USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 702 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 ARG N :NH3+ -140:sc= 0.0282 (180deg=-0.0907) USER MOD Single : A 5 THR OG1 : rot 172:sc= -1.74! USER MOD Single : A 17 SER OG : rot -171:sc= -2.87! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -167:sc= -15.6! (180deg=-15.9!) USER MOD Single : A 31 SER OG : rot -38:sc= -0.588 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.612 K(o=-0.61,f=-1.2) USER MOD Single : A 42 THR OG1 : rot 126:sc= 0.0215 USER MOD Single : A 53 SER OG : rot 180:sc= -1.21 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0462 F(o=-1.4,f=-0.046) USER MOD Single : A 60 SER OG : rot 180:sc= -0.197 USER MOD Single : A 61 SER OG : rot -43:sc= 0.524 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 64 HIS : no HE2:sc= -10.3! C(o=-10!,f=-15!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -151:sc= -0.133 (180deg=-0.29) USER MOD Single : A 74 THR OG1 : rot -150:sc= -0.951! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 91:sc= 0.702 USER MOD Single : A 85 MET CE :methyl -176:sc= 0 (180deg=-0.0215) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 136:sc= 0.311 (180deg=0.164) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.140 -18.297 7.565 1.00 0.00 N ATOM 2 CA ARG A 1 -6.718 -17.165 8.443 1.00 0.00 C ATOM 3 C ARG A 1 -5.195 -17.036 8.444 1.00 0.00 C ATOM 4 O ARG A 1 -4.491 -17.869 7.907 1.00 0.00 O ATOM 5 CB ARG A 1 -7.228 -17.534 9.837 1.00 0.00 C ATOM 6 CG ARG A 1 -8.752 -17.401 9.877 1.00 0.00 C ATOM 7 CD ARG A 1 -9.374 -18.764 10.185 1.00 0.00 C ATOM 8 NE ARG A 1 -10.804 -18.628 9.787 1.00 0.00 N ATOM 9 CZ ARG A 1 -11.740 -18.685 10.692 1.00 0.00 C ATOM 10 NH1 ARG A 1 -12.031 -17.625 11.396 1.00 0.00 N ATOM 11 NH2 ARG A 1 -12.388 -19.800 10.895 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.990 -18.024 7.032 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.373 -18.526 6.901 1.00 0.00 H new ATOM 0 H3 ARG A 1 -7.351 -19.130 8.150 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.116 -16.208 8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.935 -18.554 10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.776 -16.883 10.585 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.045 -16.676 10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.121 -17.029 8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.881 -19.559 9.625 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -9.279 -19.012 11.242 1.00 0.00 H new ATOM 0 HE ARG A 1 -11.050 -18.490 8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -11.526 -16.753 11.238 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -12.763 -17.669 12.105 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -12.162 -20.629 10.345 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -13.120 -19.843 11.604 1.00 0.00 H new ATOM 27 N ARG A 2 -4.679 -15.993 9.032 1.00 0.00 N ATOM 28 CA ARG A 2 -3.204 -15.804 9.056 1.00 0.00 C ATOM 29 C ARG A 2 -2.832 -14.767 10.124 1.00 0.00 C ATOM 30 O ARG A 2 -3.571 -13.837 10.380 1.00 0.00 O ATOM 31 CB ARG A 2 -2.874 -15.301 7.643 1.00 0.00 C ATOM 32 CG ARG A 2 -1.420 -14.830 7.566 1.00 0.00 C ATOM 33 CD ARG A 2 -0.619 -15.806 6.710 1.00 0.00 C ATOM 34 NE ARG A 2 0.752 -15.767 7.289 1.00 0.00 N ATOM 35 CZ ARG A 2 1.494 -16.841 7.283 1.00 0.00 C ATOM 36 NH1 ARG A 2 1.458 -17.653 6.262 1.00 0.00 N ATOM 37 NH2 ARG A 2 2.269 -17.104 8.299 1.00 0.00 N ATOM 0 H ARG A 2 -5.217 -15.262 9.498 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.651 -16.710 9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.043 -16.098 6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.542 -14.482 7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.372 -13.829 7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.992 -14.770 8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.040 -16.810 6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.617 -15.506 5.662 1.00 0.00 H new ATOM 0 HE ARG A 2 1.112 -14.901 7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.850 -17.448 5.469 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.038 -18.492 6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.295 -16.470 9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.849 -17.943 8.294 1.00 0.00 H new ATOM 51 N ARG A 3 -1.693 -14.915 10.746 1.00 0.00 N ATOM 52 CA ARG A 3 -1.281 -13.933 11.794 1.00 0.00 C ATOM 53 C ARG A 3 0.104 -13.365 11.466 1.00 0.00 C ATOM 54 O ARG A 3 0.999 -14.085 11.073 1.00 0.00 O ATOM 55 CB ARG A 3 -1.243 -14.733 13.100 1.00 0.00 C ATOM 56 CG ARG A 3 -0.175 -15.827 13.009 1.00 0.00 C ATOM 57 CD ARG A 3 -0.214 -16.687 14.274 1.00 0.00 C ATOM 58 NE ARG A 3 1.144 -17.289 14.371 1.00 0.00 N ATOM 59 CZ ARG A 3 1.333 -18.365 15.086 1.00 0.00 C ATOM 60 NH1 ARG A 3 1.030 -19.536 14.595 1.00 0.00 N ATOM 61 NH2 ARG A 3 1.824 -18.269 16.291 1.00 0.00 N ATOM 0 H ARG A 3 -1.030 -15.671 10.575 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.964 -13.086 11.860 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.026 -14.069 13.937 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.219 -15.180 13.292 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.349 -16.447 12.130 1.00 0.00 H new ATOM 0 HG3 ARG A 3 0.811 -15.378 12.892 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.443 -16.085 15.154 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.983 -17.456 14.205 1.00 0.00 H new ATOM 0 HE ARG A 3 1.928 -16.860 13.878 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.646 -19.610 13.653 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.178 -20.377 15.153 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.060 -17.354 16.674 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.972 -19.109 16.850 1.00 0.00 H new ATOM 75 N VAL A 4 0.287 -12.080 11.613 1.00 0.00 N ATOM 76 CA VAL A 4 1.618 -11.485 11.295 1.00 0.00 C ATOM 77 C VAL A 4 1.984 -10.408 12.319 1.00 0.00 C ATOM 78 O VAL A 4 1.130 -9.839 12.970 1.00 0.00 O ATOM 79 CB VAL A 4 1.449 -10.874 9.905 1.00 0.00 C ATOM 80 CG1 VAL A 4 2.785 -10.299 9.430 1.00 0.00 C ATOM 81 CG2 VAL A 4 0.981 -11.959 8.932 1.00 0.00 C ATOM 0 H VAL A 4 -0.421 -11.421 11.937 1.00 0.00 H new ATOM 0 HA VAL A 4 2.419 -12.224 11.324 1.00 0.00 H new ATOM 0 HB VAL A 4 0.709 -10.074 9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.662 -9.864 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.117 -9.529 10.126 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.529 -11.095 9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.859 -11.528 7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.722 -12.757 8.893 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.028 -12.365 9.271 1.00 0.00 H new ATOM 91 N THR A 5 3.249 -10.126 12.466 1.00 0.00 N ATOM 92 CA THR A 5 3.675 -9.088 13.447 1.00 0.00 C ATOM 93 C THR A 5 4.878 -8.311 12.906 1.00 0.00 C ATOM 94 O THR A 5 5.891 -8.881 12.554 1.00 0.00 O ATOM 95 CB THR A 5 4.063 -9.867 14.709 1.00 0.00 C ATOM 96 OG1 THR A 5 2.902 -10.470 15.265 1.00 0.00 O ATOM 97 CG2 THR A 5 4.688 -8.918 15.736 1.00 0.00 C ATOM 0 H THR A 5 4.007 -10.570 11.948 1.00 0.00 H new ATOM 0 HA THR A 5 2.888 -8.360 13.644 1.00 0.00 H new ATOM 0 HB THR A 5 4.788 -10.638 14.448 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.163 -11.072 15.993 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.961 -9.478 16.630 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.579 -8.457 15.310 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.969 -8.142 16.000 1.00 0.00 H new ATOM 105 N VAL A 6 4.780 -7.013 12.852 1.00 0.00 N ATOM 106 CA VAL A 6 5.925 -6.201 12.349 1.00 0.00 C ATOM 107 C VAL A 6 6.426 -5.277 13.458 1.00 0.00 C ATOM 108 O VAL A 6 5.730 -4.384 13.898 1.00 0.00 O ATOM 109 CB VAL A 6 5.371 -5.394 11.176 1.00 0.00 C ATOM 110 CG1 VAL A 6 6.459 -4.469 10.627 1.00 0.00 C ATOM 111 CG2 VAL A 6 4.924 -6.349 10.073 1.00 0.00 C ATOM 0 H VAL A 6 3.958 -6.478 13.134 1.00 0.00 H new ATOM 0 HA VAL A 6 6.768 -6.819 12.039 1.00 0.00 H new ATOM 0 HB VAL A 6 4.524 -4.798 11.516 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.060 -3.895 9.790 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.787 -3.787 11.412 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.306 -5.065 10.287 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.528 -5.776 9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.775 -6.942 9.738 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.149 -7.012 10.458 1.00 0.00 H new ATOM 121 N ARG A 7 7.626 -5.488 13.918 1.00 0.00 N ATOM 122 CA ARG A 7 8.167 -4.624 15.005 1.00 0.00 C ATOM 123 C ARG A 7 8.679 -3.303 14.425 1.00 0.00 C ATOM 124 O ARG A 7 9.580 -3.278 13.609 1.00 0.00 O ATOM 125 CB ARG A 7 9.317 -5.424 15.620 1.00 0.00 C ATOM 126 CG ARG A 7 8.790 -6.335 16.737 1.00 0.00 C ATOM 127 CD ARG A 7 9.924 -6.634 17.720 1.00 0.00 C ATOM 128 NE ARG A 7 10.067 -8.118 17.706 1.00 0.00 N ATOM 129 CZ ARG A 7 10.980 -8.692 18.442 1.00 0.00 C ATOM 130 NH1 ARG A 7 10.922 -8.597 19.742 1.00 0.00 N ATOM 131 NH2 ARG A 7 11.949 -9.359 17.879 1.00 0.00 N ATOM 0 H ARG A 7 8.256 -6.220 13.590 1.00 0.00 H new ATOM 0 HA ARG A 7 7.408 -4.372 15.746 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.805 -6.024 14.851 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.070 -4.744 16.020 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.961 -5.853 17.255 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.405 -7.263 16.314 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.849 -6.146 17.415 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.686 -6.270 18.719 1.00 0.00 H new ATOM 0 HE ARG A 7 9.452 -8.684 17.122 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.164 -8.075 20.182 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.634 -9.045 20.318 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.994 -9.433 16.863 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.662 -9.807 18.455 1.00 0.00 H new ATOM 213 N LEU A 14 5.492 2.150 7.849 1.00 0.00 N ATOM 214 CA LEU A 14 5.258 0.676 7.870 1.00 0.00 C ATOM 215 C LEU A 14 5.346 0.103 6.455 1.00 0.00 C ATOM 216 O LEU A 14 5.544 -1.081 6.268 1.00 0.00 O ATOM 217 CB LEU A 14 3.844 0.505 8.424 1.00 0.00 C ATOM 218 CG LEU A 14 3.769 -0.783 9.246 1.00 0.00 C ATOM 219 CD1 LEU A 14 2.675 -0.646 10.308 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.442 -1.957 8.324 1.00 0.00 C ATOM 0 HA LEU A 14 6.001 0.153 8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.580 1.361 9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.124 0.470 7.607 1.00 0.00 H new ATOM 0 HG LEU A 14 4.728 -0.961 9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.620 -1.563 10.895 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.909 0.192 10.965 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.716 -0.469 9.822 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.388 -2.875 8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.483 -1.781 7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.221 -2.054 7.568 1.00 0.00 H new ATOM 232 N GLY A 15 5.191 0.928 5.456 1.00 0.00 N ATOM 233 CA GLY A 15 5.260 0.416 4.061 1.00 0.00 C ATOM 234 C GLY A 15 4.116 -0.570 3.839 1.00 0.00 C ATOM 235 O GLY A 15 4.278 -1.765 3.974 1.00 0.00 O ATOM 0 H GLY A 15 5.020 1.930 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.189 1.241 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.218 -0.073 3.886 1.00 0.00 H new ATOM 239 N ILE A 16 2.954 -0.079 3.517 1.00 0.00 N ATOM 240 CA ILE A 16 1.791 -0.991 3.308 1.00 0.00 C ATOM 241 C ILE A 16 0.571 -0.185 2.854 1.00 0.00 C ATOM 242 O ILE A 16 0.101 0.695 3.547 1.00 0.00 O ATOM 243 CB ILE A 16 1.540 -1.647 4.685 1.00 0.00 C ATOM 244 CG1 ILE A 16 0.172 -2.341 4.701 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.571 -0.583 5.786 1.00 0.00 C ATOM 246 CD1 ILE A 16 0.244 -3.591 5.575 1.00 0.00 C ATOM 0 H ILE A 16 2.756 0.913 3.389 1.00 0.00 H new ATOM 0 HA ILE A 16 1.980 -1.739 2.538 1.00 0.00 H new ATOM 0 HB ILE A 16 2.323 -2.384 4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.588 -1.660 5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.123 -2.610 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.393 -1.054 6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.546 -0.096 5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.796 0.159 5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.728 -4.084 5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.992 -4.274 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.519 -3.309 6.591 1.00 0.00 H new ATOM 258 N SER A 17 0.051 -0.486 1.698 1.00 0.00 N ATOM 259 CA SER A 17 -1.143 0.256 1.209 1.00 0.00 C ATOM 260 C SER A 17 -2.356 -0.681 1.194 1.00 0.00 C ATOM 261 O SER A 17 -2.462 -1.565 0.367 1.00 0.00 O ATOM 262 CB SER A 17 -0.769 0.720 -0.203 1.00 0.00 C ATOM 263 OG SER A 17 0.619 0.988 -0.260 1.00 0.00 O ATOM 0 H SER A 17 0.400 -1.212 1.072 1.00 0.00 H new ATOM 0 HA SER A 17 -1.410 1.103 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.032 -0.047 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.334 1.615 -0.465 1.00 0.00 H new ATOM 0 HG SER A 17 0.835 1.417 -1.115 1.00 0.00 H new ATOM 269 N ILE A 18 -3.256 -0.507 2.125 1.00 0.00 N ATOM 270 CA ILE A 18 -4.451 -1.399 2.194 1.00 0.00 C ATOM 271 C ILE A 18 -5.544 -0.949 1.223 1.00 0.00 C ATOM 272 O ILE A 18 -5.611 0.200 0.833 1.00 0.00 O ATOM 273 CB ILE A 18 -4.940 -1.290 3.638 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.301 0.161 3.951 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.835 -1.753 4.590 1.00 0.00 C ATOM 276 CD1 ILE A 18 -6.216 0.195 5.174 1.00 0.00 C ATOM 0 H ILE A 18 -3.215 0.216 2.843 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.202 -2.423 1.914 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.821 -1.919 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.398 0.741 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.799 0.618 3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.185 -1.675 5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.578 -2.790 4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.954 -1.125 4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.478 1.228 5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.123 -0.372 4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.700 -0.247 6.027 1.00 0.00 H new ATOM 288 N LYS A 19 -6.406 -1.854 0.835 1.00 0.00 N ATOM 289 CA LYS A 19 -7.502 -1.485 -0.107 1.00 0.00 C ATOM 290 C LYS A 19 -8.803 -2.180 0.313 1.00 0.00 C ATOM 291 O LYS A 19 -8.878 -3.393 0.375 1.00 0.00 O ATOM 292 CB LYS A 19 -7.034 -1.992 -1.473 1.00 0.00 C ATOM 293 CG LYS A 19 -7.956 -1.454 -2.571 1.00 0.00 C ATOM 294 CD LYS A 19 -7.369 -1.796 -3.941 1.00 0.00 C ATOM 295 CE LYS A 19 -6.686 -0.558 -4.527 1.00 0.00 C ATOM 296 NZ LYS A 19 -7.784 0.208 -5.182 1.00 0.00 N ATOM 0 H LYS A 19 -6.397 -2.830 1.130 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.702 -0.414 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.009 -1.672 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.035 -3.082 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.951 -1.888 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.068 -0.374 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.651 -2.611 -3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.157 -2.141 -4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.201 0.032 -3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.914 -0.835 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.397 1.074 -5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.222 -0.377 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.501 0.463 -4.473 1.00 0.00 H new ATOM 310 N GLY A 20 -9.824 -1.424 0.612 1.00 0.00 N ATOM 311 CA GLY A 20 -11.111 -2.044 1.032 1.00 0.00 C ATOM 312 C GLY A 20 -11.834 -1.104 1.995 1.00 0.00 C ATOM 313 O GLY A 20 -11.569 0.081 2.038 1.00 0.00 O ATOM 0 H GLY A 20 -9.822 -0.404 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.735 -2.240 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.925 -3.004 1.514 1.00 0.00 H new ATOM 317 N GLY A 21 -12.745 -1.621 2.774 1.00 0.00 N ATOM 318 CA GLY A 21 -13.481 -0.753 3.733 1.00 0.00 C ATOM 319 C GLY A 21 -14.817 -1.402 4.091 1.00 0.00 C ATOM 320 O GLY A 21 -15.489 -1.970 3.253 1.00 0.00 O ATOM 0 H GLY A 21 -13.010 -2.606 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.886 -0.602 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.649 0.230 3.294 1.00 0.00 H new ATOM 324 N ARG A 22 -15.207 -1.321 5.333 1.00 0.00 N ATOM 325 CA ARG A 22 -16.501 -1.933 5.751 1.00 0.00 C ATOM 326 C ARG A 22 -17.673 -1.296 4.992 1.00 0.00 C ATOM 327 O ARG A 22 -18.768 -1.823 4.978 1.00 0.00 O ATOM 328 CB ARG A 22 -16.602 -1.647 7.249 1.00 0.00 C ATOM 329 CG ARG A 22 -17.774 -2.429 7.843 1.00 0.00 C ATOM 330 CD ARG A 22 -17.238 -3.481 8.817 1.00 0.00 C ATOM 331 NE ARG A 22 -17.983 -4.727 8.480 1.00 0.00 N ATOM 332 CZ ARG A 22 -19.224 -4.866 8.861 1.00 0.00 C ATOM 333 NH1 ARG A 22 -19.552 -4.658 10.107 1.00 0.00 N ATOM 334 NH2 ARG A 22 -20.137 -5.213 7.995 1.00 0.00 N ATOM 0 H ARG A 22 -14.686 -0.857 6.077 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.541 -3.001 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.674 -1.929 7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.742 -0.579 7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.454 -1.751 8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.345 -2.910 7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.163 -3.619 8.699 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.409 -3.185 9.852 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.524 -5.470 7.953 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.839 -4.387 10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.522 -4.767 10.404 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.881 -5.375 7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -21.107 -5.322 8.292 1.00 0.00 H new ATOM 348 N GLU A 23 -17.459 -0.174 4.353 1.00 0.00 N ATOM 349 CA GLU A 23 -18.570 0.470 3.598 1.00 0.00 C ATOM 350 C GLU A 23 -18.870 -0.328 2.324 1.00 0.00 C ATOM 351 O GLU A 23 -19.930 -0.211 1.743 1.00 0.00 O ATOM 352 CB GLU A 23 -18.057 1.866 3.255 1.00 0.00 C ATOM 353 CG GLU A 23 -18.815 2.905 4.085 1.00 0.00 C ATOM 354 CD GLU A 23 -20.308 2.825 3.761 1.00 0.00 C ATOM 355 OE1 GLU A 23 -20.633 2.649 2.598 1.00 0.00 O ATOM 356 OE2 GLU A 23 -21.100 2.940 4.682 1.00 0.00 O ATOM 0 H GLU A 23 -16.567 0.320 4.323 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.496 0.510 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.988 1.932 3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.193 2.064 2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.652 2.726 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -18.438 3.905 3.869 1.00 0.00 H new ATOM 363 N ASN A 24 -17.945 -1.143 1.891 1.00 0.00 N ATOM 364 CA ASN A 24 -18.177 -1.952 0.660 1.00 0.00 C ATOM 365 C ASN A 24 -18.004 -3.441 0.975 1.00 0.00 C ATOM 366 O ASN A 24 -17.642 -4.228 0.124 1.00 0.00 O ATOM 367 CB ASN A 24 -17.110 -1.485 -0.329 1.00 0.00 C ATOM 368 CG ASN A 24 -17.760 -0.618 -1.409 1.00 0.00 C ATOM 369 OD1 ASN A 24 -18.271 -1.127 -2.387 1.00 0.00 O ATOM 370 ND2 ASN A 24 -17.764 0.679 -1.272 1.00 0.00 N ATOM 0 H ASN A 24 -17.039 -1.283 2.337 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.183 -1.823 0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.339 -0.918 0.192 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.620 -2.345 -0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.196 1.266 -1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.335 1.106 -0.451 1.00 0.00 H new ATOM 377 N LYS A 25 -18.259 -3.829 2.197 1.00 0.00 N ATOM 378 CA LYS A 25 -18.108 -5.265 2.574 1.00 0.00 C ATOM 379 C LYS A 25 -16.696 -5.753 2.239 1.00 0.00 C ATOM 380 O LYS A 25 -16.462 -6.336 1.199 1.00 0.00 O ATOM 381 CB LYS A 25 -19.146 -6.012 1.735 1.00 0.00 C ATOM 382 CG LYS A 25 -19.779 -7.120 2.578 1.00 0.00 C ATOM 383 CD LYS A 25 -20.352 -8.198 1.655 1.00 0.00 C ATOM 384 CE LYS A 25 -21.867 -8.285 1.853 1.00 0.00 C ATOM 385 NZ LYS A 25 -22.394 -8.786 0.552 1.00 0.00 N ATOM 0 H LYS A 25 -18.565 -3.213 2.950 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.257 -5.427 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.914 -5.321 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.675 -6.438 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.034 -7.555 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.568 -6.708 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.123 -7.962 0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.890 -9.161 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -22.121 -8.961 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.290 -7.312 2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -23.429 -8.873 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.142 -8.118 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.979 -9.717 0.345 1.00 0.00 H new ATOM 399 N MET A 26 -15.753 -5.521 3.113 1.00 0.00 N ATOM 400 CA MET A 26 -14.358 -5.973 2.838 1.00 0.00 C ATOM 401 C MET A 26 -13.505 -5.877 4.114 1.00 0.00 C ATOM 402 O MET A 26 -13.386 -4.815 4.692 1.00 0.00 O ATOM 403 CB MET A 26 -13.835 -5.002 1.775 1.00 0.00 C ATOM 404 CG MET A 26 -13.367 -5.780 0.539 1.00 0.00 C ATOM 405 SD MET A 26 -11.566 -5.648 0.380 1.00 0.00 S ATOM 406 CE MET A 26 -11.142 -6.752 1.748 1.00 0.00 C ATOM 0 H MET A 26 -15.887 -5.040 4.002 1.00 0.00 H new ATOM 0 HA MET A 26 -14.318 -7.010 2.506 1.00 0.00 H new ATOM 0 HB2 MET A 26 -14.619 -4.298 1.496 1.00 0.00 H new ATOM 0 HB3 MET A 26 -13.010 -4.416 2.180 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.658 -6.827 0.624 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.851 -5.386 -0.355 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.084 -6.646 1.987 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.739 -6.494 2.623 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.347 -7.783 1.460 1.00 0.00 H new ATOM 416 N PRO A 27 -12.923 -6.988 4.513 1.00 0.00 N ATOM 417 CA PRO A 27 -12.058 -7.007 5.732 1.00 0.00 C ATOM 418 C PRO A 27 -10.722 -6.281 5.494 1.00 0.00 C ATOM 419 O PRO A 27 -9.672 -6.832 5.760 1.00 0.00 O ATOM 420 CB PRO A 27 -11.794 -8.494 5.952 1.00 0.00 C ATOM 421 CG PRO A 27 -11.944 -9.107 4.598 1.00 0.00 C ATOM 422 CD PRO A 27 -13.015 -8.320 3.892 1.00 0.00 C ATOM 0 HA PRO A 27 -12.531 -6.506 6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.796 -8.664 6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.502 -8.922 6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.005 -9.066 4.047 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.222 -10.158 4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.839 -8.276 2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.000 -8.763 4.035 1.00 0.00 H new ATOM 430 N ILE A 28 -10.744 -5.057 5.013 1.00 0.00 N ATOM 431 CA ILE A 28 -9.462 -4.301 4.769 1.00 0.00 C ATOM 432 C ILE A 28 -8.400 -5.216 4.127 1.00 0.00 C ATOM 433 O ILE A 28 -7.629 -5.848 4.820 1.00 0.00 O ATOM 434 CB ILE A 28 -8.982 -3.839 6.157 1.00 0.00 C ATOM 435 CG1 ILE A 28 -10.152 -3.289 6.990 1.00 0.00 C ATOM 436 CG2 ILE A 28 -7.931 -2.741 5.988 1.00 0.00 C ATOM 437 CD1 ILE A 28 -10.868 -2.178 6.219 1.00 0.00 C ATOM 0 H ILE A 28 -11.594 -4.545 4.778 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.620 -3.465 4.088 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.556 -4.697 6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.852 -4.091 7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.783 -2.903 7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.589 -2.411 6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.086 -3.131 5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.369 -1.898 5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.695 -1.795 6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.167 -1.370 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.253 -2.576 5.280 1.00 0.00 H new ATOM 449 N LEU A 29 -8.358 -5.310 2.819 1.00 0.00 N ATOM 450 CA LEU A 29 -7.353 -6.211 2.174 1.00 0.00 C ATOM 451 C LEU A 29 -6.111 -5.445 1.717 1.00 0.00 C ATOM 452 O LEU A 29 -6.205 -4.437 1.045 1.00 0.00 O ATOM 453 CB LEU A 29 -8.061 -6.797 0.947 1.00 0.00 C ATOM 454 CG LEU A 29 -8.540 -8.219 1.236 1.00 0.00 C ATOM 455 CD1 LEU A 29 -9.246 -8.777 0.001 1.00 0.00 C ATOM 456 CD2 LEU A 29 -7.344 -9.111 1.561 1.00 0.00 C ATOM 0 H LEU A 29 -8.970 -4.807 2.176 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.014 -6.971 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.909 -6.169 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.381 -6.802 0.095 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.225 -8.199 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.589 -9.791 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.101 -8.148 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.552 -8.790 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.691 -10.124 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.660 -9.127 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.826 -8.720 2.437 1.00 0.00 H new ATOM 468 N ILE A 30 -4.945 -5.937 2.043 1.00 0.00 N ATOM 469 CA ILE A 30 -3.706 -5.254 1.587 1.00 0.00 C ATOM 470 C ILE A 30 -3.608 -5.378 0.064 1.00 0.00 C ATOM 471 O ILE A 30 -3.792 -6.443 -0.491 1.00 0.00 O ATOM 472 CB ILE A 30 -2.556 -5.995 2.271 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.616 -5.728 3.777 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.218 -5.494 1.712 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.414 -6.380 4.461 1.00 0.00 C ATOM 0 H ILE A 30 -4.800 -6.778 2.602 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.688 -4.193 1.836 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.644 -7.065 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.617 -4.655 3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.543 -6.126 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.399 -6.023 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.180 -5.678 0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.123 -4.425 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.458 -6.189 5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.433 -7.455 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.493 -5.961 4.055 1.00 0.00 H new ATOM 487 N SER A 31 -3.339 -4.302 -0.616 1.00 0.00 N ATOM 488 CA SER A 31 -3.254 -4.375 -2.104 1.00 0.00 C ATOM 489 C SER A 31 -1.864 -3.966 -2.597 1.00 0.00 C ATOM 490 O SER A 31 -1.538 -4.135 -3.755 1.00 0.00 O ATOM 491 CB SER A 31 -4.308 -3.390 -2.607 1.00 0.00 C ATOM 492 OG SER A 31 -4.591 -3.656 -3.973 1.00 0.00 O ATOM 0 H SER A 31 -3.175 -3.380 -0.213 1.00 0.00 H new ATOM 0 HA SER A 31 -3.424 -5.388 -2.469 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.217 -3.479 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.950 -2.367 -2.491 1.00 0.00 H new ATOM 0 HG SER A 31 -3.764 -3.905 -4.436 1.00 0.00 H new ATOM 498 N LYS A 32 -1.041 -3.428 -1.739 1.00 0.00 N ATOM 499 CA LYS A 32 0.317 -3.015 -2.190 1.00 0.00 C ATOM 500 C LYS A 32 1.321 -3.112 -1.041 1.00 0.00 C ATOM 501 O LYS A 32 1.417 -2.231 -0.210 1.00 0.00 O ATOM 502 CB LYS A 32 0.163 -1.562 -2.638 1.00 0.00 C ATOM 503 CG LYS A 32 0.856 -1.361 -3.987 1.00 0.00 C ATOM 504 CD LYS A 32 1.551 0.002 -3.995 1.00 0.00 C ATOM 505 CE LYS A 32 1.634 0.528 -5.428 1.00 0.00 C ATOM 506 NZ LYS A 32 0.743 1.723 -5.448 1.00 0.00 N ATOM 0 H LYS A 32 -1.248 -3.258 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 32 0.691 -3.655 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.894 -1.307 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.596 -0.894 -1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.583 -2.155 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.127 -1.416 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.001 0.706 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.551 -0.086 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.657 0.793 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.304 -0.224 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.746 2.142 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.225 1.438 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.086 2.424 -4.760 1.00 0.00 H new ATOM 520 N ILE A 33 2.082 -4.168 -0.999 1.00 0.00 N ATOM 521 CA ILE A 33 3.094 -4.310 0.081 1.00 0.00 C ATOM 522 C ILE A 33 4.403 -3.675 -0.388 1.00 0.00 C ATOM 523 O ILE A 33 5.188 -4.282 -1.088 1.00 0.00 O ATOM 524 CB ILE A 33 3.227 -5.823 0.297 1.00 0.00 C ATOM 525 CG1 ILE A 33 2.009 -6.319 1.075 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.494 -6.146 1.093 1.00 0.00 C ATOM 527 CD1 ILE A 33 1.949 -5.626 2.439 1.00 0.00 C ATOM 0 H ILE A 33 2.047 -4.939 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 33 2.820 -3.814 1.012 1.00 0.00 H new ATOM 0 HB ILE A 33 3.288 -6.315 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.098 -6.114 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.066 -7.399 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.569 -7.224 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.368 -5.790 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.449 -5.654 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.079 -5.983 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.854 -5.853 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.871 -4.548 2.296 1.00 0.00 H new ATOM 539 N PHE A 34 4.622 -2.445 -0.017 1.00 0.00 N ATOM 540 CA PHE A 34 5.858 -1.722 -0.438 1.00 0.00 C ATOM 541 C PHE A 34 7.096 -2.614 -0.272 1.00 0.00 C ATOM 542 O PHE A 34 7.236 -3.316 0.705 1.00 0.00 O ATOM 543 CB PHE A 34 5.912 -0.505 0.495 1.00 0.00 C ATOM 544 CG PHE A 34 4.981 0.594 -0.005 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.889 0.295 -0.843 1.00 0.00 C ATOM 546 CD2 PHE A 34 5.210 1.921 0.379 1.00 0.00 C ATOM 547 CE1 PHE A 34 3.045 1.313 -1.288 1.00 0.00 C ATOM 548 CE2 PHE A 34 4.360 2.938 -0.068 1.00 0.00 C ATOM 549 CZ PHE A 34 3.278 2.634 -0.901 1.00 0.00 C ATOM 0 H PHE A 34 3.989 -1.901 0.569 1.00 0.00 H new ATOM 0 HA PHE A 34 5.844 -1.435 -1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.626 -0.800 1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.933 -0.127 0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.704 -0.726 -1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.045 2.160 1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.211 1.079 -1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.539 3.960 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.623 3.421 -1.245 1.00 0.00 H new ATOM 559 N LYS A 35 7.984 -2.600 -1.230 1.00 0.00 N ATOM 560 CA LYS A 35 9.202 -3.458 -1.131 1.00 0.00 C ATOM 561 C LYS A 35 10.246 -2.803 -0.224 1.00 0.00 C ATOM 562 O LYS A 35 10.229 -1.609 -0.002 1.00 0.00 O ATOM 563 CB LYS A 35 9.729 -3.571 -2.562 1.00 0.00 C ATOM 564 CG LYS A 35 10.399 -4.934 -2.751 1.00 0.00 C ATOM 565 CD LYS A 35 10.126 -5.446 -4.166 1.00 0.00 C ATOM 566 CE LYS A 35 9.993 -6.970 -4.141 1.00 0.00 C ATOM 567 NZ LYS A 35 8.541 -7.223 -3.921 1.00 0.00 N ATOM 0 H LYS A 35 7.920 -2.033 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 35 8.980 -4.434 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.911 -3.454 -3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.443 -2.772 -2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.473 -4.849 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.018 -5.643 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.213 -4.997 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.936 -5.152 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.334 -7.412 -5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.596 -7.406 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.368 -8.248 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.247 -6.796 -3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.994 -6.802 -4.698 1.00 0.00 H new ATOM 581 N GLY A 36 11.152 -3.579 0.307 1.00 0.00 N ATOM 582 CA GLY A 36 12.191 -3.002 1.206 1.00 0.00 C ATOM 583 C GLY A 36 11.508 -2.243 2.347 1.00 0.00 C ATOM 584 O GLY A 36 12.089 -1.370 2.961 1.00 0.00 O ATOM 0 H GLY A 36 11.217 -4.586 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.822 -3.795 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.841 -2.331 0.645 1.00 0.00 H new ATOM 588 N LEU A 37 10.274 -2.567 2.631 1.00 0.00 N ATOM 589 CA LEU A 37 9.549 -1.865 3.727 1.00 0.00 C ATOM 590 C LEU A 37 9.300 -2.837 4.889 1.00 0.00 C ATOM 591 O LEU A 37 9.499 -4.029 4.764 1.00 0.00 O ATOM 592 CB LEU A 37 8.226 -1.419 3.096 1.00 0.00 C ATOM 593 CG LEU A 37 8.276 0.074 2.740 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.618 0.894 3.984 1.00 0.00 C ATOM 595 CD2 LEU A 37 9.328 0.317 1.656 1.00 0.00 C ATOM 0 H LEU A 37 9.737 -3.289 2.150 1.00 0.00 H new ATOM 0 HA LEU A 37 10.108 -1.022 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.028 -2.006 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.405 -1.607 3.788 1.00 0.00 H new ATOM 0 HG LEU A 37 7.300 0.382 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.652 1.952 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.857 0.732 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.589 0.584 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.357 1.378 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.306 0.002 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.071 -0.256 0.765 1.00 0.00 H new ATOM 607 N ALA A 38 8.877 -2.338 6.019 1.00 0.00 N ATOM 608 CA ALA A 38 8.628 -3.236 7.190 1.00 0.00 C ATOM 609 C ALA A 38 7.636 -4.347 6.834 1.00 0.00 C ATOM 610 O ALA A 38 7.987 -5.506 6.750 1.00 0.00 O ATOM 611 CB ALA A 38 8.026 -2.328 8.262 1.00 0.00 C ATOM 0 H ALA A 38 8.692 -1.349 6.185 1.00 0.00 H new ATOM 0 HA ALA A 38 9.544 -3.727 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.814 -2.913 9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.733 -1.535 8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.101 -1.888 7.889 1.00 0.00 H new ATOM 617 N ALA A 39 6.393 -4.000 6.649 1.00 0.00 N ATOM 618 CA ALA A 39 5.360 -5.029 6.328 1.00 0.00 C ATOM 619 C ALA A 39 5.834 -5.982 5.225 1.00 0.00 C ATOM 620 O ALA A 39 5.371 -7.101 5.128 1.00 0.00 O ATOM 621 CB ALA A 39 4.147 -4.227 5.862 1.00 0.00 C ATOM 0 H ALA A 39 6.045 -3.043 6.706 1.00 0.00 H new ATOM 0 HA ALA A 39 5.140 -5.660 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.337 -4.909 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.821 -3.562 6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.416 -3.636 4.986 1.00 0.00 H new ATOM 627 N ASP A 40 6.742 -5.560 4.393 1.00 0.00 N ATOM 628 CA ASP A 40 7.219 -6.465 3.307 1.00 0.00 C ATOM 629 C ASP A 40 8.477 -7.219 3.752 1.00 0.00 C ATOM 630 O ASP A 40 8.708 -8.343 3.354 1.00 0.00 O ATOM 631 CB ASP A 40 7.516 -5.542 2.125 1.00 0.00 C ATOM 632 CG ASP A 40 8.183 -6.337 0.999 1.00 0.00 C ATOM 633 OD1 ASP A 40 9.368 -6.608 1.113 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.499 -6.660 0.043 1.00 0.00 O ATOM 0 H ASP A 40 7.173 -4.636 4.415 1.00 0.00 H new ATOM 0 HA ASP A 40 6.483 -7.226 3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.592 -5.089 1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.167 -4.728 2.443 1.00 0.00 H new ATOM 639 N GLN A 41 9.290 -6.616 4.576 1.00 0.00 N ATOM 640 CA GLN A 41 10.523 -7.318 5.037 1.00 0.00 C ATOM 641 C GLN A 41 10.223 -8.173 6.279 1.00 0.00 C ATOM 642 O GLN A 41 11.121 -8.654 6.941 1.00 0.00 O ATOM 643 CB GLN A 41 11.530 -6.199 5.356 1.00 0.00 C ATOM 644 CG GLN A 41 11.120 -5.456 6.633 1.00 0.00 C ATOM 645 CD GLN A 41 12.131 -5.757 7.741 1.00 0.00 C ATOM 646 OE1 GLN A 41 12.746 -6.805 7.750 1.00 0.00 O ATOM 647 NE2 GLN A 41 12.332 -4.876 8.683 1.00 0.00 N ATOM 0 H GLN A 41 9.156 -5.676 4.948 1.00 0.00 H new ATOM 0 HA GLN A 41 10.915 -8.002 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.527 -6.623 5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.582 -5.499 4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.078 -4.383 6.445 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.122 -5.765 6.942 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.816 -3.996 8.677 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.005 -5.068 9.425 1.00 0.00 H new ATOM 656 N THR A 42 8.969 -8.367 6.600 1.00 0.00 N ATOM 657 CA THR A 42 8.624 -9.192 7.796 1.00 0.00 C ATOM 658 C THR A 42 8.255 -10.624 7.383 1.00 0.00 C ATOM 659 O THR A 42 7.833 -11.421 8.197 1.00 0.00 O ATOM 660 CB THR A 42 7.422 -8.488 8.424 1.00 0.00 C ATOM 661 OG1 THR A 42 6.421 -8.291 7.436 1.00 0.00 O ATOM 662 CG2 THR A 42 7.858 -7.134 8.988 1.00 0.00 C ATOM 0 H THR A 42 8.172 -7.991 6.087 1.00 0.00 H new ATOM 0 HA THR A 42 9.461 -9.277 8.489 1.00 0.00 H new ATOM 0 HB THR A 42 7.021 -9.103 9.230 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.574 -8.671 7.749 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.000 -6.633 9.436 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.626 -7.286 9.747 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.260 -6.517 8.184 1.00 0.00 H new ATOM 670 N GLU A 43 8.413 -10.965 6.128 1.00 0.00 N ATOM 671 CA GLU A 43 8.075 -12.346 5.677 1.00 0.00 C ATOM 672 C GLU A 43 6.674 -12.748 6.155 1.00 0.00 C ATOM 673 O GLU A 43 6.495 -13.773 6.784 1.00 0.00 O ATOM 674 CB GLU A 43 9.136 -13.241 6.320 1.00 0.00 C ATOM 675 CG GLU A 43 9.741 -14.160 5.256 1.00 0.00 C ATOM 676 CD GLU A 43 8.970 -15.481 5.224 1.00 0.00 C ATOM 677 OE1 GLU A 43 7.878 -15.493 4.678 1.00 0.00 O ATOM 678 OE2 GLU A 43 9.483 -16.456 5.745 1.00 0.00 O ATOM 0 H GLU A 43 8.762 -10.345 5.397 1.00 0.00 H new ATOM 0 HA GLU A 43 8.068 -12.429 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.916 -12.630 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.691 -13.835 7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.700 -13.679 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.792 -14.346 5.476 1.00 0.00 H new ATOM 685 N ALA A 44 5.679 -11.953 5.861 1.00 0.00 N ATOM 686 CA ALA A 44 4.292 -12.299 6.299 1.00 0.00 C ATOM 687 C ALA A 44 3.292 -11.264 5.782 1.00 0.00 C ATOM 688 O ALA A 44 2.308 -11.603 5.156 1.00 0.00 O ATOM 689 CB ALA A 44 4.336 -12.280 7.824 1.00 0.00 C ATOM 0 H ALA A 44 5.765 -11.081 5.338 1.00 0.00 H new ATOM 0 HA ALA A 44 3.974 -13.267 5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.350 -12.525 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.061 -13.013 8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.628 -11.287 8.167 1.00 0.00 H new ATOM 695 N LEU A 45 3.527 -10.004 6.030 1.00 0.00 N ATOM 696 CA LEU A 45 2.573 -8.979 5.526 1.00 0.00 C ATOM 697 C LEU A 45 2.683 -8.910 4.003 1.00 0.00 C ATOM 698 O LEU A 45 3.418 -8.116 3.448 1.00 0.00 O ATOM 699 CB LEU A 45 2.983 -7.662 6.187 1.00 0.00 C ATOM 700 CG LEU A 45 1.914 -7.278 7.217 1.00 0.00 C ATOM 701 CD1 LEU A 45 2.362 -6.043 8.000 1.00 0.00 C ATOM 702 CD2 LEU A 45 0.603 -6.970 6.494 1.00 0.00 C ATOM 0 H LEU A 45 4.326 -9.645 6.552 1.00 0.00 H new ATOM 0 HA LEU A 45 1.535 -9.209 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.954 -7.768 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.085 -6.878 5.437 1.00 0.00 H new ATOM 0 HG LEU A 45 1.769 -8.108 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.597 -5.777 8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.297 -6.259 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.512 -5.211 7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.159 -6.697 7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.755 -6.143 5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.277 -7.851 5.941 1.00 0.00 H new ATOM 714 N PHE A 46 1.956 -9.759 3.335 1.00 0.00 N ATOM 715 CA PHE A 46 1.990 -9.795 1.836 1.00 0.00 C ATOM 716 C PHE A 46 0.640 -9.336 1.275 1.00 0.00 C ATOM 717 O PHE A 46 -0.383 -9.494 1.905 1.00 0.00 O ATOM 718 CB PHE A 46 2.286 -11.263 1.400 1.00 0.00 C ATOM 719 CG PHE A 46 1.966 -12.281 2.484 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.649 -12.457 2.928 1.00 0.00 C ATOM 721 CD2 PHE A 46 2.997 -13.050 3.039 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.367 -13.396 3.925 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.713 -13.991 4.033 1.00 0.00 C ATOM 724 CZ PHE A 46 1.399 -14.163 4.476 1.00 0.00 C ATOM 0 H PHE A 46 1.330 -10.441 3.764 1.00 0.00 H new ATOM 0 HA PHE A 46 2.762 -9.127 1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.704 -11.495 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.338 -11.350 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.148 -11.867 2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.013 -12.916 2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.648 -13.529 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.509 -14.585 4.458 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.180 -14.889 5.245 1.00 0.00 H new ATOM 734 N VAL A 47 0.623 -8.764 0.098 1.00 0.00 N ATOM 735 CA VAL A 47 -0.673 -8.298 -0.490 1.00 0.00 C ATOM 736 C VAL A 47 -1.725 -9.414 -0.402 1.00 0.00 C ATOM 737 O VAL A 47 -1.400 -10.567 -0.199 1.00 0.00 O ATOM 738 CB VAL A 47 -0.363 -7.965 -1.954 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.625 -7.425 -2.630 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.736 -6.900 -2.028 1.00 0.00 C ATOM 0 H VAL A 47 1.446 -8.599 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.076 -7.435 0.041 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.026 -8.870 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.407 -7.188 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.412 -8.178 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.957 -6.524 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.950 -6.670 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.402 -5.996 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.639 -7.275 -1.547 1.00 0.00 H new ATOM 750 N GLY A 48 -2.981 -9.082 -0.537 1.00 0.00 N ATOM 751 CA GLY A 48 -4.042 -10.126 -0.444 1.00 0.00 C ATOM 752 C GLY A 48 -4.205 -10.533 1.020 1.00 0.00 C ATOM 753 O GLY A 48 -4.514 -11.666 1.333 1.00 0.00 O ATOM 0 H GLY A 48 -3.318 -8.134 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.984 -9.743 -0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.773 -10.992 -1.049 1.00 0.00 H new ATOM 757 N ASP A 49 -3.992 -9.611 1.916 1.00 0.00 N ATOM 758 CA ASP A 49 -4.125 -9.928 3.365 1.00 0.00 C ATOM 759 C ASP A 49 -5.250 -9.101 3.984 1.00 0.00 C ATOM 760 O ASP A 49 -5.104 -7.919 4.221 1.00 0.00 O ATOM 761 CB ASP A 49 -2.781 -9.534 3.973 1.00 0.00 C ATOM 762 CG ASP A 49 -1.783 -10.683 3.812 1.00 0.00 C ATOM 763 OD1 ASP A 49 -2.176 -11.724 3.307 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.643 -10.503 4.201 1.00 0.00 O ATOM 0 H ASP A 49 -3.730 -8.648 1.706 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.366 -10.976 3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.399 -8.637 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.906 -9.293 5.029 1.00 0.00 H new ATOM 769 N ALA A 50 -6.370 -9.708 4.246 1.00 0.00 N ATOM 770 CA ALA A 50 -7.497 -8.944 4.848 1.00 0.00 C ATOM 771 C ALA A 50 -7.306 -8.827 6.358 1.00 0.00 C ATOM 772 O ALA A 50 -7.637 -9.724 7.109 1.00 0.00 O ATOM 773 CB ALA A 50 -8.746 -9.751 4.514 1.00 0.00 C ATOM 0 H ALA A 50 -6.555 -10.696 4.071 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.563 -7.926 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.623 -9.251 4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.848 -9.832 3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.661 -10.748 4.946 1.00 0.00 H new ATOM 779 N ILE A 51 -6.768 -7.728 6.811 1.00 0.00 N ATOM 780 CA ILE A 51 -6.552 -7.556 8.274 1.00 0.00 C ATOM 781 C ILE A 51 -7.891 -7.584 9.011 1.00 0.00 C ATOM 782 O ILE A 51 -8.851 -6.960 8.603 1.00 0.00 O ATOM 783 CB ILE A 51 -5.880 -6.191 8.432 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.501 -6.221 7.765 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.718 -5.872 9.922 1.00 0.00 C ATOM 786 CD1 ILE A 51 -3.798 -4.877 7.979 1.00 0.00 C ATOM 0 H ILE A 51 -6.469 -6.943 6.232 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.939 -8.355 8.692 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.496 -5.426 7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.900 -7.028 8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.606 -6.423 6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.239 -4.899 10.036 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.698 -5.852 10.398 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.101 -6.637 10.393 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.817 -4.900 7.504 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.396 -4.079 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.680 -4.694 9.047 1.00 0.00 H new ATOM 798 N LEU A 52 -7.957 -8.299 10.096 1.00 0.00 N ATOM 799 CA LEU A 52 -9.229 -8.367 10.869 1.00 0.00 C ATOM 800 C LEU A 52 -8.955 -8.143 12.361 1.00 0.00 C ATOM 801 O LEU A 52 -9.798 -8.393 13.200 1.00 0.00 O ATOM 802 CB LEU A 52 -9.761 -9.776 10.617 1.00 0.00 C ATOM 803 CG LEU A 52 -10.259 -9.875 9.172 1.00 0.00 C ATOM 804 CD1 LEU A 52 -10.766 -11.293 8.898 1.00 0.00 C ATOM 805 CD2 LEU A 52 -11.395 -8.874 8.954 1.00 0.00 C ATOM 0 H LEU A 52 -7.185 -8.841 10.483 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.944 -7.602 10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.976 -10.511 10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.572 -10.001 11.310 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.439 -9.648 8.491 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.120 -11.360 7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.955 -12.005 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.585 -11.525 9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.750 -8.944 7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.214 -9.099 9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.032 -7.864 9.144 1.00 0.00 H new ATOM 817 N SER A 53 -7.785 -7.663 12.698 1.00 0.00 N ATOM 818 CA SER A 53 -7.452 -7.410 14.128 1.00 0.00 C ATOM 819 C SER A 53 -6.021 -6.878 14.233 1.00 0.00 C ATOM 820 O SER A 53 -5.068 -7.631 14.242 1.00 0.00 O ATOM 821 CB SER A 53 -7.570 -8.764 14.833 1.00 0.00 C ATOM 822 OG SER A 53 -8.581 -8.696 15.826 1.00 0.00 O ATOM 0 H SER A 53 -7.042 -7.435 12.037 1.00 0.00 H new ATOM 0 HA SER A 53 -8.115 -6.671 14.578 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.809 -9.543 14.109 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.617 -9.033 15.288 1.00 0.00 H new ATOM 0 HG SER A 53 -8.657 -9.564 16.275 1.00 0.00 H new ATOM 828 N VAL A 54 -5.862 -5.586 14.305 1.00 0.00 N ATOM 829 CA VAL A 54 -4.487 -5.013 14.401 1.00 0.00 C ATOM 830 C VAL A 54 -4.116 -4.752 15.867 1.00 0.00 C ATOM 831 O VAL A 54 -4.829 -4.090 16.589 1.00 0.00 O ATOM 832 CB VAL A 54 -4.530 -3.702 13.604 1.00 0.00 C ATOM 833 CG1 VAL A 54 -5.057 -3.962 12.194 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.449 -2.697 14.293 1.00 0.00 C ATOM 0 H VAL A 54 -6.620 -4.903 14.302 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.734 -5.695 14.005 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.518 -3.299 13.552 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.084 -3.025 11.637 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.401 -4.668 11.685 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.063 -4.378 12.252 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.471 -1.771 13.718 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.456 -3.109 14.357 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.077 -2.492 15.297 1.00 0.00 H new ATOM 844 N ASN A 55 -3.001 -5.272 16.304 1.00 0.00 N ATOM 845 CA ASN A 55 -2.557 -5.069 17.718 1.00 0.00 C ATOM 846 C ASN A 55 -3.603 -5.614 18.695 1.00 0.00 C ATOM 847 O ASN A 55 -3.677 -5.196 19.834 1.00 0.00 O ATOM 848 CB ASN A 55 -2.397 -3.557 17.888 1.00 0.00 C ATOM 849 CG ASN A 55 -1.516 -2.996 16.767 1.00 0.00 C ATOM 850 OD1 ASN A 55 -0.575 -3.742 16.256 1.00 0.00 O flip ATOM 851 ND2 ASN A 55 -1.685 -1.867 16.353 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.369 -5.836 15.736 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.627 -5.597 17.927 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.374 -3.075 17.870 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.951 -3.337 18.858 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.420 -1.282 16.751 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.092 -1.503 15.607 1.00 0.00 H new ATOM 858 N GLY A 56 -4.406 -6.549 18.266 1.00 0.00 N ATOM 859 CA GLY A 56 -5.435 -7.121 19.181 1.00 0.00 C ATOM 860 C GLY A 56 -6.715 -6.282 19.117 1.00 0.00 C ATOM 861 O GLY A 56 -7.446 -6.179 20.081 1.00 0.00 O ATOM 0 H GLY A 56 -4.395 -6.941 17.324 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.651 -8.152 18.900 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.054 -7.142 20.202 1.00 0.00 H new ATOM 865 N GLU A 57 -6.997 -5.687 17.989 1.00 0.00 N ATOM 866 CA GLU A 57 -8.238 -4.863 17.873 1.00 0.00 C ATOM 867 C GLU A 57 -9.098 -5.389 16.727 1.00 0.00 C ATOM 868 O GLU A 57 -8.884 -5.038 15.583 1.00 0.00 O ATOM 869 CB GLU A 57 -7.755 -3.447 17.565 1.00 0.00 C ATOM 870 CG GLU A 57 -8.185 -2.503 18.690 1.00 0.00 C ATOM 871 CD GLU A 57 -9.665 -2.153 18.527 1.00 0.00 C ATOM 872 OE1 GLU A 57 -10.163 -2.268 17.418 1.00 0.00 O ATOM 873 OE2 GLU A 57 -10.277 -1.777 19.513 1.00 0.00 O ATOM 0 H GLU A 57 -6.425 -5.735 17.146 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.842 -4.895 18.779 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.670 -3.436 17.462 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.169 -3.109 16.615 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.017 -2.974 19.658 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.582 -1.596 18.668 1.00 0.00 H new ATOM 880 N ASP A 58 -10.060 -6.232 17.027 1.00 0.00 N ATOM 881 CA ASP A 58 -10.943 -6.810 15.963 1.00 0.00 C ATOM 882 C ASP A 58 -11.340 -5.750 14.931 1.00 0.00 C ATOM 883 O ASP A 58 -12.260 -4.982 15.130 1.00 0.00 O ATOM 884 CB ASP A 58 -12.178 -7.316 16.708 1.00 0.00 C ATOM 885 CG ASP A 58 -12.478 -8.754 16.281 1.00 0.00 C ATOM 886 OD1 ASP A 58 -12.149 -9.100 15.158 1.00 0.00 O ATOM 887 OD2 ASP A 58 -13.033 -9.486 17.084 1.00 0.00 O ATOM 0 H ASP A 58 -10.272 -6.547 17.974 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.437 -7.600 15.409 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.010 -7.273 17.784 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.033 -6.676 16.493 1.00 0.00 H new ATOM 892 N LEU A 59 -10.645 -5.710 13.830 1.00 0.00 N ATOM 893 CA LEU A 59 -10.966 -4.709 12.776 1.00 0.00 C ATOM 894 C LEU A 59 -12.154 -5.182 11.928 1.00 0.00 C ATOM 895 O LEU A 59 -12.672 -4.446 11.110 1.00 0.00 O ATOM 896 CB LEU A 59 -9.695 -4.621 11.930 1.00 0.00 C ATOM 897 CG LEU A 59 -9.062 -3.240 12.105 1.00 0.00 C ATOM 898 CD1 LEU A 59 -10.044 -2.171 11.628 1.00 0.00 C ATOM 899 CD2 LEU A 59 -8.736 -3.005 13.581 1.00 0.00 C ATOM 0 H LEU A 59 -9.865 -6.330 13.614 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.251 -3.743 13.192 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.991 -5.397 12.231 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.931 -4.794 10.880 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.144 -3.186 11.519 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.596 -1.185 11.751 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.277 -2.335 10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.960 -2.230 12.216 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.285 -2.020 13.702 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.652 -3.059 14.169 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.038 -3.768 13.925 1.00 0.00 H new ATOM 911 N SER A 60 -12.595 -6.399 12.114 1.00 0.00 N ATOM 912 CA SER A 60 -13.751 -6.902 11.316 1.00 0.00 C ATOM 913 C SER A 60 -14.942 -5.952 11.457 1.00 0.00 C ATOM 914 O SER A 60 -15.683 -5.728 10.520 1.00 0.00 O ATOM 915 CB SER A 60 -14.080 -8.270 11.917 1.00 0.00 C ATOM 916 OG SER A 60 -14.920 -8.102 13.049 1.00 0.00 O ATOM 0 H SER A 60 -12.206 -7.064 12.782 1.00 0.00 H new ATOM 0 HA SER A 60 -13.523 -6.969 10.252 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.575 -8.896 11.174 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.162 -8.782 12.205 1.00 0.00 H new ATOM 0 HG SER A 60 -15.132 -8.979 13.432 1.00 0.00 H new ATOM 922 N SER A 61 -15.133 -5.392 12.620 1.00 0.00 N ATOM 923 CA SER A 61 -16.276 -4.455 12.819 1.00 0.00 C ATOM 924 C SER A 61 -15.811 -3.009 12.626 1.00 0.00 C ATOM 925 O SER A 61 -16.423 -2.080 13.115 1.00 0.00 O ATOM 926 CB SER A 61 -16.732 -4.687 14.260 1.00 0.00 C ATOM 927 OG SER A 61 -17.928 -3.959 14.501 1.00 0.00 O ATOM 0 H SER A 61 -14.547 -5.542 13.441 1.00 0.00 H new ATOM 0 HA SER A 61 -17.082 -4.627 12.106 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.900 -5.750 14.433 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.954 -4.370 14.955 1.00 0.00 H new ATOM 0 HG SER A 61 -17.853 -3.066 14.105 1.00 0.00 H new ATOM 933 N ALA A 62 -14.731 -2.813 11.920 1.00 0.00 N ATOM 934 CA ALA A 62 -14.224 -1.429 11.697 1.00 0.00 C ATOM 935 C ALA A 62 -14.217 -1.101 10.202 1.00 0.00 C ATOM 936 O ALA A 62 -14.256 -1.979 9.365 1.00 0.00 O ATOM 937 CB ALA A 62 -12.798 -1.440 12.245 1.00 0.00 C ATOM 0 H ALA A 62 -14.177 -3.552 11.487 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.846 -0.678 12.184 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.352 -0.454 12.118 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.817 -1.696 13.304 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.206 -2.178 11.704 1.00 0.00 H new ATOM 943 N THR A 63 -14.161 0.159 9.862 1.00 0.00 N ATOM 944 CA THR A 63 -14.146 0.543 8.420 1.00 0.00 C ATOM 945 C THR A 63 -12.703 0.639 7.921 1.00 0.00 C ATOM 946 O THR A 63 -11.775 0.261 8.608 1.00 0.00 O ATOM 947 CB THR A 63 -14.826 1.912 8.366 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.147 2.810 9.232 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.285 1.779 8.807 1.00 0.00 C ATOM 0 H THR A 63 -14.125 0.938 10.519 1.00 0.00 H new ATOM 0 HA THR A 63 -14.655 -0.187 7.790 1.00 0.00 H new ATOM 0 HB THR A 63 -14.792 2.294 7.346 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.580 3.688 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.767 2.756 8.768 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.805 1.090 8.141 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.323 1.396 9.827 1.00 0.00 H new ATOM 957 N HIS A 64 -12.500 1.143 6.734 1.00 0.00 N ATOM 958 CA HIS A 64 -11.109 1.256 6.211 1.00 0.00 C ATOM 959 C HIS A 64 -10.341 2.318 7.004 1.00 0.00 C ATOM 960 O HIS A 64 -9.129 2.296 7.073 1.00 0.00 O ATOM 961 CB HIS A 64 -11.250 1.670 4.744 1.00 0.00 C ATOM 962 CG HIS A 64 -9.883 1.886 4.154 1.00 0.00 C ATOM 963 ND1 HIS A 64 -9.357 1.057 3.176 1.00 0.00 N ATOM 964 CD2 HIS A 64 -8.920 2.831 4.403 1.00 0.00 C ATOM 965 CE1 HIS A 64 -8.127 1.517 2.876 1.00 0.00 C ATOM 966 NE2 HIS A 64 -7.813 2.596 3.595 1.00 0.00 N ATOM 0 H HIS A 64 -13.232 1.479 6.108 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.557 0.321 6.305 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.782 0.899 4.186 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.840 2.583 4.667 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -9.817 0.247 2.760 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.008 3.635 5.118 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.474 1.067 2.143 1.00 0.00 H new ATOM 974 N ASP A 65 -11.036 3.241 7.611 1.00 0.00 N ATOM 975 CA ASP A 65 -10.338 4.292 8.404 1.00 0.00 C ATOM 976 C ASP A 65 -9.899 3.713 9.750 1.00 0.00 C ATOM 977 O ASP A 65 -8.821 3.991 10.236 1.00 0.00 O ATOM 978 CB ASP A 65 -11.376 5.395 8.605 1.00 0.00 C ATOM 979 CG ASP A 65 -11.522 6.198 7.311 1.00 0.00 C ATOM 980 OD1 ASP A 65 -10.620 6.959 7.005 1.00 0.00 O ATOM 981 OD2 ASP A 65 -12.533 6.035 6.648 1.00 0.00 O ATOM 0 H ASP A 65 -12.053 3.313 7.592 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.444 4.668 7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.335 4.960 8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.072 6.051 9.421 1.00 0.00 H new ATOM 986 N GLU A 66 -10.727 2.903 10.350 1.00 0.00 N ATOM 987 CA GLU A 66 -10.363 2.297 11.660 1.00 0.00 C ATOM 988 C GLU A 66 -9.165 1.359 11.487 1.00 0.00 C ATOM 989 O GLU A 66 -8.423 1.103 12.415 1.00 0.00 O ATOM 990 CB GLU A 66 -11.606 1.512 12.085 1.00 0.00 C ATOM 991 CG GLU A 66 -12.516 2.411 12.924 1.00 0.00 C ATOM 992 CD GLU A 66 -12.128 2.295 14.401 1.00 0.00 C ATOM 993 OE1 GLU A 66 -11.627 1.251 14.781 1.00 0.00 O ATOM 994 OE2 GLU A 66 -12.342 3.253 15.125 1.00 0.00 O ATOM 0 H GLU A 66 -11.642 2.635 9.988 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.078 3.043 12.402 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.141 1.154 11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.315 0.633 12.660 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.427 3.446 12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.558 2.121 12.787 1.00 0.00 H new ATOM 1001 N ALA A 67 -8.970 0.842 10.302 1.00 0.00 N ATOM 1002 CA ALA A 67 -7.821 -0.080 10.069 1.00 0.00 C ATOM 1003 C ALA A 67 -6.538 0.714 9.807 1.00 0.00 C ATOM 1004 O ALA A 67 -5.476 0.369 10.286 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.208 -0.889 8.830 1.00 0.00 C ATOM 0 H ALA A 67 -9.557 1.019 9.487 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.627 -0.716 10.933 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.411 -1.593 8.592 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.130 -1.437 9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.359 -0.214 7.988 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.624 1.771 9.049 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.404 2.579 8.754 1.00 0.00 C ATOM 1013 C VAL A 68 -5.010 3.378 9.999 1.00 0.00 C ATOM 1014 O VAL A 68 -3.854 3.682 10.214 1.00 0.00 O ATOM 1015 CB VAL A 68 -5.789 3.534 7.609 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.519 4.138 7.008 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.549 2.793 6.500 1.00 0.00 C ATOM 0 H VAL A 68 -7.485 2.112 8.620 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.558 1.951 8.475 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.433 4.313 8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.787 4.815 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.979 4.690 7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.885 3.341 6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.807 3.493 5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.920 2.000 6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.460 2.358 6.911 1.00 0.00 H new ATOM 1027 N GLN A 69 -5.967 3.712 10.824 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.651 4.484 12.060 1.00 0.00 C ATOM 1029 C GLN A 69 -4.790 3.636 12.994 1.00 0.00 C ATOM 1030 O GLN A 69 -3.854 4.120 13.600 1.00 0.00 O ATOM 1031 CB GLN A 69 -7.007 4.782 12.704 1.00 0.00 C ATOM 1032 CG GLN A 69 -7.241 6.294 12.729 1.00 0.00 C ATOM 1033 CD GLN A 69 -6.571 6.893 13.967 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -5.362 7.000 14.027 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -7.310 7.292 14.965 1.00 0.00 N ATOM 0 H GLN A 69 -6.953 3.484 10.695 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.095 5.398 11.848 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.803 4.290 12.145 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.035 4.382 13.718 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.836 6.751 11.826 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.310 6.507 12.742 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.325 7.203 14.916 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.873 7.693 15.795 1.00 0.00 H new ATOM 1044 N ALA A 70 -5.087 2.369 13.107 1.00 0.00 N ATOM 1045 CA ALA A 70 -4.271 1.496 13.992 1.00 0.00 C ATOM 1046 C ALA A 70 -2.879 1.336 13.385 1.00 0.00 C ATOM 1047 O ALA A 70 -1.874 1.523 14.042 1.00 0.00 O ATOM 1048 CB ALA A 70 -5.012 0.163 14.011 1.00 0.00 C ATOM 0 H ALA A 70 -5.857 1.904 12.626 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.145 1.898 14.997 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.475 -0.543 14.644 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.018 0.311 14.405 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.074 -0.233 12.997 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.821 1.009 12.126 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.506 0.853 11.453 1.00 0.00 C ATOM 1056 C LEU A 71 -0.722 2.167 11.558 1.00 0.00 C ATOM 1057 O LEU A 71 0.490 2.184 11.485 1.00 0.00 O ATOM 1058 CB LEU A 71 -1.851 0.529 9.993 1.00 0.00 C ATOM 1059 CG LEU A 71 -2.638 -0.784 9.931 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -2.936 -1.132 8.472 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -1.818 -1.909 10.568 1.00 0.00 C ATOM 0 H LEU A 71 -3.633 0.842 11.532 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.886 0.075 11.898 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.439 1.338 9.559 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.938 0.446 9.403 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.575 -0.668 10.476 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.496 -2.066 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.525 -0.334 8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.999 -1.244 7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.381 -2.841 10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.879 -2.026 10.027 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.609 -1.663 11.609 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.409 3.267 11.741 1.00 0.00 N ATOM 1074 CA LYS A 72 -0.706 4.577 11.863 1.00 0.00 C ATOM 1075 C LYS A 72 -0.102 4.708 13.264 1.00 0.00 C ATOM 1076 O LYS A 72 1.002 5.184 13.435 1.00 0.00 O ATOM 1077 CB LYS A 72 -1.792 5.631 11.639 1.00 0.00 C ATOM 1078 CG LYS A 72 -1.190 7.031 11.777 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.522 7.432 10.460 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.104 8.763 9.981 1.00 0.00 C ATOM 1081 NZ LYS A 72 -0.267 9.146 8.809 1.00 0.00 N ATOM 0 H LYS A 72 -2.426 3.313 11.811 1.00 0.00 H new ATOM 0 HA LYS A 72 0.111 4.685 11.150 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.231 5.510 10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.596 5.498 12.363 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.968 7.749 12.036 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.460 7.046 12.587 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.555 7.522 10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.683 6.660 9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.152 8.658 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.057 9.520 10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.604 10.051 8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.724 9.245 9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.337 8.410 8.077 1.00 0.00 H new ATOM 1095 N LYS A 73 -0.819 4.275 14.266 1.00 0.00 N ATOM 1096 CA LYS A 73 -0.288 4.356 15.655 1.00 0.00 C ATOM 1097 C LYS A 73 -0.163 2.946 16.233 1.00 0.00 C ATOM 1098 O LYS A 73 -0.841 2.586 17.175 1.00 0.00 O ATOM 1099 CB LYS A 73 -1.324 5.168 16.435 1.00 0.00 C ATOM 1100 CG LYS A 73 -0.935 5.207 17.915 1.00 0.00 C ATOM 1101 CD LYS A 73 -0.558 6.636 18.307 1.00 0.00 C ATOM 1102 CE LYS A 73 -1.809 7.515 18.288 1.00 0.00 C ATOM 1103 NZ LYS A 73 -1.517 8.573 17.279 1.00 0.00 N ATOM 0 H LYS A 73 -1.751 3.868 14.181 1.00 0.00 H new ATOM 0 HA LYS A 73 0.698 4.818 15.701 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.382 6.181 16.037 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.312 4.723 16.320 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.765 4.857 18.529 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.097 4.535 18.099 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.108 6.646 19.300 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.187 7.030 17.616 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.693 6.939 18.013 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.003 7.947 19.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.032 9.442 17.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.496 8.768 17.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.819 8.249 16.338 1.00 0.00 H new ATOM 1117 N THR A 74 0.693 2.142 15.666 1.00 0.00 N ATOM 1118 CA THR A 74 0.857 0.749 16.174 1.00 0.00 C ATOM 1119 C THR A 74 1.794 0.742 17.386 1.00 0.00 C ATOM 1120 O THR A 74 2.367 1.751 17.744 1.00 0.00 O ATOM 1121 CB THR A 74 1.472 -0.041 15.012 1.00 0.00 C ATOM 1122 OG1 THR A 74 2.814 0.382 14.812 1.00 0.00 O ATOM 1123 CG2 THR A 74 0.667 0.188 13.730 1.00 0.00 C ATOM 0 H THR A 74 1.286 2.388 14.873 1.00 0.00 H new ATOM 0 HA THR A 74 -0.090 0.315 16.496 1.00 0.00 H new ATOM 0 HB THR A 74 1.453 -1.103 15.255 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.052 0.280 13.867 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.114 -0.378 12.913 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.360 -0.143 13.881 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.673 1.249 13.481 1.00 0.00 H new ATOM 1131 N GLY A 75 1.954 -0.388 18.019 1.00 0.00 N ATOM 1132 CA GLY A 75 2.852 -0.457 19.206 1.00 0.00 C ATOM 1133 C GLY A 75 4.227 -0.978 18.778 1.00 0.00 C ATOM 1134 O GLY A 75 4.485 -1.181 17.607 1.00 0.00 O ATOM 0 H GLY A 75 1.502 -1.266 17.765 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.950 0.530 19.659 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.422 -1.113 19.963 1.00 0.00 H new ATOM 1138 N LYS A 76 5.115 -1.197 19.715 1.00 0.00 N ATOM 1139 CA LYS A 76 6.475 -1.706 19.359 1.00 0.00 C ATOM 1140 C LYS A 76 6.369 -2.908 18.412 1.00 0.00 C ATOM 1141 O LYS A 76 7.154 -3.061 17.499 1.00 0.00 O ATOM 1142 CB LYS A 76 7.098 -2.125 20.691 1.00 0.00 C ATOM 1143 CG LYS A 76 7.605 -0.884 21.430 1.00 0.00 C ATOM 1144 CD LYS A 76 6.745 -0.640 22.671 1.00 0.00 C ATOM 1145 CE LYS A 76 7.550 0.156 23.702 1.00 0.00 C ATOM 1146 NZ LYS A 76 6.668 1.298 24.075 1.00 0.00 N ATOM 0 H LYS A 76 4.957 -1.045 20.711 1.00 0.00 H new ATOM 0 HA LYS A 76 7.073 -0.955 18.844 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.361 -2.649 21.300 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.920 -2.819 20.518 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.647 -1.020 21.718 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.567 -0.016 20.772 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.842 -0.094 22.399 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.426 -1.591 23.098 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.794 -0.455 24.571 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.494 0.505 23.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.149 1.892 24.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.458 1.865 23.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.780 0.934 24.477 1.00 0.00 H new ATOM 1160 N GLU A 77 5.398 -3.753 18.622 1.00 0.00 N ATOM 1161 CA GLU A 77 5.234 -4.941 17.731 1.00 0.00 C ATOM 1162 C GLU A 77 3.884 -4.869 17.009 1.00 0.00 C ATOM 1163 O GLU A 77 2.848 -5.155 17.573 1.00 0.00 O ATOM 1164 CB GLU A 77 5.301 -6.170 18.651 1.00 0.00 C ATOM 1165 CG GLU A 77 4.422 -5.966 19.893 1.00 0.00 C ATOM 1166 CD GLU A 77 4.145 -7.322 20.547 1.00 0.00 C ATOM 1167 OE1 GLU A 77 5.095 -7.956 20.975 1.00 0.00 O ATOM 1168 OE2 GLU A 77 2.987 -7.701 20.609 1.00 0.00 O ATOM 0 H GLU A 77 4.710 -3.674 19.371 1.00 0.00 H new ATOM 0 HA GLU A 77 6.006 -4.986 16.963 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.972 -7.056 18.108 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.333 -6.348 18.955 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.921 -5.304 20.600 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.484 -5.486 19.614 1.00 0.00 H new ATOM 1175 N VAL A 78 3.886 -4.476 15.764 1.00 0.00 N ATOM 1176 CA VAL A 78 2.601 -4.374 15.017 1.00 0.00 C ATOM 1177 C VAL A 78 1.988 -5.760 14.798 1.00 0.00 C ATOM 1178 O VAL A 78 1.983 -6.279 13.700 1.00 0.00 O ATOM 1179 CB VAL A 78 2.975 -3.733 13.681 1.00 0.00 C ATOM 1180 CG1 VAL A 78 1.716 -3.552 12.828 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.616 -2.367 13.933 1.00 0.00 C ATOM 0 H VAL A 78 4.719 -4.222 15.234 1.00 0.00 H new ATOM 0 HA VAL A 78 1.857 -3.791 15.560 1.00 0.00 H new ATOM 0 HB VAL A 78 3.680 -4.377 13.156 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.984 -3.095 11.876 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.256 -4.524 12.647 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.010 -2.909 13.353 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.883 -1.909 12.981 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.909 -1.725 14.459 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.513 -2.492 14.539 1.00 0.00 H new ATOM 1191 N VAL A 79 1.449 -6.352 15.830 1.00 0.00 N ATOM 1192 CA VAL A 79 0.814 -7.688 15.668 1.00 0.00 C ATOM 1193 C VAL A 79 -0.463 -7.499 14.841 1.00 0.00 C ATOM 1194 O VAL A 79 -1.433 -6.959 15.316 1.00 0.00 O ATOM 1195 CB VAL A 79 0.525 -8.144 17.117 1.00 0.00 C ATOM 1196 CG1 VAL A 79 -0.743 -9.011 17.198 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.717 -8.955 17.631 1.00 0.00 C ATOM 0 H VAL A 79 1.422 -5.968 16.775 1.00 0.00 H new ATOM 0 HA VAL A 79 1.421 -8.431 15.150 1.00 0.00 H new ATOM 0 HB VAL A 79 0.368 -7.255 17.728 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.913 -9.312 18.232 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.599 -8.438 16.842 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.617 -9.899 16.578 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.522 -9.281 18.653 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.866 -9.827 16.994 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.614 -8.335 17.613 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.462 -7.903 13.603 1.00 0.00 N ATOM 1208 CA LEU A 80 -1.675 -7.689 12.766 1.00 0.00 C ATOM 1209 C LEU A 80 -2.344 -9.006 12.369 1.00 0.00 C ATOM 1210 O LEU A 80 -1.767 -9.831 11.687 1.00 0.00 O ATOM 1211 CB LEU A 80 -1.147 -6.961 11.526 1.00 0.00 C ATOM 1212 CG LEU A 80 -1.355 -5.440 11.651 1.00 0.00 C ATOM 1213 CD1 LEU A 80 -0.950 -4.945 13.044 1.00 0.00 C ATOM 1214 CD2 LEU A 80 -0.493 -4.730 10.605 1.00 0.00 C ATOM 0 H LEU A 80 0.317 -8.368 13.137 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.440 -7.128 13.303 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.087 -7.178 11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.659 -7.330 10.637 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.411 -5.220 11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.106 -3.868 13.107 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.558 -5.445 13.799 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.102 -5.170 13.218 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.635 -3.652 10.687 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.556 -4.972 10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.786 -5.059 9.608 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.580 -9.188 12.759 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.309 -10.424 12.365 1.00 0.00 C ATOM 1228 C GLU A 81 -4.654 -10.300 10.884 1.00 0.00 C ATOM 1229 O GLU A 81 -5.105 -9.262 10.441 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.579 -10.442 13.217 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.240 -11.819 13.118 1.00 0.00 C ATOM 1232 CD GLU A 81 -5.281 -12.885 13.651 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -4.962 -12.833 14.828 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -4.881 -13.737 12.874 1.00 0.00 O ATOM 0 H GLU A 81 -4.112 -8.533 13.332 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.734 -11.338 12.516 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.336 -10.217 14.256 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.269 -9.670 12.877 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.168 -11.831 13.690 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.501 -12.035 12.082 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.422 -11.314 10.102 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.715 -11.190 8.648 1.00 0.00 C ATOM 1243 C VAL A 82 -5.441 -12.424 8.109 1.00 0.00 C ATOM 1244 O VAL A 82 -5.168 -13.543 8.487 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.332 -11.024 7.977 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.341 -12.052 8.519 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.439 -11.232 6.469 1.00 0.00 C ATOM 0 H VAL A 82 -4.047 -12.214 10.401 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.378 -10.349 8.443 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.984 -10.015 8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.375 -11.917 8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.228 -11.917 9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.712 -13.057 8.316 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.456 -11.111 6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.812 -12.236 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.126 -10.498 6.048 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.334 -12.207 7.187 1.00 0.00 N ATOM 1258 CA LYS A 83 -7.060 -13.335 6.554 1.00 0.00 C ATOM 1259 C LYS A 83 -6.518 -13.484 5.134 1.00 0.00 C ATOM 1260 O LYS A 83 -7.027 -12.899 4.199 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.531 -12.918 6.540 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.404 -14.133 6.217 1.00 0.00 C ATOM 1263 CD LYS A 83 -10.118 -14.600 7.487 1.00 0.00 C ATOM 1264 CE LYS A 83 -11.618 -14.326 7.361 1.00 0.00 C ATOM 1265 NZ LYS A 83 -12.239 -15.077 8.488 1.00 0.00 N ATOM 0 H LYS A 83 -6.594 -11.283 6.842 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.940 -14.285 7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.811 -12.503 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.691 -12.135 5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.134 -13.876 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.790 -14.939 5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.944 -15.665 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.714 -14.080 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.832 -13.260 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.003 -14.666 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.270 -14.939 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.023 -16.090 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.858 -14.727 9.390 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.456 -14.225 4.977 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.848 -14.374 3.625 1.00 0.00 C ATOM 1281 C TYR A 84 -5.891 -14.854 2.614 1.00 0.00 C ATOM 1282 O TYR A 84 -6.501 -15.892 2.780 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.742 -15.426 3.796 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.551 -15.153 2.882 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.607 -14.183 1.860 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.372 -15.887 3.070 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.493 -13.960 1.044 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -0.261 -15.662 2.251 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.321 -14.698 1.239 1.00 0.00 C ATOM 1290 OH TYR A 84 0.777 -14.475 0.433 1.00 0.00 O ATOM 0 H TYR A 84 -4.984 -14.733 5.725 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.459 -13.428 3.248 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.408 -15.437 4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.146 -16.415 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.511 -13.612 1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.321 -16.630 3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.538 -13.217 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.644 -16.233 2.400 1.00 0.00 H new ATOM 0 HH TYR A 84 1.345 -13.787 0.838 1.00 0.00 H new ATOM 1300 N MET A 85 -6.092 -14.112 1.561 1.00 0.00 N ATOM 1301 CA MET A 85 -7.085 -14.533 0.533 1.00 0.00 C ATOM 1302 C MET A 85 -6.359 -14.907 -0.760 1.00 0.00 C ATOM 1303 O MET A 85 -6.673 -14.420 -1.828 1.00 0.00 O ATOM 1304 CB MET A 85 -7.988 -13.317 0.316 1.00 0.00 C ATOM 1305 CG MET A 85 -8.883 -13.122 1.542 1.00 0.00 C ATOM 1306 SD MET A 85 -10.548 -13.732 1.177 1.00 0.00 S ATOM 1307 CE MET A 85 -11.434 -12.195 1.533 1.00 0.00 C ATOM 0 H MET A 85 -5.612 -13.233 1.368 1.00 0.00 H new ATOM 0 HA MET A 85 -7.661 -15.404 0.844 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.383 -12.426 0.149 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.599 -13.459 -0.575 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.468 -13.656 2.397 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.922 -12.067 1.813 1.00 0.00 H new ATOM 0 HE1 MET A 85 -12.507 -12.363 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 85 -11.205 -11.870 2.548 1.00 0.00 H new ATOM 0 HE3 MET A 85 -11.125 -11.425 0.826 1.00 0.00 H new ATOM 1317 N LYS A 86 -5.385 -15.771 -0.667 1.00 0.00 N ATOM 1318 CA LYS A 86 -4.628 -16.180 -1.883 1.00 0.00 C ATOM 1319 C LYS A 86 -5.510 -17.038 -2.793 1.00 0.00 C ATOM 1320 O LYS A 86 -5.024 -17.460 -3.830 1.00 0.00 O ATOM 1321 CB LYS A 86 -3.444 -16.993 -1.358 1.00 0.00 C ATOM 1322 CG LYS A 86 -3.961 -18.172 -0.531 1.00 0.00 C ATOM 1323 CD LYS A 86 -3.047 -19.382 -0.744 1.00 0.00 C ATOM 1324 CE LYS A 86 -2.931 -20.170 0.563 1.00 0.00 C ATOM 1325 NZ LYS A 86 -2.259 -21.444 0.180 1.00 0.00 N ATOM 1326 OXT LYS A 86 -6.654 -17.261 -2.436 1.00 0.00 O ATOM 0 H LYS A 86 -5.081 -16.212 0.201 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.303 -15.324 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.841 -17.356 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.798 -16.362 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.989 -17.905 0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.982 -18.417 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.448 -20.020 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.061 -19.053 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.349 -19.623 1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.911 -20.356 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.142 -22.042 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.840 -21.945 -0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.326 -21.235 -0.228 1.00 0.00 H new ATOM 1341 N LYS B 3 -10.219 2.412 -1.359 1.00 0.00 N ATOM 1342 CA LYS B 3 -9.452 3.436 -0.594 1.00 0.00 C ATOM 1343 C LYS B 3 -7.995 3.001 -0.438 1.00 0.00 C ATOM 1344 O LYS B 3 -7.507 2.828 0.657 1.00 0.00 O ATOM 1345 CB LYS B 3 -10.138 3.506 0.771 1.00 0.00 C ATOM 1346 CG LYS B 3 -9.589 4.697 1.560 1.00 0.00 C ATOM 1347 CD LYS B 3 -10.624 5.146 2.594 1.00 0.00 C ATOM 1348 CE LYS B 3 -10.062 6.315 3.404 1.00 0.00 C ATOM 1349 NZ LYS B 3 -11.256 6.958 4.023 1.00 0.00 N ATOM 0 HA LYS B 3 -9.442 4.403 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -11.216 3.607 0.643 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -9.968 2.582 1.323 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -8.659 4.420 2.057 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -9.356 5.519 0.883 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -11.546 5.445 2.095 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -10.875 4.318 3.257 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -9.361 5.969 4.163 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -9.522 7.015 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -11.054 7.179 5.019 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -11.481 7.836 3.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -12.067 6.309 3.970 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.297 2.822 -1.526 1.00 0.00 N ATOM 1364 CA GLU B 4 -5.870 2.398 -1.434 1.00 0.00 C ATOM 1365 C GLU B 4 -5.066 3.403 -0.603 1.00 0.00 C ATOM 1366 O GLU B 4 -4.480 4.328 -1.127 1.00 0.00 O ATOM 1367 CB GLU B 4 -5.369 2.381 -2.879 1.00 0.00 C ATOM 1368 CG GLU B 4 -4.099 1.533 -2.969 1.00 0.00 C ATOM 1369 CD GLU B 4 -3.095 2.215 -3.902 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -3.505 2.651 -4.965 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -1.933 2.290 -3.537 1.00 0.00 O ATOM 0 H GLU B 4 -7.652 2.951 -2.474 1.00 0.00 H new ATOM 0 HA GLU B 4 -5.761 1.428 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.137 1.975 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.165 3.397 -3.216 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -3.663 1.406 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -4.339 0.537 -3.341 1.00 0.00 H new ATOM 1378 N SER B 5 -5.033 3.228 0.690 1.00 0.00 N ATOM 1379 CA SER B 5 -4.267 4.172 1.552 1.00 0.00 C ATOM 1380 C SER B 5 -2.834 3.668 1.729 1.00 0.00 C ATOM 1381 O SER B 5 -2.374 2.823 0.995 1.00 0.00 O ATOM 1382 CB SER B 5 -5.004 4.176 2.891 1.00 0.00 C ATOM 1383 OG SER B 5 -5.563 5.461 3.120 1.00 0.00 O ATOM 0 H SER B 5 -5.504 2.472 1.187 1.00 0.00 H new ATOM 0 HA SER B 5 -4.205 5.172 1.122 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.790 3.421 2.888 1.00 0.00 H new ATOM 0 HB3 SER B 5 -4.317 3.918 3.697 1.00 0.00 H new ATOM 0 HG SER B 5 -6.037 5.463 3.978 1.00 0.00 H new ATOM 1389 N LEU B 6 -2.126 4.177 2.699 1.00 0.00 N ATOM 1390 CA LEU B 6 -0.725 3.715 2.917 1.00 0.00 C ATOM 1391 C LEU B 6 -0.251 4.122 4.315 1.00 0.00 C ATOM 1392 O LEU B 6 -0.230 5.287 4.661 1.00 0.00 O ATOM 1393 CB LEU B 6 0.099 4.412 1.823 1.00 0.00 C ATOM 1394 CG LEU B 6 1.597 4.243 2.098 1.00 0.00 C ATOM 1395 CD1 LEU B 6 1.993 2.780 1.904 1.00 0.00 C ATOM 1396 CD2 LEU B 6 2.394 5.123 1.135 1.00 0.00 C ATOM 0 H LEU B 6 -2.455 4.891 3.349 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.626 2.631 2.859 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.149 3.992 0.848 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.154 5.472 1.787 1.00 0.00 H new ATOM 0 HG LEU B 6 1.813 4.541 3.124 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.059 2.662 2.100 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.426 2.155 2.594 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.777 2.477 0.879 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.460 5.003 1.330 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.178 4.828 0.108 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.114 6.166 1.279 1.00 0.00 H new ATOM 1408 N VAL B 7 0.133 3.169 5.118 1.00 0.00 N ATOM 1409 CA VAL B 7 0.610 3.493 6.490 1.00 0.00 C ATOM 1410 C VAL B 7 2.072 3.069 6.652 1.00 0.00 C ATOM 1411 O VAL B 7 2.701 3.521 7.595 1.00 0.00 O ATOM 1412 CB VAL B 7 -0.292 2.684 7.420 1.00 0.00 C ATOM 1413 CG1 VAL B 7 0.127 2.923 8.870 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.746 3.121 7.230 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.538 2.299 5.828 1.00 0.00 O ATOM 0 H VAL B 7 0.137 2.177 4.882 1.00 0.00 H new ATOM 0 HA VAL B 7 0.564 4.560 6.706 1.00 0.00 H new ATOM 0 HB VAL B 7 -0.199 1.624 7.185 1.00 0.00 H new ATOM 0 HG11 VAL B 7 -0.516 2.346 9.534 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.162 2.611 9.006 1.00 0.00 H new ATOM 0 HG13 VAL B 7 0.034 3.983 9.106 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -2.389 2.543 7.894 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -1.841 4.181 7.465 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -2.045 2.950 6.196 1.00 0.00 H new