USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 170:sc= 0 (180deg=-0.194) USER MOD Single : A 12 MET CE :methyl -167:sc=-0.00413 (180deg=-0.148) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.0434 (180deg=-0.302) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.276 F(o=-1.7,f=-0.28) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.207 USER MOD Single : A 32 ASN : amide:sc= -0.197 K(o=-0.2,f=-2.4!) USER MOD Single : A 35 ASN : amide:sc= -0.469 K(o=-0.47,f=-2.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -60:sc= 0.576 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 58 MET CE :methyl 148:sc= -3.12 (180deg=-6.45!) USER MOD Single : A 60 THR OG1 : rot 63:sc= 1.19 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 70 SER OG : rot 180:sc=-0.00858 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -3.15! X(o=-3.1!,f=-2.8) USER MOD Single : A 82 LYS NZ :NH3+ -124:sc= -0.367 (180deg=-1.85!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.372 5.638 4.586 1.00 0.00 N ATOM 2 CA MET A 1 -11.470 5.825 3.644 1.00 0.00 C ATOM 3 C MET A 1 -10.965 5.788 2.206 1.00 0.00 C ATOM 4 O MET A 1 -10.491 6.794 1.678 1.00 0.00 O ATOM 5 CB MET A 1 -12.181 7.153 3.913 1.00 0.00 C ATOM 6 CG MET A 1 -13.669 7.120 3.600 1.00 0.00 C ATOM 7 SD MET A 1 -14.674 6.720 5.042 1.00 0.00 S ATOM 8 CE MET A 1 -16.205 6.221 4.260 1.00 0.00 C ATOM 0 H1 MET A 1 -10.740 5.667 5.558 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.920 4.717 4.414 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.672 6.396 4.458 1.00 0.00 H new ATOM 0 HA MET A 1 -12.178 5.008 3.783 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.044 7.423 4.960 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.710 7.935 3.318 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.975 8.089 3.206 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.855 6.385 2.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.930 5.943 5.025 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.599 7.049 3.670 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.019 5.367 3.608 1.00 0.00 H new ATOM 16 N ALA A 2 -11.069 4.622 1.576 1.00 0.00 N ATOM 17 CA ALA A 2 -10.624 4.455 0.199 1.00 0.00 C ATOM 18 C ALA A 2 -11.049 3.099 -0.355 1.00 0.00 C ATOM 19 O ALA A 2 -11.660 2.295 0.348 1.00 0.00 O ATOM 20 CB ALA A 2 -9.113 4.614 0.109 1.00 0.00 C ATOM 0 H ALA A 2 -11.458 3.779 1.998 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.096 5.229 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.795 4.487 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.830 5.608 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.630 3.861 0.732 1.00 0.00 H new ATOM 26 N ARG A 3 -10.722 2.853 -1.619 1.00 0.00 N ATOM 27 CA ARG A 3 -11.072 1.595 -2.268 1.00 0.00 C ATOM 28 C ARG A 3 -9.958 1.138 -3.206 1.00 0.00 C ATOM 29 O ARG A 3 -9.025 1.890 -3.489 1.00 0.00 O ATOM 30 CB ARG A 3 -12.380 1.745 -3.046 1.00 0.00 C ATOM 31 CG ARG A 3 -12.431 2.988 -3.920 1.00 0.00 C ATOM 32 CD ARG A 3 -13.816 3.198 -4.511 1.00 0.00 C ATOM 33 NE ARG A 3 -14.118 2.225 -5.556 1.00 0.00 N ATOM 34 CZ ARG A 3 -13.577 2.258 -6.770 1.00 0.00 C ATOM 35 NH1 ARG A 3 -12.710 3.210 -7.087 1.00 0.00 N ATOM 36 NH2 ARG A 3 -13.902 1.337 -7.668 1.00 0.00 N ATOM 0 H ARG A 3 -10.215 3.508 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.203 0.839 -1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.523 0.865 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.211 1.773 -2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.150 3.860 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.701 2.899 -4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.563 3.124 -3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.886 4.205 -4.922 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.780 1.479 -5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.457 3.919 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -12.296 3.233 -8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.568 0.603 -7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.486 1.363 -8.599 1.00 0.00 H new ATOM 47 N GLY A 4 -10.063 -0.097 -3.685 1.00 0.00 N ATOM 48 CA GLY A 4 -9.059 -0.632 -4.584 1.00 0.00 C ATOM 49 C GLY A 4 -9.534 -1.876 -5.311 1.00 0.00 C ATOM 50 O GLY A 4 -10.660 -2.330 -5.107 1.00 0.00 O ATOM 0 H GLY A 4 -10.826 -0.737 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.787 0.130 -5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.158 -0.868 -4.018 1.00 0.00 H new ATOM 54 N SER A 5 -8.675 -2.427 -6.161 1.00 0.00 N ATOM 55 CA SER A 5 -9.014 -3.623 -6.924 1.00 0.00 C ATOM 56 C SER A 5 -8.327 -4.854 -6.340 1.00 0.00 C ATOM 57 O SER A 5 -7.407 -5.408 -6.940 1.00 0.00 O ATOM 58 CB SER A 5 -8.614 -3.449 -8.390 1.00 0.00 C ATOM 59 OG SER A 5 -9.292 -2.352 -8.977 1.00 0.00 O ATOM 0 H SER A 5 -7.738 -2.065 -6.339 1.00 0.00 H new ATOM 0 HA SER A 5 -10.093 -3.768 -6.864 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.537 -3.295 -8.461 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.843 -4.360 -8.943 1.00 0.00 H new ATOM 0 HG SER A 5 -9.018 -2.261 -9.913 1.00 0.00 H new ATOM 64 N VAL A 6 -8.781 -5.275 -5.164 1.00 0.00 N ATOM 65 CA VAL A 6 -8.213 -6.440 -4.497 1.00 0.00 C ATOM 66 C VAL A 6 -9.302 -7.425 -4.087 1.00 0.00 C ATOM 67 O VAL A 6 -10.434 -7.033 -3.805 1.00 0.00 O ATOM 68 CB VAL A 6 -7.406 -6.035 -3.249 1.00 0.00 C ATOM 69 CG1 VAL A 6 -8.250 -6.189 -1.994 1.00 0.00 C ATOM 70 CG2 VAL A 6 -6.131 -6.859 -3.150 1.00 0.00 C ATOM 0 H VAL A 6 -9.541 -4.826 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.545 -6.919 -5.213 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.127 -4.985 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.663 -5.898 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.131 -5.551 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.562 -7.228 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.573 -6.560 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.386 -7.916 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.520 -6.692 -4.037 1.00 0.00 H new ATOM 80 N SER A 7 -8.952 -8.707 -4.055 1.00 0.00 N ATOM 81 CA SER A 7 -9.901 -9.750 -3.682 1.00 0.00 C ATOM 82 C SER A 7 -10.611 -9.396 -2.380 1.00 0.00 C ATOM 83 O SER A 7 -10.046 -8.730 -1.511 1.00 0.00 O ATOM 84 CB SER A 7 -9.184 -11.092 -3.537 1.00 0.00 C ATOM 85 OG SER A 7 -9.478 -11.948 -4.628 1.00 0.00 O ATOM 0 H SER A 7 -8.018 -9.048 -4.283 1.00 0.00 H new ATOM 0 HA SER A 7 -10.647 -9.829 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.108 -10.928 -3.479 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.485 -11.570 -2.605 1.00 0.00 H new ATOM 0 HG SER A 7 -9.006 -12.799 -4.512 1.00 0.00 H new ATOM 90 N ASP A 8 -11.854 -9.846 -2.250 1.00 0.00 N ATOM 91 CA ASP A 8 -12.643 -9.580 -1.053 1.00 0.00 C ATOM 92 C ASP A 8 -11.868 -9.957 0.205 1.00 0.00 C ATOM 93 O ASP A 8 -11.664 -9.129 1.091 1.00 0.00 O ATOM 94 CB ASP A 8 -13.964 -10.352 -1.104 1.00 0.00 C ATOM 95 CG ASP A 8 -15.092 -9.529 -1.695 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.108 -9.343 -2.930 1.00 0.00 O ATOM 97 OD2 ASP A 8 -15.960 -9.073 -0.923 1.00 0.00 O ATOM 0 H ASP A 8 -12.337 -10.397 -2.959 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.856 -8.512 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.830 -11.257 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.237 -10.667 -0.097 1.00 0.00 H new ATOM 101 N GLU A 9 -11.441 -11.214 0.276 1.00 0.00 N ATOM 102 CA GLU A 9 -10.689 -11.701 1.426 1.00 0.00 C ATOM 103 C GLU A 9 -9.563 -10.737 1.788 1.00 0.00 C ATOM 104 O GLU A 9 -9.511 -10.219 2.904 1.00 0.00 O ATOM 105 CB GLU A 9 -10.113 -13.089 1.137 1.00 0.00 C ATOM 106 CG GLU A 9 -11.004 -14.227 1.606 1.00 0.00 C ATOM 107 CD GLU A 9 -10.835 -15.482 0.773 1.00 0.00 C ATOM 108 OE1 GLU A 9 -11.836 -16.204 0.579 1.00 0.00 O ATOM 109 OE2 GLU A 9 -9.702 -15.743 0.315 1.00 0.00 O ATOM 0 H GLU A 9 -11.603 -11.913 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.373 -11.768 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.946 -13.188 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.140 -13.177 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.779 -14.454 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.045 -13.908 1.568 1.00 0.00 H new ATOM 114 N GLU A 10 -8.665 -10.500 0.838 1.00 0.00 N ATOM 115 CA GLU A 10 -7.539 -9.601 1.057 1.00 0.00 C ATOM 116 C GLU A 10 -8.023 -8.222 1.500 1.00 0.00 C ATOM 117 O GLU A 10 -7.637 -7.727 2.557 1.00 0.00 O ATOM 118 CB GLU A 10 -6.702 -9.475 -0.217 1.00 0.00 C ATOM 119 CG GLU A 10 -5.457 -10.346 -0.217 1.00 0.00 C ATOM 120 CD GLU A 10 -5.697 -11.705 0.411 1.00 0.00 C ATOM 121 OE1 GLU A 10 -4.858 -12.136 1.230 1.00 0.00 O ATOM 122 OE2 GLU A 10 -6.723 -12.338 0.084 1.00 0.00 O ATOM 0 H GLU A 10 -8.695 -10.919 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.919 -10.022 1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.320 -9.739 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.407 -8.434 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.111 -10.479 -1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.661 -9.835 0.324 1.00 0.00 H new ATOM 127 N MET A 11 -8.871 -7.609 0.680 1.00 0.00 N ATOM 128 CA MET A 11 -9.409 -6.288 0.987 1.00 0.00 C ATOM 129 C MET A 11 -9.695 -6.150 2.478 1.00 0.00 C ATOM 130 O MET A 11 -9.378 -5.131 3.089 1.00 0.00 O ATOM 131 CB MET A 11 -10.686 -6.035 0.184 1.00 0.00 C ATOM 132 CG MET A 11 -11.074 -4.568 0.106 1.00 0.00 C ATOM 133 SD MET A 11 -9.800 -3.552 -0.666 1.00 0.00 S ATOM 134 CE MET A 11 -10.531 -1.923 -0.520 1.00 0.00 C ATOM 0 H MET A 11 -9.200 -8.005 -0.201 1.00 0.00 H new ATOM 0 HA MET A 11 -8.661 -5.545 0.709 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.552 -6.421 -0.826 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.505 -6.596 0.634 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.002 -4.471 -0.458 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.272 -4.195 1.111 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.793 -1.167 -0.789 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.388 -1.847 -1.189 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.858 -1.762 0.507 1.00 0.00 H new ATOM 142 N MET A 12 -10.297 -7.184 3.059 1.00 0.00 N ATOM 143 CA MET A 12 -10.626 -7.178 4.479 1.00 0.00 C ATOM 144 C MET A 12 -9.360 -7.223 5.330 1.00 0.00 C ATOM 145 O MET A 12 -9.226 -6.476 6.298 1.00 0.00 O ATOM 146 CB MET A 12 -11.527 -8.365 4.821 1.00 0.00 C ATOM 147 CG MET A 12 -13.010 -8.038 4.767 1.00 0.00 C ATOM 148 SD MET A 12 -13.561 -7.581 3.112 1.00 0.00 S ATOM 149 CE MET A 12 -13.787 -5.816 3.305 1.00 0.00 C ATOM 0 H MET A 12 -10.566 -8.036 2.567 1.00 0.00 H new ATOM 0 HA MET A 12 -11.158 -6.253 4.699 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.318 -9.181 4.129 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.279 -8.723 5.820 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.581 -8.901 5.110 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.223 -7.220 5.455 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.340 -5.424 2.451 1.00 0.00 H new ATOM 0 HE2 MET A 12 -14.345 -5.619 4.220 1.00 0.00 H new ATOM 0 HE3 MET A 12 -12.814 -5.329 3.362 1.00 0.00 H new ATOM 157 N GLU A 13 -8.436 -8.104 4.961 1.00 0.00 N ATOM 158 CA GLU A 13 -7.182 -8.246 5.692 1.00 0.00 C ATOM 159 C GLU A 13 -6.301 -7.014 5.506 1.00 0.00 C ATOM 160 O GLU A 13 -5.949 -6.337 6.473 1.00 0.00 O ATOM 161 CB GLU A 13 -6.434 -9.497 5.228 1.00 0.00 C ATOM 162 CG GLU A 13 -6.771 -10.743 6.031 1.00 0.00 C ATOM 163 CD GLU A 13 -6.637 -12.015 5.217 1.00 0.00 C ATOM 164 OE1 GLU A 13 -7.069 -13.079 5.708 1.00 0.00 O ATOM 165 OE2 GLU A 13 -6.101 -11.948 4.092 1.00 0.00 O ATOM 0 H GLU A 13 -8.532 -8.730 4.161 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.418 -8.345 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.664 -9.679 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.362 -9.313 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.114 -10.800 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.791 -10.663 6.408 1.00 0.00 H new ATOM 170 N LEU A 14 -5.948 -6.731 4.258 1.00 0.00 N ATOM 171 CA LEU A 14 -5.107 -5.581 3.943 1.00 0.00 C ATOM 172 C LEU A 14 -5.604 -4.330 4.661 1.00 0.00 C ATOM 173 O LEU A 14 -4.828 -3.619 5.299 1.00 0.00 O ATOM 174 CB LEU A 14 -5.083 -5.340 2.433 1.00 0.00 C ATOM 175 CG LEU A 14 -5.037 -6.590 1.554 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.796 -6.212 0.101 1.00 0.00 C ATOM 177 CD2 LEU A 14 -3.959 -7.546 2.044 1.00 0.00 C ATOM 0 H LEU A 14 -6.231 -7.282 3.447 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.095 -5.797 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.968 -4.763 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.216 -4.723 2.198 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.001 -7.095 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.766 -7.114 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.603 -5.566 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.846 -5.684 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.940 -8.430 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.989 -7.051 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.175 -7.843 3.070 1.00 0.00 H new ATOM 188 N ARG A 15 -6.903 -4.069 4.555 1.00 0.00 N ATOM 189 CA ARG A 15 -7.504 -2.906 5.196 1.00 0.00 C ATOM 190 C ARG A 15 -7.356 -2.983 6.712 1.00 0.00 C ATOM 191 O ARG A 15 -7.022 -1.994 7.363 1.00 0.00 O ATOM 192 CB ARG A 15 -8.983 -2.798 4.822 1.00 0.00 C ATOM 193 CG ARG A 15 -9.744 -1.765 5.637 1.00 0.00 C ATOM 194 CD ARG A 15 -11.007 -2.356 6.245 1.00 0.00 C ATOM 195 NE ARG A 15 -11.056 -2.168 7.693 1.00 0.00 N ATOM 196 CZ ARG A 15 -11.959 -2.743 8.479 1.00 0.00 C ATOM 197 NH1 ARG A 15 -12.883 -3.541 7.959 1.00 0.00 N ATOM 198 NH2 ARG A 15 -11.940 -2.522 9.787 1.00 0.00 N ATOM 0 H ARG A 15 -7.559 -4.648 4.031 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.981 -2.017 4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.064 -2.546 3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.454 -3.772 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.102 -1.381 6.430 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.006 -0.919 5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.881 -1.891 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.056 -3.420 6.016 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.358 -1.562 8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.901 -3.714 6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.576 -3.982 8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.231 -1.910 10.191 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.634 -2.964 10.389 1.00 0.00 H new ATOM 209 N GLU A 16 -7.608 -4.165 7.267 1.00 0.00 N ATOM 210 CA GLU A 16 -7.504 -4.369 8.707 1.00 0.00 C ATOM 211 C GLU A 16 -6.168 -3.854 9.234 1.00 0.00 C ATOM 212 O GLU A 16 -6.124 -3.058 10.172 1.00 0.00 O ATOM 213 CB GLU A 16 -7.661 -5.852 9.046 1.00 0.00 C ATOM 214 CG GLU A 16 -6.684 -6.342 10.103 1.00 0.00 C ATOM 215 CD GLU A 16 -7.067 -7.697 10.667 1.00 0.00 C ATOM 216 OE1 GLU A 16 -6.181 -8.377 11.226 1.00 0.00 O ATOM 217 OE2 GLU A 16 -8.250 -8.078 10.549 1.00 0.00 O ATOM 0 H GLU A 16 -7.885 -4.994 6.742 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.305 -3.807 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.679 -6.031 9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.526 -6.440 8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.686 -6.402 9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.637 -5.615 10.914 1.00 0.00 H new ATOM 222 N ALA A 17 -5.080 -4.316 8.625 1.00 0.00 N ATOM 223 CA ALA A 17 -3.743 -3.901 9.032 1.00 0.00 C ATOM 224 C ALA A 17 -3.509 -2.426 8.726 1.00 0.00 C ATOM 225 O ALA A 17 -3.142 -1.649 9.608 1.00 0.00 O ATOM 226 CB ALA A 17 -2.692 -4.760 8.343 1.00 0.00 C ATOM 0 H ALA A 17 -5.099 -4.977 7.849 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.658 -4.038 10.110 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.698 -4.440 8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.839 -5.805 8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.785 -4.652 7.262 1.00 0.00 H new ATOM 232 N PHE A 18 -3.723 -2.046 7.471 1.00 0.00 N ATOM 233 CA PHE A 18 -3.533 -0.663 7.048 1.00 0.00 C ATOM 234 C PHE A 18 -4.079 0.305 8.093 1.00 0.00 C ATOM 235 O PHE A 18 -3.511 1.372 8.323 1.00 0.00 O ATOM 236 CB PHE A 18 -4.219 -0.420 5.702 1.00 0.00 C ATOM 237 CG PHE A 18 -4.126 1.002 5.230 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.970 1.974 5.742 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.194 1.369 4.272 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.887 3.284 5.310 1.00 0.00 C ATOM 241 CE2 PHE A 18 -3.105 2.677 3.836 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.954 3.636 4.355 1.00 0.00 C ATOM 0 H PHE A 18 -4.028 -2.676 6.729 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.463 -0.486 6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.772 -1.073 4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.269 -0.700 5.783 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.702 1.704 6.489 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.529 0.623 3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.551 4.031 5.719 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.373 2.950 3.090 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.888 4.659 4.014 1.00 0.00 H new ATOM 251 N ALA A 19 -5.187 -0.076 8.720 1.00 0.00 N ATOM 252 CA ALA A 19 -5.811 0.757 9.741 1.00 0.00 C ATOM 253 C ALA A 19 -4.879 0.958 10.932 1.00 0.00 C ATOM 254 O ALA A 19 -4.612 2.087 11.342 1.00 0.00 O ATOM 255 CB ALA A 19 -7.126 0.140 10.195 1.00 0.00 C ATOM 0 H ALA A 19 -5.671 -0.956 8.539 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.013 1.734 9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.581 0.773 10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.801 0.055 9.344 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.939 -0.851 10.610 1.00 0.00 H new ATOM 261 N LYS A 20 -4.387 -0.147 11.484 1.00 0.00 N ATOM 262 CA LYS A 20 -3.484 -0.093 12.627 1.00 0.00 C ATOM 263 C LYS A 20 -2.262 0.765 12.317 1.00 0.00 C ATOM 264 O LYS A 20 -1.593 1.261 13.223 1.00 0.00 O ATOM 265 CB LYS A 20 -3.041 -1.506 13.019 1.00 0.00 C ATOM 266 CG LYS A 20 -3.965 -2.176 14.021 1.00 0.00 C ATOM 267 CD LYS A 20 -5.235 -2.681 13.357 1.00 0.00 C ATOM 268 CE LYS A 20 -5.008 -4.013 12.659 1.00 0.00 C ATOM 269 NZ LYS A 20 -4.772 -5.116 13.633 1.00 0.00 N ATOM 0 H LYS A 20 -4.599 -1.090 11.158 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.021 0.359 13.461 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.984 -2.122 12.122 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.036 -1.460 13.438 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.446 -3.008 14.496 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.222 -1.469 14.810 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.019 -2.791 14.106 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.586 -1.945 12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.874 -4.252 12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.152 -3.931 11.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.940 -6.031 13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.790 -5.075 13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.421 -5.012 14.439 1.00 0.00 H new ATOM 279 N VAL A 21 -1.978 0.939 11.030 1.00 0.00 N ATOM 280 CA VAL A 21 -0.840 1.742 10.600 1.00 0.00 C ATOM 281 C VAL A 21 -1.296 3.056 9.977 1.00 0.00 C ATOM 282 O VAL A 21 -0.480 3.850 9.508 1.00 0.00 O ATOM 283 CB VAL A 21 0.031 0.980 9.583 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.347 0.555 10.218 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.719 -0.224 9.035 1.00 0.00 C ATOM 0 H VAL A 21 -2.521 0.534 10.267 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.248 1.953 11.491 1.00 0.00 H new ATOM 0 HB VAL A 21 0.256 1.648 8.752 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.948 0.018 9.484 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.890 1.438 10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.147 -0.096 11.069 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.088 -0.750 8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.976 -0.896 9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.631 0.110 8.540 1.00 0.00 H new ATOM 295 N ASP A 22 -2.605 3.280 9.977 1.00 0.00 N ATOM 296 CA ASP A 22 -3.172 4.500 9.414 1.00 0.00 C ATOM 297 C ASP A 22 -3.742 5.392 10.512 1.00 0.00 C ATOM 298 O ASP A 22 -4.868 5.881 10.408 1.00 0.00 O ATOM 299 CB ASP A 22 -4.263 4.160 8.398 1.00 0.00 C ATOM 300 CG ASP A 22 -4.793 5.386 7.683 1.00 0.00 C ATOM 301 OD1 ASP A 22 -6.027 5.492 7.518 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.974 6.244 7.291 1.00 0.00 O ATOM 0 H ASP A 22 -3.294 2.633 10.361 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.373 5.042 8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.866 3.459 7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.085 3.657 8.907 1.00 0.00 H new ATOM 306 N THR A 23 -2.959 5.599 11.566 1.00 0.00 N ATOM 307 CA THR A 23 -3.386 6.429 12.685 1.00 0.00 C ATOM 308 C THR A 23 -3.186 7.909 12.380 1.00 0.00 C ATOM 309 O THR A 23 -3.391 8.764 13.242 1.00 0.00 O ATOM 310 CB THR A 23 -2.621 6.074 13.973 1.00 0.00 C ATOM 311 OG1 THR A 23 -1.233 6.389 13.821 1.00 0.00 O ATOM 312 CG2 THR A 23 -2.778 4.598 14.306 1.00 0.00 C ATOM 0 H THR A 23 -2.025 5.203 11.668 1.00 0.00 H new ATOM 0 HA THR A 23 -4.447 6.232 12.836 1.00 0.00 H new ATOM 0 HB THR A 23 -3.039 6.661 14.791 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.754 6.162 14.645 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.229 4.371 15.220 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.834 4.368 14.450 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.384 3.996 13.487 1.00 0.00 H new ATOM 320 N ASP A 24 -2.784 8.205 11.148 1.00 0.00 N ATOM 321 CA ASP A 24 -2.557 9.583 10.728 1.00 0.00 C ATOM 322 C ASP A 24 -3.847 10.393 10.800 1.00 0.00 C ATOM 323 O ASP A 24 -3.824 11.623 10.768 1.00 0.00 O ATOM 324 CB ASP A 24 -1.996 9.620 9.307 1.00 0.00 C ATOM 325 CG ASP A 24 -0.958 8.541 9.065 1.00 0.00 C ATOM 326 OD1 ASP A 24 -1.342 7.433 8.634 1.00 0.00 O ATOM 327 OD2 ASP A 24 0.238 8.804 9.308 1.00 0.00 O ATOM 0 H ASP A 24 -2.609 7.509 10.423 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.831 10.029 11.408 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.812 9.501 8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.550 10.597 9.121 1.00 0.00 H new ATOM 331 N GLY A 25 -4.975 9.694 10.896 1.00 0.00 N ATOM 332 CA GLY A 25 -6.260 10.364 10.969 1.00 0.00 C ATOM 333 C GLY A 25 -6.588 11.128 9.701 1.00 0.00 C ATOM 334 O GLY A 25 -7.474 11.981 9.695 1.00 0.00 O ATOM 0 H GLY A 25 -5.021 8.675 10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.040 9.627 11.158 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.260 11.052 11.814 1.00 0.00 H new ATOM 338 N ASN A 26 -5.872 10.820 8.624 1.00 0.00 N ATOM 339 CA ASN A 26 -6.091 11.485 7.345 1.00 0.00 C ATOM 340 C ASN A 26 -6.641 10.507 6.311 1.00 0.00 C ATOM 341 O ASN A 26 -7.205 10.914 5.296 1.00 0.00 O ATOM 342 CB ASN A 26 -4.786 12.102 6.837 1.00 0.00 C ATOM 343 CG ASN A 26 -4.056 12.879 7.916 1.00 0.00 C ATOM 344 OD1 ASN A 26 -2.866 12.413 8.277 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -4.556 13.885 8.418 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.136 10.114 8.612 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.824 12.277 7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.137 11.312 6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.002 12.765 5.999 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.473 14.207 8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.053 14.397 9.143 1.00 0.00 H new ATOM 351 N GLY A 27 -6.472 9.216 6.576 1.00 0.00 N ATOM 352 CA GLY A 27 -6.957 8.200 5.660 1.00 0.00 C ATOM 353 C GLY A 27 -5.832 7.485 4.938 1.00 0.00 C ATOM 354 O GLY A 27 -6.003 6.361 4.468 1.00 0.00 O ATOM 0 H GLY A 27 -6.008 8.855 7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.551 7.472 6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.619 8.662 4.927 1.00 0.00 H new ATOM 358 N TYR A 28 -4.678 8.138 4.851 1.00 0.00 N ATOM 359 CA TYR A 28 -3.522 7.559 4.177 1.00 0.00 C ATOM 360 C TYR A 28 -2.388 7.303 5.166 1.00 0.00 C ATOM 361 O TYR A 28 -2.245 8.014 6.161 1.00 0.00 O ATOM 362 CB TYR A 28 -3.039 8.486 3.061 1.00 0.00 C ATOM 363 CG TYR A 28 -3.188 9.956 3.385 1.00 0.00 C ATOM 364 CD1 TYR A 28 -2.357 10.568 4.315 1.00 0.00 C ATOM 365 CD2 TYR A 28 -4.159 10.730 2.763 1.00 0.00 C ATOM 366 CE1 TYR A 28 -2.489 11.910 4.616 1.00 0.00 C ATOM 367 CE2 TYR A 28 -4.297 12.073 3.057 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.460 12.658 3.984 1.00 0.00 C ATOM 369 OH TYR A 28 -3.596 13.995 4.280 1.00 0.00 O ATOM 0 H TYR A 28 -4.519 9.068 5.239 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.825 6.606 3.743 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.990 8.273 2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.596 8.265 2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.595 9.985 4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.817 10.275 2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.835 12.371 5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.056 12.662 2.564 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.325 14.375 3.747 1.00 0.00 H new ATOM 378 N ILE A 29 -1.586 6.283 4.883 1.00 0.00 N ATOM 379 CA ILE A 29 -0.464 5.933 5.745 1.00 0.00 C ATOM 380 C ILE A 29 0.844 6.497 5.202 1.00 0.00 C ATOM 381 O ILE A 29 0.870 7.120 4.140 1.00 0.00 O ATOM 382 CB ILE A 29 -0.326 4.406 5.899 1.00 0.00 C ATOM 383 CG1 ILE A 29 -0.002 3.763 4.549 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.602 3.816 6.480 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.243 2.273 4.632 1.00 0.00 C ATOM 0 H ILE A 29 -1.692 5.684 4.064 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.669 6.372 6.722 1.00 0.00 H new ATOM 0 HB ILE A 29 0.494 4.197 6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.826 3.950 3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.881 4.245 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.490 2.737 6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.794 4.256 7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.438 4.032 5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.467 1.885 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.086 2.079 5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.647 1.779 5.022 1.00 0.00 H new ATOM 396 N SER A 30 1.930 6.274 5.937 1.00 0.00 N ATOM 397 CA SER A 30 3.242 6.763 5.529 1.00 0.00 C ATOM 398 C SER A 30 4.063 5.647 4.889 1.00 0.00 C ATOM 399 O SER A 30 3.762 4.465 5.058 1.00 0.00 O ATOM 400 CB SER A 30 3.992 7.336 6.733 1.00 0.00 C ATOM 401 OG SER A 30 5.362 7.539 6.431 1.00 0.00 O ATOM 0 H SER A 30 1.927 5.758 6.817 1.00 0.00 H new ATOM 0 HA SER A 30 3.095 7.552 4.791 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.538 8.281 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.900 6.656 7.580 1.00 0.00 H new ATOM 0 HG SER A 30 5.819 7.907 7.216 1.00 0.00 H new ATOM 406 N PHE A 31 5.101 6.031 4.154 1.00 0.00 N ATOM 407 CA PHE A 31 5.965 5.064 3.487 1.00 0.00 C ATOM 408 C PHE A 31 6.361 3.940 4.440 1.00 0.00 C ATOM 409 O PHE A 31 6.140 2.764 4.154 1.00 0.00 O ATOM 410 CB PHE A 31 7.218 5.757 2.947 1.00 0.00 C ATOM 411 CG PHE A 31 7.057 6.284 1.550 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.651 7.590 1.331 1.00 0.00 C ATOM 413 CD2 PHE A 31 7.312 5.473 0.456 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.504 8.079 0.046 1.00 0.00 C ATOM 415 CE2 PHE A 31 7.165 5.956 -0.831 1.00 0.00 C ATOM 416 CZ PHE A 31 6.759 7.260 -1.035 1.00 0.00 C ATOM 0 H PHE A 31 5.364 7.005 4.005 1.00 0.00 H new ATOM 0 HA PHE A 31 5.410 4.631 2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.481 6.581 3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.050 5.053 2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.447 8.234 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.629 4.452 0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.190 9.100 -0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.367 5.314 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.641 7.639 -2.040 1.00 0.00 H new ATOM 425 N ASN A 32 6.947 4.313 5.572 1.00 0.00 N ATOM 426 CA ASN A 32 7.376 3.336 6.568 1.00 0.00 C ATOM 427 C ASN A 32 6.223 2.417 6.960 1.00 0.00 C ATOM 428 O ASN A 32 6.378 1.197 7.007 1.00 0.00 O ATOM 429 CB ASN A 32 7.920 4.047 7.808 1.00 0.00 C ATOM 430 CG ASN A 32 9.092 4.955 7.487 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.490 5.087 6.330 1.00 0.00 O ATOM 432 ND2 ASN A 32 9.652 5.584 8.514 1.00 0.00 N ATOM 0 H ASN A 32 7.136 5.283 5.824 1.00 0.00 H new ATOM 0 HA ASN A 32 8.168 2.729 6.128 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.124 4.634 8.265 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.230 3.304 8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.445 6.206 8.360 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.289 5.445 9.457 1.00 0.00 H new ATOM 438 N GLU A 33 5.067 3.012 7.239 1.00 0.00 N ATOM 439 CA GLU A 33 3.889 2.246 7.627 1.00 0.00 C ATOM 440 C GLU A 33 3.476 1.285 6.516 1.00 0.00 C ATOM 441 O GLU A 33 3.080 0.148 6.779 1.00 0.00 O ATOM 442 CB GLU A 33 2.728 3.187 7.960 1.00 0.00 C ATOM 443 CG GLU A 33 3.058 4.200 9.043 1.00 0.00 C ATOM 444 CD GLU A 33 4.189 3.742 9.944 1.00 0.00 C ATOM 445 OE1 GLU A 33 3.929 2.922 10.851 1.00 0.00 O ATOM 446 OE2 GLU A 33 5.332 4.204 9.746 1.00 0.00 O ATOM 0 H GLU A 33 4.922 4.021 7.203 1.00 0.00 H new ATOM 0 HA GLU A 33 4.141 1.664 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.431 3.718 7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.870 2.594 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.330 5.148 8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.169 4.384 9.647 1.00 0.00 H new ATOM 451 N LEU A 34 3.569 1.748 5.275 1.00 0.00 N ATOM 452 CA LEU A 34 3.205 0.930 4.123 1.00 0.00 C ATOM 453 C LEU A 34 3.990 -0.377 4.113 1.00 0.00 C ATOM 454 O LEU A 34 3.413 -1.460 4.187 1.00 0.00 O ATOM 455 CB LEU A 34 3.457 1.700 2.826 1.00 0.00 C ATOM 456 CG LEU A 34 3.680 0.852 1.573 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.374 0.216 1.121 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.278 1.695 0.458 1.00 0.00 C ATOM 0 H LEU A 34 3.894 2.686 5.040 1.00 0.00 H new ATOM 0 HA LEU A 34 2.144 0.694 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.607 2.359 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.330 2.337 2.969 1.00 0.00 H new ATOM 0 HG LEU A 34 4.384 0.056 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.551 -0.384 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.986 -0.422 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.648 0.997 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.430 1.075 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.599 2.512 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.235 2.103 0.784 1.00 0.00 H new ATOM 469 N ASN A 35 5.312 -0.266 4.021 1.00 0.00 N ATOM 470 CA ASN A 35 6.178 -1.439 4.003 1.00 0.00 C ATOM 471 C ASN A 35 5.853 -2.373 5.165 1.00 0.00 C ATOM 472 O ASN A 35 5.719 -3.583 4.983 1.00 0.00 O ATOM 473 CB ASN A 35 7.647 -1.016 4.070 1.00 0.00 C ATOM 474 CG ASN A 35 8.594 -2.185 3.881 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.544 -3.166 4.622 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.466 -2.085 2.883 1.00 0.00 N ATOM 0 H ASN A 35 5.806 0.624 3.958 1.00 0.00 H new ATOM 0 HA ASN A 35 6.003 -1.974 3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.842 -0.266 3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.843 -0.545 5.033 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.129 -2.840 2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.472 -1.253 2.293 1.00 0.00 H new ATOM 482 N ASP A 36 5.727 -1.803 6.358 1.00 0.00 N ATOM 483 CA ASP A 36 5.417 -2.583 7.550 1.00 0.00 C ATOM 484 C ASP A 36 4.061 -3.268 7.412 1.00 0.00 C ATOM 485 O ASP A 36 3.871 -4.391 7.884 1.00 0.00 O ATOM 486 CB ASP A 36 5.426 -1.687 8.789 1.00 0.00 C ATOM 487 CG ASP A 36 6.810 -1.163 9.116 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.741 -1.408 8.319 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.964 -0.508 10.168 1.00 0.00 O ATOM 0 H ASP A 36 5.835 -0.803 6.525 1.00 0.00 H new ATOM 0 HA ASP A 36 6.183 -3.351 7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.751 -0.846 8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.042 -2.247 9.642 1.00 0.00 H new ATOM 493 N LEU A 37 3.122 -2.586 6.766 1.00 0.00 N ATOM 494 CA LEU A 37 1.783 -3.129 6.567 1.00 0.00 C ATOM 495 C LEU A 37 1.815 -4.329 5.625 1.00 0.00 C ATOM 496 O LEU A 37 1.067 -5.290 5.801 1.00 0.00 O ATOM 497 CB LEU A 37 0.853 -2.052 6.007 1.00 0.00 C ATOM 498 CG LEU A 37 -0.274 -2.544 5.098 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.182 -3.508 5.847 1.00 0.00 C ATOM 500 CD2 LEU A 37 -1.073 -1.369 4.554 1.00 0.00 C ATOM 0 H LEU A 37 3.263 -1.656 6.371 1.00 0.00 H new ATOM 0 HA LEU A 37 1.405 -3.460 7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.409 -1.513 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.455 -1.334 5.450 1.00 0.00 H new ATOM 0 HG LEU A 37 0.170 -3.075 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.978 -3.847 5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.601 -4.366 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.618 -3.002 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.870 -1.739 3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.506 -0.809 5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.415 -0.716 3.980 1.00 0.00 H new ATOM 511 N PHE A 38 2.690 -4.267 4.626 1.00 0.00 N ATOM 512 CA PHE A 38 2.823 -5.348 3.657 1.00 0.00 C ATOM 513 C PHE A 38 3.288 -6.633 4.336 1.00 0.00 C ATOM 514 O PHE A 38 2.730 -7.707 4.109 1.00 0.00 O ATOM 515 CB PHE A 38 3.806 -4.955 2.554 1.00 0.00 C ATOM 516 CG PHE A 38 3.157 -4.754 1.215 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.589 -3.536 0.880 1.00 0.00 C ATOM 518 CD2 PHE A 38 3.113 -5.786 0.290 1.00 0.00 C ATOM 519 CE1 PHE A 38 1.991 -3.348 -0.351 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.518 -5.604 -0.944 1.00 0.00 C ATOM 521 CZ PHE A 38 1.954 -4.384 -1.264 1.00 0.00 C ATOM 0 H PHE A 38 3.318 -3.479 4.467 1.00 0.00 H new ATOM 0 HA PHE A 38 1.844 -5.527 3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.315 -4.036 2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.569 -5.728 2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.614 -2.723 1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.549 -6.743 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.553 -2.392 -0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.494 -6.414 -1.657 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.485 -4.241 -2.226 1.00 0.00 H new ATOM 530 N LYS A 39 4.316 -6.515 5.171 1.00 0.00 N ATOM 531 CA LYS A 39 4.858 -7.666 5.884 1.00 0.00 C ATOM 532 C LYS A 39 3.967 -8.045 7.061 1.00 0.00 C ATOM 533 O LYS A 39 3.866 -9.217 7.423 1.00 0.00 O ATOM 534 CB LYS A 39 6.274 -7.363 6.379 1.00 0.00 C ATOM 535 CG LYS A 39 7.175 -6.758 5.315 1.00 0.00 C ATOM 536 CD LYS A 39 8.639 -7.051 5.594 1.00 0.00 C ATOM 537 CE LYS A 39 8.962 -8.524 5.393 1.00 0.00 C ATOM 538 NZ LYS A 39 10.371 -8.730 4.960 1.00 0.00 N ATOM 0 H LYS A 39 4.790 -5.634 5.370 1.00 0.00 H new ATOM 0 HA LYS A 39 4.893 -8.508 5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.215 -6.679 7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.727 -8.284 6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.903 -7.156 4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.020 -5.680 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.264 -6.448 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.881 -6.761 6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.785 -9.064 6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.288 -8.945 4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.550 -9.747 4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.533 -8.236 4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.015 -8.352 5.683 1.00 0.00 H new ATOM 548 N ALA A 40 3.319 -7.047 7.655 1.00 0.00 N ATOM 549 CA ALA A 40 2.434 -7.277 8.788 1.00 0.00 C ATOM 550 C ALA A 40 1.143 -7.959 8.348 1.00 0.00 C ATOM 551 O ALA A 40 0.513 -8.677 9.124 1.00 0.00 O ATOM 552 CB ALA A 40 2.124 -5.964 9.492 1.00 0.00 C ATOM 0 H ALA A 40 3.392 -6.071 7.369 1.00 0.00 H new ATOM 0 HA ALA A 40 2.945 -7.940 9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.461 -6.152 10.337 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.051 -5.516 9.850 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.638 -5.283 8.794 1.00 0.00 H new ATOM 558 N ALA A 41 0.756 -7.731 7.097 1.00 0.00 N ATOM 559 CA ALA A 41 -0.459 -8.325 6.553 1.00 0.00 C ATOM 560 C ALA A 41 -0.179 -9.704 5.963 1.00 0.00 C ATOM 561 O ALA A 41 -1.025 -10.278 5.276 1.00 0.00 O ATOM 562 CB ALA A 41 -1.067 -7.411 5.499 1.00 0.00 C ATOM 0 H ALA A 41 1.266 -7.139 6.441 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.172 -8.445 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.974 -7.867 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.312 -6.449 5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.351 -7.261 4.691 1.00 0.00 H new ATOM 568 N CYS A 42 1.011 -10.227 6.234 1.00 0.00 N ATOM 569 CA CYS A 42 1.402 -11.538 5.728 1.00 0.00 C ATOM 570 C CYS A 42 1.136 -11.645 4.230 1.00 0.00 C ATOM 571 O CYS A 42 0.475 -12.577 3.771 1.00 0.00 O ATOM 572 CB CYS A 42 0.648 -12.641 6.473 1.00 0.00 C ATOM 573 SG CYS A 42 1.332 -13.037 8.099 1.00 0.00 S ATOM 0 H CYS A 42 1.722 -9.764 6.801 1.00 0.00 H new ATOM 0 HA CYS A 42 2.472 -11.661 5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.392 -12.338 6.593 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.649 -13.543 5.861 1.00 0.00 H new ATOM 0 HG CYS A 42 0.625 -13.978 8.650 1.00 0.00 H new ATOM 578 N LEU A 43 1.654 -10.684 3.473 1.00 0.00 N ATOM 579 CA LEU A 43 1.472 -10.668 2.026 1.00 0.00 C ATOM 580 C LEU A 43 2.519 -11.535 1.336 1.00 0.00 C ATOM 581 O LEU A 43 3.568 -11.852 1.899 1.00 0.00 O ATOM 582 CB LEU A 43 1.551 -9.235 1.498 1.00 0.00 C ATOM 583 CG LEU A 43 0.228 -8.468 1.436 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.759 -9.025 2.450 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.461 -6.984 1.676 1.00 0.00 C ATOM 0 H LEU A 43 2.203 -9.906 3.837 1.00 0.00 H new ATOM 0 HA LEU A 43 0.486 -11.076 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.243 -8.675 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.980 -9.261 0.496 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.196 -8.593 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.694 -8.468 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.949 -10.076 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.342 -8.931 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.490 -6.454 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.908 -6.840 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.133 -6.593 0.912 1.00 0.00 H new ATOM 596 N PRO A 44 2.234 -11.927 0.085 1.00 0.00 N ATOM 597 CA PRO A 44 3.140 -12.759 -0.710 1.00 0.00 C ATOM 598 C PRO A 44 4.400 -12.010 -1.128 1.00 0.00 C ATOM 599 O PRO A 44 5.514 -12.509 -0.971 1.00 0.00 O ATOM 600 CB PRO A 44 2.302 -13.124 -1.938 1.00 0.00 C ATOM 601 CG PRO A 44 1.304 -12.024 -2.056 1.00 0.00 C ATOM 602 CD PRO A 44 1.003 -11.586 -0.649 1.00 0.00 C ATOM 0 HA PRO A 44 3.497 -13.623 -0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.921 -13.195 -2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.813 -14.090 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.702 -11.198 -2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.401 -12.369 -2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.787 -10.519 -0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.136 -12.107 -0.243 1.00 0.00 H new ATOM 607 N LEU A 45 4.216 -10.806 -1.661 1.00 0.00 N ATOM 608 CA LEU A 45 5.339 -9.985 -2.102 1.00 0.00 C ATOM 609 C LEU A 45 6.396 -9.875 -1.009 1.00 0.00 C ATOM 610 O LEU A 45 6.087 -9.731 0.174 1.00 0.00 O ATOM 611 CB LEU A 45 4.852 -8.591 -2.499 1.00 0.00 C ATOM 612 CG LEU A 45 3.880 -8.530 -3.678 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.185 -7.328 -4.559 1.00 0.00 C ATOM 614 CD2 LEU A 45 3.944 -9.816 -4.489 1.00 0.00 C ATOM 0 H LEU A 45 3.301 -10.377 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 45 5.790 -10.466 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.371 -8.136 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.721 -7.979 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 45 2.869 -8.421 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.484 -7.301 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.088 -6.414 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.202 -7.407 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.246 -9.755 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.955 -9.955 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.677 -10.660 -3.854 1.00 0.00 H new ATOM 625 N PRO A 46 7.673 -9.943 -1.410 1.00 0.00 N ATOM 626 CA PRO A 46 8.803 -9.849 -0.479 1.00 0.00 C ATOM 627 C PRO A 46 8.958 -8.450 0.106 1.00 0.00 C ATOM 628 O PRO A 46 8.091 -7.594 -0.068 1.00 0.00 O ATOM 629 CB PRO A 46 10.010 -10.202 -1.351 1.00 0.00 C ATOM 630 CG PRO A 46 9.594 -9.849 -2.737 1.00 0.00 C ATOM 631 CD PRO A 46 8.115 -10.114 -2.805 1.00 0.00 C ATOM 0 HA PRO A 46 8.677 -10.504 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.894 -9.641 -1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.260 -11.260 -1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.814 -8.804 -2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.132 -10.449 -3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.612 -9.416 -3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.903 -11.118 -3.173 1.00 0.00 H new ATOM 636 N GLY A 47 10.069 -8.223 0.800 1.00 0.00 N ATOM 637 CA GLY A 47 10.316 -6.925 1.400 1.00 0.00 C ATOM 638 C GLY A 47 10.855 -5.919 0.401 1.00 0.00 C ATOM 639 O GLY A 47 10.467 -4.750 0.417 1.00 0.00 O ATOM 0 H GLY A 47 10.802 -8.915 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.390 -6.545 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.026 -7.036 2.219 1.00 0.00 H new ATOM 643 N TYR A 48 11.752 -6.371 -0.468 1.00 0.00 N ATOM 644 CA TYR A 48 12.347 -5.501 -1.474 1.00 0.00 C ATOM 645 C TYR A 48 11.309 -5.070 -2.506 1.00 0.00 C ATOM 646 O TYR A 48 11.337 -3.943 -2.999 1.00 0.00 O ATOM 647 CB TYR A 48 13.509 -6.212 -2.170 1.00 0.00 C ATOM 648 CG TYR A 48 13.080 -7.395 -3.010 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.650 -7.223 -4.320 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.104 -8.683 -2.492 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.257 -8.300 -5.090 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.713 -9.767 -3.255 1.00 0.00 C ATOM 653 CZ TYR A 48 12.291 -9.570 -4.553 1.00 0.00 C ATOM 654 OH TYR A 48 11.899 -10.646 -5.317 1.00 0.00 O ATOM 0 H TYR A 48 12.083 -7.335 -0.496 1.00 0.00 H new ATOM 0 HA TYR A 48 12.723 -4.610 -0.970 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.033 -5.498 -2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.220 -6.551 -1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.623 -6.230 -4.743 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.434 -8.840 -1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.925 -8.149 -6.107 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.738 -10.763 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 48 11.984 -11.469 -4.791 1.00 0.00 H new ATOM 663 N ARG A 49 10.391 -5.978 -2.827 1.00 0.00 N ATOM 664 CA ARG A 49 9.343 -5.694 -3.798 1.00 0.00 C ATOM 665 C ARG A 49 8.544 -4.459 -3.392 1.00 0.00 C ATOM 666 O ARG A 49 8.314 -3.561 -4.202 1.00 0.00 O ATOM 667 CB ARG A 49 8.409 -6.897 -3.938 1.00 0.00 C ATOM 668 CG ARG A 49 8.724 -7.778 -5.137 1.00 0.00 C ATOM 669 CD ARG A 49 7.607 -7.737 -6.168 1.00 0.00 C ATOM 670 NE ARG A 49 7.103 -9.072 -6.482 1.00 0.00 N ATOM 671 CZ ARG A 49 6.359 -9.345 -7.548 1.00 0.00 C ATOM 672 NH1 ARG A 49 6.033 -8.380 -8.397 1.00 0.00 N ATOM 673 NH2 ARG A 49 5.940 -10.585 -7.766 1.00 0.00 N ATOM 0 H ARG A 49 10.353 -6.916 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 49 9.817 -5.497 -4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.467 -7.499 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.382 -6.541 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.656 -7.450 -5.596 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.877 -8.805 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.790 -7.120 -5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.972 -7.264 -7.079 1.00 0.00 H new ATOM 0 HE ARG A 49 7.335 -9.836 -5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.354 -7.426 -8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.462 -8.592 -9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.189 -11.329 -7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.369 -10.794 -8.585 1.00 0.00 H new ATOM 684 N VAL A 50 8.121 -4.423 -2.132 1.00 0.00 N ATOM 685 CA VAL A 50 7.348 -3.300 -1.617 1.00 0.00 C ATOM 686 C VAL A 50 8.171 -2.016 -1.626 1.00 0.00 C ATOM 687 O VAL A 50 7.783 -1.023 -2.241 1.00 0.00 O ATOM 688 CB VAL A 50 6.852 -3.569 -0.184 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.931 -2.453 0.282 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.151 -4.917 -0.108 1.00 0.00 C ATOM 0 H VAL A 50 8.301 -5.159 -1.449 1.00 0.00 H new ATOM 0 HA VAL A 50 6.487 -3.181 -2.275 1.00 0.00 H new ATOM 0 HB VAL A 50 7.715 -3.595 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.591 -2.661 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.471 -1.506 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.070 -2.390 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.807 -5.091 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.297 -4.922 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.846 -5.705 -0.396 1.00 0.00 H new ATOM 700 N ARG A 51 9.309 -2.045 -0.940 1.00 0.00 N ATOM 701 CA ARG A 51 10.186 -0.884 -0.867 1.00 0.00 C ATOM 702 C ARG A 51 10.544 -0.384 -2.265 1.00 0.00 C ATOM 703 O ARG A 51 10.608 0.821 -2.506 1.00 0.00 O ATOM 704 CB ARG A 51 11.462 -1.229 -0.097 1.00 0.00 C ATOM 705 CG ARG A 51 12.379 -0.038 0.129 1.00 0.00 C ATOM 706 CD ARG A 51 13.765 -0.284 -0.447 1.00 0.00 C ATOM 707 NE ARG A 51 14.813 -0.100 0.553 1.00 0.00 N ATOM 708 CZ ARG A 51 16.103 -0.305 0.311 1.00 0.00 C ATOM 709 NH1 ARG A 51 16.501 -0.696 -0.892 1.00 0.00 N ATOM 710 NH2 ARG A 51 16.998 -0.117 1.272 1.00 0.00 N ATOM 0 H ARG A 51 9.645 -2.860 -0.427 1.00 0.00 H new ATOM 0 HA ARG A 51 9.654 -0.092 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.189 -1.655 0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.008 -1.999 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.945 0.849 -0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.458 0.164 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.818 -1.297 -0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.937 0.396 -1.282 1.00 0.00 H new ATOM 0 HE ARG A 51 14.540 0.202 1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.816 -0.840 -1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.492 -0.853 -1.075 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.696 0.185 2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.988 -0.275 1.085 1.00 0.00 H new ATOM 721 N GLU A 52 10.775 -1.320 -3.180 1.00 0.00 N ATOM 722 CA GLU A 52 11.128 -0.974 -4.552 1.00 0.00 C ATOM 723 C GLU A 52 9.948 -0.324 -5.269 1.00 0.00 C ATOM 724 O GLU A 52 10.079 0.752 -5.853 1.00 0.00 O ATOM 725 CB GLU A 52 11.578 -2.220 -5.317 1.00 0.00 C ATOM 726 CG GLU A 52 12.206 -1.913 -6.666 1.00 0.00 C ATOM 727 CD GLU A 52 13.353 -0.927 -6.565 1.00 0.00 C ATOM 728 OE1 GLU A 52 13.209 0.203 -7.077 1.00 0.00 O ATOM 729 OE2 GLU A 52 14.394 -1.285 -5.975 1.00 0.00 O ATOM 0 H GLU A 52 10.724 -2.322 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 52 11.951 -0.260 -4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.296 -2.770 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.719 -2.874 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.566 -2.839 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.444 -1.511 -7.334 1.00 0.00 H new ATOM 734 N ILE A 53 8.796 -0.985 -5.222 1.00 0.00 N ATOM 735 CA ILE A 53 7.593 -0.473 -5.866 1.00 0.00 C ATOM 736 C ILE A 53 7.337 0.979 -5.475 1.00 0.00 C ATOM 737 O ILE A 53 6.867 1.778 -6.286 1.00 0.00 O ATOM 738 CB ILE A 53 6.357 -1.316 -5.502 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.437 -2.691 -6.168 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.083 -0.594 -5.915 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.701 -3.773 -5.410 1.00 0.00 C ATOM 0 H ILE A 53 8.671 -1.877 -4.744 1.00 0.00 H new ATOM 0 HA ILE A 53 7.760 -0.534 -6.941 1.00 0.00 H new ATOM 0 HB ILE A 53 6.337 -1.457 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.028 -2.622 -7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.484 -2.977 -6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.218 -1.203 -5.651 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.024 0.364 -5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.093 -0.425 -6.992 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.800 -4.720 -5.940 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.125 -3.870 -4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.646 -3.510 -5.332 1.00 0.00 H new ATOM 752 N THR A 54 7.651 1.315 -4.227 1.00 0.00 N ATOM 753 CA THR A 54 7.456 2.670 -3.729 1.00 0.00 C ATOM 754 C THR A 54 8.506 3.620 -4.294 1.00 0.00 C ATOM 755 O THR A 54 8.173 4.645 -4.888 1.00 0.00 O ATOM 756 CB THR A 54 7.512 2.717 -2.190 1.00 0.00 C ATOM 757 OG1 THR A 54 7.980 1.464 -1.679 1.00 0.00 O ATOM 758 CG2 THR A 54 6.142 3.028 -1.608 1.00 0.00 C ATOM 0 H THR A 54 8.041 0.666 -3.543 1.00 0.00 H new ATOM 0 HA THR A 54 6.467 2.988 -4.059 1.00 0.00 H new ATOM 0 HB THR A 54 8.201 3.509 -1.897 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.373 0.748 -1.961 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.207 3.056 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.801 3.996 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.435 2.256 -1.910 1.00 0.00 H new ATOM 766 N GLU A 55 9.775 3.272 -4.103 1.00 0.00 N ATOM 767 CA GLU A 55 10.874 4.096 -4.594 1.00 0.00 C ATOM 768 C GLU A 55 10.685 4.429 -6.071 1.00 0.00 C ATOM 769 O GLU A 55 11.068 5.506 -6.529 1.00 0.00 O ATOM 770 CB GLU A 55 12.210 3.379 -4.388 1.00 0.00 C ATOM 771 CG GLU A 55 13.143 4.097 -3.429 1.00 0.00 C ATOM 772 CD GLU A 55 14.512 4.355 -4.029 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.924 5.533 -4.077 1.00 0.00 O ATOM 774 OE2 GLU A 55 15.169 3.381 -4.451 1.00 0.00 O ATOM 0 H GLU A 55 10.067 2.427 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 55 10.879 5.027 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.019 2.374 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.707 3.270 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.695 5.046 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.254 3.502 -2.522 1.00 0.00 H new ATOM 779 N ASN A 56 10.095 3.497 -6.812 1.00 0.00 N ATOM 780 CA ASN A 56 9.856 3.691 -8.238 1.00 0.00 C ATOM 781 C ASN A 56 8.531 4.407 -8.476 1.00 0.00 C ATOM 782 O ASN A 56 8.378 5.148 -9.448 1.00 0.00 O ATOM 783 CB ASN A 56 9.859 2.344 -8.964 1.00 0.00 C ATOM 784 CG ASN A 56 9.841 2.500 -10.472 1.00 0.00 C ATOM 785 OD1 ASN A 56 10.713 3.148 -11.051 1.00 0.00 O ATOM 786 ND2 ASN A 56 8.843 1.906 -11.116 1.00 0.00 N ATOM 0 H ASN A 56 9.773 2.600 -6.449 1.00 0.00 H new ATOM 0 HA ASN A 56 10.659 4.312 -8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.743 1.778 -8.671 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.991 1.764 -8.651 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.777 1.977 -12.131 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.142 1.379 -10.595 1.00 0.00 H new ATOM 792 N LEU A 57 7.574 4.181 -7.582 1.00 0.00 N ATOM 793 CA LEU A 57 6.261 4.805 -7.693 1.00 0.00 C ATOM 794 C LEU A 57 6.370 6.324 -7.606 1.00 0.00 C ATOM 795 O LEU A 57 6.076 7.034 -8.569 1.00 0.00 O ATOM 796 CB LEU A 57 5.332 4.286 -6.594 1.00 0.00 C ATOM 797 CG LEU A 57 4.334 3.206 -7.013 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.413 2.853 -5.854 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.526 3.666 -8.217 1.00 0.00 C ATOM 0 H LEU A 57 7.683 3.570 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 57 5.844 4.544 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.945 3.891 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.774 5.130 -6.189 1.00 0.00 H new ATOM 0 HG LEU A 57 4.891 2.312 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.709 2.083 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.006 2.482 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.863 3.741 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.821 2.885 -8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.979 4.574 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.198 3.869 -9.050 1.00 0.00 H new ATOM 810 N MET A 58 6.796 6.817 -6.448 1.00 0.00 N ATOM 811 CA MET A 58 6.948 8.252 -6.238 1.00 0.00 C ATOM 812 C MET A 58 8.026 8.824 -7.152 1.00 0.00 C ATOM 813 O MET A 58 8.145 10.040 -7.300 1.00 0.00 O ATOM 814 CB MET A 58 7.297 8.540 -4.776 1.00 0.00 C ATOM 815 CG MET A 58 8.288 7.552 -4.181 1.00 0.00 C ATOM 816 SD MET A 58 9.713 8.364 -3.432 1.00 0.00 S ATOM 817 CE MET A 58 9.798 7.513 -1.858 1.00 0.00 C ATOM 0 H MET A 58 7.042 6.244 -5.641 1.00 0.00 H new ATOM 0 HA MET A 58 6.000 8.732 -6.480 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.710 9.546 -4.701 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.382 8.526 -4.183 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.783 6.946 -3.429 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.631 6.872 -4.961 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.837 7.445 -1.537 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.224 8.065 -1.114 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.385 6.510 -1.964 1.00 0.00 H new ATOM 825 N ALA A 59 8.808 7.940 -7.764 1.00 0.00 N ATOM 826 CA ALA A 59 9.874 8.359 -8.666 1.00 0.00 C ATOM 827 C ALA A 59 9.372 9.393 -9.667 1.00 0.00 C ATOM 828 O ALA A 59 10.148 10.192 -10.193 1.00 0.00 O ATOM 829 CB ALA A 59 10.453 7.155 -9.392 1.00 0.00 C ATOM 0 H ALA A 59 8.723 6.930 -7.651 1.00 0.00 H new ATOM 0 HA ALA A 59 10.660 8.823 -8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.248 7.482 -10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.858 6.452 -8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.669 6.667 -9.970 1.00 0.00 H new ATOM 835 N THR A 60 8.068 9.372 -9.929 1.00 0.00 N ATOM 836 CA THR A 60 7.463 10.307 -10.870 1.00 0.00 C ATOM 837 C THR A 60 6.341 11.100 -10.211 1.00 0.00 C ATOM 838 O THR A 60 5.224 11.160 -10.724 1.00 0.00 O ATOM 839 CB THR A 60 6.903 9.576 -12.105 1.00 0.00 C ATOM 840 OG1 THR A 60 6.312 8.333 -11.713 1.00 0.00 O ATOM 841 CG2 THR A 60 8.001 9.322 -13.126 1.00 0.00 C ATOM 0 H THR A 60 7.411 8.718 -9.503 1.00 0.00 H new ATOM 0 HA THR A 60 8.250 10.991 -11.187 1.00 0.00 H new ATOM 0 HB THR A 60 6.143 10.210 -12.562 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.553 8.505 -11.118 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.582 8.805 -13.989 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.429 10.273 -13.445 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.780 8.706 -12.677 1.00 0.00 H new ATOM 849 N GLY A 61 6.645 11.710 -9.069 1.00 0.00 N ATOM 850 CA GLY A 61 5.650 12.494 -8.359 1.00 0.00 C ATOM 851 C GLY A 61 4.349 11.741 -8.167 1.00 0.00 C ATOM 852 O GLY A 61 3.273 12.262 -8.464 1.00 0.00 O ATOM 0 H GLY A 61 7.562 11.675 -8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.046 12.783 -7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.456 13.414 -8.910 1.00 0.00 H new ATOM 856 N ASP A 62 4.445 10.512 -7.673 1.00 0.00 N ATOM 857 CA ASP A 62 3.265 9.686 -7.443 1.00 0.00 C ATOM 858 C ASP A 62 2.811 9.779 -5.989 1.00 0.00 C ATOM 859 O ASP A 62 1.649 10.076 -5.708 1.00 0.00 O ATOM 860 CB ASP A 62 3.557 8.230 -7.807 1.00 0.00 C ATOM 861 CG ASP A 62 3.555 7.996 -9.305 1.00 0.00 C ATOM 862 OD1 ASP A 62 2.949 6.999 -9.749 1.00 0.00 O ATOM 863 OD2 ASP A 62 4.160 8.811 -10.033 1.00 0.00 O ATOM 0 H ASP A 62 5.328 10.065 -7.424 1.00 0.00 H new ATOM 0 HA ASP A 62 2.462 10.058 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.526 7.944 -7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.812 7.585 -7.341 1.00 0.00 H new ATOM 867 N LEU A 63 3.735 9.522 -5.070 1.00 0.00 N ATOM 868 CA LEU A 63 3.431 9.576 -3.644 1.00 0.00 C ATOM 869 C LEU A 63 3.856 10.913 -3.045 1.00 0.00 C ATOM 870 O LEU A 63 3.412 11.289 -1.961 1.00 0.00 O ATOM 871 CB LEU A 63 4.128 8.429 -2.910 1.00 0.00 C ATOM 872 CG LEU A 63 3.817 7.021 -3.414 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.470 7.049 -4.895 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.995 6.090 -3.160 1.00 0.00 C ATOM 0 H LEU A 63 4.701 9.274 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 63 2.352 9.473 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.205 8.586 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.859 8.483 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 63 2.955 6.642 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.251 6.037 -5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.596 7.682 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.313 7.448 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.755 5.092 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.875 6.466 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.199 6.045 -2.090 1.00 0.00 H new ATOM 885 N ASP A 64 4.718 11.628 -3.761 1.00 0.00 N ATOM 886 CA ASP A 64 5.201 12.924 -3.303 1.00 0.00 C ATOM 887 C ASP A 64 4.085 13.964 -3.336 1.00 0.00 C ATOM 888 O ASP A 64 4.172 15.003 -2.682 1.00 0.00 O ATOM 889 CB ASP A 64 6.374 13.390 -4.167 1.00 0.00 C ATOM 890 CG ASP A 64 7.396 14.183 -3.378 1.00 0.00 C ATOM 891 OD1 ASP A 64 7.876 13.671 -2.344 1.00 0.00 O ATOM 892 OD2 ASP A 64 7.718 15.316 -3.793 1.00 0.00 O ATOM 0 H ASP A 64 5.096 11.331 -4.661 1.00 0.00 H new ATOM 0 HA ASP A 64 5.540 12.813 -2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.859 12.522 -4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.997 14.002 -4.986 1.00 0.00 H new ATOM 896 N GLN A 65 3.039 13.676 -4.102 1.00 0.00 N ATOM 897 CA GLN A 65 1.905 14.586 -4.222 1.00 0.00 C ATOM 898 C GLN A 65 1.405 15.015 -2.847 1.00 0.00 C ATOM 899 O GLN A 65 1.008 16.164 -2.650 1.00 0.00 O ATOM 900 CB GLN A 65 0.773 13.924 -5.008 1.00 0.00 C ATOM 901 CG GLN A 65 -0.019 12.912 -4.196 1.00 0.00 C ATOM 902 CD GLN A 65 -1.196 12.341 -4.962 1.00 0.00 C ATOM 903 OE1 GLN A 65 -1.283 12.479 -6.183 1.00 0.00 O ATOM 904 NE2 GLN A 65 -2.111 11.694 -4.249 1.00 0.00 N ATOM 0 H GLN A 65 2.952 12.820 -4.649 1.00 0.00 H new ATOM 0 HA GLN A 65 2.238 15.474 -4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.095 14.696 -5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.191 13.428 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.641 12.099 -3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.380 13.387 -3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.000 11.603 -3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.925 11.288 -4.711 1.00 0.00 H new ATOM 911 N ASP A 66 1.426 14.085 -1.899 1.00 0.00 N ATOM 912 CA ASP A 66 0.973 14.367 -0.541 1.00 0.00 C ATOM 913 C ASP A 66 1.989 13.870 0.484 1.00 0.00 C ATOM 914 O ASP A 66 1.828 14.082 1.685 1.00 0.00 O ATOM 915 CB ASP A 66 -0.386 13.714 -0.288 1.00 0.00 C ATOM 916 CG ASP A 66 -1.362 14.654 0.392 1.00 0.00 C ATOM 917 OD1 ASP A 66 -1.764 14.367 1.538 1.00 0.00 O ATOM 918 OD2 ASP A 66 -1.723 15.679 -0.224 1.00 0.00 O ATOM 0 H ASP A 66 1.752 13.129 -2.045 1.00 0.00 H new ATOM 0 HA ASP A 66 0.873 15.447 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.808 13.381 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.250 12.827 0.330 1.00 0.00 H new ATOM 922 N GLY A 67 3.035 13.207 -0.001 1.00 0.00 N ATOM 923 CA GLY A 67 4.060 12.690 0.886 1.00 0.00 C ATOM 924 C GLY A 67 3.589 11.487 1.679 1.00 0.00 C ATOM 925 O GLY A 67 4.296 11.000 2.561 1.00 0.00 O ATOM 0 H GLY A 67 3.190 13.019 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.937 12.414 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.370 13.476 1.574 1.00 0.00 H new ATOM 929 N ARG A 68 2.389 11.008 1.366 1.00 0.00 N ATOM 930 CA ARG A 68 1.823 9.856 2.058 1.00 0.00 C ATOM 931 C ARG A 68 1.360 8.796 1.061 1.00 0.00 C ATOM 932 O ARG A 68 1.663 8.877 -0.130 1.00 0.00 O ATOM 933 CB ARG A 68 0.648 10.289 2.938 1.00 0.00 C ATOM 934 CG ARG A 68 0.899 11.586 3.691 1.00 0.00 C ATOM 935 CD ARG A 68 2.181 11.519 4.504 1.00 0.00 C ATOM 936 NE ARG A 68 1.989 11.998 5.870 1.00 0.00 N ATOM 937 CZ ARG A 68 2.977 12.136 6.747 1.00 0.00 C ATOM 938 NH1 ARG A 68 4.221 11.833 6.402 1.00 0.00 N ATOM 939 NH2 ARG A 68 2.723 12.579 7.972 1.00 0.00 N ATOM 0 H ARG A 68 1.791 11.399 0.639 1.00 0.00 H new ATOM 0 HA ARG A 68 2.601 9.424 2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.239 10.406 2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.431 9.498 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.958 12.413 2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.058 11.792 4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.542 10.491 4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.951 12.116 4.016 1.00 0.00 H new ATOM 0 HE ARG A 68 1.044 12.240 6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.421 11.493 5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.978 11.940 7.077 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.768 12.814 8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.483 12.684 8.644 1.00 0.00 H new ATOM 950 N ILE A 69 0.627 7.805 1.556 1.00 0.00 N ATOM 951 CA ILE A 69 0.124 6.731 0.710 1.00 0.00 C ATOM 952 C ILE A 69 -1.239 6.246 1.190 1.00 0.00 C ATOM 953 O ILE A 69 -1.349 5.601 2.232 1.00 0.00 O ATOM 954 CB ILE A 69 1.097 5.538 0.676 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.526 6.024 0.424 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.675 4.540 -0.391 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.562 4.924 0.500 1.00 0.00 C ATOM 0 H ILE A 69 0.368 7.724 2.539 1.00 0.00 H new ATOM 0 HA ILE A 69 0.028 7.140 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 69 1.069 5.038 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.574 6.490 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.773 6.795 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.373 3.703 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.328 4.174 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.677 5.027 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.551 5.342 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.542 4.473 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.341 4.163 -0.249 1.00 0.00 H new ATOM 968 N SER A 70 -2.277 6.560 0.420 1.00 0.00 N ATOM 969 CA SER A 70 -3.635 6.157 0.767 1.00 0.00 C ATOM 970 C SER A 70 -3.858 4.678 0.466 1.00 0.00 C ATOM 971 O SER A 70 -3.173 4.094 -0.374 1.00 0.00 O ATOM 972 CB SER A 70 -4.652 7.004 -0.001 1.00 0.00 C ATOM 973 OG SER A 70 -5.226 6.268 -1.068 1.00 0.00 O ATOM 0 H SER A 70 -2.203 7.092 -0.447 1.00 0.00 H new ATOM 0 HA SER A 70 -3.772 6.316 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.437 7.340 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.165 7.897 -0.392 1.00 0.00 H new ATOM 0 HG SER A 70 -5.873 6.830 -1.542 1.00 0.00 H new ATOM 978 N PHE A 71 -4.820 4.079 1.160 1.00 0.00 N ATOM 979 CA PHE A 71 -5.134 2.668 0.969 1.00 0.00 C ATOM 980 C PHE A 71 -5.258 2.334 -0.514 1.00 0.00 C ATOM 981 O PHE A 71 -4.902 1.238 -0.947 1.00 0.00 O ATOM 982 CB PHE A 71 -6.431 2.309 1.696 1.00 0.00 C ATOM 983 CG PHE A 71 -6.645 0.830 1.846 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.581 -0.013 2.122 1.00 0.00 C ATOM 985 CD2 PHE A 71 -7.911 0.283 1.711 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.774 -1.375 2.261 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.111 -1.078 1.849 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.040 -1.908 2.124 1.00 0.00 C ATOM 0 H PHE A 71 -5.395 4.548 1.859 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.317 2.080 1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.423 2.769 2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.273 2.736 1.152 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.588 0.399 2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.751 0.927 1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.936 -2.021 2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.103 -1.492 1.742 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.194 -2.972 2.231 1.00 0.00 H new ATOM 997 N ASP A 72 -5.768 3.285 -1.288 1.00 0.00 N ATOM 998 CA ASP A 72 -5.941 3.094 -2.723 1.00 0.00 C ATOM 999 C ASP A 72 -4.626 2.681 -3.378 1.00 0.00 C ATOM 1000 O ASP A 72 -4.556 1.658 -4.057 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.467 4.376 -3.370 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.733 4.209 -4.853 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -5.758 4.182 -5.633 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -7.917 4.102 -5.235 1.00 0.00 O ATOM 0 H ASP A 72 -6.069 4.197 -0.945 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.668 2.296 -2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.387 4.680 -2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.744 5.178 -3.222 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.589 3.484 -3.169 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.276 3.203 -3.741 1.00 0.00 C ATOM 1010 C GLU A 73 -1.789 1.818 -3.326 1.00 0.00 C ATOM 1011 O GLU A 73 -1.323 1.037 -4.156 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.266 4.264 -3.302 1.00 0.00 C ATOM 1013 CG GLU A 73 -0.900 5.247 -4.402 1.00 0.00 C ATOM 1014 CD GLU A 73 -1.737 6.511 -4.356 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.107 7.015 -5.437 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.020 6.995 -3.242 1.00 0.00 O ATOM 0 H GLU A 73 -3.631 4.335 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.367 3.228 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.675 4.815 -2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.360 3.769 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.154 5.510 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.028 4.766 -5.372 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.899 1.520 -2.036 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.468 0.230 -1.509 1.00 0.00 C ATOM 1023 C PHE A 74 -2.080 -0.916 -2.309 1.00 0.00 C ATOM 1024 O PHE A 74 -1.368 -1.786 -2.811 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.856 0.102 -0.034 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.691 -1.288 0.510 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -0.567 -1.630 1.245 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -2.659 -2.253 0.287 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -0.412 -2.908 1.748 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -2.510 -3.533 0.787 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.384 -3.861 1.519 1.00 0.00 C ATOM 0 H PHE A 74 -2.283 2.154 -1.336 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.383 0.173 -1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.247 0.789 0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.894 0.411 0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.197 -0.889 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.541 -2.002 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.469 -3.161 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.272 -4.276 0.606 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.265 -4.860 1.911 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.404 -0.909 -2.421 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.112 -1.947 -3.160 1.00 0.00 C ATOM 1042 C ILE A 75 -3.571 -2.079 -4.580 1.00 0.00 C ATOM 1043 O ILE A 75 -3.083 -3.138 -4.974 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.624 -1.660 -3.225 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.228 -1.675 -1.819 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.319 -2.678 -4.117 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.112 -3.013 -1.125 1.00 0.00 C ATOM 0 H ILE A 75 -4.008 -0.197 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.949 -2.882 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.773 -0.669 -3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.734 -0.916 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.280 -1.398 -1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.387 -2.462 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.904 -2.623 -5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.165 -3.679 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.561 -2.949 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.631 -3.772 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.060 -3.284 -1.030 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.657 -0.996 -5.344 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.173 -0.987 -6.719 1.00 0.00 C ATOM 1060 C LYS A 76 -1.740 -1.505 -6.794 1.00 0.00 C ATOM 1061 O LYS A 76 -1.333 -2.084 -7.802 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.247 0.427 -7.299 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.459 0.459 -8.802 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.817 1.684 -9.431 1.00 0.00 C ATOM 1065 CE LYS A 76 -3.557 2.957 -9.052 1.00 0.00 C ATOM 1066 NZ LYS A 76 -4.669 3.254 -9.997 1.00 0.00 N ATOM 0 H LYS A 76 -4.058 -0.111 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.811 -1.647 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.061 0.967 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.325 0.957 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.039 -0.442 -9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.527 0.455 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.778 1.757 -9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.809 1.576 -10.516 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.955 2.859 -8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.858 3.793 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.149 4.129 -9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.287 3.373 -10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.349 2.468 -9.991 1.00 0.00 H new ATOM 1076 N ILE A 77 -0.983 -1.293 -5.724 1.00 0.00 N ATOM 1077 CA ILE A 77 0.403 -1.741 -5.670 1.00 0.00 C ATOM 1078 C ILE A 77 0.486 -3.242 -5.415 1.00 0.00 C ATOM 1079 O ILE A 77 1.284 -3.945 -6.036 1.00 0.00 O ATOM 1080 CB ILE A 77 1.192 -1.001 -4.572 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.388 0.467 -4.957 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.534 -1.677 -4.337 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.520 1.391 -3.768 1.00 0.00 C ATOM 0 H ILE A 77 -1.305 -0.814 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 77 0.846 -1.514 -6.640 1.00 0.00 H new ATOM 0 HB ILE A 77 0.621 -1.041 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.280 0.556 -5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.544 0.790 -5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.079 -1.143 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.372 -2.708 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.114 -1.665 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.656 2.415 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.618 1.332 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.381 1.094 -3.170 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.344 -3.727 -4.498 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.366 -5.146 -4.161 1.00 0.00 C ATOM 1096 C PHE A 78 -0.750 -5.988 -5.374 1.00 0.00 C ATOM 1097 O PHE A 78 -0.221 -7.080 -5.579 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.346 -5.404 -3.015 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.458 -6.854 -2.637 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -2.684 -7.404 -2.300 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -0.336 -7.667 -2.618 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -2.791 -8.737 -1.952 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -0.437 -9.001 -2.271 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.665 -9.537 -1.937 1.00 0.00 C ATOM 0 H PHE A 78 -1.010 -3.159 -3.975 1.00 0.00 H new ATOM 0 HA PHE A 78 0.636 -5.434 -3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.030 -4.833 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.331 -5.034 -3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.568 -6.783 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.628 -7.254 -2.877 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.753 -9.153 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.445 -9.624 -2.261 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.745 -10.579 -1.665 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.678 -5.471 -6.175 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.134 -6.174 -7.368 1.00 0.00 C ATOM 1115 C HIS A 79 -1.187 -5.929 -8.539 1.00 0.00 C ATOM 1116 O HIS A 79 -0.971 -6.809 -9.372 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.549 -5.727 -7.740 1.00 0.00 C ATOM 1118 CG HIS A 79 -4.594 -6.768 -7.478 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.353 -7.340 -8.477 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.003 -7.342 -6.322 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.185 -8.219 -7.947 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -5.992 -8.239 -6.640 1.00 0.00 N ATOM 0 H HIS A 79 -2.128 -4.569 -6.019 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.144 -7.242 -7.148 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.796 -4.826 -7.178 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.571 -5.460 -8.796 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.622 -7.133 -5.333 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.901 -8.819 -8.490 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.496 -8.826 -5.975 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.625 -4.725 -8.598 1.00 0.00 N ATOM 1130 CA GLY A 80 0.291 -4.386 -9.671 1.00 0.00 C ATOM 1131 C GLY A 80 -0.364 -4.454 -11.036 1.00 0.00 C ATOM 1132 O GLY A 80 0.125 -5.141 -11.934 1.00 0.00 O ATOM 0 H GLY A 80 -0.788 -3.979 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.680 -3.381 -9.508 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.143 -5.066 -9.646 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.475 -3.742 -11.193 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.199 -3.726 -12.459 1.00 0.00 C ATOM 1138 C LEU A 81 -2.726 -2.327 -12.767 1.00 0.00 C ATOM 1139 O LEU A 81 -3.292 -1.661 -11.901 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.360 -4.723 -12.418 1.00 0.00 C ATOM 1141 CG LEU A 81 -2.979 -6.201 -12.505 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -3.807 -7.024 -11.531 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -3.157 -6.715 -13.926 1.00 0.00 C ATOM 0 H LEU A 81 -1.893 -3.169 -10.460 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.507 -4.016 -13.249 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.915 -4.565 -11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.038 -4.494 -13.240 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.929 -6.302 -12.232 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.522 -8.073 -11.607 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.629 -6.672 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.865 -6.917 -11.772 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.881 -7.769 -13.969 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.198 -6.600 -14.227 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.519 -6.145 -14.602 1.00 0.00 H new ATOM 1154 N LYS A 82 -2.538 -1.891 -14.007 1.00 0.00 N ATOM 1155 CA LYS A 82 -2.996 -0.574 -14.433 1.00 0.00 C ATOM 1156 C LYS A 82 -4.468 -0.612 -14.831 1.00 0.00 C ATOM 1157 O LYS A 82 -4.916 -1.542 -15.500 1.00 0.00 O ATOM 1158 CB LYS A 82 -2.153 -0.071 -15.606 1.00 0.00 C ATOM 1159 CG LYS A 82 -2.359 -0.864 -16.886 1.00 0.00 C ATOM 1160 CD LYS A 82 -1.504 -0.322 -18.021 1.00 0.00 C ATOM 1161 CE LYS A 82 -2.049 0.996 -18.548 1.00 0.00 C ATOM 1162 NZ LYS A 82 -1.473 2.163 -17.825 1.00 0.00 N ATOM 0 H LYS A 82 -2.071 -2.431 -14.736 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.882 0.111 -13.593 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.394 0.975 -15.794 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.099 -0.111 -15.329 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.111 -1.911 -16.710 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.410 -0.829 -17.172 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.481 -0.181 -17.672 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.467 -1.051 -18.830 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.826 1.082 -19.612 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.134 1.006 -18.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.242 2.740 -17.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.860 1.826 -17.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.914 2.739 -18.486 1.00 0.00 H new TER 1172 LYS A 82