USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 ASN : amide:sc= 0.321 X(o=0.87,f=1.1) USER MOD Set 1.2: A 71 CYS SG : rot 117:sc= 0.546 USER MOD Set 2.1: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 63 GLN : amide:sc= -3.12 K(o=-2.4,f=-11!) USER MOD Set 2.3: A 70 TYR OH : rot -58:sc= 0.72 USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= 0.00762 USER MOD Set 3.2: A 41 SER OG : rot 132:sc= -1.5! 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 2 SER OG : rot 180:sc= -0.0091 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.508 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 12 THR OG1 : rot -138:sc= -0.67 USER MOD Single : A 14 SER OG : rot -124:sc= 1.12 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 91:sc= 0.464 USER MOD Single : A 20 GLN : amide:sc= -3.13 K(o=-3.1,f=-7.3!) USER MOD Single : A 21 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.018) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 31 LYS NZ :NH3+ 147:sc= -1.48 (180deg=-5.28!) USER MOD Single : A 34 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.34) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.991 USER MOD Single : A 36 GLN : amide:sc= -1.69 K(o=-1.7,f=-5.5!) USER MOD Single : A 42 GLN : amide:sc= -2.03 X(o=-2,f=-1.7) USER MOD Single : A 44 ASN : amide:sc= -1.02 K(o=-1,f=-0.21) USER MOD Single : A 50 MET CE :methyl 168:sc= -1.92 (180deg=-2.26!) USER MOD Single : A 56 ASN : amide:sc= -3.78! C(o=-3.8!,f=-3.7!) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.182) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.202 K(o=-0.2,f=-0.9) USER MOD Single : A 85 THR OG1 : rot 170:sc= -1.33 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.539 -0.770 -5.246 1.00 0.00 N ATOM 2 CA MET A 1 18.722 -0.436 -4.050 1.00 0.00 C ATOM 3 C MET A 1 17.324 0.026 -4.448 1.00 0.00 C ATOM 4 O MET A 1 17.167 0.887 -5.314 1.00 0.00 O ATOM 5 CB MET A 1 19.437 0.664 -3.263 1.00 0.00 C ATOM 6 CG MET A 1 20.411 0.133 -2.224 1.00 0.00 C ATOM 7 SD MET A 1 20.478 1.162 -0.745 1.00 0.00 S ATOM 8 CE MET A 1 20.347 -0.080 0.539 1.00 0.00 C ATOM 0 H1 MET A 1 20.485 -1.081 -4.945 1.00 0.00 H new ATOM 0 H2 MET A 1 19.077 -1.534 -5.780 1.00 0.00 H new ATOM 0 H3 MET A 1 19.628 0.071 -5.852 1.00 0.00 H new ATOM 0 HA MET A 1 18.610 -1.328 -3.433 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.976 1.306 -3.960 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.693 1.287 -2.767 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.121 -0.880 -1.944 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.406 0.070 -2.664 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.374 0.403 1.516 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.407 -0.621 0.427 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.180 -0.778 0.456 1.00 0.00 H new ATOM 20 N SER A 2 16.311 -0.553 -3.811 1.00 0.00 N ATOM 21 CA SER A 2 14.925 -0.202 -4.099 1.00 0.00 C ATOM 22 C SER A 2 14.209 0.264 -2.835 1.00 0.00 C ATOM 23 O SER A 2 14.795 0.295 -1.753 1.00 0.00 O ATOM 24 CB SER A 2 14.189 -1.398 -4.704 1.00 0.00 C ATOM 25 OG SER A 2 12.944 -1.005 -5.257 1.00 0.00 O ATOM 0 H SER A 2 16.424 -1.267 -3.092 1.00 0.00 H new ATOM 0 HA SER A 2 14.925 0.617 -4.818 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.806 -1.855 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.027 -2.155 -3.937 1.00 0.00 H new ATOM 0 HG SER A 2 12.494 -1.787 -5.639 1.00 0.00 H new ATOM 31 N GLY A 3 12.938 0.626 -2.981 1.00 0.00 N ATOM 32 CA GLY A 3 12.163 1.086 -1.843 1.00 0.00 C ATOM 33 C GLY A 3 10.669 0.988 -2.081 1.00 0.00 C ATOM 34 O GLY A 3 10.204 1.118 -3.214 1.00 0.00 O ATOM 0 H GLY A 3 12.431 0.609 -3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.427 0.496 -0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.426 2.121 -1.623 1.00 0.00 H new ATOM 38 N LEU A 4 9.915 0.759 -1.011 1.00 0.00 N ATOM 39 CA LEU A 4 8.464 0.644 -1.107 1.00 0.00 C ATOM 40 C LEU A 4 7.779 1.581 -0.117 1.00 0.00 C ATOM 41 O LEU A 4 8.317 1.872 0.951 1.00 0.00 O ATOM 42 CB LEU A 4 8.028 -0.799 -0.849 1.00 0.00 C ATOM 43 CG LEU A 4 8.381 -1.791 -1.958 1.00 0.00 C ATOM 44 CD1 LEU A 4 8.713 -3.154 -1.371 1.00 0.00 C ATOM 45 CD2 LEU A 4 7.238 -1.902 -2.956 1.00 0.00 C ATOM 0 H LEU A 4 10.285 0.649 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 4 8.166 0.930 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.484 -1.139 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.949 -0.815 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 4 9.262 -1.421 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.961 -3.846 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.564 -3.062 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.852 -3.532 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.506 -2.612 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.340 -2.248 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.048 -0.926 -3.402 1.00 0.00 H new ATOM 57 N ARG A 5 6.589 2.050 -0.479 1.00 0.00 N ATOM 58 CA ARG A 5 5.831 2.955 0.379 1.00 0.00 C ATOM 59 C ARG A 5 4.349 2.595 0.373 1.00 0.00 C ATOM 60 O ARG A 5 3.700 2.618 -0.672 1.00 0.00 O ATOM 61 CB ARG A 5 6.014 4.408 -0.073 1.00 0.00 C ATOM 62 CG ARG A 5 7.362 4.688 -0.719 1.00 0.00 C ATOM 63 CD ARG A 5 7.733 6.159 -0.620 1.00 0.00 C ATOM 64 NE ARG A 5 7.024 6.970 -1.607 1.00 0.00 N ATOM 65 CZ ARG A 5 7.290 8.252 -1.843 1.00 0.00 C ATOM 66 NH1 ARG A 5 8.248 8.874 -1.166 1.00 0.00 N ATOM 67 NH2 ARG A 5 6.598 8.915 -2.759 1.00 0.00 N ATOM 0 H ARG A 5 6.129 1.819 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 5 6.212 2.850 1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.224 4.660 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.892 5.064 0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.130 4.085 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.334 4.389 -1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.504 6.524 0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.808 6.272 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 5 6.281 6.527 -2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.784 8.369 -0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.448 9.857 -1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.862 8.442 -3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.802 9.898 -2.940 1.00 0.00 H new ATOM 81 N VAL A 6 3.820 2.264 1.546 1.00 0.00 N ATOM 82 CA VAL A 6 2.414 1.901 1.674 1.00 0.00 C ATOM 83 C VAL A 6 1.622 3.008 2.361 1.00 0.00 C ATOM 84 O VAL A 6 1.924 3.391 3.491 1.00 0.00 O ATOM 85 CB VAL A 6 2.242 0.591 2.466 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.788 0.142 2.450 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.148 -0.494 1.905 1.00 0.00 C ATOM 0 H VAL A 6 4.344 2.240 2.421 1.00 0.00 H new ATOM 0 HA VAL A 6 2.030 1.757 0.664 1.00 0.00 H new ATOM 0 HB VAL A 6 2.529 0.774 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.687 -0.785 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.164 0.913 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.470 -0.024 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.013 -1.412 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.894 -0.676 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.187 -0.172 1.975 1.00 0.00 H new ATOM 97 N TYR A 7 0.607 3.518 1.671 1.00 0.00 N ATOM 98 CA TYR A 7 -0.229 4.581 2.214 1.00 0.00 C ATOM 99 C TYR A 7 -1.265 4.018 3.180 1.00 0.00 C ATOM 100 O TYR A 7 -1.805 2.933 2.964 1.00 0.00 O ATOM 101 CB TYR A 7 -0.932 5.336 1.083 1.00 0.00 C ATOM 102 CG TYR A 7 -0.139 6.502 0.536 1.00 0.00 C ATOM 103 CD1 TYR A 7 -0.230 7.762 1.115 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.697 6.345 -0.562 1.00 0.00 C ATOM 105 CE1 TYR A 7 0.490 8.831 0.616 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.421 7.409 -1.066 1.00 0.00 C ATOM 107 CZ TYR A 7 1.314 8.649 -0.474 1.00 0.00 C ATOM 108 OH TYR A 7 2.033 9.710 -0.973 1.00 0.00 O ATOM 0 H TYR A 7 0.344 3.212 0.734 1.00 0.00 H new ATOM 0 HA TYR A 7 0.415 5.271 2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.142 4.640 0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.893 5.702 1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.874 7.908 1.969 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.783 5.375 -1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.407 9.804 1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.068 7.269 -1.920 1.00 0.00 H new ATOM 0 HH TYR A 7 2.564 9.413 -1.741 1.00 0.00 H new ATOM 118 N SER A 8 -1.538 4.764 4.244 1.00 0.00 N ATOM 119 CA SER A 8 -2.510 4.340 5.243 1.00 0.00 C ATOM 120 C SER A 8 -3.000 5.528 6.064 1.00 0.00 C ATOM 121 O SER A 8 -2.524 6.650 5.895 1.00 0.00 O ATOM 122 CB SER A 8 -1.898 3.284 6.166 1.00 0.00 C ATOM 123 OG SER A 8 -2.751 3.006 7.263 1.00 0.00 O ATOM 0 H SER A 8 -1.100 5.665 4.437 1.00 0.00 H new ATOM 0 HA SER A 8 -3.363 3.905 4.722 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.714 2.368 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.932 3.633 6.532 1.00 0.00 H new ATOM 0 HG SER A 8 -2.337 2.327 7.836 1.00 0.00 H new ATOM 129 N THR A 9 -3.955 5.274 6.952 1.00 0.00 N ATOM 130 CA THR A 9 -4.509 6.324 7.799 1.00 0.00 C ATOM 131 C THR A 9 -4.419 5.938 9.272 1.00 0.00 C ATOM 132 O THR A 9 -4.984 4.930 9.696 1.00 0.00 O ATOM 133 CB THR A 9 -5.965 6.598 7.420 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.546 7.537 8.308 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.831 5.357 7.434 1.00 0.00 C ATOM 0 H THR A 9 -4.361 4.351 7.104 1.00 0.00 H new ATOM 0 HA THR A 9 -3.923 7.230 7.643 1.00 0.00 H new ATOM 0 HB THR A 9 -5.930 6.986 6.402 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.477 7.700 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.851 5.622 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.438 4.631 6.722 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.829 4.923 8.434 1.00 0.00 H new ATOM 143 N SER A 10 -3.704 6.748 10.048 1.00 0.00 N ATOM 144 CA SER A 10 -3.540 6.492 11.475 1.00 0.00 C ATOM 145 C SER A 10 -4.894 6.402 12.171 1.00 0.00 C ATOM 146 O SER A 10 -5.269 5.349 12.687 1.00 0.00 O ATOM 147 CB SER A 10 -2.695 7.594 12.117 1.00 0.00 C ATOM 148 OG SER A 10 -1.671 8.030 11.239 1.00 0.00 O ATOM 0 H SER A 10 -3.230 7.586 9.713 1.00 0.00 H new ATOM 0 HA SER A 10 -3.029 5.537 11.592 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.333 8.437 12.383 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.252 7.225 13.042 1.00 0.00 H new ATOM 0 HG SER A 10 -1.147 8.735 11.673 1.00 0.00 H new ATOM 154 N VAL A 11 -5.624 7.513 12.181 1.00 0.00 N ATOM 155 CA VAL A 11 -6.937 7.558 12.812 1.00 0.00 C ATOM 156 C VAL A 11 -8.004 6.967 11.895 1.00 0.00 C ATOM 157 O VAL A 11 -8.432 7.602 10.931 1.00 0.00 O ATOM 158 CB VAL A 11 -7.330 9.001 13.190 1.00 0.00 C ATOM 159 CG1 VAL A 11 -7.374 9.889 11.955 1.00 0.00 C ATOM 160 CG2 VAL A 11 -8.666 9.020 13.919 1.00 0.00 C ATOM 0 H VAL A 11 -5.328 8.393 11.759 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.876 6.961 13.722 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.570 9.397 13.864 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.653 10.902 12.245 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.392 9.904 11.483 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.109 9.498 11.251 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.925 10.047 14.177 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.439 8.602 13.274 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.592 8.425 14.829 1.00 0.00 H new ATOM 170 N THR A 12 -8.427 5.744 12.201 1.00 0.00 N ATOM 171 CA THR A 12 -9.441 5.065 11.404 1.00 0.00 C ATOM 172 C THR A 12 -10.838 5.338 11.952 1.00 0.00 C ATOM 173 O THR A 12 -10.998 5.721 13.110 1.00 0.00 O ATOM 174 CB THR A 12 -9.176 3.559 11.382 1.00 0.00 C ATOM 175 OG1 THR A 12 -8.685 3.118 12.635 1.00 0.00 O ATOM 176 CG2 THR A 12 -8.177 3.142 10.325 1.00 0.00 C ATOM 0 H THR A 12 -8.083 5.204 12.995 1.00 0.00 H new ATOM 0 HA THR A 12 -9.387 5.453 10.387 1.00 0.00 H new ATOM 0 HB THR A 12 -10.137 3.100 11.151 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.957 2.477 12.494 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.035 2.062 10.364 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.550 3.424 9.340 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.225 3.640 10.508 1.00 0.00 H new ATOM 184 N GLY A 13 -11.847 5.138 11.109 1.00 0.00 N ATOM 185 CA GLY A 13 -13.218 5.367 11.526 1.00 0.00 C ATOM 186 C GLY A 13 -14.148 4.248 11.101 1.00 0.00 C ATOM 187 O GLY A 13 -14.989 3.800 11.881 1.00 0.00 O ATOM 0 H GLY A 13 -11.739 4.822 10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.252 5.471 12.610 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.570 6.308 11.104 1.00 0.00 H new ATOM 191 N SER A 14 -13.998 3.795 9.860 1.00 0.00 N ATOM 192 CA SER A 14 -14.832 2.721 9.332 1.00 0.00 C ATOM 193 C SER A 14 -14.400 1.371 9.896 1.00 0.00 C ATOM 194 O SER A 14 -13.630 1.305 10.854 1.00 0.00 O ATOM 195 CB SER A 14 -14.760 2.698 7.804 1.00 0.00 C ATOM 196 OG SER A 14 -16.036 2.455 7.237 1.00 0.00 O ATOM 0 H SER A 14 -13.307 4.155 9.202 1.00 0.00 H new ATOM 0 HA SER A 14 -15.862 2.908 9.637 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.372 3.650 7.441 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.062 1.925 7.481 1.00 0.00 H new ATOM 0 HG SER A 14 -15.989 1.673 6.648 1.00 0.00 H new ATOM 202 N ARG A 15 -14.902 0.296 9.296 1.00 0.00 N ATOM 203 CA ARG A 15 -14.567 -1.056 9.739 1.00 0.00 C ATOM 204 C ARG A 15 -13.678 -1.767 8.735 1.00 0.00 C ATOM 205 O ARG A 15 -13.073 -2.798 9.028 1.00 0.00 O ATOM 206 CB ARG A 15 -15.837 -1.866 9.972 1.00 0.00 C ATOM 207 CG ARG A 15 -15.609 -3.146 10.762 1.00 0.00 C ATOM 208 CD ARG A 15 -16.024 -4.378 9.972 1.00 0.00 C ATOM 209 NE ARG A 15 -15.201 -4.569 8.779 1.00 0.00 N ATOM 210 CZ ARG A 15 -15.575 -4.223 7.547 1.00 0.00 C ATOM 211 NH1 ARG A 15 -16.758 -3.658 7.331 1.00 0.00 N ATOM 212 NH2 ARG A 15 -14.760 -4.442 6.524 1.00 0.00 N ATOM 0 H ARG A 15 -15.542 0.333 8.502 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.017 -0.970 10.676 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.561 -1.246 10.502 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.279 -2.118 9.008 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -14.556 -3.224 11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.174 -3.104 11.693 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.948 -5.259 10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -17.070 -4.285 9.679 1.00 0.00 H new ATOM 0 HE ARG A 15 -14.281 -4.994 8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -17.391 -3.485 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -17.033 -3.397 6.384 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.849 -4.874 6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.044 -4.178 5.580 1.00 0.00 H new ATOM 226 N GLU A 16 -13.610 -1.195 7.559 1.00 0.00 N ATOM 227 CA GLU A 16 -12.799 -1.735 6.475 1.00 0.00 C ATOM 228 C GLU A 16 -11.481 -0.977 6.365 1.00 0.00 C ATOM 229 O GLU A 16 -10.459 -1.538 5.971 1.00 0.00 O ATOM 230 CB GLU A 16 -13.560 -1.656 5.150 1.00 0.00 C ATOM 231 CG GLU A 16 -14.076 -0.264 4.826 1.00 0.00 C ATOM 232 CD GLU A 16 -15.562 -0.116 5.088 1.00 0.00 C ATOM 233 OE1 GLU A 16 -15.936 0.150 6.250 1.00 0.00 O ATOM 234 OE2 GLU A 16 -16.351 -0.266 4.132 1.00 0.00 O ATOM 0 H GLU A 16 -14.112 -0.341 7.317 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.584 -2.780 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.905 -1.988 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.402 -2.348 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.531 0.469 5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.872 -0.040 3.779 1.00 0.00 H new ATOM 241 N ILE A 17 -11.517 0.304 6.719 1.00 0.00 N ATOM 242 CA ILE A 17 -10.331 1.148 6.667 1.00 0.00 C ATOM 243 C ILE A 17 -9.225 0.596 7.563 1.00 0.00 C ATOM 244 O ILE A 17 -8.040 0.778 7.286 1.00 0.00 O ATOM 245 CB ILE A 17 -10.660 2.593 7.095 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.773 3.166 6.215 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.418 3.471 7.023 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.379 3.313 4.762 1.00 0.00 C ATOM 0 H ILE A 17 -12.358 0.780 7.046 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.983 1.153 5.634 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.006 2.577 8.128 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.648 2.519 6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.067 4.141 6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.672 4.486 7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.652 3.073 7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.040 3.484 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.216 3.725 4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.523 3.984 4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.113 2.337 4.357 1.00 0.00 H new ATOM 260 N LYS A 18 -9.622 -0.078 8.638 1.00 0.00 N ATOM 261 CA LYS A 18 -8.664 -0.655 9.574 1.00 0.00 C ATOM 262 C LYS A 18 -8.157 -2.004 9.073 1.00 0.00 C ATOM 263 O LYS A 18 -6.951 -2.245 9.020 1.00 0.00 O ATOM 264 CB LYS A 18 -9.302 -0.819 10.954 1.00 0.00 C ATOM 265 CG LYS A 18 -10.058 0.413 11.425 1.00 0.00 C ATOM 266 CD LYS A 18 -11.102 0.060 12.472 1.00 0.00 C ATOM 267 CE LYS A 18 -10.595 0.335 13.879 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.584 -0.071 14.915 1.00 0.00 N ATOM 0 H LYS A 18 -10.599 -0.238 8.882 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.816 0.026 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.986 -1.668 10.931 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.524 -1.057 11.679 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.355 1.136 11.840 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.542 0.891 10.574 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.009 0.637 12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.370 -0.993 12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.660 -0.202 14.039 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.374 1.397 13.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.200 0.133 15.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.468 0.460 14.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.776 -1.090 14.832 1.00 0.00 H new ATOM 282 N SER A 19 -9.087 -2.880 8.707 1.00 0.00 N ATOM 283 CA SER A 19 -8.735 -4.206 8.210 1.00 0.00 C ATOM 284 C SER A 19 -7.874 -4.107 6.955 1.00 0.00 C ATOM 285 O SER A 19 -7.033 -4.969 6.698 1.00 0.00 O ATOM 286 CB SER A 19 -10.000 -5.014 7.914 1.00 0.00 C ATOM 287 OG SER A 19 -10.961 -4.854 8.943 1.00 0.00 O ATOM 0 H SER A 19 -10.090 -2.696 8.745 1.00 0.00 H new ATOM 0 HA SER A 19 -8.159 -4.715 8.983 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.425 -4.694 6.963 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.745 -6.069 7.811 1.00 0.00 H new ATOM 0 HG SER A 19 -11.546 -4.097 8.730 1.00 0.00 H new ATOM 293 N GLN A 20 -8.091 -3.053 6.175 1.00 0.00 N ATOM 294 CA GLN A 20 -7.335 -2.843 4.946 1.00 0.00 C ATOM 295 C GLN A 20 -5.855 -2.629 5.246 1.00 0.00 C ATOM 296 O GLN A 20 -4.999 -3.362 4.750 1.00 0.00 O ATOM 297 CB GLN A 20 -7.894 -1.641 4.179 1.00 0.00 C ATOM 298 CG GLN A 20 -8.774 -2.028 3.001 1.00 0.00 C ATOM 299 CD GLN A 20 -9.896 -2.968 3.395 1.00 0.00 C ATOM 300 OE1 GLN A 20 -9.672 -3.975 4.067 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.114 -2.644 2.977 1.00 0.00 N ATOM 0 H GLN A 20 -8.784 -2.331 6.372 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.434 -3.737 4.330 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.471 -1.019 4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.065 -1.033 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.199 -1.127 2.558 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.161 -2.502 2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.255 -1.800 2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.909 -3.239 3.211 1.00 0.00 H new ATOM 310 N GLN A 21 -5.560 -1.622 6.061 1.00 0.00 N ATOM 311 CA GLN A 21 -4.182 -1.313 6.426 1.00 0.00 C ATOM 312 C GLN A 21 -3.607 -2.385 7.345 1.00 0.00 C ATOM 313 O GLN A 21 -2.409 -2.665 7.317 1.00 0.00 O ATOM 314 CB GLN A 21 -4.107 0.055 7.108 1.00 0.00 C ATOM 315 CG GLN A 21 -5.004 0.176 8.329 1.00 0.00 C ATOM 316 CD GLN A 21 -4.374 1.001 9.435 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.372 0.603 10.028 1.00 0.00 O ATOM 318 NE2 GLN A 21 -4.962 2.158 9.718 1.00 0.00 N ATOM 0 H GLN A 21 -6.256 -1.006 6.481 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.588 -1.289 5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.076 0.248 7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.381 0.826 6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.951 0.630 8.036 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.232 -0.820 8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.792 2.449 9.200 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.584 2.756 10.453 1.00 0.00 H new ATOM 327 N SER A 22 -4.470 -2.983 8.161 1.00 0.00 N ATOM 328 CA SER A 22 -4.047 -4.024 9.090 1.00 0.00 C ATOM 329 C SER A 22 -3.726 -5.320 8.350 1.00 0.00 C ATOM 330 O SER A 22 -2.902 -6.115 8.801 1.00 0.00 O ATOM 331 CB SER A 22 -5.136 -4.277 10.134 1.00 0.00 C ATOM 332 OG SER A 22 -4.838 -5.420 10.917 1.00 0.00 O ATOM 0 H SER A 22 -5.466 -2.764 8.197 1.00 0.00 H new ATOM 0 HA SER A 22 -3.142 -3.681 9.592 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.233 -3.405 10.781 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.096 -4.414 9.636 1.00 0.00 H new ATOM 0 HG SER A 22 -5.549 -5.559 11.577 1.00 0.00 H new ATOM 338 N GLU A 23 -4.382 -5.526 7.213 1.00 0.00 N ATOM 339 CA GLU A 23 -4.166 -6.726 6.412 1.00 0.00 C ATOM 340 C GLU A 23 -2.876 -6.618 5.604 1.00 0.00 C ATOM 341 O GLU A 23 -2.118 -7.582 5.494 1.00 0.00 O ATOM 342 CB GLU A 23 -5.353 -6.956 5.474 1.00 0.00 C ATOM 343 CG GLU A 23 -5.209 -8.188 4.596 1.00 0.00 C ATOM 344 CD GLU A 23 -4.917 -9.443 5.395 1.00 0.00 C ATOM 345 OE1 GLU A 23 -5.872 -10.036 5.940 1.00 0.00 O ATOM 346 OE2 GLU A 23 -3.733 -9.834 5.477 1.00 0.00 O ATOM 0 H GLU A 23 -5.068 -4.878 6.825 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.076 -7.575 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.262 -7.049 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.477 -6.080 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.126 -8.331 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.407 -8.025 3.876 1.00 0.00 H new ATOM 353 N VAL A 24 -2.635 -5.441 5.038 1.00 0.00 N ATOM 354 CA VAL A 24 -1.439 -5.208 4.237 1.00 0.00 C ATOM 355 C VAL A 24 -0.183 -5.200 5.104 1.00 0.00 C ATOM 356 O VAL A 24 0.909 -5.517 4.631 1.00 0.00 O ATOM 357 CB VAL A 24 -1.527 -3.873 3.471 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.349 -3.721 2.521 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.845 -3.775 2.716 1.00 0.00 C ATOM 0 H VAL A 24 -3.252 -4.633 5.119 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.376 -6.028 3.522 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.487 -3.059 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.430 -2.773 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.581 -3.741 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.353 -4.541 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.889 -2.826 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.918 -4.596 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.674 -3.832 3.422 1.00 0.00 H new ATOM 369 N THR A 25 -0.342 -4.835 6.372 1.00 0.00 N ATOM 370 CA THR A 25 0.784 -4.784 7.299 1.00 0.00 C ATOM 371 C THR A 25 1.194 -6.184 7.745 1.00 0.00 C ATOM 372 O THR A 25 2.375 -6.529 7.730 1.00 0.00 O ATOM 373 CB THR A 25 0.433 -3.931 8.518 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.728 -4.427 9.162 1.00 0.00 O ATOM 375 CG2 THR A 25 0.185 -2.476 8.180 1.00 0.00 C ATOM 0 H THR A 25 -1.238 -4.570 6.781 1.00 0.00 H new ATOM 0 HA THR A 25 1.626 -4.330 6.776 1.00 0.00 H new ATOM 0 HB THR A 25 1.303 -3.992 9.172 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.935 -3.868 9.940 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.059 -1.928 9.090 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.081 -2.050 7.728 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.646 -2.402 7.478 1.00 0.00 H new ATOM 383 N ARG A 26 0.212 -6.987 8.146 1.00 0.00 N ATOM 384 CA ARG A 26 0.476 -8.348 8.600 1.00 0.00 C ATOM 385 C ARG A 26 1.194 -9.156 7.523 1.00 0.00 C ATOM 386 O ARG A 26 2.113 -9.921 7.817 1.00 0.00 O ATOM 387 CB ARG A 26 -0.829 -9.043 8.993 1.00 0.00 C ATOM 388 CG ARG A 26 -1.886 -9.018 7.902 1.00 0.00 C ATOM 389 CD ARG A 26 -3.134 -9.781 8.316 1.00 0.00 C ATOM 390 NE ARG A 26 -2.969 -11.226 8.166 1.00 0.00 N ATOM 391 CZ ARG A 26 -2.480 -12.023 9.115 1.00 0.00 C ATOM 392 NH1 ARG A 26 -2.100 -11.525 10.285 1.00 0.00 N ATOM 393 NH2 ARG A 26 -2.369 -13.325 8.891 1.00 0.00 N ATOM 0 H ARG A 26 -0.772 -6.719 8.166 1.00 0.00 H new ATOM 0 HA ARG A 26 1.124 -8.289 9.474 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.614 -10.079 9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.230 -8.565 9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.149 -7.985 7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.479 -9.453 6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.373 -9.549 9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.979 -9.448 7.713 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.245 -11.650 7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.181 -10.524 10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.727 -12.143 11.005 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.658 -13.715 7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.995 -13.937 9.616 1.00 0.00 H new ATOM 407 N ILE A 27 0.770 -8.983 6.275 1.00 0.00 N ATOM 408 CA ILE A 27 1.377 -9.697 5.158 1.00 0.00 C ATOM 409 C ILE A 27 2.828 -9.270 4.960 1.00 0.00 C ATOM 410 O ILE A 27 3.743 -10.089 5.047 1.00 0.00 O ATOM 411 CB ILE A 27 0.597 -9.463 3.849 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.881 -9.806 4.042 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.192 -10.291 2.718 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.802 -9.069 3.095 1.00 0.00 C ATOM 0 H ILE A 27 0.010 -8.356 6.012 1.00 0.00 H new ATOM 0 HA ILE A 27 1.344 -10.759 5.403 1.00 0.00 H new ATOM 0 HB ILE A 27 0.677 -8.409 3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.017 -10.879 3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.168 -9.575 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.629 -10.113 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.233 -10.004 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.141 -11.349 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.834 -9.362 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.695 -7.995 3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.542 -9.319 2.066 1.00 0.00 H new ATOM 426 N LEU A 28 3.031 -7.984 4.694 1.00 0.00 N ATOM 427 CA LEU A 28 4.371 -7.449 4.485 1.00 0.00 C ATOM 428 C LEU A 28 5.246 -7.685 5.713 1.00 0.00 C ATOM 429 O LEU A 28 6.396 -8.110 5.597 1.00 0.00 O ATOM 430 CB LEU A 28 4.303 -5.954 4.174 1.00 0.00 C ATOM 431 CG LEU A 28 3.605 -5.597 2.860 1.00 0.00 C ATOM 432 CD1 LEU A 28 3.461 -4.089 2.725 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.371 -6.170 1.678 1.00 0.00 C ATOM 0 H LEU A 28 2.284 -7.293 4.618 1.00 0.00 H new ATOM 0 HA LEU A 28 4.816 -7.969 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.785 -5.452 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.318 -5.557 4.148 1.00 0.00 H new ATOM 0 HG LEU A 28 2.608 -6.037 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.963 -3.854 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.869 -3.704 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.448 -3.627 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.861 -5.907 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.381 -5.760 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.421 -7.255 1.769 1.00 0.00 H new ATOM 445 N ASP A 29 4.690 -7.408 6.887 1.00 0.00 N ATOM 446 CA ASP A 29 5.413 -7.593 8.140 1.00 0.00 C ATOM 447 C ASP A 29 5.851 -9.045 8.297 1.00 0.00 C ATOM 448 O ASP A 29 7.020 -9.327 8.560 1.00 0.00 O ATOM 449 CB ASP A 29 4.540 -7.179 9.325 1.00 0.00 C ATOM 450 CG ASP A 29 5.325 -7.093 10.620 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.503 -6.682 10.572 1.00 0.00 O ATOM 452 OD2 ASP A 29 4.761 -7.435 11.680 1.00 0.00 O ATOM 0 H ASP A 29 3.740 -7.054 6.997 1.00 0.00 H new ATOM 0 HA ASP A 29 6.301 -6.961 8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.083 -6.212 9.116 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.728 -7.897 9.443 1.00 0.00 H new ATOM 457 N GLY A 30 4.905 -9.964 8.126 1.00 0.00 N ATOM 458 CA GLY A 30 5.215 -11.376 8.245 1.00 0.00 C ATOM 459 C GLY A 30 6.292 -11.805 7.269 1.00 0.00 C ATOM 460 O GLY A 30 7.061 -12.726 7.545 1.00 0.00 O ATOM 0 H GLY A 30 3.931 -9.756 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.541 -11.591 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.312 -11.961 8.069 1.00 0.00 H new ATOM 464 N LYS A 31 6.349 -11.127 6.127 1.00 0.00 N ATOM 465 CA LYS A 31 7.343 -11.431 5.105 1.00 0.00 C ATOM 466 C LYS A 31 8.723 -10.917 5.512 1.00 0.00 C ATOM 467 O LYS A 31 9.728 -11.254 4.885 1.00 0.00 O ATOM 468 CB LYS A 31 6.931 -10.815 3.766 1.00 0.00 C ATOM 469 CG LYS A 31 6.050 -11.724 2.924 1.00 0.00 C ATOM 470 CD LYS A 31 5.519 -11.003 1.696 1.00 0.00 C ATOM 471 CE LYS A 31 4.392 -11.782 1.037 1.00 0.00 C ATOM 472 NZ LYS A 31 3.383 -12.246 2.029 1.00 0.00 N ATOM 0 H LYS A 31 5.718 -10.363 5.886 1.00 0.00 H new ATOM 0 HA LYS A 31 7.398 -12.514 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.401 -9.881 3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.828 -10.565 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.620 -12.600 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.215 -12.083 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.161 -10.013 1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.328 -10.856 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.905 -11.154 0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.805 -12.642 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.441 -12.252 1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.624 -13.207 2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.379 -11.603 2.847 1.00 0.00 H new ATOM 486 N ARG A 32 8.767 -10.100 6.564 1.00 0.00 N ATOM 487 CA ARG A 32 10.025 -9.542 7.050 1.00 0.00 C ATOM 488 C ARG A 32 10.569 -8.503 6.077 1.00 0.00 C ATOM 489 O ARG A 32 11.769 -8.459 5.805 1.00 0.00 O ATOM 490 CB ARG A 32 11.058 -10.651 7.266 1.00 0.00 C ATOM 491 CG ARG A 32 10.500 -11.872 7.979 1.00 0.00 C ATOM 492 CD ARG A 32 9.913 -11.508 9.334 1.00 0.00 C ATOM 493 NE ARG A 32 10.409 -12.378 10.398 1.00 0.00 N ATOM 494 CZ ARG A 32 9.824 -12.503 11.587 1.00 0.00 C ATOM 495 NH1 ARG A 32 8.721 -11.820 11.867 1.00 0.00 N ATOM 496 NH2 ARG A 32 10.343 -13.315 12.498 1.00 0.00 N ATOM 0 H ARG A 32 7.945 -9.811 7.095 1.00 0.00 H new ATOM 0 HA ARG A 32 9.830 -9.053 8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.458 -10.957 6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.891 -10.252 7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.731 -12.335 7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.291 -12.610 8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.158 -10.472 9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.826 -11.575 9.288 1.00 0.00 H new ATOM 0 HE ARG A 32 11.253 -12.922 10.219 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.317 -11.195 11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.277 -11.920 12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.190 -13.843 12.287 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.895 -13.411 13.409 1.00 0.00 H new ATOM 510 N ILE A 33 9.678 -7.666 5.557 1.00 0.00 N ATOM 511 CA ILE A 33 10.064 -6.627 4.617 1.00 0.00 C ATOM 512 C ILE A 33 10.457 -5.350 5.347 1.00 0.00 C ATOM 513 O ILE A 33 10.078 -5.133 6.498 1.00 0.00 O ATOM 514 CB ILE A 33 8.926 -6.313 3.628 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.407 -7.603 2.991 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.404 -5.342 2.557 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.305 -7.376 1.980 1.00 0.00 C ATOM 0 H ILE A 33 8.681 -7.689 5.773 1.00 0.00 H new ATOM 0 HA ILE A 33 10.922 -7.004 4.060 1.00 0.00 H new ATOM 0 HB ILE A 33 8.108 -5.844 4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.236 -8.117 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.039 -8.264 3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.587 -5.131 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.731 -4.414 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.236 -5.785 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.985 -8.334 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.459 -6.890 2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.675 -6.741 1.175 1.00 0.00 H new ATOM 529 N GLN A 34 11.219 -4.509 4.664 1.00 0.00 N ATOM 530 CA GLN A 34 11.674 -3.245 5.232 1.00 0.00 C ATOM 531 C GLN A 34 11.026 -2.067 4.514 1.00 0.00 C ATOM 532 O GLN A 34 11.708 -1.145 4.064 1.00 0.00 O ATOM 533 CB GLN A 34 13.198 -3.141 5.143 1.00 0.00 C ATOM 534 CG GLN A 34 13.921 -3.782 6.316 1.00 0.00 C ATOM 535 CD GLN A 34 13.635 -5.266 6.436 1.00 0.00 C ATOM 536 OE1 GLN A 34 14.253 -6.086 5.757 1.00 0.00 O ATOM 537 NE2 GLN A 34 12.694 -5.620 7.303 1.00 0.00 N ATOM 0 H GLN A 34 11.538 -4.679 3.710 1.00 0.00 H new ATOM 0 HA GLN A 34 11.378 -3.216 6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.533 -3.613 4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.479 -2.090 5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.995 -3.631 6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.624 -3.283 7.238 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.206 -4.907 7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.459 -6.605 7.426 1.00 0.00 H new ATOM 546 N TYR A 35 9.703 -2.107 4.406 1.00 0.00 N ATOM 547 CA TYR A 35 8.957 -1.047 3.738 1.00 0.00 C ATOM 548 C TYR A 35 8.479 0.005 4.737 1.00 0.00 C ATOM 549 O TYR A 35 8.330 -0.276 5.927 1.00 0.00 O ATOM 550 CB TYR A 35 7.761 -1.637 2.981 1.00 0.00 C ATOM 551 CG TYR A 35 6.596 -2.016 3.871 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.636 -3.162 4.656 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.456 -1.223 3.928 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.575 -3.507 5.471 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.391 -1.561 4.741 1.00 0.00 C ATOM 556 CZ TYR A 35 4.455 -2.703 5.510 1.00 0.00 C ATOM 557 OH TYR A 35 3.396 -3.044 6.320 1.00 0.00 O ATOM 0 H TYR A 35 9.124 -2.863 4.773 1.00 0.00 H new ATOM 0 HA TYR A 35 9.625 -0.561 3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.419 -0.913 2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.090 -2.521 2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.511 -3.794 4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.402 -0.328 3.327 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.622 -4.402 6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.513 -0.933 4.774 1.00 0.00 H new ATOM 0 HH TYR A 35 2.687 -2.373 6.232 1.00 0.00 H new ATOM 567 N GLN A 36 8.233 1.213 4.242 1.00 0.00 N ATOM 568 CA GLN A 36 7.763 2.307 5.084 1.00 0.00 C ATOM 569 C GLN A 36 6.246 2.435 4.995 1.00 0.00 C ATOM 570 O GLN A 36 5.593 1.672 4.282 1.00 0.00 O ATOM 571 CB GLN A 36 8.425 3.622 4.670 1.00 0.00 C ATOM 572 CG GLN A 36 8.419 3.860 3.168 1.00 0.00 C ATOM 573 CD GLN A 36 9.771 3.602 2.532 1.00 0.00 C ATOM 574 OE1 GLN A 36 10.222 2.460 2.446 1.00 0.00 O ATOM 575 NE2 GLN A 36 10.426 4.666 2.082 1.00 0.00 N ATOM 0 H GLN A 36 8.352 1.460 3.259 1.00 0.00 H new ATOM 0 HA GLN A 36 8.036 2.087 6.116 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.912 4.448 5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.455 3.629 5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.674 3.213 2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.118 4.888 2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.014 5.595 2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.341 4.554 1.644 1.00 0.00 H new ATOM 584 N LEU A 37 5.687 3.401 5.716 1.00 0.00 N ATOM 585 CA LEU A 37 4.251 3.619 5.706 1.00 0.00 C ATOM 586 C LEU A 37 3.942 5.089 5.487 1.00 0.00 C ATOM 587 O LEU A 37 3.982 5.889 6.422 1.00 0.00 O ATOM 588 CB LEU A 37 3.631 3.140 7.017 1.00 0.00 C ATOM 589 CG LEU A 37 2.108 2.998 7.002 1.00 0.00 C ATOM 590 CD1 LEU A 37 1.639 2.167 8.186 1.00 0.00 C ATOM 591 CD2 LEU A 37 1.446 4.368 7.013 1.00 0.00 C ATOM 0 H LEU A 37 6.208 4.043 6.313 1.00 0.00 H new ATOM 0 HA LEU A 37 3.820 3.045 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.068 2.175 7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.907 3.838 7.808 1.00 0.00 H new ATOM 0 HG LEU A 37 1.818 2.484 6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.553 2.076 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.087 1.175 8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.940 2.653 9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.363 4.249 7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.743 4.908 7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.758 4.930 6.133 1.00 0.00 H new ATOM 603 N VAL A 38 3.635 5.440 4.248 1.00 0.00 N ATOM 604 CA VAL A 38 3.321 6.820 3.914 1.00 0.00 C ATOM 605 C VAL A 38 1.889 7.149 4.306 1.00 0.00 C ATOM 606 O VAL A 38 0.985 7.162 3.472 1.00 0.00 O ATOM 607 CB VAL A 38 3.523 7.117 2.412 1.00 0.00 C ATOM 608 CG1 VAL A 38 4.985 7.416 2.121 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.030 5.962 1.552 1.00 0.00 C ATOM 0 H VAL A 38 3.597 4.792 3.461 1.00 0.00 H new ATOM 0 HA VAL A 38 4.012 7.447 4.477 1.00 0.00 H new ATOM 0 HB VAL A 38 2.932 7.997 2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.109 7.623 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.301 8.284 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.594 6.555 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.185 6.200 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.584 5.058 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.968 5.800 1.735 1.00 0.00 H new ATOM 619 N ASP A 39 1.694 7.410 5.591 1.00 0.00 N ATOM 620 CA ASP A 39 0.371 7.735 6.114 1.00 0.00 C ATOM 621 C ASP A 39 0.012 9.188 5.822 1.00 0.00 C ATOM 622 O ASP A 39 0.784 10.102 6.109 1.00 0.00 O ATOM 623 CB ASP A 39 0.313 7.478 7.622 1.00 0.00 C ATOM 624 CG ASP A 39 1.511 8.048 8.357 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.763 9.264 8.229 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.197 7.277 9.061 1.00 0.00 O ATOM 0 H ASP A 39 2.435 7.403 6.292 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.354 7.091 5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.599 7.916 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.258 6.404 7.802 1.00 0.00 H new ATOM 631 N ILE A 40 -1.167 9.388 5.241 1.00 0.00 N ATOM 632 CA ILE A 40 -1.638 10.725 4.897 1.00 0.00 C ATOM 633 C ILE A 40 -2.412 11.361 6.048 1.00 0.00 C ATOM 634 O ILE A 40 -2.554 12.582 6.110 1.00 0.00 O ATOM 635 CB ILE A 40 -2.535 10.695 3.644 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.714 9.741 3.854 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.725 10.286 2.423 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.736 9.786 2.739 1.00 0.00 C ATOM 0 H ILE A 40 -1.815 8.639 4.998 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.752 11.326 4.692 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.930 11.697 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.335 8.723 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.205 9.986 4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.372 10.269 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.918 11.002 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.303 9.293 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.542 9.085 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.144 10.794 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.260 9.512 1.798 1.00 0.00 H new ATOM 650 N SER A 41 -2.910 10.530 6.958 1.00 0.00 N ATOM 651 CA SER A 41 -3.667 11.019 8.104 1.00 0.00 C ATOM 652 C SER A 41 -2.794 11.891 9.002 1.00 0.00 C ATOM 653 O SER A 41 -3.298 12.722 9.757 1.00 0.00 O ATOM 654 CB SER A 41 -4.233 9.846 8.907 1.00 0.00 C ATOM 655 OG SER A 41 -5.411 10.222 9.598 1.00 0.00 O ATOM 0 H SER A 41 -2.803 9.516 6.924 1.00 0.00 H new ATOM 0 HA SER A 41 -4.492 11.626 7.730 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.451 9.014 8.237 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.486 9.495 9.619 1.00 0.00 H new ATOM 0 HG SER A 41 -6.107 9.548 9.449 1.00 0.00 H new ATOM 661 N GLN A 42 -1.481 11.696 8.913 1.00 0.00 N ATOM 662 CA GLN A 42 -0.536 12.463 9.715 1.00 0.00 C ATOM 663 C GLN A 42 -0.702 13.959 9.472 1.00 0.00 C ATOM 664 O GLN A 42 -1.090 14.705 10.371 1.00 0.00 O ATOM 665 CB GLN A 42 0.896 12.039 9.385 1.00 0.00 C ATOM 666 CG GLN A 42 1.939 12.640 10.312 1.00 0.00 C ATOM 667 CD GLN A 42 2.332 14.048 9.913 1.00 0.00 C ATOM 668 OE1 GLN A 42 1.931 15.022 10.549 1.00 0.00 O ATOM 669 NE2 GLN A 42 3.123 14.163 8.852 1.00 0.00 N ATOM 0 H GLN A 42 -1.048 11.012 8.292 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.739 12.261 10.767 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.964 10.952 9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.124 12.329 8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.552 12.650 11.331 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.826 12.006 10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.432 13.329 8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.421 15.086 8.536 1.00 0.00 H new ATOM 678 N ASP A 43 -0.403 14.390 8.251 1.00 0.00 N ATOM 679 CA ASP A 43 -0.517 15.798 7.888 1.00 0.00 C ATOM 680 C ASP A 43 -1.587 16.002 6.820 1.00 0.00 C ATOM 681 O ASP A 43 -2.278 15.060 6.431 1.00 0.00 O ATOM 682 CB ASP A 43 0.828 16.328 7.389 1.00 0.00 C ATOM 683 CG ASP A 43 1.114 17.734 7.878 1.00 0.00 C ATOM 684 OD1 ASP A 43 0.868 18.009 9.071 1.00 0.00 O ATOM 685 OD2 ASP A 43 1.583 18.561 7.067 1.00 0.00 O ATOM 0 H ASP A 43 -0.080 13.785 7.496 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.810 16.354 8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.624 15.662 7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.838 16.317 6.299 1.00 0.00 H new ATOM 690 N ASN A 44 -1.717 17.238 6.350 1.00 0.00 N ATOM 691 CA ASN A 44 -2.702 17.568 5.326 1.00 0.00 C ATOM 692 C ASN A 44 -2.058 17.647 3.944 1.00 0.00 C ATOM 693 O ASN A 44 -2.743 17.560 2.925 1.00 0.00 O ATOM 694 CB ASN A 44 -3.387 18.895 5.658 1.00 0.00 C ATOM 695 CG ASN A 44 -2.413 20.056 5.688 1.00 0.00 C ATOM 696 OD1 ASN A 44 -2.016 20.522 6.757 1.00 0.00 O ATOM 697 ND2 ASN A 44 -2.023 20.531 4.511 1.00 0.00 N ATOM 0 H ASN A 44 -1.152 18.028 6.662 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.447 16.773 5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.164 19.095 4.920 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.881 18.814 6.626 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.369 21.313 4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.377 20.114 3.650 1.00 0.00 H new ATOM 704 N ALA A 45 -0.738 17.813 3.913 1.00 0.00 N ATOM 705 CA ALA A 45 -0.010 17.903 2.651 1.00 0.00 C ATOM 706 C ALA A 45 0.254 16.522 2.055 1.00 0.00 C ATOM 707 O ALA A 45 0.853 16.407 0.988 1.00 0.00 O ATOM 708 CB ALA A 45 1.299 18.652 2.851 1.00 0.00 C ATOM 0 H ALA A 45 -0.153 17.888 4.745 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.632 18.454 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.832 18.712 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.091 19.658 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.913 18.123 3.580 1.00 0.00 H new ATOM 714 N LEU A 46 -0.198 15.478 2.742 1.00 0.00 N ATOM 715 CA LEU A 46 -0.011 14.115 2.265 1.00 0.00 C ATOM 716 C LEU A 46 -1.257 13.636 1.531 1.00 0.00 C ATOM 717 O LEU A 46 -1.169 12.933 0.524 1.00 0.00 O ATOM 718 CB LEU A 46 0.297 13.180 3.435 1.00 0.00 C ATOM 719 CG LEU A 46 1.709 13.300 4.011 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.730 12.715 3.048 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.039 14.753 4.324 1.00 0.00 C ATOM 0 H LEU A 46 -0.696 15.551 3.629 1.00 0.00 H new ATOM 0 HA LEU A 46 0.832 14.104 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.421 13.373 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.141 12.152 3.108 1.00 0.00 H new ATOM 0 HG LEU A 46 1.749 12.732 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.729 12.809 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.507 11.662 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.688 13.254 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.047 14.817 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.979 15.345 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.327 15.139 5.053 1.00 0.00 H new ATOM 733 N ARG A 47 -2.417 14.025 2.048 1.00 0.00 N ATOM 734 CA ARG A 47 -3.690 13.643 1.450 1.00 0.00 C ATOM 735 C ARG A 47 -3.863 14.281 0.074 1.00 0.00 C ATOM 736 O ARG A 47 -4.231 13.607 -0.889 1.00 0.00 O ATOM 737 CB ARG A 47 -4.848 14.051 2.366 1.00 0.00 C ATOM 738 CG ARG A 47 -5.564 12.872 3.005 1.00 0.00 C ATOM 739 CD ARG A 47 -6.481 13.322 4.130 1.00 0.00 C ATOM 740 NE ARG A 47 -7.850 13.537 3.668 1.00 0.00 N ATOM 741 CZ ARG A 47 -8.726 12.556 3.463 1.00 0.00 C ATOM 742 NH1 ARG A 47 -8.381 11.293 3.678 1.00 0.00 N ATOM 743 NH2 ARG A 47 -9.952 12.839 3.043 1.00 0.00 N ATOM 0 H ARG A 47 -2.502 14.606 2.882 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.695 12.560 1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.466 14.703 3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.567 14.634 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.146 12.345 2.249 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.830 12.166 3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.479 12.572 4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.096 14.245 4.564 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.152 14.495 3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.440 11.069 4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.057 10.546 3.519 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.223 13.808 2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.623 12.087 2.886 1.00 0.00 H new ATOM 757 N ASP A 48 -3.599 15.583 -0.013 1.00 0.00 N ATOM 758 CA ASP A 48 -3.733 16.301 -1.277 1.00 0.00 C ATOM 759 C ASP A 48 -2.510 16.118 -2.165 1.00 0.00 C ATOM 760 O ASP A 48 -2.458 16.623 -3.286 1.00 0.00 O ATOM 761 CB ASP A 48 -3.986 17.788 -1.026 1.00 0.00 C ATOM 762 CG ASP A 48 -5.051 18.357 -1.943 1.00 0.00 C ATOM 763 OD1 ASP A 48 -5.290 17.763 -3.015 1.00 0.00 O ATOM 764 OD2 ASP A 48 -5.646 19.397 -1.588 1.00 0.00 O ATOM 0 H ASP A 48 -3.293 16.159 0.772 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.590 15.878 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.289 17.932 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.057 18.340 -1.166 1.00 0.00 H new ATOM 769 N GLU A 49 -1.544 15.380 -1.659 1.00 0.00 N ATOM 770 CA GLU A 49 -0.320 15.100 -2.399 1.00 0.00 C ATOM 771 C GLU A 49 -0.382 13.706 -3.014 1.00 0.00 C ATOM 772 O GLU A 49 0.189 13.455 -4.076 1.00 0.00 O ATOM 773 CB GLU A 49 0.901 15.223 -1.483 1.00 0.00 C ATOM 774 CG GLU A 49 2.206 14.795 -2.137 1.00 0.00 C ATOM 775 CD GLU A 49 2.649 15.747 -3.230 1.00 0.00 C ATOM 776 OE1 GLU A 49 1.978 15.797 -4.282 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.667 16.444 -3.034 1.00 0.00 O ATOM 0 H GLU A 49 -1.579 14.958 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.225 15.832 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.993 16.258 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.737 14.618 -0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.985 14.732 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.088 13.796 -2.556 1.00 0.00 H new ATOM 784 N MET A 50 -1.084 12.803 -2.336 1.00 0.00 N ATOM 785 CA MET A 50 -1.230 11.432 -2.807 1.00 0.00 C ATOM 786 C MET A 50 -2.290 11.346 -3.900 1.00 0.00 C ATOM 787 O MET A 50 -2.092 10.687 -4.920 1.00 0.00 O ATOM 788 CB MET A 50 -1.604 10.511 -1.645 1.00 0.00 C ATOM 789 CG MET A 50 -1.471 9.034 -1.974 1.00 0.00 C ATOM 790 SD MET A 50 -2.921 8.376 -2.819 1.00 0.00 S ATOM 791 CE MET A 50 -3.510 7.193 -1.611 1.00 0.00 C ATOM 0 H MET A 50 -1.562 12.998 -1.456 1.00 0.00 H new ATOM 0 HA MET A 50 -0.275 11.111 -3.224 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.970 10.743 -0.790 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.631 10.717 -1.345 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.591 8.883 -2.600 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.307 8.474 -1.053 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.510 6.859 -1.887 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.836 6.337 -1.582 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.543 7.662 -0.628 1.00 0.00 H new ATOM 801 N ARG A 51 -3.416 12.018 -3.679 1.00 0.00 N ATOM 802 CA ARG A 51 -4.509 12.018 -4.645 1.00 0.00 C ATOM 803 C ARG A 51 -4.036 12.523 -6.005 1.00 0.00 C ATOM 804 O ARG A 51 -4.557 12.118 -7.044 1.00 0.00 O ATOM 805 CB ARG A 51 -5.664 12.885 -4.138 1.00 0.00 C ATOM 806 CG ARG A 51 -6.775 12.090 -3.472 1.00 0.00 C ATOM 807 CD ARG A 51 -6.386 11.659 -2.067 1.00 0.00 C ATOM 808 NE ARG A 51 -7.022 10.401 -1.684 1.00 0.00 N ATOM 809 CZ ARG A 51 -7.170 9.997 -0.424 1.00 0.00 C ATOM 810 NH1 ARG A 51 -6.726 10.747 0.577 1.00 0.00 N ATOM 811 NH2 ARG A 51 -7.763 8.840 -0.165 1.00 0.00 N ATOM 0 H ARG A 51 -3.595 12.569 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.857 10.992 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.275 13.615 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.081 13.445 -4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.682 12.694 -3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.005 11.210 -4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.303 11.550 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.667 12.438 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.374 9.796 -2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.269 11.638 0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.842 10.433 1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.106 8.260 -0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.877 8.530 0.800 1.00 0.00 H new ATOM 825 N ALA A 52 -3.045 13.409 -5.991 1.00 0.00 N ATOM 826 CA ALA A 52 -2.503 13.969 -7.223 1.00 0.00 C ATOM 827 C ALA A 52 -1.554 12.986 -7.901 1.00 0.00 C ATOM 828 O ALA A 52 -1.798 12.550 -9.026 1.00 0.00 O ATOM 829 CB ALA A 52 -1.789 15.281 -6.936 1.00 0.00 C ATOM 0 H ALA A 52 -2.601 13.754 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.333 14.161 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.389 15.688 -7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.493 15.991 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.973 15.105 -6.236 1.00 0.00 H new ATOM 835 N LEU A 53 -0.472 12.643 -7.211 1.00 0.00 N ATOM 836 CA LEU A 53 0.514 11.711 -7.748 1.00 0.00 C ATOM 837 C LEU A 53 -0.127 10.366 -8.076 1.00 0.00 C ATOM 838 O LEU A 53 0.312 9.663 -8.985 1.00 0.00 O ATOM 839 CB LEU A 53 1.657 11.514 -6.750 1.00 0.00 C ATOM 840 CG LEU A 53 1.267 10.811 -5.449 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.394 9.302 -5.599 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.128 11.308 -4.298 1.00 0.00 C ATOM 0 H LEU A 53 -0.255 12.996 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 53 0.913 12.136 -8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.446 10.938 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.078 12.489 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 53 0.226 11.047 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.112 8.818 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.736 8.959 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.425 9.046 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.838 10.798 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.177 11.101 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.988 12.382 -4.176 1.00 0.00 H new ATOM 854 N ALA A 54 -1.168 10.014 -7.328 1.00 0.00 N ATOM 855 CA ALA A 54 -1.869 8.753 -7.539 1.00 0.00 C ATOM 856 C ALA A 54 -2.737 8.799 -8.794 1.00 0.00 C ATOM 857 O ALA A 54 -3.159 7.760 -9.303 1.00 0.00 O ATOM 858 CB ALA A 54 -2.718 8.413 -6.322 1.00 0.00 C ATOM 0 H ALA A 54 -1.544 10.584 -6.571 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.120 7.974 -7.681 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.236 7.469 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.077 8.322 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.449 9.204 -6.156 1.00 0.00 H new ATOM 864 N GLY A 55 -3.003 10.004 -9.290 1.00 0.00 N ATOM 865 CA GLY A 55 -3.821 10.150 -10.479 1.00 0.00 C ATOM 866 C GLY A 55 -5.239 9.661 -10.263 1.00 0.00 C ATOM 867 O GLY A 55 -5.798 8.961 -11.107 1.00 0.00 O ATOM 0 H GLY A 55 -2.667 10.880 -8.890 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.842 11.198 -10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.368 9.594 -11.300 1.00 0.00 H new ATOM 871 N ASN A 56 -5.820 10.033 -9.127 1.00 0.00 N ATOM 872 CA ASN A 56 -7.181 9.632 -8.793 1.00 0.00 C ATOM 873 C ASN A 56 -7.573 10.163 -7.433 1.00 0.00 C ATOM 874 O ASN A 56 -7.015 9.770 -6.408 1.00 0.00 O ATOM 875 CB ASN A 56 -7.334 8.108 -8.828 1.00 0.00 C ATOM 876 CG ASN A 56 -6.106 7.385 -8.306 1.00 0.00 C ATOM 877 OD1 ASN A 56 -5.430 6.672 -9.047 1.00 0.00 O ATOM 878 ND2 ASN A 56 -5.814 7.565 -7.024 1.00 0.00 N ATOM 0 H ASN A 56 -5.368 10.613 -8.421 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.847 10.059 -9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.201 7.820 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.530 7.790 -9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.001 7.103 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.403 8.165 -6.446 1.00 0.00 H new ATOM 885 N PRO A 57 -8.541 11.082 -7.414 1.00 0.00 N ATOM 886 CA PRO A 57 -9.023 11.699 -6.197 1.00 0.00 C ATOM 887 C PRO A 57 -10.135 10.896 -5.531 1.00 0.00 C ATOM 888 O PRO A 57 -10.950 11.441 -4.786 1.00 0.00 O ATOM 889 CB PRO A 57 -9.547 13.054 -6.686 1.00 0.00 C ATOM 890 CG PRO A 57 -9.468 13.041 -8.181 1.00 0.00 C ATOM 891 CD PRO A 57 -9.244 11.619 -8.581 1.00 0.00 C ATOM 0 HA PRO A 57 -8.246 11.772 -5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.574 13.212 -6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.951 13.869 -6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.387 13.428 -8.622 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.654 13.676 -8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.181 11.096 -8.769 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.647 11.540 -9.489 1.00 0.00 H new ATOM 899 N LYS A 58 -10.157 9.598 -5.800 1.00 0.00 N ATOM 900 CA LYS A 58 -11.160 8.710 -5.225 1.00 0.00 C ATOM 901 C LYS A 58 -10.511 7.456 -4.638 1.00 0.00 C ATOM 902 O LYS A 58 -11.202 6.534 -4.208 1.00 0.00 O ATOM 903 CB LYS A 58 -12.189 8.317 -6.287 1.00 0.00 C ATOM 904 CG LYS A 58 -11.610 7.482 -7.418 1.00 0.00 C ATOM 905 CD LYS A 58 -12.683 6.648 -8.100 1.00 0.00 C ATOM 906 CE LYS A 58 -12.879 5.312 -7.401 1.00 0.00 C ATOM 907 NZ LYS A 58 -14.113 5.295 -6.569 1.00 0.00 N ATOM 0 H LYS A 58 -9.489 9.134 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.663 9.245 -4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.995 7.759 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.631 9.222 -6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.137 8.137 -8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.832 6.826 -7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.624 7.198 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.407 6.478 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.932 4.518 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.014 5.102 -6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.358 4.313 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.949 5.832 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.895 5.729 -7.099 1.00 0.00 H new ATOM 921 N ALA A 59 -9.178 7.428 -4.624 1.00 0.00 N ATOM 922 CA ALA A 59 -8.442 6.288 -4.091 1.00 0.00 C ATOM 923 C ALA A 59 -8.816 6.021 -2.635 1.00 0.00 C ATOM 924 O ALA A 59 -9.820 6.531 -2.138 1.00 0.00 O ATOM 925 CB ALA A 59 -6.943 6.525 -4.223 1.00 0.00 C ATOM 0 H ALA A 59 -8.589 8.183 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.713 5.406 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.402 5.668 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.687 6.656 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.666 7.421 -3.667 1.00 0.00 H new ATOM 931 N THR A 60 -8.003 5.216 -1.959 1.00 0.00 N ATOM 932 CA THR A 60 -8.246 4.878 -0.562 1.00 0.00 C ATOM 933 C THR A 60 -6.931 4.767 0.207 1.00 0.00 C ATOM 934 O THR A 60 -5.862 4.653 -0.392 1.00 0.00 O ATOM 935 CB THR A 60 -9.024 3.564 -0.464 1.00 0.00 C ATOM 936 OG1 THR A 60 -8.649 2.682 -1.507 1.00 0.00 O ATOM 937 CG2 THR A 60 -10.524 3.750 -0.537 1.00 0.00 C ATOM 0 H THR A 60 -7.169 4.785 -2.357 1.00 0.00 H new ATOM 0 HA THR A 60 -8.839 5.677 -0.116 1.00 0.00 H new ATOM 0 HB THR A 60 -8.773 3.151 0.513 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.155 1.847 -1.427 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.015 2.780 -0.462 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.852 4.387 0.284 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.787 4.217 -1.486 1.00 0.00 H new ATOM 945 N PRO A 61 -6.992 4.805 1.550 1.00 0.00 N ATOM 946 CA PRO A 61 -5.810 4.714 2.408 1.00 0.00 C ATOM 947 C PRO A 61 -4.803 3.665 1.929 1.00 0.00 C ATOM 948 O PRO A 61 -3.645 3.988 1.667 1.00 0.00 O ATOM 949 CB PRO A 61 -6.380 4.331 3.786 1.00 0.00 C ATOM 950 CG PRO A 61 -7.866 4.219 3.614 1.00 0.00 C ATOM 951 CD PRO A 61 -8.213 4.946 2.346 1.00 0.00 C ATOM 0 HA PRO A 61 -5.251 5.650 2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.957 3.388 4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.131 5.085 4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.171 3.174 3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.388 4.656 4.465 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.075 4.502 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.456 5.992 2.532 1.00 0.00 H new ATOM 959 N PRO A 62 -5.225 2.392 1.808 1.00 0.00 N ATOM 960 CA PRO A 62 -4.340 1.310 1.361 1.00 0.00 C ATOM 961 C PRO A 62 -3.896 1.480 -0.088 1.00 0.00 C ATOM 962 O PRO A 62 -4.642 1.172 -1.018 1.00 0.00 O ATOM 963 CB PRO A 62 -5.201 0.052 1.512 1.00 0.00 C ATOM 964 CG PRO A 62 -6.605 0.543 1.464 1.00 0.00 C ATOM 965 CD PRO A 62 -6.586 1.905 2.098 1.00 0.00 C ATOM 0 HA PRO A 62 -3.416 1.281 1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.004 -0.661 0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.993 -0.459 2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.966 0.595 0.437 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.273 -0.129 2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.347 2.558 1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.775 1.853 3.170 1.00 0.00 H new ATOM 973 N GLN A 63 -2.673 1.967 -0.272 1.00 0.00 N ATOM 974 CA GLN A 63 -2.121 2.174 -1.607 1.00 0.00 C ATOM 975 C GLN A 63 -0.614 1.942 -1.608 1.00 0.00 C ATOM 976 O GLN A 63 0.144 2.720 -1.029 1.00 0.00 O ATOM 977 CB GLN A 63 -2.433 3.589 -2.101 1.00 0.00 C ATOM 978 CG GLN A 63 -3.909 3.827 -2.372 1.00 0.00 C ATOM 979 CD GLN A 63 -4.357 3.248 -3.699 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.542 3.003 -4.589 1.00 0.00 O ATOM 981 NE2 GLN A 63 -5.658 3.025 -3.838 1.00 0.00 N ATOM 0 H GLN A 63 -2.044 2.226 0.488 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.585 1.455 -2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.088 4.308 -1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.869 3.778 -3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.498 3.385 -1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.109 4.898 -2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.297 3.243 -3.074 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.018 2.635 -4.709 1.00 0.00 H new ATOM 990 N ILE A 64 -0.187 0.863 -2.255 1.00 0.00 N ATOM 991 CA ILE A 64 1.229 0.524 -2.325 1.00 0.00 C ATOM 992 C ILE A 64 1.947 1.346 -3.389 1.00 0.00 C ATOM 993 O ILE A 64 1.418 1.571 -4.478 1.00 0.00 O ATOM 994 CB ILE A 64 1.434 -0.973 -2.626 1.00 0.00 C ATOM 995 CG1 ILE A 64 0.563 -1.826 -1.703 1.00 0.00 C ATOM 996 CG2 ILE A 64 2.901 -1.348 -2.476 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.776 -2.194 -2.304 1.00 0.00 C ATOM 0 H ILE A 64 -0.802 0.208 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 64 1.653 0.755 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 64 1.134 -1.165 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.102 -2.739 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.397 -1.285 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.029 -2.409 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.500 -0.761 -3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.226 -1.143 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.340 -2.799 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.335 -1.286 -2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.619 -2.763 -3.221 1.00 0.00 H new ATOM 1009 N VAL A 65 3.157 1.788 -3.065 1.00 0.00 N ATOM 1010 CA VAL A 65 3.958 2.583 -3.988 1.00 0.00 C ATOM 1011 C VAL A 65 5.352 1.985 -4.144 1.00 0.00 C ATOM 1012 O VAL A 65 5.972 1.566 -3.166 1.00 0.00 O ATOM 1013 CB VAL A 65 4.076 4.045 -3.510 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.907 4.878 -4.476 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.694 4.656 -3.329 1.00 0.00 C ATOM 0 H VAL A 65 3.606 1.608 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 65 3.451 2.571 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 65 4.588 4.044 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.971 5.903 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.909 4.456 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.437 4.872 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.794 5.688 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.160 4.635 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.137 4.084 -2.587 1.00 0.00 H new ATOM 1025 N ASN A 66 5.837 1.950 -5.378 1.00 0.00 N ATOM 1026 CA ASN A 66 7.158 1.404 -5.667 1.00 0.00 C ATOM 1027 C ASN A 66 8.209 2.508 -5.684 1.00 0.00 C ATOM 1028 O ASN A 66 8.531 3.057 -6.738 1.00 0.00 O ATOM 1029 CB ASN A 66 7.146 0.666 -7.009 1.00 0.00 C ATOM 1030 CG ASN A 66 7.629 -0.766 -6.886 1.00 0.00 C ATOM 1031 OD1 ASN A 66 7.065 -1.677 -7.492 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.677 -0.972 -6.098 1.00 0.00 N ATOM 0 H ASN A 66 5.335 2.294 -6.197 1.00 0.00 H new ATOM 0 HA ASN A 66 7.415 0.698 -4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.134 0.672 -7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.777 1.200 -7.720 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.046 -1.915 -5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.114 -0.187 -5.615 1.00 0.00 H new ATOM 1039 N GLY A 67 8.739 2.831 -4.509 1.00 0.00 N ATOM 1040 CA GLY A 67 9.746 3.870 -4.411 1.00 0.00 C ATOM 1041 C GLY A 67 9.157 5.259 -4.540 1.00 0.00 C ATOM 1042 O GLY A 67 9.224 6.059 -3.606 1.00 0.00 O ATOM 0 H GLY A 67 8.489 2.392 -3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.261 3.784 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.494 3.722 -5.190 1.00 0.00 H new ATOM 1046 N ASP A 68 8.578 5.548 -5.699 1.00 0.00 N ATOM 1047 CA ASP A 68 7.973 6.850 -5.948 1.00 0.00 C ATOM 1048 C ASP A 68 7.012 6.786 -7.130 1.00 0.00 C ATOM 1049 O ASP A 68 6.825 7.771 -7.844 1.00 0.00 O ATOM 1050 CB ASP A 68 9.057 7.897 -6.213 1.00 0.00 C ATOM 1051 CG ASP A 68 8.496 9.303 -6.289 1.00 0.00 C ATOM 1052 OD1 ASP A 68 8.268 9.910 -5.222 1.00 0.00 O ATOM 1053 OD2 ASP A 68 8.286 9.798 -7.416 1.00 0.00 O ATOM 0 H ASP A 68 8.515 4.897 -6.482 1.00 0.00 H new ATOM 0 HA ASP A 68 7.410 7.137 -5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.805 7.850 -5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.566 7.661 -7.148 1.00 0.00 H new ATOM 1058 N GLN A 69 6.403 5.621 -7.331 1.00 0.00 N ATOM 1059 CA GLN A 69 5.462 5.434 -8.427 1.00 0.00 C ATOM 1060 C GLN A 69 4.200 4.729 -7.946 1.00 0.00 C ATOM 1061 O GLN A 69 4.202 4.061 -6.914 1.00 0.00 O ATOM 1062 CB GLN A 69 6.111 4.630 -9.555 1.00 0.00 C ATOM 1063 CG GLN A 69 6.510 5.474 -10.753 1.00 0.00 C ATOM 1064 CD GLN A 69 6.619 4.661 -12.028 1.00 0.00 C ATOM 1065 OE1 GLN A 69 5.645 4.505 -12.764 1.00 0.00 O ATOM 1066 NE2 GLN A 69 7.810 4.138 -12.296 1.00 0.00 N ATOM 0 H GLN A 69 6.545 4.795 -6.750 1.00 0.00 H new ATOM 0 HA GLN A 69 5.185 6.418 -8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.995 4.124 -9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.418 3.855 -9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.776 6.268 -10.894 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.466 5.956 -10.551 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.590 4.293 -11.658 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.944 3.582 -13.140 1.00 0.00 H new ATOM 1075 N TYR A 70 3.124 4.881 -8.704 1.00 0.00 N ATOM 1076 CA TYR A 70 1.853 4.260 -8.358 1.00 0.00 C ATOM 1077 C TYR A 70 1.843 2.788 -8.756 1.00 0.00 C ATOM 1078 O TYR A 70 1.597 2.449 -9.914 1.00 0.00 O ATOM 1079 CB TYR A 70 0.703 4.996 -9.046 1.00 0.00 C ATOM 1080 CG TYR A 70 -0.647 4.753 -8.409 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -0.799 4.771 -7.028 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -1.770 4.508 -9.189 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.032 4.550 -6.443 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.006 4.288 -8.612 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.132 4.310 -7.239 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.361 4.091 -6.662 1.00 0.00 O ATOM 0 H TYR A 70 3.105 5.430 -9.564 1.00 0.00 H new ATOM 0 HA TYR A 70 1.723 4.325 -7.278 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.911 6.066 -9.036 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.661 4.689 -10.091 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.060 4.961 -6.401 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.675 4.489 -10.265 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.133 4.565 -5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.869 4.100 -9.233 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.304 3.327 -6.051 1.00 0.00 H new ATOM 1096 N CYS A 71 2.117 1.919 -7.789 1.00 0.00 N ATOM 1097 CA CYS A 71 2.144 0.483 -8.038 1.00 0.00 C ATOM 1098 C CYS A 71 0.732 -0.095 -8.062 1.00 0.00 C ATOM 1099 O CYS A 71 0.348 -0.778 -9.012 1.00 0.00 O ATOM 1100 CB CYS A 71 2.978 -0.226 -6.969 1.00 0.00 C ATOM 1101 SG CYS A 71 3.846 -1.696 -7.566 1.00 0.00 S ATOM 0 H CYS A 71 2.323 2.184 -6.826 1.00 0.00 H new ATOM 0 HA CYS A 71 2.600 0.320 -9.014 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.709 0.477 -6.568 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.325 -0.512 -6.144 1.00 0.00 H new ATOM 0 HG CYS A 71 5.129 -1.513 -7.465 1.00 0.00 H new ATOM 1107 N GLY A 72 -0.039 0.183 -7.015 1.00 0.00 N ATOM 1108 CA GLY A 72 -1.398 -0.321 -6.946 1.00 0.00 C ATOM 1109 C GLY A 72 -2.059 -0.044 -5.611 1.00 0.00 C ATOM 1110 O GLY A 72 -1.913 1.042 -5.050 1.00 0.00 O ATOM 0 H GLY A 72 0.252 0.746 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.990 0.133 -7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.392 -1.396 -7.127 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.791 -1.030 -5.102 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.482 -0.891 -3.826 1.00 0.00 C ATOM 1116 C ASP A 73 -3.824 -2.261 -3.241 1.00 0.00 C ATOM 1117 O ASP A 73 -3.290 -3.282 -3.675 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.752 -0.053 -4.002 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.785 -0.737 -4.876 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -6.334 -1.773 -4.447 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -6.047 -0.235 -5.990 1.00 0.00 O ATOM 0 H ASP A 73 -2.921 -1.935 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.818 -0.381 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.187 0.151 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.490 0.910 -4.441 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.712 -2.276 -2.250 1.00 0.00 N ATOM 1127 CA TYR A 74 -5.120 -3.518 -1.601 1.00 0.00 C ATOM 1128 C TYR A 74 -5.634 -4.536 -2.618 1.00 0.00 C ATOM 1129 O TYR A 74 -5.168 -5.674 -2.659 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.202 -3.236 -0.556 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.668 -4.470 0.184 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -6.023 -4.896 1.339 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -7.753 -5.208 -0.272 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -6.447 -6.023 2.017 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -8.183 -6.336 0.402 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.526 -6.739 1.545 1.00 0.00 C ATOM 1137 OH TYR A 74 -7.951 -7.861 2.219 1.00 0.00 O ATOM 0 H TYR A 74 -5.163 -1.440 -1.879 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.244 -3.941 -1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.819 -2.514 0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.058 -2.773 -1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.177 -4.338 1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.269 -4.895 -1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.935 -6.341 2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.029 -6.898 0.035 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.723 -8.248 1.756 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.600 -4.121 -3.432 1.00 0.00 N ATOM 1148 CA GLU A 75 -7.185 -4.989 -4.441 1.00 0.00 C ATOM 1149 C GLU A 75 -6.112 -5.668 -5.291 1.00 0.00 C ATOM 1150 O GLU A 75 -6.002 -6.893 -5.303 1.00 0.00 O ATOM 1151 CB GLU A 75 -8.123 -4.175 -5.327 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.413 -4.897 -5.665 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.533 -5.225 -7.140 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -8.486 -5.436 -7.788 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -10.673 -5.271 -7.648 1.00 0.00 O ATOM 0 H GLU A 75 -6.995 -3.181 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.746 -5.774 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.361 -3.237 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.606 -3.919 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.470 -5.819 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.259 -4.279 -5.365 1.00 0.00 H new ATOM 1162 N LEU A 76 -5.328 -4.864 -6.002 1.00 0.00 N ATOM 1163 CA LEU A 76 -4.266 -5.389 -6.858 1.00 0.00 C ATOM 1164 C LEU A 76 -3.351 -6.333 -6.083 1.00 0.00 C ATOM 1165 O LEU A 76 -3.252 -7.520 -6.399 1.00 0.00 O ATOM 1166 CB LEU A 76 -3.445 -4.242 -7.449 1.00 0.00 C ATOM 1167 CG LEU A 76 -4.238 -3.251 -8.305 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.606 -2.019 -7.493 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -3.442 -2.857 -9.540 1.00 0.00 C ATOM 0 H LEU A 76 -5.407 -3.847 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.735 -5.950 -7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.972 -3.696 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.644 -4.664 -8.057 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.158 -3.737 -8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.169 -1.326 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.215 -2.315 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.697 -1.532 -7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.021 -2.152 -10.137 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.505 -2.391 -9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.229 -3.746 -10.134 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.685 -5.798 -5.064 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.777 -6.587 -4.237 1.00 0.00 C ATOM 1183 C PHE A 77 -2.423 -7.911 -3.825 1.00 0.00 C ATOM 1184 O PHE A 77 -1.870 -8.986 -4.062 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.370 -5.787 -2.996 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.554 -6.571 -2.005 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -1.159 -7.483 -1.157 1.00 0.00 C ATOM 1188 CD2 PHE A 77 0.819 -6.394 -1.924 1.00 0.00 C ATOM 1189 CE1 PHE A 77 -0.412 -8.205 -0.246 1.00 0.00 C ATOM 1190 CE2 PHE A 77 1.571 -7.113 -1.015 1.00 0.00 C ATOM 1191 CZ PHE A 77 0.955 -8.020 -0.175 1.00 0.00 C ATOM 0 H PHE A 77 -2.757 -4.818 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.887 -6.813 -4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.800 -4.913 -3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.269 -5.420 -2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.227 -7.632 -1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.306 -5.686 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.896 -8.913 0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.640 -6.966 -0.961 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.541 -8.583 0.536 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.601 -7.822 -3.213 1.00 0.00 N ATOM 1202 CA VAL A 78 -4.325 -9.008 -2.774 1.00 0.00 C ATOM 1203 C VAL A 78 -4.718 -9.877 -3.965 1.00 0.00 C ATOM 1204 O VAL A 78 -4.803 -11.100 -3.852 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.592 -8.634 -1.980 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -6.290 -9.883 -1.461 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -5.245 -7.696 -0.834 1.00 0.00 C ATOM 0 H VAL A 78 -4.073 -6.941 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.655 -9.568 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.277 -8.117 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.182 -9.596 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.575 -10.516 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.614 -10.432 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.151 -7.442 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.539 -8.186 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.795 -6.786 -1.232 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.953 -9.238 -5.107 1.00 0.00 N ATOM 1218 CA GLU A 79 -5.332 -9.956 -6.318 1.00 0.00 C ATOM 1219 C GLU A 79 -4.113 -10.580 -6.996 1.00 0.00 C ATOM 1220 O GLU A 79 -4.240 -11.264 -8.011 1.00 0.00 O ATOM 1221 CB GLU A 79 -6.045 -9.020 -7.295 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.654 -9.742 -8.486 1.00 0.00 C ATOM 1223 CD GLU A 79 -6.247 -9.128 -9.812 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -5.102 -9.367 -10.250 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -7.074 -8.409 -10.411 1.00 0.00 O ATOM 0 H GLU A 79 -4.888 -8.226 -5.219 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.012 -10.757 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.831 -8.483 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.336 -8.274 -7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.350 -10.788 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.740 -9.724 -8.400 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.931 -10.341 -6.435 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.702 -10.884 -6.993 1.00 0.00 C ATOM 1234 C ALA A 80 -1.302 -12.174 -6.282 1.00 0.00 C ATOM 1235 O ALA A 80 -1.046 -13.192 -6.923 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.585 -9.856 -6.904 1.00 0.00 C ATOM 0 H ALA A 80 -2.801 -9.776 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.878 -11.120 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.329 -10.275 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.866 -8.964 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.416 -9.592 -5.860 1.00 0.00 H new ATOM 1242 N VAL A 81 -1.259 -12.129 -4.952 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.897 -13.303 -4.160 1.00 0.00 C ATOM 1244 C VAL A 81 -1.802 -14.485 -4.497 1.00 0.00 C ATOM 1245 O VAL A 81 -1.386 -15.642 -4.433 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.994 -13.018 -2.646 1.00 0.00 C ATOM 1247 CG1 VAL A 81 -0.537 -14.226 -1.842 1.00 0.00 C ATOM 1248 CG2 VAL A 81 -0.179 -11.788 -2.273 1.00 0.00 C ATOM 0 H VAL A 81 -1.469 -11.296 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 81 0.136 -13.547 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.038 -12.820 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.613 -14.004 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.168 -15.082 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.498 -14.458 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.263 -11.607 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.867 -11.952 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.557 -10.923 -2.818 1.00 0.00 H new ATOM 1258 N GLU A 82 -3.042 -14.176 -4.851 1.00 0.00 N ATOM 1259 CA GLU A 82 -4.031 -15.191 -5.198 1.00 0.00 C ATOM 1260 C GLU A 82 -3.530 -16.114 -6.306 1.00 0.00 C ATOM 1261 O GLU A 82 -3.624 -17.337 -6.199 1.00 0.00 O ATOM 1262 CB GLU A 82 -5.321 -14.512 -5.649 1.00 0.00 C ATOM 1263 CG GLU A 82 -5.094 -13.449 -6.711 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.425 -13.939 -8.107 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -5.489 -15.171 -8.304 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -5.620 -13.092 -9.003 1.00 0.00 O ATOM 0 H GLU A 82 -3.391 -13.219 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.213 -15.798 -4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.005 -15.266 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.806 -14.057 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.705 -12.576 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.053 -13.127 -6.680 1.00 0.00 H new ATOM 1273 N GLN A 83 -3.005 -15.521 -7.373 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.497 -16.288 -8.504 1.00 0.00 C ATOM 1275 C GLN A 83 -0.982 -16.436 -8.427 1.00 0.00 C ATOM 1276 O GLN A 83 -0.349 -16.947 -9.351 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.888 -15.608 -9.818 1.00 0.00 C ATOM 1278 CG GLN A 83 -3.346 -16.578 -10.894 1.00 0.00 C ATOM 1279 CD GLN A 83 -3.142 -16.035 -12.294 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -2.115 -16.283 -12.926 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -4.122 -15.286 -12.787 1.00 0.00 N ATOM 0 H GLN A 83 -2.920 -14.510 -7.478 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.941 -17.283 -8.467 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.686 -14.892 -9.623 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.035 -15.041 -10.191 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.800 -17.516 -10.789 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.402 -16.806 -10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.956 -15.106 -12.229 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.040 -14.891 -13.724 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.405 -15.974 -7.322 1.00 0.00 N ATOM 1291 CA ASN A 84 1.032 -16.037 -7.116 1.00 0.00 C ATOM 1292 C ASN A 84 1.732 -14.963 -7.938 1.00 0.00 C ATOM 1293 O ASN A 84 2.924 -15.063 -8.229 1.00 0.00 O ATOM 1294 CB ASN A 84 1.579 -17.422 -7.476 1.00 0.00 C ATOM 1295 CG ASN A 84 2.630 -17.901 -6.494 1.00 0.00 C ATOM 1296 OD1 ASN A 84 2.509 -17.693 -5.287 1.00 0.00 O ATOM 1297 ND2 ASN A 84 3.670 -18.547 -7.009 1.00 0.00 N ATOM 0 H ASN A 84 -0.919 -15.549 -6.551 1.00 0.00 H new ATOM 0 HA ASN A 84 1.231 -15.858 -6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.758 -18.138 -7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.008 -17.391 -8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.409 -18.893 -6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.729 -18.697 -8.016 1.00 0.00 H new ATOM 1304 N THR A 85 0.979 -13.929 -8.302 1.00 0.00 N ATOM 1305 CA THR A 85 1.520 -12.830 -9.082 1.00 0.00 C ATOM 1306 C THR A 85 2.153 -11.782 -8.172 1.00 0.00 C ATOM 1307 O THR A 85 2.946 -10.957 -8.625 1.00 0.00 O ATOM 1308 CB THR A 85 0.423 -12.190 -9.938 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.861 -12.519 -9.438 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.474 -12.613 -11.390 1.00 0.00 C ATOM 0 H THR A 85 -0.009 -13.833 -8.067 1.00 0.00 H new ATOM 0 HA THR A 85 2.292 -13.229 -9.740 1.00 0.00 H new ATOM 0 HB THR A 85 0.604 -11.116 -9.883 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.538 -11.977 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.330 -12.124 -11.940 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.434 -12.326 -11.819 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.355 -13.694 -11.458 1.00 0.00 H new ATOM 1318 N LEU A 86 1.791 -11.822 -6.885 1.00 0.00 N ATOM 1319 CA LEU A 86 2.312 -10.881 -5.890 1.00 0.00 C ATOM 1320 C LEU A 86 3.729 -10.413 -6.223 1.00 0.00 C ATOM 1321 O LEU A 86 4.041 -9.228 -6.099 1.00 0.00 O ATOM 1322 CB LEU A 86 2.297 -11.523 -4.502 1.00 0.00 C ATOM 1323 CG LEU A 86 2.858 -10.647 -3.381 1.00 0.00 C ATOM 1324 CD1 LEU A 86 1.830 -9.612 -2.946 1.00 0.00 C ATOM 1325 CD2 LEU A 86 3.294 -11.503 -2.201 1.00 0.00 C ATOM 0 H LEU A 86 1.133 -12.503 -6.507 1.00 0.00 H new ATOM 0 HA LEU A 86 1.662 -10.006 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.270 -11.793 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.870 -12.450 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 86 3.733 -10.120 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.247 -8.998 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.571 -8.978 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.935 -10.118 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.690 -10.862 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.438 -12.060 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.066 -12.201 -2.524 1.00 0.00 H new ATOM 1337 N GLN A 87 4.583 -11.341 -6.649 1.00 0.00 N ATOM 1338 CA GLN A 87 5.958 -10.999 -6.998 1.00 0.00 C ATOM 1339 C GLN A 87 5.984 -9.863 -8.012 1.00 0.00 C ATOM 1340 O GLN A 87 6.589 -8.821 -7.773 1.00 0.00 O ATOM 1341 CB GLN A 87 6.700 -12.212 -7.561 1.00 0.00 C ATOM 1342 CG GLN A 87 8.049 -11.863 -8.176 1.00 0.00 C ATOM 1343 CD GLN A 87 8.895 -13.087 -8.465 1.00 0.00 C ATOM 1344 OE1 GLN A 87 9.972 -13.261 -7.896 1.00 0.00 O ATOM 1345 NE2 GLN A 87 8.410 -13.944 -9.356 1.00 0.00 N ATOM 0 H GLN A 87 4.349 -12.328 -6.760 1.00 0.00 H new ATOM 0 HA GLN A 87 6.462 -10.676 -6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.850 -12.940 -6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.077 -12.691 -8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.889 -11.310 -9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.592 -11.203 -7.500 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.512 -13.760 -9.804 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.935 -14.786 -9.592 1.00 0.00 H new ATOM 1354 N GLU A 88 5.314 -10.071 -9.143 1.00 0.00 N ATOM 1355 CA GLU A 88 5.250 -9.062 -10.198 1.00 0.00 C ATOM 1356 C GLU A 88 4.959 -7.678 -9.620 1.00 0.00 C ATOM 1357 O GLU A 88 5.319 -6.660 -10.210 1.00 0.00 O ATOM 1358 CB GLU A 88 4.176 -9.435 -11.221 1.00 0.00 C ATOM 1359 CG GLU A 88 4.548 -9.080 -12.651 1.00 0.00 C ATOM 1360 CD GLU A 88 3.347 -9.050 -13.576 1.00 0.00 C ATOM 1361 OE1 GLU A 88 2.413 -9.851 -13.362 1.00 0.00 O ATOM 1362 OE2 GLU A 88 3.340 -8.226 -14.514 1.00 0.00 O ATOM 0 H GLU A 88 4.807 -10.931 -9.353 1.00 0.00 H new ATOM 0 HA GLU A 88 6.221 -9.029 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.984 -10.506 -11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.246 -8.929 -10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.036 -8.106 -12.664 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.272 -9.804 -13.025 1.00 0.00 H new ATOM 1369 N PHE A 89 4.302 -7.652 -8.464 1.00 0.00 N ATOM 1370 CA PHE A 89 3.960 -6.400 -7.805 1.00 0.00 C ATOM 1371 C PHE A 89 4.955 -6.067 -6.696 1.00 0.00 C ATOM 1372 O PHE A 89 5.124 -4.903 -6.331 1.00 0.00 O ATOM 1373 CB PHE A 89 2.546 -6.488 -7.227 1.00 0.00 C ATOM 1374 CG PHE A 89 1.978 -5.165 -6.804 1.00 0.00 C ATOM 1375 CD1 PHE A 89 2.392 -4.563 -5.627 1.00 0.00 C ATOM 1376 CD2 PHE A 89 1.026 -4.526 -7.581 1.00 0.00 C ATOM 1377 CE1 PHE A 89 1.866 -3.347 -5.233 1.00 0.00 C ATOM 1378 CE2 PHE A 89 0.497 -3.311 -7.193 1.00 0.00 C ATOM 1379 CZ PHE A 89 0.917 -2.720 -6.017 1.00 0.00 C ATOM 0 H PHE A 89 3.996 -8.487 -7.965 1.00 0.00 H new ATOM 0 HA PHE A 89 4.003 -5.603 -8.547 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.887 -6.934 -7.972 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.556 -7.159 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.134 -5.049 -5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.694 -4.983 -8.501 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.197 -2.888 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.244 -2.823 -7.808 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.504 -1.770 -5.711 1.00 0.00 H new ATOM 1389 N LEU A 90 5.607 -7.093 -6.157 1.00 0.00 N ATOM 1390 CA LEU A 90 6.577 -6.903 -5.085 1.00 0.00 C ATOM 1391 C LEU A 90 8.007 -6.894 -5.619 1.00 0.00 C ATOM 1392 O LEU A 90 8.659 -5.850 -5.652 1.00 0.00 O ATOM 1393 CB LEU A 90 6.427 -8.007 -4.038 1.00 0.00 C ATOM 1394 CG LEU A 90 5.376 -7.740 -2.959 1.00 0.00 C ATOM 1395 CD1 LEU A 90 5.369 -8.863 -1.933 1.00 0.00 C ATOM 1396 CD2 LEU A 90 5.634 -6.401 -2.284 1.00 0.00 C ATOM 0 H LEU A 90 5.481 -8.063 -6.445 1.00 0.00 H new ATOM 0 HA LEU A 90 6.378 -5.934 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.174 -8.937 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.391 -8.160 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 90 4.396 -7.702 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.616 -8.657 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.137 -9.806 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.350 -8.932 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.877 -6.227 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.621 -6.411 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.589 -5.604 -3.027 1.00 0.00 H new ATOM 1408 N LYS A 91 8.493 -8.065 -6.021 1.00 0.00 N ATOM 1409 CA LYS A 91 9.854 -8.192 -6.539 1.00 0.00 C ATOM 1410 C LYS A 91 9.893 -8.068 -8.062 1.00 0.00 C ATOM 1411 O LYS A 91 10.968 -8.079 -8.660 1.00 0.00 O ATOM 1412 CB LYS A 91 10.465 -9.531 -6.115 1.00 0.00 C ATOM 1413 CG LYS A 91 10.016 -10.002 -4.740 1.00 0.00 C ATOM 1414 CD LYS A 91 11.198 -10.400 -3.871 1.00 0.00 C ATOM 1415 CE LYS A 91 10.748 -11.160 -2.633 1.00 0.00 C ATOM 1416 NZ LYS A 91 11.615 -10.871 -1.458 1.00 0.00 N ATOM 0 H LYS A 91 7.967 -8.939 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 91 10.440 -7.375 -6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.202 -10.289 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.551 -9.443 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.454 -9.208 -4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.341 -10.851 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.884 -11.018 -4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.748 -9.508 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.718 -10.893 -2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.761 -12.230 -2.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.275 -11.408 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.594 -11.149 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.583 -9.854 -1.245 1.00 0.00 H new ATOM 1430 N LEU A 92 8.722 -7.939 -8.683 1.00 0.00 N ATOM 1431 CA LEU A 92 8.631 -7.805 -10.133 1.00 0.00 C ATOM 1432 C LEU A 92 9.189 -9.034 -10.846 1.00 0.00 C ATOM 1433 O LEU A 92 8.435 -9.853 -11.372 1.00 0.00 O ATOM 1434 CB LEU A 92 9.361 -6.539 -10.592 1.00 0.00 C ATOM 1435 CG LEU A 92 9.013 -5.268 -9.807 1.00 0.00 C ATOM 1436 CD1 LEU A 92 7.532 -5.235 -9.458 1.00 0.00 C ATOM 1437 CD2 LEU A 92 9.858 -5.176 -8.546 1.00 0.00 C ATOM 0 H LEU A 92 7.822 -7.925 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 92 7.577 -7.723 -10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.435 -6.710 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.136 -6.370 -11.645 1.00 0.00 H new ATOM 0 HG LEU A 92 9.233 -4.407 -10.438 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.310 -4.324 -8.902 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.942 -5.254 -10.374 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.283 -6.103 -8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.599 -4.269 -8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.668 -6.045 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.914 -5.148 -8.817 1.00 0.00 H new ATOM 1449 N ALA A 93 10.509 -9.158 -10.860 1.00 0.00 N ATOM 1450 CA ALA A 93 11.165 -10.287 -11.509 1.00 0.00 C ATOM 1451 C ALA A 93 12.461 -10.654 -10.794 1.00 0.00 C ATOM 1452 O ALA A 93 12.560 -11.710 -10.170 1.00 0.00 O ATOM 1453 CB ALA A 93 11.438 -9.970 -12.971 1.00 0.00 C ATOM 0 H ALA A 93 11.148 -8.490 -10.429 1.00 0.00 H new ATOM 0 HA ALA A 93 10.495 -11.145 -11.454 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.928 -10.822 -13.443 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.497 -9.765 -13.481 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.085 -9.096 -13.039 1.00 0.00 H new ATOM 1459 N LEU A 94 13.454 -9.776 -10.891 1.00 0.00 N ATOM 1460 CA LEU A 94 14.745 -10.008 -10.255 1.00 0.00 C ATOM 1461 C LEU A 94 15.395 -11.280 -10.789 1.00 0.00 C ATOM 1462 O LEU A 94 16.129 -11.962 -10.073 1.00 0.00 O ATOM 1463 CB LEU A 94 14.579 -10.105 -8.737 1.00 0.00 C ATOM 1464 CG LEU A 94 14.502 -8.764 -8.006 1.00 0.00 C ATOM 1465 CD1 LEU A 94 14.037 -8.963 -6.572 1.00 0.00 C ATOM 1466 CD2 LEU A 94 15.852 -8.062 -8.039 1.00 0.00 C ATOM 0 H LEU A 94 13.389 -8.897 -11.404 1.00 0.00 H new ATOM 0 HA LEU A 94 15.394 -9.164 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.673 -10.671 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 94 15.415 -10.675 -8.331 1.00 0.00 H new ATOM 0 HG LEU A 94 13.774 -8.134 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 94 13.988 -7.998 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 94 13.049 -9.423 -6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 94 14.740 -9.611 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 94 15.780 -7.109 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.600 -8.688 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 94 16.145 -7.885 -9.074 1.00 0.00 H new ATOM 1478 N GLU A 95 15.121 -11.593 -12.051 1.00 0.00 N ATOM 1479 CA GLU A 95 15.680 -12.783 -12.682 1.00 0.00 C ATOM 1480 C GLU A 95 17.051 -12.490 -13.281 1.00 0.00 C ATOM 1481 O GLU A 95 17.521 -11.340 -13.146 1.00 0.00 O ATOM 1482 CB GLU A 95 14.735 -13.300 -13.769 1.00 0.00 C ATOM 1483 CG GLU A 95 14.776 -14.809 -13.944 1.00 0.00 C ATOM 1484 CD GLU A 95 13.662 -15.323 -14.834 1.00 0.00 C ATOM 1485 OE1 GLU A 95 13.247 -14.585 -15.753 1.00 0.00 O ATOM 1486 OE2 GLU A 95 13.204 -16.464 -14.613 1.00 0.00 O ATOM 0 H GLU A 95 14.515 -11.039 -12.657 1.00 0.00 H new ATOM 0 HA GLU A 95 15.796 -13.549 -11.916 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.716 -12.998 -13.526 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.991 -12.826 -14.717 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.738 -15.096 -14.370 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.705 -15.286 -12.967 1.00 0.00 H new TER 1493 GLU A 95