU A 43 18.942 -3.887 -6.393 1.00 0.00 O ATOM 0 H GLU A 43 20.127 -1.933 -11.892 1.00 0.00 H new ATOM 0 HA GLU A 43 18.027 -4.003 -11.513 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.950 -4.713 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.245 -3.088 -9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.913 -3.226 -8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.951 -4.939 -8.925 1.00 0.00 H new ATOM 723 N ILE A 44 16.578 -2.203 -10.580 1.00 0.00 N ATOM 724 CA ILE A 44 15.598 -1.210 -10.205 1.00 0.00 C ATOM 725 C ILE A 44 14.866 -1.827 -9.014 1.00 0.00 C ATOM 726 O ILE A 44 14.627 -3.037 -8.991 1.00 0.00 O ATOM 727 CB ILE A 44 14.649 -0.971 -11.400 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.389 -0.756 -12.745 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.717 0.221 -11.118 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.496 -1.069 -13.935 1.00 0.00 C ATOM 0 H ILE A 44 16.163 -3.126 -10.704 1.00 0.00 H new ATOM 0 HA ILE A 44 16.027 -0.243 -9.943 1.00 0.00 H new ATOM 0 HB ILE A 44 14.064 -1.884 -11.507 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.733 0.276 -12.810 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.275 -1.390 -12.778 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.055 0.375 -11.970 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.121 0.015 -10.229 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.313 1.119 -10.955 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.051 -0.906 -14.859 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.173 -2.109 -13.884 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.623 -0.417 -13.916 1.00 0.00 H new ATOM 742 N LEU A 45 14.486 -1.026 -8.029 1.00 0.00 N ATOM 743 CA LEU A 45 13.693 -1.470 -6.895 1.00 0.00 C ATOM 744 C LEU A 45 12.787 -0.300 -6.562 1.00 0.00 C ATOM 745 O LEU A 45 13.287 0.815 -6.424 1.00 0.00 O ATOM 746 CB LEU A 45 14.633 -1.850 -5.735 1.00 0.00 C ATOM 747 CG LEU A 45 13.991 -2.733 -4.649 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.069 -3.136 -3.640 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.845 -2.052 -3.898 1.00 0.00 C ATOM 0 H LEU A 45 14.724 -0.035 -7.996 1.00 0.00 H new ATOM 0 HA LEU A 45 13.096 -2.358 -7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.499 -2.371 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.002 -0.936 -5.270 1.00 0.00 H new ATOM 0 HG LEU A 45 13.565 -3.597 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.626 -3.762 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.856 -3.692 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.494 -2.241 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.443 -2.735 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.216 -1.153 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.058 -1.782 -4.602 1.00 0.00 H new ATOM 761 N ALA A 46 11.478 -0.521 -6.466 1.00 0.00 N ATOM 762 CA ALA A 46 10.523 0.537 -6.184 1.00 0.00 C ATOM 763 C ALA A 46 9.430 0.020 -5.263 1.00 0.00 C ATOM 764 O ALA A 46 9.020 -1.135 -5.375 1.00 0.00 O ATOM 765 CB ALA A 46 9.907 1.044 -7.494 1.00 0.00 C ATOM 0 H ALA A 46 11.054 -1.441 -6.582 1.00 0.00 H new ATOM 0 HA ALA A 46 11.040 1.360 -5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.192 1.837 -7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.694 1.432 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.397 0.223 -7.998 1.00 0.00 H new ATOM 771 N GLU A 47 8.922 0.905 -4.411 1.00 0.00 N ATOM 772 CA GLU A 47 7.682 0.748 -3.668 1.00 0.00 C ATOM 773 C GLU A 47 6.702 1.837 -4.117 1.00 0.00 C ATOM 774 O GLU A 47 7.123 2.914 -4.560 1.00 0.00 O ATOM 775 CB GLU A 47 7.939 0.798 -2.149 1.00 0.00 C ATOM 776 CG GLU A 47 8.499 2.145 -1.654 1.00 0.00 C ATOM 777 CD GLU A 47 8.589 2.199 -0.125 1.00 0.00 C ATOM 778 OE1 GLU A 47 9.646 1.812 0.419 1.00 0.00 O ATOM 779 OE2 GLU A 47 7.611 2.633 0.528 1.00 0.00 O ATOM 0 H GLU A 47 9.387 1.791 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 47 7.246 -0.229 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.006 0.589 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.638 0.005 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.488 2.306 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.862 2.955 -2.009 1.00 0.00 H new ATOM 786 N GLY A 48 5.400 1.568 -3.992 1.00 0.00 N ATOM 787 CA GLY A 48 4.359 2.537 -4.306 1.00 0.00 C ATOM 788 C GLY A 48 2.994 1.887 -4.530 1.00 0.00 C ATOM 789 O GLY A 48 2.832 0.693 -4.254 1.00 0.00 O ATOM 0 H GLY A 48 5.042 0.669 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.284 3.259 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.643 3.092 -5.200 1.00 0.00 H new ATOM 793 N PRO A 49 1.998 2.664 -4.994 1.00 0.00 N ATOM 794 CA PRO A 49 0.703 2.153 -5.431 1.00 0.00 C ATOM 795 C PRO A 49 0.853 1.121 -6.552 1.00 0.00 C ATOM 796 O PRO A 49 1.746 1.241 -7.393 1.00 0.00 O ATOM 797 CB PRO A 49 -0.086 3.376 -5.920 1.00 0.00 C ATOM 798 CG PRO A 49 0.586 4.556 -5.222 1.00 0.00 C ATOM 799 CD PRO A 49 2.043 4.113 -5.124 1.00 0.00 C ATOM 0 HA PRO A 49 0.192 1.640 -4.616 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.038 3.474 -7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.140 3.303 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.482 5.477 -5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.154 4.743 -4.239 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.605 4.411 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.536 4.569 -4.265 1.00 0.00 H new ATOM 807 N GLU A 50 -0.064 0.152 -6.618 1.00 0.00 N ATOM 808 CA GLU A 50 -0.038 -0.906 -7.626 1.00 0.00 C ATOM 809 C GLU A 50 -0.108 -0.317 -9.040 1.00 0.00 C ATOM 810 O GLU A 50 0.676 -0.706 -9.901 1.00 0.00 O ATOM 811 CB GLU A 50 -1.194 -1.885 -7.357 1.00 0.00 C ATOM 812 CG GLU A 50 -1.220 -3.063 -8.342 1.00 0.00 C ATOM 813 CD GLU A 50 -2.378 -4.032 -8.038 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.542 -3.726 -8.384 1.00 0.00 O ATOM 815 OE2 GLU A 50 -2.138 -5.120 -7.467 1.00 0.00 O ATOM 0 H GLU A 50 -0.848 0.081 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 50 0.904 -1.451 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.109 -2.269 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.140 -1.347 -7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.319 -2.685 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.273 -3.600 -8.292 1.00 0.00 H new ATOM 822 N ASN A 51 -1.006 0.644 -9.285 1.00 0.00 N ATOM 823 CA ASN A 51 -1.182 1.229 -10.619 1.00 0.00 C ATOM 824 C ASN A 51 0.071 1.991 -11.060 1.00 0.00 C ATOM 825 O ASN A 51 0.492 1.893 -12.214 1.00 0.00 O ATOM 826 CB ASN A 51 -2.403 2.162 -10.628 1.00 0.00 C ATOM 827 CG ASN A 51 -2.663 2.770 -12.008 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.541 2.109 -13.034 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.045 4.037 -12.066 1.00 0.00 N ATOM 0 H ASN A 51 -1.624 1.034 -8.574 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.347 0.417 -11.327 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.284 1.606 -10.307 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.250 2.963 -9.904 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.240 4.470 -12.969 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.144 4.580 -11.208 1.00 0.00 H new ATOM 836 N ALA A 52 0.692 2.729 -10.133 1.00 0.00 N ATOM 837 CA ALA A 52 1.929 3.453 -10.392 1.00 0.00 C ATOM 838 C ALA A 52 3.055 2.474 -10.723 1.00 0.00 C ATOM 839 O ALA A 52 3.766 2.664 -11.709 1.00 0.00 O ATOM 840 CB ALA A 52 2.283 4.313 -9.172 1.00 0.00 C ATOM 0 H ALA A 52 0.345 2.837 -9.180 1.00 0.00 H new ATOM 0 HA ALA A 52 1.795 4.109 -11.252 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.209 4.855 -9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.479 5.024 -8.982 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.413 3.672 -8.300 1.00 0.00 H new ATOM 846 N LEU A 53 3.191 1.409 -9.930 1.00 0.00 N ATOM 847 CA LEU A 53 4.200 0.380 -10.132 1.00 0.00 C ATOM 848 C LEU A 53 3.996 -0.319 -11.476 1.00 0.00 C ATOM 849 O LEU A 53 4.960 -0.477 -12.221 1.00 0.00 O ATOM 850 CB LEU A 53 4.151 -0.619 -8.964 1.00 0.00 C ATOM 851 CG LEU A 53 4.827 -0.117 -7.673 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.490 -1.077 -6.531 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.354 -0.019 -7.787 1.00 0.00 C ATOM 0 H LEU A 53 2.594 1.240 -9.121 1.00 0.00 H new ATOM 0 HA LEU A 53 5.188 0.840 -10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.109 -0.856 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.631 -1.547 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 53 4.447 0.888 -7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.964 -0.730 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.410 -1.111 -6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.856 -2.074 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.767 0.340 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.766 -1.003 -8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.615 0.675 -8.586 1.00 0.00 H new ATOM 865 N GLN A 54 2.767 -0.702 -11.829 1.00 0.00 N ATOM 866 CA GLN A 54 2.474 -1.344 -13.110 1.00 0.00 C ATOM 867 C GLN A 54 2.844 -0.416 -14.272 1.00 0.00 C ATOM 868 O GLN A 54 3.528 -0.843 -15.206 1.00 0.00 O ATOM 869 CB GLN A 54 0.990 -1.738 -13.172 1.00 0.00 C ATOM 870 CG GLN A 54 0.679 -2.965 -12.297 1.00 0.00 C ATOM 871 CD GLN A 54 -0.815 -3.305 -12.224 1.00 0.00 C ATOM 872 OE1 GLN A 54 -1.690 -2.517 -12.576 1.00 0.00 O ATOM 873 NE2 GLN A 54 -1.148 -4.504 -11.769 1.00 0.00 N ATOM 0 H GLN A 54 1.948 -0.575 -11.234 1.00 0.00 H new ATOM 0 HA GLN A 54 3.075 -2.249 -13.199 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.378 -0.897 -12.846 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.715 -1.951 -14.205 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.220 -3.826 -12.688 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.052 -2.785 -11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.422 -5.158 -11.477 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.130 -4.773 -11.711 1.00 0.00 H new ATOM 882 N SER A 55 2.462 0.863 -14.188 1.00 0.00 N ATOM 883 CA SER A 55 2.820 1.859 -15.196 1.00 0.00 C ATOM 884 C SER A 55 4.344 1.953 -15.341 1.00 0.00 C ATOM 885 O SER A 55 4.868 2.074 -16.450 1.00 0.00 O ATOM 886 CB SER A 55 2.260 3.231 -14.806 1.00 0.00 C ATOM 887 OG SER A 55 0.863 3.209 -14.555 1.00 0.00 O ATOM 0 H SER A 55 1.899 1.233 -13.422 1.00 0.00 H new ATOM 0 HA SER A 55 2.390 1.550 -16.149 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.778 3.589 -13.916 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.469 3.943 -15.605 1.00 0.00 H new ATOM 0 HG SER A 55 0.693 2.780 -13.691 1.00 0.00 H new ATOM 893 N PHE A 56 5.067 1.872 -14.225 1.00 0.00 N ATOM 894 CA PHE A 56 6.511 1.915 -14.226 1.00 0.00 C ATOM 895 C PHE A 56 7.109 0.639 -14.836 1.00 0.00 C ATOM 896 O PHE A 56 8.106 0.763 -15.541 1.00 0.00 O ATOM 897 CB PHE A 56 6.990 2.241 -12.808 1.00 0.00 C ATOM 898 CG PHE A 56 8.481 2.450 -12.623 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.187 3.351 -13.446 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.146 1.819 -11.554 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.550 3.594 -13.209 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.505 2.068 -11.314 1.00 0.00 C ATOM 903 CZ PHE A 56 11.204 2.957 -12.139 1.00 0.00 C ATOM 0 H PHE A 56 4.657 1.775 -13.296 1.00 0.00 H new ATOM 0 HA PHE A 56 6.876 2.710 -14.876 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.476 3.143 -12.474 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.675 1.432 -12.148 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.681 3.853 -14.257 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.605 1.138 -10.914 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.096 4.271 -13.849 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.010 1.576 -10.496 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.249 3.155 -11.953 1.00 0.00 H new ATOM 913 N VAL A 57 6.498 -0.550 -14.704 1.00 0.00 N ATOM 914 CA VAL A 57 6.943 -1.709 -15.489 1.00 0.00 C ATOM 915 C VAL A 57 6.751 -1.422 -16.979 1.00 0.00 C ATOM 916 O VAL A 57 7.668 -1.684 -17.754 1.00 0.00 O ATOM 917 CB VAL A 57 6.253 -3.042 -15.116 1.00 0.00 C ATOM 918 CG1 VAL A 57 6.973 -4.219 -15.799 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.267 -3.325 -13.614 1.00 0.00 C ATOM 0 H VAL A 57 5.714 -0.731 -14.077 1.00 0.00 H new ATOM 0 HA VAL A 57 7.997 -1.847 -15.250 1.00 0.00 H new ATOM 0 HB VAL A 57 5.220 -2.944 -15.449 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.480 -5.153 -15.530 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.938 -4.089 -16.881 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.012 -4.250 -15.471 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.768 -4.274 -13.418 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.298 -3.378 -13.263 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.745 -2.525 -13.088 1.00 0.00 H new ATOM 929 N GLU A 58 5.605 -0.863 -17.393 1.00 0.00 N ATOM 930 CA GLU A 58 5.354 -0.563 -18.802 1.00 0.00 C ATOM 931 C GLU A 58 6.421 0.401 -19.346 1.00 0.00 C ATOM 932 O GLU A 58 6.880 0.234 -20.477 1.00 0.00 O ATOM 933 CB GLU A 58 3.941 0.011 -19.017 1.00 0.00 C ATOM 934 CG GLU A 58 2.795 -0.946 -18.658 1.00 0.00 C ATOM 935 CD GLU A 58 2.753 -2.187 -19.559 1.00 0.00 C ATOM 936 OE1 GLU A 58 2.251 -2.098 -20.702 1.00 0.00 O ATOM 937 OE2 GLU A 58 3.222 -3.268 -19.138 1.00 0.00 O ATOM 0 H GLU A 58 4.839 -0.611 -16.768 1.00 0.00 H new ATOM 0 HA GLU A 58 5.415 -1.500 -19.356 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.838 0.918 -18.421 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.838 0.303 -20.062 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.902 -1.260 -17.620 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.846 -0.415 -18.735 1.00 0.00 H new ATOM 944 N ALA A 59 6.853 1.373 -18.536 1.00 0.00 N ATOM 945 CA ALA A 59 7.948 2.265 -18.882 1.00 0.00 C ATOM 946 C ALA A 59 9.279 1.506 -18.977 1.00 0.00 C ATOM 947 O ALA A 59 9.988 1.620 -19.976 1.00 0.00 O ATOM 948 CB ALA A 59 8.044 3.399 -17.854 1.00 0.00 C ATOM 0 H ALA A 59 6.446 1.558 -17.619 1.00 0.00 H new ATOM 0 HA ALA A 59 7.743 2.692 -19.864 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.867 4.063 -18.120 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.111 3.963 -17.846 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.223 2.979 -16.864 1.00 0.00 H new ATOM 954 N VAL A 60 9.626 0.726 -17.950 1.00 0.00 N ATOM 955 CA VAL A 60 10.911 0.047 -17.838 1.00 0.00 C ATOM 956 C VAL A 60 11.079 -0.978 -18.961 1.00 0.00 C ATOM 957 O VAL A 60 12.143 -1.028 -19.577 1.00 0.00 O ATOM 958 CB VAL A 60 11.020 -0.568 -16.424 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.122 -1.627 -16.290 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.297 0.537 -15.390 1.00 0.00 C ATOM 0 H VAL A 60 9.006 0.548 -17.160 1.00 0.00 H new ATOM 0 HA VAL A 60 11.733 0.753 -17.960 1.00 0.00 H new ATOM 0 HB VAL A 60 10.064 -1.060 -16.245 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.136 -2.011 -15.270 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.927 -2.445 -16.983 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.088 -1.178 -16.522 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.372 0.095 -14.396 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.233 1.039 -15.636 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.482 1.261 -15.404 1.00 0.00 H new ATOM 970 N LYS A 61 10.050 -1.779 -19.267 1.00 0.00 N ATOM 971 CA LYS A 61 10.166 -2.860 -20.245 1.00 0.00 C ATOM 972 C LYS A 61 10.387 -2.345 -21.670 1.00 0.00 C ATOM 973 O LYS A 61 10.853 -3.105 -22.517 1.00 0.00 O ATOM 974 CB LYS A 61 8.966 -3.820 -20.142 1.00 0.00 C ATOM 975 CG LYS A 61 7.668 -3.283 -20.767 1.00 0.00 C ATOM 976 CD LYS A 61 6.515 -4.280 -20.604 1.00 0.00 C ATOM 977 CE LYS A 61 5.385 -3.933 -21.583 1.00 0.00 C ATOM 978 NZ LYS A 61 4.151 -4.705 -21.305 1.00 0.00 N ATOM 0 H LYS A 61 9.124 -1.695 -18.847 1.00 0.00 H new ATOM 0 HA LYS A 61 11.063 -3.428 -20.000 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.226 -4.761 -20.627 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.784 -4.043 -19.091 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.401 -2.336 -20.298 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.829 -3.080 -21.826 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.870 -5.294 -20.789 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.142 -4.254 -19.580 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.167 -2.867 -21.521 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.715 -4.132 -22.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.442 -4.503 -22.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.370 -5.722 -21.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.773 -4.433 -20.375 1.00 0.00 H new ATOM 992 N ASN A 62 10.072 -1.073 -21.951 1.00 0.00 N ATOM 993 CA ASN A 62 10.399 -0.446 -23.232 1.00 0.00 C ATOM 994 C ASN A 62 11.912 -0.257 -23.388 1.00 0.00 C ATOM 995 O ASN A 62 12.419 -0.228 -24.510 1.00 0.00 O ATOM 996 CB ASN A 62 9.716 0.925 -23.337 1.00 0.00 C ATOM 997 CG ASN A 62 9.892 1.532 -24.728 1.00 0.00 C ATOM 998 OD1 ASN A 62 9.197 1.160 -25.669 1.00 0.00 O ATOM 999 ND2 ASN A 62 10.801 2.480 -24.890 1.00 0.00 N ATOM 0 H ASN A 62 9.587 -0.456 -21.299 1.00 0.00 H new ATOM 0 HA ASN A 62 10.041 -1.105 -24.023 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.654 0.822 -23.116 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.133 1.599 -22.589 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.931 2.911 -25.805 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.372 2.780 -24.100 1.00 0.00 H new ATOM 1006 N GLY A 63 12.631 -0.103 -22.271 1.00 0.00 N ATOM 1007 CA GLY A 63 13.946 0.517 -22.238 1.00 0.00 C ATOM 1008 C GLY A 63 13.829 2.023 -22.498 1.00 0.00 C ATOM 1009 O GLY A 63 12.761 2.530 -22.853 1.00 0.00 O ATOM 0 H GLY A 63 12.305 -0.412 -21.355 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.414 0.343 -21.269 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.590 0.060 -22.989 1.00 0.00 H new ATOM 1013 N SER A 64 14.935 2.752 -22.348 1.00 0.00 N ATOM 1014 CA SER A 64 15.027 4.081 -22.937 1.00 0.00 C ATOM 1015 C SER A 64 14.987 3.911 -24.461 1.00 0.00 C ATOM 1016 O SER A 64 15.589 2.959 -24.967 1.00 0.00 O ATOM 1017 CB SER A 64 16.326 4.762 -22.495 1.00 0.00 C ATOM 1018 OG SER A 64 16.552 5.969 -23.198 1.00 0.00 O ATOM 0 H SER A 64 15.763 2.450 -21.834 1.00 0.00 H new ATOM 0 HA SER A 64 14.200 4.711 -22.610 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.283 4.967 -21.425 1.00 0.00 H new ATOM 0 HB3 SER A 64 17.165 4.085 -22.657 1.00 0.00 H new ATOM 0 HG SER A 64 17.388 6.376 -22.889 1.00 0.00 H new ATOM 1024 N PRO A 65 14.370 4.836 -25.217 1.00 0.00 N ATOM 1025 CA PRO A 65 14.542 4.940 -26.663 1.00 0.00 C ATOM 1026 C PRO A 65 16.009 4.920 -27.125 1.00 0.00 C ATOM 1027 O PRO A 65 16.286 4.493 -28.248 1.00 0.00 O ATOM 1028 CB PRO A 65 13.861 6.256 -27.055 1.00 0.00 C ATOM 1029 CG PRO A 65 12.793 6.441 -25.978 1.00 0.00 C ATOM 1030 CD PRO A 65 13.448 5.849 -24.732 1.00 0.00 C ATOM 0 HA PRO A 65 14.102 4.070 -27.151 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.568 7.086 -27.066 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.421 6.199 -28.051 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.539 7.492 -25.839 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.870 5.921 -26.233 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.973 6.616 -24.163 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.702 5.414 -24.067 1.00 0.00 H new ATOM 1038 N PHE A 66 16.949 5.365 -26.281 1.00 0.00 N ATOM 1039 CA PHE A 66 18.379 5.414 -26.591 1.00 0.00 C ATOM 1040 C PHE A 66 19.115 4.119 -26.202 1.00 0.00 C ATOM 1041 O PHE A 66 20.323 4.012 -26.422 1.00 0.00 O ATOM 1042 CB PHE A 66 18.997 6.638 -25.897 1.00 0.00 C ATOM 1043 CG PHE A 66 18.389 7.961 -26.333 1.00 0.00 C ATOM 1044 CD1 PHE A 66 18.810 8.567 -27.533 1.00 0.00 C ATOM 1045 CD2 PHE A 66 17.385 8.578 -25.559 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.234 9.778 -27.956 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.808 9.788 -25.983 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.233 10.390 -27.181 1.00 0.00 C ATOM 0 H PHE A 66 16.730 5.707 -25.346 1.00 0.00 H new ATOM 0 HA PHE A 66 18.493 5.506 -27.671 1.00 0.00 H new ATOM 0 HB2 PHE A 66 18.878 6.532 -24.819 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.068 6.657 -26.099 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.578 8.099 -28.131 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.058 8.120 -24.637 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.561 10.238 -28.877 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.038 10.256 -25.388 1.00 0.00 H new ATOM 0 HZ PHE A 66 16.791 11.321 -27.505 1.00 0.00 H new ATOM 1058 N SER A 67 18.411 3.132 -25.641 1.00 0.00 N ATOM 1059 CA SER A 67 18.948 1.880 -25.114 1.00 0.00 C ATOM 1060 C SER A 67 18.218 0.692 -25.767 1.00 0.00 C ATOM 1061 O SER A 67 17.283 0.880 -26.551 1.00 0.00 O ATOM 1062 CB SER A 67 18.768 1.884 -23.589 1.00 0.00 C ATOM 1063 OG SER A 67 19.423 2.992 -22.993 1.00 0.00 O ATOM 0 H SER A 67 17.398 3.191 -25.538 1.00 0.00 H new ATOM 0 HA SER A 67 20.009 1.782 -25.344 1.00 0.00 H new ATOM 0 HB2 SER A 67 17.706 1.914 -23.347 1.00 0.00 H new ATOM 0 HB3 SER A 67 19.164 0.958 -23.172 1.00 0.00 H new ATOM 0 HG SER A 67 20.105 3.338 -23.606 1.00 0.00 H new ATOM 1069 N LYS A 68 18.634 -0.540 -25.455 1.00 0.00 N ATOM 1070 CA LYS A 68 17.980 -1.763 -25.916 1.00 0.00 C ATOM 1071 C LYS A 68 18.075 -2.803 -24.805 1.00 0.00 C ATOM 1072 O LYS A 68 19.091 -3.484 -24.671 1.00 0.00 O ATOM 1073 CB LYS A 68 18.598 -2.247 -27.243 1.00 0.00 C ATOM 1074 CG LYS A 68 17.837 -3.453 -27.823 1.00 0.00 C ATOM 1075 CD LYS A 68 18.456 -3.993 -29.120 1.00 0.00 C ATOM 1076 CE LYS A 68 18.362 -2.986 -30.277 1.00 0.00 C ATOM 1077 NZ LYS A 68 18.894 -3.540 -31.548 1.00 0.00 N ATOM 0 H LYS A 68 19.448 -0.715 -24.866 1.00 0.00 H new ATOM 0 HA LYS A 68 16.927 -1.579 -26.128 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.591 -1.431 -27.966 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.641 -2.520 -27.080 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.813 -4.250 -27.080 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.803 -3.164 -28.014 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.502 -4.243 -28.944 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.951 -4.916 -29.404 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.322 -2.693 -30.418 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.915 -2.083 -30.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.810 -2.826 -32.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.894 -3.796 -31.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.351 -4.386 -31.812 1.00 0.00 H new ATOM 1091 N VAL A 69 17.025 -2.906 -23.992 1.00 0.00 N ATOM 1092 CA VAL A 69 16.806 -4.077 -23.152 1.00 0.00 C ATOM 1093 C VAL A 69 16.687 -5.299 -24.072 1.00 0.00 C ATOM 1094 O VAL A 69 16.014 -5.235 -25.105 1.00 0.00 O ATOM 1095 CB VAL A 69 15.575 -3.861 -22.235 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.325 -3.312 -22.945 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.180 -5.142 -21.482 1.00 0.00 C ATOM 0 H VAL A 69 16.309 -2.186 -23.899 1.00 0.00 H new ATOM 0 HA VAL A 69 17.643 -4.247 -22.474 1.00 0.00 H new ATOM 0 HB VAL A 69 15.916 -3.097 -21.536 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.518 -3.195 -22.222 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.555 -2.345 -23.391 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.015 -4.007 -23.725 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.313 -4.941 -20.853 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.934 -5.925 -22.200 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.013 -5.469 -20.859 1.00 0.00 H new ATOM 1107 N THR A 70 17.316 -6.410 -23.692 1.00 0.00 N ATOM 1108 CA THR A 70 17.220 -7.688 -24.385 1.00 0.00 C ATOM 1109 C THR A 70 16.657 -8.774 -23.455 1.00 0.00 C ATOM 1110 O THR A 70 16.138 -9.778 -23.947 1.00 0.00 O ATOM 1111 CB THR A 70 18.593 -8.055 -24.981 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.598 -8.075 -23.984 1.00 0.00 O ATOM 1113 CG2 THR A 70 19.037 -7.034 -26.037 1.00 0.00 C ATOM 0 H THR A 70 17.922 -6.444 -22.872 1.00 0.00 H new ATOM 0 HA THR A 70 16.516 -7.607 -25.213 1.00 0.00 H new ATOM 0 HB THR A 70 18.473 -9.042 -25.428 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.458 -8.312 -24.391 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.009 -7.323 -26.437 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.306 -7.005 -26.845 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.112 -6.047 -25.580 1.00 0.00 H new ATOM 1121 N ASP A 71 16.689 -8.574 -22.129 1.00 0.00 N ATOM 1122 CA ASP A 71 16.061 -9.459 -21.148 1.00 0.00 C ATOM 1123 C ASP A 71 15.733 -8.667 -19.880 1.00 0.00 C ATOM 1124 O ASP A 71 16.412 -7.688 -19.560 1.00 0.00 O ATOM 1125 CB ASP A 71 16.991 -10.637 -20.822 1.00 0.00 C ATOM 1126 CG ASP A 71 16.371 -11.584 -19.783 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.216 -12.024 -19.980 1.00 0.00 O ATOM 1128 OD2 ASP A 71 17.047 -11.915 -18.784 1.00 0.00 O ATOM 0 H ASP A 71 17.162 -7.776 -21.705 1.00 0.00 H new ATOM 0 HA ASP A 71 15.137 -9.859 -21.565 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.209 -11.192 -21.735 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.941 -10.257 -20.446 1.00 0.00 H new ATOM 1133 N ILE A 72 14.692 -9.080 -19.162 1.00 0.00 N ATOM 1134 CA ILE A 72 14.172 -8.432 -17.964 1.00 0.00 C ATOM 1135 C ILE A 72 13.634 -9.522 -17.020 1.00 0.00 C ATOM 1136 O ILE A 72 13.097 -10.534 -17.483 1.00 0.00 O ATOM 1137 CB ILE A 72 13.119 -7.362 -18.366 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.508 -6.673 -17.126 1.00 0.00 C ATOM 1139 CG2 ILE A 72 12.013 -7.910 -19.295 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.711 -5.402 -17.449 1.00 0.00 C ATOM 0 H ILE A 72 14.164 -9.916 -19.413 1.00 0.00 H new ATOM 0 HA ILE A 72 14.950 -7.894 -17.422 1.00 0.00 H new ATOM 0 HB ILE A 72 13.663 -6.614 -18.943 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.854 -7.380 -16.615 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.309 -6.421 -16.431 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.312 -7.111 -19.536 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.463 -8.288 -20.213 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.483 -8.718 -18.792 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.314 -4.977 -16.527 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.365 -4.675 -17.932 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.887 -5.649 -18.118 1.00 0.00 H new ATOM 1152 N SER A 73 13.763 -9.309 -15.709 1.00 0.00 N ATOM 1153 CA SER A 73 13.380 -10.242 -14.650 1.00 0.00 C ATOM 1154 C SER A 73 12.736 -9.446 -13.513 1.00 0.00 C ATOM 1155 O SER A 73 13.110 -8.292 -13.306 1.00 0.00 O ATOM 1156 CB SER A 73 14.633 -10.974 -14.140 1.00 0.00 C ATOM 1157 OG SER A 73 15.294 -11.667 -15.189 1.00 0.00 O ATOM 0 H SER A 73 14.155 -8.442 -15.341 1.00 0.00 H new ATOM 0 HA SER A 73 12.672 -10.979 -15.029 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.317 -10.255 -13.689 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.351 -11.679 -13.358 1.00 0.00 H new ATOM 0 HG SER A 73 16.087 -12.120 -14.833 1.00 0.00 H new ATOM 1163 N VAL A 74 11.790 -10.034 -12.774 1.00 0.00 N ATOM 1164 CA VAL A 74 10.973 -9.338 -11.775 1.00 0.00 C ATOM 1165 C VAL A 74 10.798 -10.246 -10.549 1.00 0.00 C ATOM 1166 O VAL A 74 10.642 -11.462 -10.691 1.00 0.00 O ATOM 1167 CB VAL A 74 9.598 -8.970 -12.396 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.703 -8.181 -11.422 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.729 -8.167 -13.703 1.00 0.00 C ATOM 0 H VAL A 74 11.566 -11.026 -12.855 1.00 0.00 H new ATOM 0 HA VAL A 74 11.464 -8.417 -11.461 1.00 0.00 H new ATOM 0 HB VAL A 74 9.129 -9.929 -12.617 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.754 -7.949 -11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.519 -8.780 -10.531 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.202 -7.254 -11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.736 -7.939 -14.091 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.265 -7.238 -13.507 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.279 -8.755 -14.438 1.00 0.00 H new ATOM 1179 N THR A 75 10.757 -9.642 -9.359 1.00 0.00 N ATOM 1180 CA THR A 75 10.322 -10.245 -8.102 1.00 0.00 C ATOM 1181 C THR A 75 9.466 -9.185 -7.396 1.00 0.00 C ATOM 1182 O THR A 75 9.813 -8.005 -7.447 1.00 0.00 O ATOM 1183 CB THR A 75 11.553 -10.625 -7.249 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.524 -11.327 -8.009 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.180 -11.504 -6.050 1.00 0.00 C ATOM 0 H THR A 75 11.041 -8.669 -9.243 1.00 0.00 H new ATOM 0 HA THR A 75 9.750 -11.159 -8.263 1.00 0.00 H new ATOM 0 HB THR A 75 11.963 -9.678 -6.897 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.288 -11.549 -7.438 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.078 -11.744 -5.482 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.478 -10.968 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.717 -12.425 -6.404 1.00 0.00 H new ATOM 1193 N GLU A 76 8.367 -9.565 -6.741 1.00 0.00 N ATOM 1194 CA GLU A 76 7.421 -8.638 -6.121 1.00 0.00 C ATOM 1195 C GLU A 76 7.192 -8.995 -4.647 1.00 0.00 C ATOM 1196 O GLU A 76 7.446 -10.129 -4.229 1.00 0.00 O ATOM 1197 CB GLU A 76 6.124 -8.621 -6.943 1.00 0.00 C ATOM 1198 CG GLU A 76 5.302 -9.919 -6.859 1.00 0.00 C ATOM 1199 CD GLU A 76 4.061 -9.859 -7.768 1.00 0.00 C ATOM 1200 OE1 GLU A 76 4.147 -10.248 -8.955 1.00 0.00 O ATOM 1201 OE2 GLU A 76 2.976 -9.445 -7.298 1.00 0.00 O ATOM 0 H GLU A 76 8.106 -10.544 -6.625 1.00 0.00 H new ATOM 0 HA GLU A 76 7.831 -7.628 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.505 -7.790 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.372 -8.429 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.925 -10.765 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.992 -10.089 -5.828 1.00 0.00 H new ATOM 1208 N SER A 77 6.728 -8.023 -3.859 1.00 0.00 N ATOM 1209 CA SER A 77 6.563 -8.130 -2.417 1.00 0.00 C ATOM 1210 C SER A 77 5.568 -7.072 -1.916 1.00 0.00 C ATOM 1211 O SER A 77 5.121 -6.192 -2.657 1.00 0.00 O ATOM 1212 CB SER A 77 7.942 -7.952 -1.756 1.00 0.00 C ATOM 1213 OG SER A 77 7.903 -8.304 -0.383 1.00 0.00 O ATOM 0 H SER A 77 6.449 -7.112 -4.224 1.00 0.00 H new ATOM 0 HA SER A 77 6.160 -9.108 -2.155 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.677 -8.570 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.267 -6.917 -1.859 1.00 0.00 H new ATOM 0 HG SER A 77 8.792 -8.183 0.011 1.00 0.00 H new ATOM 1219 N ARG A 78 5.266 -7.142 -0.619 1.00 0.00 N ATOM 1220 CA ARG A 78 4.533 -6.131 0.145 1.00 0.00 C ATOM 1221 C ARG A 78 5.358 -5.695 1.368 1.00 0.00 C ATOM 1222 O ARG A 78 4.916 -4.840 2.135 1.00 0.00 O ATOM 1223 CB ARG A 78 3.140 -6.694 0.487 1.00 0.00 C ATOM 1224 CG ARG A 78 2.163 -5.652 1.063 1.00 0.00 C ATOM 1225 CD ARG A 78 0.712 -6.152 1.058 1.00 0.00 C ATOM 1226 NE ARG A 78 0.511 -7.303 1.959 1.00 0.00 N ATOM 1227 CZ ARG A 78 -0.589 -8.066 2.016 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -1.630 -7.818 1.224 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -0.644 -9.080 2.874 1.00 0.00 N ATOM 0 H ARG A 78 5.538 -7.941 -0.046 1.00 0.00 H new ATOM 0 HA ARG A 78 4.377 -5.223 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.704 -7.126 -0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.255 -7.505 1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.457 -5.406 2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.231 -4.733 0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.050 -5.340 1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.431 -6.435 0.043 1.00 0.00 H new ATOM 0 HE ARG A 78 1.275 -7.538 2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.596 -7.040 0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.462 -8.406 1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.149 -9.274 3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.479 -9.664 2.921 1.00 0.00 H new ATOM 1243 N SER A 79 6.564 -6.239 1.544 1.00 0.00 N ATOM 1244 CA SER A 79 7.574 -5.684 2.431 1.00 0.00 C ATOM 1245 C SER A 79 8.231 -4.548 1.648 1.00 0.00 C ATOM 1246 O SER A 79 8.509 -4.706 0.456 1.00 0.00 O ATOM 1247 CB SER A 79 8.596 -6.767 2.800 1.00 0.00 C ATOM 1248 OG SER A 79 7.957 -7.901 3.376 1.00 0.00 O ATOM 0 H SER A 79 6.865 -7.088 1.066 1.00 0.00 H new ATOM 0 HA SER A 79 7.148 -5.319 3.366 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.147 -7.070 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.324 -6.360 3.502 1.00 0.00 H new ATOM 0 HG SER A 79 8.630 -8.577 3.600 1.00 0.00 H new ATOM 1254 N LEU A 80 8.434 -3.396 2.287 1.00 0.00 N ATOM 1255 CA LEU A 80 8.765 -2.147 1.605 1.00 0.00 C ATOM 1256 C LEU A 80 10.139 -1.663 2.079 1.00 0.00 C ATOM 1257 O LEU A 80 10.691 -2.188 3.049 1.00 0.00 O ATOM 1258 CB LEU A 80 7.669 -1.088 1.852 1.00 0.00 C ATOM 1259 CG LEU A 80 6.203 -1.550 1.685 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.265 -0.357 1.895 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.890 -2.191 0.325 1.00 0.00 C ATOM 0 H LEU A 80 8.373 -3.304 3.301 1.00 0.00 H new ATOM 0 HA LEU A 80 8.810 -2.316 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.791 -0.703 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.842 -0.255 1.171 1.00 0.00 H new ATOM 0 HG LEU A 80 6.048 -2.324 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.231 -0.682 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.407 0.045 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.488 0.415 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.841 -2.485 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.089 -1.473 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.518 -3.071 0.184 1.00 0.00 H new ATOM 1273 N GLU A 81 10.691 -0.648 1.414 1.00 0.00 N ATOM 1274 CA GLU A 81 12.033 -0.138 1.683 1.00 0.00 C ATOM 1275 C GLU A 81 11.998 1.063 2.642 1.00 0.00 C ATOM 1276 O GLU A 81 13.051 1.576 3.027 1.00 0.00 O ATOM 1277 CB GLU A 81 12.723 0.249 0.363 1.00 0.00 C ATOM 1278 CG GLU A 81 12.734 -0.831 -0.718 1.00 0.00 C ATOM 1279 CD GLU A 81 13.258 -2.170 -0.174 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.464 -2.281 0.141 1.00 0.00 O ATOM 1281 OE2 GLU A 81 12.450 -3.115 -0.054 1.00 0.00 O ATOM 0 H GLU A 81 10.211 -0.151 0.664 1.00 0.00 H new ATOM 0 HA GLU A 81 12.604 -0.930 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 81 12.229 1.134 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.753 0.530 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.725 -0.966 -1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.358 -0.507 -1.551 1.00 0.00 H new ATOM 1288 N GLY A 82 10.802 1.540 3.006 1.00 0.00 N ATOM 1289 CA GLY A 82 10.597 2.732 3.819 1.00 0.00 C ATOM 1290 C GLY A 82 11.141 3.995 3.142 1.00 0.00 C ATOM 1291 O GLY A 82 11.443 4.970 3.833 1.00 0.00 O ATOM 0 H GLY A 82 9.928 1.090 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.532 2.857 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.086 2.600 4.784 1.00 0.00 H new ATOM 1295 N HIS A 83 11.328 3.972 1.817 1.00 0.00 N ATOM 1296 CA HIS A 83 11.890 5.090 1.076 1.00 0.00 C ATOM 1297 C HIS A 83 10.832 6.185 0.891 1.00 0.00 C ATOM 1298 O HIS A 83 9.627 5.920 0.931 1.00 0.00 O ATOM 1299 CB HIS A 83 12.444 4.592 -0.269 1.00 0.00 C ATOM 1300 CG HIS A 83 13.816 3.965 -0.170 1.00 0.00 C ATOM 1301 ND1 HIS A 83 14.302 3.163 0.844 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.837 4.132 -1.069 1.00 0.00 C ATOM 1303 CE1 HIS A 83 15.575 2.848 0.550 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.951 3.418 -0.609 1.00 0.00 N ATOM 0 H HIS A 83 11.090 3.170 1.233 1.00 0.00 H new ATOM 0 HA HIS A 83 12.716 5.527 1.637 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.751 3.863 -0.689 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.487 5.429 -0.966 1.00 0.00 H new ATOM 0 HD1 HIS A 83 13.786 2.863 1.671 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.791 4.715 -1.977 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.209 2.223 1.161 1.00 0.00 H new ATOM 1312 N HIS A 84 11.297 7.414 0.642 1.00 0.00 N ATOM 1313 CA HIS A 84 10.458 8.603 0.467 1.00 0.00 C ATOM 1314 C HIS A 84 10.850 9.408 -0.785 1.00 0.00 C ATOM 1315 O HIS A 84 10.271 10.465 -1.049 1.00 0.00 O ATOM 1316 CB HIS A 84 10.528 9.461 1.742 1.00 0.00 C ATOM 1317 CG HIS A 84 11.906 10.011 2.033 1.00 0.00 C ATOM 1318 ND1 HIS A 84 12.472 11.137 1.475 1.00 0.00 N ATOM 1319 CD2 HIS A 84 12.833 9.473 2.886 1.00 0.00 C ATOM 1320 CE1 HIS A 84 13.711 11.273 1.979 1.00 0.00 C ATOM 1321 NE2 HIS A 84 13.981 10.278 2.846 1.00 0.00 N ATOM 0 H HIS A 84 12.293 7.614 0.554 1.00 0.00 H new ATOM 0 HA HIS A 84 9.428 8.285 0.308 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.828 10.291 1.649 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.200 8.861 2.591 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.703 8.584 3.485 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.395 12.069 1.724 1.00 0.00 H new ATOM 0 HE2 HIS A 84 14.846 10.138 3.368 1.00 0.00 H new ATOM 1329 N ARG A 85 11.825 8.925 -1.561 1.00 0.00 N ATOM 1330 CA ARG A 85 12.260 9.488 -2.836 1.00 0.00 C ATOM 1331 C ARG A 85 12.736 8.341 -3.720 1.00 0.00 C ATOM 1332 O ARG A 85 12.951 7.232 -3.219 1.00 0.00 O ATOM 1333 CB ARG A 85 13.383 10.522 -2.616 1.00 0.00 C ATOM 1334 CG ARG A 85 14.618 9.965 -1.876 1.00 0.00 C ATOM 1335 CD ARG A 85 15.847 10.862 -2.061 1.00 0.00 C ATOM 1336 NE ARG A 85 16.317 10.807 -3.455 1.00 0.00 N ATOM 1337 CZ ARG A 85 16.869 11.791 -4.170 1.00 0.00 C ATOM 1338 NH1 ARG A 85 17.259 12.925 -3.593 1.00 0.00 N ATOM 1339 NH2 ARG A 85 17.011 11.613 -5.477 1.00 0.00 N ATOM 0 H ARG A 85 12.355 8.093 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 85 11.434 10.008 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.698 10.911 -3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.982 11.363 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.393 9.872 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.841 8.963 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.599 11.889 -1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.643 10.542 -1.389 1.00 0.00 H new ATOM 0 HE ARG A 85 16.208 9.912 -3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.138 13.054 -2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.679 13.665 -4.155 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.702 10.743 -5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.429 12.347 -6.049 1.00 0.00 H new ATOM 1353 N PHE A 86 12.927 8.598 -5.012 1.00 0.00 N ATOM 1354 CA PHE A 86 13.647 7.683 -5.884 1.00 0.00 C ATOM 1355 C PHE A 86 15.102 8.156 -5.952 1.00 0.00 C ATOM 1356 O PHE A 86 15.353 9.359 -5.812 1.00 0.00 O ATOM 1357 CB PHE A 86 12.979 7.631 -7.267 1.00 0.00 C ATOM 1358 CG PHE A 86 13.144 6.283 -7.939 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.488 5.154 -7.420 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.944 6.149 -9.083 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.679 3.891 -8.002 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.126 4.891 -9.682 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.504 3.758 -9.131 1.00 0.00 C ATOM 0 H PHE A 86 12.589 9.440 -5.478 1.00 0.00 H new ATOM 0 HA PHE A 86 13.624 6.665 -5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.917 7.854 -7.163 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.407 8.406 -7.903 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.833 5.259 -6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.424 7.019 -9.507 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.192 3.023 -7.582 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.742 4.795 -10.564 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.660 2.786 -9.575 1.00 0.00 H new ATOM 1373 N SER A 87 16.055 7.245 -6.157 1.00 0.00 N ATOM 1374 CA SER A 87 17.481 7.576 -6.140 1.00 0.00 C ATOM 1375 C SER A 87 18.252 6.817 -7.227 1.00 0.00 C ATOM 1376 O SER A 87 17.785 5.787 -7.727 1.00 0.00 O ATOM 1377 CB SER A 87 18.039 7.267 -4.744 1.00 0.00 C ATOM 1378 OG SER A 87 17.324 7.986 -3.748 1.00 0.00 O ATOM 0 H SER A 87 15.861 6.260 -6.339 1.00 0.00 H new ATOM 0 HA SER A 87 17.605 8.637 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.970 6.197 -4.548 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.096 7.531 -4.702 1.00 0.00 H new ATOM 0 HG SER A 87 17.692 7.775 -2.865 1.00 0.00 H new ATOM 1384 N ILE A 88 19.428 7.326 -7.608 1.00 0.00 N ATOM 1385 CA ILE A 88 20.395 6.601 -8.431 1.00 0.00 C ATOM 1386 C ILE A 88 21.478 6.136 -7.454 1.00 0.00 C ATOM 1387 O ILE A 88 21.930 6.920 -6.612 1.00 0.00 O ATOM 1388 CB ILE A 88 20.979 7.465 -9.583 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.876 8.151 -10.421 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.829 6.578 -10.514 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.370 9.033 -11.576 1.00 0.00 C ATOM 0 H ILE A 88 19.736 8.263 -7.350 1.00 0.00 H new ATOM 0 HA ILE A 88 19.923 5.764 -8.945 1.00 0.00 H new ATOM 0 HB ILE A 88 21.588 8.244 -9.125 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.224 7.380 -10.830 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.267 8.763 -9.755 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.238 7.185 -11.322 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.645 6.132 -9.946 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.205 5.789 -10.934 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.515 9.464 -12.096 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.996 9.833 -11.181 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.951 8.429 -12.272 1.00 0.00 H new ATOM 1403 N VAL A 89 21.882 4.873 -7.550 1.00 0.00 N ATOM 1404 CA VAL A 89 22.900 4.252 -6.700 1.00 0.00 C ATOM 1405 C VAL A 89 23.852 3.486 -7.643 1.00 0.00 C ATOM 1406 O VAL A 89 23.589 3.403 -8.846 1.00 0.00 O ATOM 1407 CB VAL A 89 22.210 3.406 -5.587 1.00 0.00 C ATOM 1408 CG1 VAL A 89 23.186 2.956 -4.487 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.064 4.160 -4.880 1.00 0.00 C ATOM 0 H VAL A 89 21.499 4.230 -8.243 1.00 0.00 H new ATOM 0 HA VAL A 89 23.506 4.967 -6.144 1.00 0.00 H new ATOM 0 HB VAL A 89 21.819 2.542 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 89 22.648 2.371 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.974 2.345 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.628 3.832 -4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.624 3.519 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.456 5.064 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.302 4.431 -5.610 1.00 0.00 H new