USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 580 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 28 HIS : no HD1:sc= -0.0168 X(o=-0.014,f=-0.018) USER MOD Set 1.2: A 56 LYS NZ :NH3+ 145:sc= 0.00328 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 2.32 (180deg=1.56) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 109:sc= 0.0302 USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= -0.0371 (180deg=-0.468) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= -0.748 (180deg=-0.774) USER MOD Single : A 14 TYR OH : rot -168:sc= 1.16 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 24 SER OG : rot 36:sc= 0.667 USER MOD Single : A 25 TYR OH : rot 164:sc= -0.79 USER MOD Single : A 30 SER OG : rot 38:sc= 1.87 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -5.88! (180deg=-6.16!) USER MOD Single : A 45 SER OG : rot 128:sc= -1.8 USER MOD Single : A 46 MET CE :methyl -155:sc= -0.0688 (180deg=-0.72) USER MOD Single : A 48 HIS : no HE2:sc= 0.0209 K(o=0.021,f=-0.51) USER MOD Single : A 52 THR OG1 : rot 81:sc= -3.24 USER MOD Single : A 54 THR OG1 : rot 140:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0044 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 70 HIS : no HD1:sc= -0.322 K(o=-0.32,f=-1.1) USER MOD Single : A 71 HIS : no HD1:sc= 0.00133 X(o=0.0013,f=-0.27) USER MOD Single : A 72 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.25) USER MOD Single : A 73 HIS : no HD1:sc= -0.304 K(o=-0.3,f=-1.1) USER MOD Single : A 74 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.933 -1.822 0.497 1.00 0.00 N ATOM 2 CA MET A 1 11.600 -0.717 1.241 1.00 0.00 C ATOM 3 C MET A 1 10.928 0.604 0.879 1.00 0.00 C ATOM 4 O MET A 1 10.184 1.164 1.655 1.00 0.00 O ATOM 5 CB MET A 1 13.079 -0.652 0.850 1.00 0.00 C ATOM 6 CG MET A 1 13.827 -1.865 1.414 1.00 0.00 C ATOM 7 SD MET A 1 13.472 -3.322 0.400 1.00 0.00 S ATOM 8 CE MET A 1 15.069 -4.149 0.613 1.00 0.00 C ATOM 0 H1 MET A 1 11.611 -2.595 0.342 1.00 0.00 H new ATOM 0 H2 MET A 1 10.126 -2.175 1.050 1.00 0.00 H new ATOM 0 H3 MET A 1 10.596 -1.468 -0.421 1.00 0.00 H new ATOM 0 HA MET A 1 11.516 -0.897 2.313 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.175 -0.628 -0.235 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.523 0.268 1.230 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.899 -1.670 1.426 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.524 -2.045 2.446 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.069 -5.088 0.060 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.865 -3.506 0.237 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.236 -4.351 1.671 1.00 0.00 H new ATOM 20 N LYS A 2 11.195 1.100 -0.302 1.00 0.00 N ATOM 21 CA LYS A 2 10.585 2.396 -0.746 1.00 0.00 C ATOM 22 C LYS A 2 9.877 2.213 -2.088 1.00 0.00 C ATOM 23 O LYS A 2 10.294 1.444 -2.931 1.00 0.00 O ATOM 24 CB LYS A 2 11.678 3.457 -0.888 1.00 0.00 C ATOM 25 CG LYS A 2 12.232 3.808 0.496 1.00 0.00 C ATOM 26 CD LYS A 2 13.308 4.890 0.358 1.00 0.00 C ATOM 27 CE LYS A 2 13.876 5.235 1.738 1.00 0.00 C ATOM 28 NZ LYS A 2 14.927 6.282 1.595 1.00 0.00 N ATOM 0 H LYS A 2 11.813 0.662 -0.985 1.00 0.00 H new ATOM 0 HA LYS A 2 9.858 2.717 -0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.478 3.086 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.274 4.349 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.428 4.160 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.653 2.920 0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.106 4.541 -0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.883 5.781 -0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.080 5.591 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.297 4.344 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.313 6.517 2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.691 5.926 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.512 7.135 1.168 1.00 0.00 H new ATOM 42 N GLY A 3 8.806 2.929 -2.277 1.00 0.00 N ATOM 43 CA GLY A 3 8.039 2.830 -3.552 1.00 0.00 C ATOM 44 C GLY A 3 6.914 3.870 -3.561 1.00 0.00 C ATOM 45 O GLY A 3 6.806 4.696 -2.675 1.00 0.00 O ATOM 0 H GLY A 3 8.424 3.586 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.704 2.992 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.622 1.829 -3.660 1.00 0.00 H new ATOM 49 N LYS A 4 6.085 3.827 -4.566 1.00 0.00 N ATOM 50 CA LYS A 4 4.954 4.799 -4.671 1.00 0.00 C ATOM 51 C LYS A 4 3.681 4.062 -5.080 1.00 0.00 C ATOM 52 O LYS A 4 3.679 3.244 -5.978 1.00 0.00 O ATOM 53 CB LYS A 4 5.293 5.853 -5.723 1.00 0.00 C ATOM 54 CG LYS A 4 4.236 6.960 -5.690 1.00 0.00 C ATOM 55 CD LYS A 4 4.490 7.961 -6.823 1.00 0.00 C ATOM 56 CE LYS A 4 5.739 8.795 -6.522 1.00 0.00 C ATOM 57 NZ LYS A 4 5.785 9.967 -7.439 1.00 0.00 N ATOM 0 H LYS A 4 6.141 3.153 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 4 4.796 5.281 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.281 6.272 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.328 5.397 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.241 6.527 -5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.264 7.472 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.617 7.429 -7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.626 8.616 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.724 9.131 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.635 8.186 -6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.633 10.534 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.818 9.636 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.936 10.551 -7.299 1.00 0.00 H new ATOM 71 N VAL A 5 2.597 4.359 -4.418 1.00 0.00 N ATOM 72 CA VAL A 5 1.309 3.689 -4.744 1.00 0.00 C ATOM 73 C VAL A 5 0.737 4.277 -6.032 1.00 0.00 C ATOM 74 O VAL A 5 0.470 5.456 -6.133 1.00 0.00 O ATOM 75 CB VAL A 5 0.326 3.876 -3.580 1.00 0.00 C ATOM 76 CG1 VAL A 5 -0.007 5.362 -3.393 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.955 3.093 -3.867 1.00 0.00 C ATOM 0 H VAL A 5 2.549 5.041 -3.661 1.00 0.00 H new ATOM 0 HA VAL A 5 1.475 2.622 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 5 0.787 3.505 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.705 5.477 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.907 5.915 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.460 5.751 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.654 3.224 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.407 3.461 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.718 2.035 -3.976 1.00 0.00 H new ATOM 87 N VAL A 6 0.557 3.446 -7.023 1.00 0.00 N ATOM 88 CA VAL A 6 0.011 3.915 -8.330 1.00 0.00 C ATOM 89 C VAL A 6 -1.510 3.782 -8.324 1.00 0.00 C ATOM 90 O VAL A 6 -2.212 4.631 -8.836 1.00 0.00 O ATOM 91 CB VAL A 6 0.601 3.063 -9.461 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.239 1.587 -9.260 1.00 0.00 C ATOM 93 CG2 VAL A 6 0.044 3.544 -10.802 1.00 0.00 C ATOM 0 H VAL A 6 0.768 2.449 -6.982 1.00 0.00 H new ATOM 0 HA VAL A 6 0.279 4.960 -8.486 1.00 0.00 H new ATOM 0 HB VAL A 6 1.686 3.165 -9.452 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.664 0.994 -10.070 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.640 1.240 -8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.845 1.475 -9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.462 2.940 -11.607 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.042 3.446 -10.801 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.314 4.589 -10.954 1.00 0.00 H new ATOM 103 N SER A 7 -2.024 2.724 -7.749 1.00 0.00 N ATOM 104 CA SER A 7 -3.508 2.530 -7.710 1.00 0.00 C ATOM 105 C SER A 7 -3.951 2.105 -6.311 1.00 0.00 C ATOM 106 O SER A 7 -3.243 1.423 -5.597 1.00 0.00 O ATOM 107 CB SER A 7 -3.908 1.453 -8.715 1.00 0.00 C ATOM 108 OG SER A 7 -3.622 1.915 -10.030 1.00 0.00 O ATOM 0 H SER A 7 -1.480 1.985 -7.304 1.00 0.00 H new ATOM 0 HA SER A 7 -3.993 3.472 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.364 0.530 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.969 1.225 -8.619 1.00 0.00 H new ATOM 0 HG SER A 7 -3.875 1.227 -10.681 1.00 0.00 H new ATOM 114 N TYR A 8 -5.129 2.509 -5.931 1.00 0.00 N ATOM 115 CA TYR A 8 -5.667 2.147 -4.589 1.00 0.00 C ATOM 116 C TYR A 8 -7.188 2.330 -4.588 1.00 0.00 C ATOM 117 O TYR A 8 -7.690 3.422 -4.767 1.00 0.00 O ATOM 118 CB TYR A 8 -5.027 3.043 -3.526 1.00 0.00 C ATOM 119 CG TYR A 8 -5.731 2.853 -2.201 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.522 1.686 -1.455 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.590 3.846 -1.717 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.172 1.515 -0.226 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.241 3.674 -0.490 1.00 0.00 C ATOM 124 CZ TYR A 8 -7.031 2.510 0.256 1.00 0.00 C ATOM 125 OH TYR A 8 -7.671 2.343 1.467 1.00 0.00 O ATOM 0 H TYR A 8 -5.751 3.083 -6.500 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.432 1.107 -4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.969 2.802 -3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.087 4.087 -3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.860 0.918 -1.827 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.751 4.746 -2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.011 0.616 0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.906 4.440 -0.119 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.281 2.951 2.129 1.00 0.00 H new ATOM 135 N LEU A 9 -7.913 1.261 -4.383 1.00 0.00 N ATOM 136 CA LEU A 9 -9.409 1.334 -4.362 1.00 0.00 C ATOM 137 C LEU A 9 -9.923 0.897 -2.988 1.00 0.00 C ATOM 138 O LEU A 9 -9.855 -0.257 -2.616 1.00 0.00 O ATOM 139 CB LEU A 9 -9.974 0.415 -5.449 1.00 0.00 C ATOM 140 CG LEU A 9 -9.368 0.804 -6.806 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.901 -0.132 -7.897 1.00 0.00 C ATOM 142 CD2 LEU A 9 -9.745 2.257 -7.146 1.00 0.00 C ATOM 0 H LEU A 9 -7.530 0.329 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.731 2.358 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.743 -0.625 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.060 0.500 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.283 0.716 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.469 0.147 -8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.627 -1.160 -7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.987 -0.049 -7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.313 2.529 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.830 2.349 -7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.359 2.923 -6.374 1.00 0.00 H new ATOM 154 N ALA A 10 -10.440 1.834 -2.244 1.00 0.00 N ATOM 155 CA ALA A 10 -10.982 1.533 -0.887 1.00 0.00 C ATOM 156 C ALA A 10 -12.227 0.650 -1.009 1.00 0.00 C ATOM 157 O ALA A 10 -12.453 -0.239 -0.209 1.00 0.00 O ATOM 158 CB ALA A 10 -11.367 2.849 -0.204 1.00 0.00 C ATOM 0 H ALA A 10 -10.512 2.813 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.226 1.011 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.765 2.641 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.486 3.485 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.125 3.359 -0.798 1.00 0.00 H new ATOM 164 N ALA A 11 -13.038 0.899 -2.000 1.00 0.00 N ATOM 165 CA ALA A 11 -14.282 0.095 -2.188 1.00 0.00 C ATOM 166 C ALA A 11 -13.921 -1.371 -2.431 1.00 0.00 C ATOM 167 O ALA A 11 -14.579 -2.271 -1.950 1.00 0.00 O ATOM 168 CB ALA A 11 -15.050 0.631 -3.399 1.00 0.00 C ATOM 0 H ALA A 11 -12.892 1.631 -2.695 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.899 0.171 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.959 0.047 -3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.312 1.676 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.426 0.552 -4.289 1.00 0.00 H new ATOM 174 N LYS A 12 -12.877 -1.613 -3.176 1.00 0.00 N ATOM 175 CA LYS A 12 -12.452 -3.020 -3.463 1.00 0.00 C ATOM 176 C LYS A 12 -11.272 -3.379 -2.553 1.00 0.00 C ATOM 177 O LYS A 12 -10.715 -4.459 -2.630 1.00 0.00 O ATOM 178 CB LYS A 12 -12.021 -3.128 -4.931 1.00 0.00 C ATOM 179 CG LYS A 12 -13.231 -2.900 -5.845 1.00 0.00 C ATOM 180 CD LYS A 12 -12.791 -2.993 -7.309 1.00 0.00 C ATOM 181 CE LYS A 12 -14.008 -2.850 -8.226 1.00 0.00 C ATOM 182 NZ LYS A 12 -14.640 -1.518 -8.011 1.00 0.00 N ATOM 0 H LYS A 12 -12.294 -0.893 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.279 -3.705 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.246 -2.392 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.590 -4.111 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.001 -3.643 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.670 -1.922 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.064 -2.212 -7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.298 -3.948 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.706 -2.957 -9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.727 -3.643 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.270 -1.300 -8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.191 -1.533 -7.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.901 -0.790 -7.945 1.00 0.00 H new ATOM 196 N LYS A 13 -10.888 -2.466 -1.697 1.00 0.00 N ATOM 197 CA LYS A 13 -9.742 -2.708 -0.766 1.00 0.00 C ATOM 198 C LYS A 13 -8.594 -3.388 -1.512 1.00 0.00 C ATOM 199 O LYS A 13 -7.924 -4.257 -0.990 1.00 0.00 O ATOM 200 CB LYS A 13 -10.193 -3.575 0.415 1.00 0.00 C ATOM 201 CG LYS A 13 -11.148 -2.765 1.301 1.00 0.00 C ATOM 202 CD LYS A 13 -11.610 -3.626 2.479 1.00 0.00 C ATOM 203 CE LYS A 13 -12.611 -2.839 3.329 1.00 0.00 C ATOM 204 NZ LYS A 13 -11.916 -1.697 3.989 1.00 0.00 N ATOM 0 H LYS A 13 -11.326 -1.550 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.393 -1.749 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.690 -4.475 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.328 -3.900 0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.648 -1.868 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.009 -2.435 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.071 -4.544 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.754 -3.919 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.424 -2.471 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.057 -3.490 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.589 -1.183 4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.133 -2.057 4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.540 -1.053 3.264 1.00 0.00 H new ATOM 218 N TYR A 14 -8.360 -2.983 -2.730 1.00 0.00 N ATOM 219 CA TYR A 14 -7.248 -3.587 -3.526 1.00 0.00 C ATOM 220 C TYR A 14 -6.654 -2.543 -4.466 1.00 0.00 C ATOM 221 O TYR A 14 -7.284 -1.561 -4.810 1.00 0.00 O ATOM 222 CB TYR A 14 -7.778 -4.757 -4.352 1.00 0.00 C ATOM 223 CG TYR A 14 -6.653 -5.329 -5.184 1.00 0.00 C ATOM 224 CD1 TYR A 14 -5.703 -6.170 -4.591 1.00 0.00 C ATOM 225 CD2 TYR A 14 -6.558 -5.016 -6.546 1.00 0.00 C ATOM 226 CE1 TYR A 14 -4.659 -6.699 -5.362 1.00 0.00 C ATOM 227 CE2 TYR A 14 -5.514 -5.546 -7.315 1.00 0.00 C ATOM 228 CZ TYR A 14 -4.566 -6.387 -6.723 1.00 0.00 C ATOM 229 OH TYR A 14 -3.537 -6.908 -7.482 1.00 0.00 O ATOM 0 H TYR A 14 -8.891 -2.258 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.478 -3.941 -2.840 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.187 -5.525 -3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.590 -4.423 -4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.775 -6.411 -3.541 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.290 -4.366 -7.003 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.926 -7.348 -4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.441 -5.305 -8.365 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.504 -6.449 -8.347 1.00 0.00 H new ATOM 239 N GLY A 15 -5.443 -2.761 -4.884 1.00 0.00 N ATOM 240 CA GLY A 15 -4.780 -1.800 -5.807 1.00 0.00 C ATOM 241 C GLY A 15 -3.403 -2.331 -6.205 1.00 0.00 C ATOM 242 O GLY A 15 -3.102 -3.499 -6.052 1.00 0.00 O ATOM 0 H GLY A 15 -4.878 -3.570 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.394 -1.653 -6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.680 -0.828 -5.324 1.00 0.00 H new ATOM 246 N PHE A 16 -2.576 -1.466 -6.716 1.00 0.00 N ATOM 247 CA PHE A 16 -1.202 -1.870 -7.142 1.00 0.00 C ATOM 248 C PHE A 16 -0.194 -0.853 -6.619 1.00 0.00 C ATOM 249 O PHE A 16 -0.520 0.286 -6.352 1.00 0.00 O ATOM 250 CB PHE A 16 -1.127 -1.914 -8.669 1.00 0.00 C ATOM 251 CG PHE A 16 -1.974 -3.054 -9.186 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.454 -4.354 -9.207 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.275 -2.814 -9.645 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.233 -5.413 -9.685 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.054 -3.873 -10.124 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.533 -5.173 -10.144 1.00 0.00 C ATOM 0 H PHE A 16 -2.794 -0.480 -6.860 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.975 -2.857 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.476 -0.970 -9.088 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.093 -2.042 -8.989 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.450 -4.539 -8.854 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.677 -1.812 -9.629 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.831 -6.415 -9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.057 -3.688 -10.478 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.135 -5.990 -10.514 1.00 0.00 H new ATOM 266 N ILE A 17 1.029 -1.273 -6.469 1.00 0.00 N ATOM 267 CA ILE A 17 2.100 -0.366 -5.959 1.00 0.00 C ATOM 268 C ILE A 17 3.341 -0.502 -6.836 1.00 0.00 C ATOM 269 O ILE A 17 3.729 -1.585 -7.222 1.00 0.00 O ATOM 270 CB ILE A 17 2.439 -0.740 -4.516 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.230 -0.449 -3.622 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.636 0.087 -4.045 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.449 -1.069 -2.240 1.00 0.00 C ATOM 0 H ILE A 17 1.340 -2.221 -6.681 1.00 0.00 H new ATOM 0 HA ILE A 17 1.751 0.666 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 17 2.687 -1.800 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.085 0.627 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.325 -0.855 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.879 -0.178 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.494 -0.118 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.389 1.147 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.587 -0.860 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.573 -2.147 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.344 -0.642 -1.787 1.00 0.00 H new ATOM 285 N GLN A 18 3.958 0.601 -7.153 1.00 0.00 N ATOM 286 CA GLN A 18 5.178 0.570 -8.013 1.00 0.00 C ATOM 287 C GLN A 18 6.427 0.565 -7.133 1.00 0.00 C ATOM 288 O GLN A 18 6.772 1.546 -6.501 1.00 0.00 O ATOM 289 CB GLN A 18 5.189 1.804 -8.923 1.00 0.00 C ATOM 290 CG GLN A 18 6.452 1.788 -9.783 1.00 0.00 C ATOM 291 CD GLN A 18 6.395 2.923 -10.806 1.00 0.00 C ATOM 292 OE1 GLN A 18 6.001 4.027 -10.488 1.00 0.00 O ATOM 293 NE2 GLN A 18 6.787 2.698 -12.031 1.00 0.00 N ATOM 0 H GLN A 18 3.669 1.532 -6.852 1.00 0.00 H new ATOM 0 HA GLN A 18 5.170 -0.332 -8.625 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.303 1.809 -9.558 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.156 2.713 -8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.334 1.898 -9.152 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.543 0.830 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.118 1.771 -12.298 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.762 3.449 -12.720 1.00 0.00 H new ATOM 302 N GLY A 19 7.101 -0.546 -7.098 1.00 0.00 N ATOM 303 CA GLY A 19 8.335 -0.671 -6.274 1.00 0.00 C ATOM 304 C GLY A 19 9.451 0.183 -6.869 1.00 0.00 C ATOM 305 O GLY A 19 9.531 0.389 -8.063 1.00 0.00 O ATOM 0 H GLY A 19 6.846 -1.388 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.132 -0.356 -5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.648 -1.714 -6.230 1.00 0.00 H new ATOM 309 N ASP A 20 10.319 0.674 -6.030 1.00 0.00 N ATOM 310 CA ASP A 20 11.448 1.515 -6.513 1.00 0.00 C ATOM 311 C ASP A 20 12.420 0.643 -7.310 1.00 0.00 C ATOM 312 O ASP A 20 13.176 1.126 -8.133 1.00 0.00 O ATOM 313 CB ASP A 20 12.176 2.136 -5.312 1.00 0.00 C ATOM 314 CG ASP A 20 12.661 1.041 -4.352 1.00 0.00 C ATOM 315 OD1 ASP A 20 12.329 -0.111 -4.573 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.364 1.380 -3.412 1.00 0.00 O ATOM 0 H ASP A 20 10.294 0.527 -5.021 1.00 0.00 H new ATOM 0 HA ASP A 20 11.066 2.311 -7.151 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.025 2.726 -5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.507 2.818 -4.787 1.00 0.00 H new ATOM 321 N ASP A 21 12.398 -0.637 -7.069 1.00 0.00 N ATOM 322 CA ASP A 21 13.309 -1.565 -7.798 1.00 0.00 C ATOM 323 C ASP A 21 12.770 -1.777 -9.215 1.00 0.00 C ATOM 324 O ASP A 21 13.372 -2.449 -10.029 1.00 0.00 O ATOM 325 CB ASP A 21 13.359 -2.898 -7.043 1.00 0.00 C ATOM 326 CG ASP A 21 14.462 -3.784 -7.620 1.00 0.00 C ATOM 327 OD1 ASP A 21 15.048 -3.397 -8.619 1.00 0.00 O ATOM 328 OD2 ASP A 21 14.707 -4.838 -7.052 1.00 0.00 O ATOM 0 H ASP A 21 11.782 -1.086 -6.391 1.00 0.00 H new ATOM 0 HA ASP A 21 14.314 -1.148 -7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.542 -2.719 -5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.397 -3.405 -7.119 1.00 0.00 H new ATOM 333 N GLY A 22 11.636 -1.197 -9.508 1.00 0.00 N ATOM 334 CA GLY A 22 11.030 -1.333 -10.869 1.00 0.00 C ATOM 335 C GLY A 22 9.948 -2.413 -10.842 1.00 0.00 C ATOM 336 O GLY A 22 9.099 -2.478 -11.707 1.00 0.00 O ATOM 0 H GLY A 22 11.096 -0.628 -8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.601 -0.382 -11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.799 -1.592 -11.597 1.00 0.00 H new ATOM 340 N GLU A 23 9.981 -3.265 -9.853 1.00 0.00 N ATOM 341 CA GLU A 23 8.969 -4.360 -9.759 1.00 0.00 C ATOM 342 C GLU A 23 7.735 -3.879 -8.999 1.00 0.00 C ATOM 343 O GLU A 23 7.820 -3.314 -7.926 1.00 0.00 O ATOM 344 CB GLU A 23 9.594 -5.560 -9.040 1.00 0.00 C ATOM 345 CG GLU A 23 9.814 -5.227 -7.560 1.00 0.00 C ATOM 346 CD GLU A 23 10.734 -6.272 -6.926 1.00 0.00 C ATOM 347 OE1 GLU A 23 10.529 -7.448 -7.180 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.626 -5.879 -6.192 1.00 0.00 O ATOM 0 H GLU A 23 10.670 -3.250 -9.101 1.00 0.00 H new ATOM 0 HA GLU A 23 8.661 -4.654 -10.763 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.943 -6.430 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.543 -5.821 -9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.254 -4.234 -7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.858 -5.205 -7.037 1.00 0.00 H new ATOM 355 N SER A 24 6.586 -4.108 -9.563 1.00 0.00 N ATOM 356 CA SER A 24 5.315 -3.682 -8.916 1.00 0.00 C ATOM 357 C SER A 24 4.968 -4.629 -7.772 1.00 0.00 C ATOM 358 O SER A 24 5.227 -5.813 -7.827 1.00 0.00 O ATOM 359 CB SER A 24 4.192 -3.709 -9.954 1.00 0.00 C ATOM 360 OG SER A 24 2.951 -3.461 -9.309 1.00 0.00 O ATOM 0 H SER A 24 6.470 -4.580 -10.460 1.00 0.00 H new ATOM 0 HA SER A 24 5.433 -2.673 -8.520 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.373 -2.957 -10.722 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.168 -4.677 -10.455 1.00 0.00 H new ATOM 0 HG SER A 24 3.083 -2.819 -8.581 1.00 0.00 H new ATOM 366 N TYR A 25 4.373 -4.102 -6.733 1.00 0.00 N ATOM 367 CA TYR A 25 3.985 -4.942 -5.555 1.00 0.00 C ATOM 368 C TYR A 25 2.467 -4.930 -5.378 1.00 0.00 C ATOM 369 O TYR A 25 1.810 -3.921 -5.538 1.00 0.00 O ATOM 370 CB TYR A 25 4.659 -4.390 -4.293 1.00 0.00 C ATOM 371 CG TYR A 25 6.115 -4.790 -4.289 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.477 -6.081 -3.889 1.00 0.00 C ATOM 373 CD2 TYR A 25 7.101 -3.879 -4.685 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.824 -6.463 -3.883 1.00 0.00 C ATOM 375 CE2 TYR A 25 8.448 -4.261 -4.680 1.00 0.00 C ATOM 376 CZ TYR A 25 8.809 -5.553 -4.279 1.00 0.00 C ATOM 377 OH TYR A 25 10.136 -5.928 -4.275 1.00 0.00 O ATOM 0 H TYR A 25 4.136 -3.114 -6.648 1.00 0.00 H new ATOM 0 HA TYR A 25 4.311 -5.968 -5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.568 -3.304 -4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.162 -4.776 -3.403 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.716 -6.784 -3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.823 -2.882 -4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.102 -7.459 -3.573 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.209 -3.558 -4.986 1.00 0.00 H new ATOM 0 HH TYR A 25 10.657 -5.292 -4.807 1.00 0.00 H new ATOM 387 N PHE A 26 1.921 -6.066 -5.049 1.00 0.00 N ATOM 388 CA PHE A 26 0.447 -6.184 -4.854 1.00 0.00 C ATOM 389 C PHE A 26 0.039 -5.512 -3.553 1.00 0.00 C ATOM 390 O PHE A 26 0.745 -5.551 -2.566 1.00 0.00 O ATOM 391 CB PHE A 26 0.059 -7.670 -4.807 1.00 0.00 C ATOM 392 CG PHE A 26 -0.009 -8.217 -6.214 1.00 0.00 C ATOM 393 CD1 PHE A 26 1.165 -8.401 -6.954 1.00 0.00 C ATOM 394 CD2 PHE A 26 -1.251 -8.533 -6.781 1.00 0.00 C ATOM 395 CE1 PHE A 26 1.096 -8.905 -8.258 1.00 0.00 C ATOM 396 CE2 PHE A 26 -1.319 -9.036 -8.084 1.00 0.00 C ATOM 397 CZ PHE A 26 -0.144 -9.221 -8.824 1.00 0.00 C ATOM 0 H PHE A 26 2.440 -6.932 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.065 -5.695 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.790 -8.229 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.905 -7.790 -4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.122 -8.154 -6.519 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.157 -8.388 -6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.002 -9.050 -8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.276 -9.282 -8.519 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.195 -9.607 -9.831 1.00 0.00 H new ATOM 407 N LEU A 27 -1.107 -4.890 -3.555 1.00 0.00 N ATOM 408 CA LEU A 27 -1.596 -4.193 -2.333 1.00 0.00 C ATOM 409 C LEU A 27 -2.759 -4.974 -1.726 1.00 0.00 C ATOM 410 O LEU A 27 -3.790 -5.158 -2.339 1.00 0.00 O ATOM 411 CB LEU A 27 -2.070 -2.786 -2.720 1.00 0.00 C ATOM 412 CG LEU A 27 -2.196 -1.918 -1.458 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.406 -0.455 -1.858 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.379 -2.400 -0.591 1.00 0.00 C ATOM 0 H LEU A 27 -1.732 -4.834 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.791 -4.125 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.365 -2.333 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.031 -2.843 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.278 -2.006 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.495 0.158 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.556 -0.113 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.317 -0.367 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.456 -1.776 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.303 -2.329 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.215 -3.436 -0.295 1.00 0.00 H new ATOM 426 N HIS A 28 -2.590 -5.418 -0.507 1.00 0.00 N ATOM 427 CA HIS A 28 -3.674 -6.178 0.194 1.00 0.00 C ATOM 428 C HIS A 28 -3.919 -5.560 1.569 1.00 0.00 C ATOM 429 O HIS A 28 -3.015 -5.358 2.359 1.00 0.00 O ATOM 430 CB HIS A 28 -3.267 -7.651 0.343 1.00 0.00 C ATOM 431 CG HIS A 28 -3.550 -8.382 -0.944 1.00 0.00 C ATOM 432 ND1 HIS A 28 -2.698 -8.321 -2.035 1.00 0.00 N ATOM 433 CD2 HIS A 28 -4.592 -9.191 -1.327 1.00 0.00 C ATOM 434 CE1 HIS A 28 -3.237 -9.073 -3.012 1.00 0.00 C ATOM 435 NE2 HIS A 28 -4.393 -9.626 -2.632 1.00 0.00 N ATOM 0 H HIS A 28 -1.739 -5.286 0.040 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.591 -6.126 -0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.208 -7.724 0.590 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.818 -8.111 1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.438 -9.450 -0.708 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.790 -9.213 -3.985 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.999 -10.236 -3.181 1.00 0.00 H new ATOM 443 N PHE A 29 -5.155 -5.264 1.840 1.00 0.00 N ATOM 444 CA PHE A 29 -5.543 -4.655 3.140 1.00 0.00 C ATOM 445 C PHE A 29 -5.259 -5.638 4.285 1.00 0.00 C ATOM 446 O PHE A 29 -4.917 -5.250 5.386 1.00 0.00 O ATOM 447 CB PHE A 29 -7.048 -4.331 3.102 1.00 0.00 C ATOM 448 CG PHE A 29 -7.856 -5.604 3.258 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.147 -6.085 4.540 1.00 0.00 C ATOM 450 CD2 PHE A 29 -8.307 -6.301 2.131 1.00 0.00 C ATOM 451 CE1 PHE A 29 -8.888 -7.258 4.698 1.00 0.00 C ATOM 452 CE2 PHE A 29 -9.050 -7.479 2.289 1.00 0.00 C ATOM 453 CZ PHE A 29 -9.341 -7.958 3.572 1.00 0.00 C ATOM 0 H PHE A 29 -5.933 -5.422 1.199 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.967 -3.745 3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.298 -3.632 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.300 -3.844 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.798 -5.548 5.409 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.083 -5.932 1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.112 -7.626 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.398 -8.018 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.914 -8.866 3.694 1.00 0.00 H new ATOM 463 N SER A 30 -5.431 -6.902 4.028 1.00 0.00 N ATOM 464 CA SER A 30 -5.203 -7.934 5.082 1.00 0.00 C ATOM 465 C SER A 30 -3.736 -7.939 5.526 1.00 0.00 C ATOM 466 O SER A 30 -3.431 -8.212 6.672 1.00 0.00 O ATOM 467 CB SER A 30 -5.569 -9.313 4.527 1.00 0.00 C ATOM 468 OG SER A 30 -6.984 -9.422 4.438 1.00 0.00 O ATOM 0 H SER A 30 -5.723 -7.271 3.123 1.00 0.00 H new ATOM 0 HA SER A 30 -5.828 -7.699 5.943 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.119 -9.453 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.172 -10.095 5.174 1.00 0.00 H new ATOM 0 HG SER A 30 -7.361 -8.564 4.152 1.00 0.00 H new ATOM 474 N GLU A 31 -2.828 -7.654 4.632 1.00 0.00 N ATOM 475 CA GLU A 31 -1.380 -7.657 5.007 1.00 0.00 C ATOM 476 C GLU A 31 -1.062 -6.433 5.868 1.00 0.00 C ATOM 477 O GLU A 31 0.068 -6.214 6.256 1.00 0.00 O ATOM 478 CB GLU A 31 -0.525 -7.647 3.731 1.00 0.00 C ATOM 479 CG GLU A 31 -0.672 -8.995 3.014 1.00 0.00 C ATOM 480 CD GLU A 31 0.056 -8.961 1.667 1.00 0.00 C ATOM 481 OE1 GLU A 31 0.576 -7.915 1.317 1.00 0.00 O ATOM 482 OE2 GLU A 31 0.080 -9.988 1.006 1.00 0.00 O ATOM 0 H GLU A 31 -3.023 -7.419 3.659 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.154 -8.555 5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.840 -6.836 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.521 -7.467 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.264 -9.792 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.727 -9.220 2.859 1.00 0.00 H new ATOM 489 N LEU A 32 -2.054 -5.646 6.178 1.00 0.00 N ATOM 490 CA LEU A 32 -1.821 -4.440 7.026 1.00 0.00 C ATOM 491 C LEU A 32 -1.754 -4.845 8.497 1.00 0.00 C ATOM 492 O LEU A 32 -2.465 -5.719 8.950 1.00 0.00 O ATOM 493 CB LEU A 32 -2.962 -3.436 6.823 1.00 0.00 C ATOM 494 CG LEU A 32 -3.023 -3.007 5.350 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.229 -2.085 5.140 1.00 0.00 C ATOM 496 CD2 LEU A 32 -1.735 -2.263 4.967 1.00 0.00 C ATOM 0 H LEU A 32 -3.020 -5.785 5.880 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.877 -3.979 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.910 -3.884 7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.809 -2.564 7.459 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.123 -3.892 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.275 -1.779 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.144 -2.617 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.127 -1.203 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.786 -1.962 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.626 -1.378 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.878 -2.920 5.114 1.00 0.00 H new ATOM 508 N LEU A 33 -0.901 -4.200 9.242 1.00 0.00 N ATOM 509 CA LEU A 33 -0.767 -4.510 10.694 1.00 0.00 C ATOM 510 C LEU A 33 -2.085 -4.186 11.392 1.00 0.00 C ATOM 511 O LEU A 33 -2.535 -4.908 12.259 1.00 0.00 O ATOM 512 CB LEU A 33 0.360 -3.660 11.295 1.00 0.00 C ATOM 513 CG LEU A 33 1.715 -4.110 10.726 1.00 0.00 C ATOM 514 CD1 LEU A 33 2.805 -3.120 11.153 1.00 0.00 C ATOM 515 CD2 LEU A 33 2.068 -5.523 11.240 1.00 0.00 C ATOM 0 H LEU A 33 -0.283 -3.462 8.903 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.530 -5.565 10.829 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.193 -2.607 11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.361 -3.757 12.381 1.00 0.00 H new ATOM 0 HG LEU A 33 1.651 -4.136 9.638 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.766 -3.440 10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.564 -2.127 10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.861 -3.088 12.241 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.030 -5.830 10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.125 -5.510 12.328 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.298 -6.227 10.925 1.00 0.00 H new ATOM 527 N ASP A 34 -2.703 -3.099 11.012 1.00 0.00 N ATOM 528 CA ASP A 34 -4.007 -2.703 11.630 1.00 0.00 C ATOM 529 C ASP A 34 -4.949 -2.219 10.525 1.00 0.00 C ATOM 530 O ASP A 34 -4.846 -1.113 10.032 1.00 0.00 O ATOM 531 CB ASP A 34 -3.777 -1.607 12.683 1.00 0.00 C ATOM 532 CG ASP A 34 -2.855 -0.507 12.138 1.00 0.00 C ATOM 533 OD1 ASP A 34 -2.812 -0.332 10.934 1.00 0.00 O ATOM 534 OD2 ASP A 34 -2.207 0.140 12.945 1.00 0.00 O ATOM 0 H ASP A 34 -2.359 -2.462 10.294 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.460 -3.557 12.133 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.733 -1.173 12.977 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.337 -2.045 13.579 1.00 0.00 H new ATOM 539 N LYS A 35 -5.867 -3.065 10.134 1.00 0.00 N ATOM 540 CA LYS A 35 -6.835 -2.709 9.053 1.00 0.00 C ATOM 541 C LYS A 35 -7.509 -1.371 9.385 1.00 0.00 C ATOM 542 O LYS A 35 -8.232 -0.815 8.582 1.00 0.00 O ATOM 543 CB LYS A 35 -7.901 -3.809 8.938 1.00 0.00 C ATOM 544 CG LYS A 35 -7.257 -5.107 8.429 1.00 0.00 C ATOM 545 CD LYS A 35 -8.345 -6.148 8.129 1.00 0.00 C ATOM 546 CE LYS A 35 -8.989 -6.633 9.433 1.00 0.00 C ATOM 547 NZ LYS A 35 -9.746 -7.891 9.179 1.00 0.00 N ATOM 0 H LYS A 35 -5.989 -4.000 10.523 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.303 -2.619 8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.367 -3.980 9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.691 -3.493 8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.676 -4.906 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.565 -5.497 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.105 -5.713 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.912 -6.993 7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.221 -6.805 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.658 -5.868 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.182 -8.219 10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.488 -7.713 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.097 -8.621 8.822 1.00 0.00 H new ATOM 561 N LYS A 36 -7.269 -0.852 10.557 1.00 0.00 N ATOM 562 CA LYS A 36 -7.880 0.454 10.944 1.00 0.00 C ATOM 563 C LYS A 36 -7.260 1.571 10.099 1.00 0.00 C ATOM 564 O LYS A 36 -7.880 2.580 9.825 1.00 0.00 O ATOM 565 CB LYS A 36 -7.623 0.709 12.445 1.00 0.00 C ATOM 566 CG LYS A 36 -6.257 1.376 12.666 1.00 0.00 C ATOM 567 CD LYS A 36 -5.942 1.415 14.158 1.00 0.00 C ATOM 568 CE LYS A 36 -4.601 2.110 14.368 1.00 0.00 C ATOM 569 NZ LYS A 36 -4.275 2.136 15.824 1.00 0.00 N ATOM 0 H LYS A 36 -6.673 -1.277 11.268 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.955 0.433 10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.411 1.344 12.849 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.663 -0.234 12.990 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.481 0.824 12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.265 2.387 12.259 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.728 1.946 14.694 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.908 0.403 14.562 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.818 1.587 13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.641 3.126 13.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.360 2.610 15.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.017 2.654 16.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.220 1.162 16.185 1.00 0.00 H new ATOM 583 N ASP A 37 -6.026 1.394 9.709 1.00 0.00 N ATOM 584 CA ASP A 37 -5.331 2.435 8.901 1.00 0.00 C ATOM 585 C ASP A 37 -5.777 2.325 7.446 1.00 0.00 C ATOM 586 O ASP A 37 -5.379 3.104 6.603 1.00 0.00 O ATOM 587 CB ASP A 37 -3.812 2.228 8.992 1.00 0.00 C ATOM 588 CG ASP A 37 -3.447 0.801 8.562 1.00 0.00 C ATOM 589 OD1 ASP A 37 -4.314 0.117 8.042 1.00 0.00 O ATOM 590 OD2 ASP A 37 -2.305 0.422 8.756 1.00 0.00 O ATOM 0 H ASP A 37 -5.467 0.567 9.918 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.582 3.424 9.285 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.300 2.950 8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.473 2.406 10.013 1.00 0.00 H new ATOM 595 N GLU A 38 -6.600 1.360 7.156 1.00 0.00 N ATOM 596 CA GLU A 38 -7.089 1.168 5.760 1.00 0.00 C ATOM 597 C GLU A 38 -7.602 2.502 5.208 1.00 0.00 C ATOM 598 O GLU A 38 -7.344 2.854 4.073 1.00 0.00 O ATOM 599 CB GLU A 38 -8.235 0.144 5.777 1.00 0.00 C ATOM 600 CG GLU A 38 -8.731 -0.134 4.353 1.00 0.00 C ATOM 601 CD GLU A 38 -7.651 -0.876 3.561 1.00 0.00 C ATOM 602 OE1 GLU A 38 -6.672 -1.282 4.164 1.00 0.00 O ATOM 603 OE2 GLU A 38 -7.823 -1.024 2.362 1.00 0.00 O ATOM 0 H GLU A 38 -6.960 0.687 7.832 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.277 0.809 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.894 -0.784 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.056 0.519 6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.644 -0.729 4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.980 0.803 3.856 1.00 0.00 H new ATOM 610 N GLY A 39 -8.323 3.240 6.003 1.00 0.00 N ATOM 611 CA GLY A 39 -8.861 4.554 5.540 1.00 0.00 C ATOM 612 C GLY A 39 -7.813 5.646 5.755 1.00 0.00 C ATOM 613 O GLY A 39 -7.984 6.776 5.344 1.00 0.00 O ATOM 0 H GLY A 39 -8.566 2.990 6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.129 4.497 4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.772 4.798 6.087 1.00 0.00 H new ATOM 617 N LYS A 40 -6.730 5.316 6.406 1.00 0.00 N ATOM 618 CA LYS A 40 -5.659 6.327 6.662 1.00 0.00 C ATOM 619 C LYS A 40 -4.588 6.225 5.572 1.00 0.00 C ATOM 620 O LYS A 40 -3.601 6.934 5.589 1.00 0.00 O ATOM 621 CB LYS A 40 -5.029 6.050 8.035 1.00 0.00 C ATOM 622 CG LYS A 40 -4.349 7.321 8.557 1.00 0.00 C ATOM 623 CD LYS A 40 -3.828 7.097 9.984 1.00 0.00 C ATOM 624 CE LYS A 40 -4.978 7.211 10.994 1.00 0.00 C ATOM 625 NZ LYS A 40 -4.426 7.259 12.373 1.00 0.00 N ATOM 0 H LYS A 40 -6.539 4.384 6.774 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.086 7.330 6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.795 5.721 8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.301 5.243 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.524 7.597 7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.056 8.151 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.365 6.113 10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.057 7.831 10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.564 8.108 10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.652 6.361 10.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.206 7.336 13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.886 6.391 12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.800 8.084 12.468 1.00 0.00 H new ATOM 639 N LEU A 41 -4.781 5.343 4.633 1.00 0.00 N ATOM 640 CA LEU A 41 -3.780 5.170 3.537 1.00 0.00 C ATOM 641 C LEU A 41 -3.742 6.420 2.669 1.00 0.00 C ATOM 642 O LEU A 41 -4.709 7.146 2.568 1.00 0.00 O ATOM 643 CB LEU A 41 -4.169 3.965 2.671 1.00 0.00 C ATOM 644 CG LEU A 41 -4.170 2.692 3.530 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.638 1.502 2.685 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.751 2.420 4.067 1.00 0.00 C ATOM 0 H LEU A 41 -5.593 4.729 4.575 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.796 5.004 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.155 4.122 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.467 3.857 1.844 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.850 2.829 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.638 0.599 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.646 1.691 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.963 1.368 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.759 1.516 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.064 2.288 3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.424 3.263 4.675 1.00 0.00 H new ATOM 658 N VAL A 42 -2.618 6.674 2.049 1.00 0.00 N ATOM 659 CA VAL A 42 -2.477 7.887 1.184 1.00 0.00 C ATOM 660 C VAL A 42 -2.256 7.465 -0.268 1.00 0.00 C ATOM 661 O VAL A 42 -1.380 6.689 -0.588 1.00 0.00 O ATOM 662 CB VAL A 42 -1.288 8.723 1.674 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.009 7.910 1.603 1.00 0.00 C ATOM 664 CG2 VAL A 42 -1.160 9.972 0.804 1.00 0.00 C ATOM 0 H VAL A 42 -1.784 6.089 2.105 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.387 8.484 1.242 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.460 9.009 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.841 8.520 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.082 7.024 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.192 7.606 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.316 10.570 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.998 9.678 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.075 10.560 0.875 1.00 0.00 H new ATOM 674 N LYS A 43 -3.075 7.984 -1.142 1.00 0.00 N ATOM 675 CA LYS A 43 -2.983 7.650 -2.594 1.00 0.00 C ATOM 676 C LYS A 43 -2.239 8.750 -3.360 1.00 0.00 C ATOM 677 O LYS A 43 -2.439 9.930 -3.141 1.00 0.00 O ATOM 678 CB LYS A 43 -4.398 7.505 -3.162 1.00 0.00 C ATOM 679 CG LYS A 43 -4.325 7.066 -4.625 1.00 0.00 C ATOM 680 CD LYS A 43 -5.743 6.868 -5.172 1.00 0.00 C ATOM 681 CE LYS A 43 -5.676 6.414 -6.634 1.00 0.00 C ATOM 682 NZ LYS A 43 -5.367 4.958 -6.690 1.00 0.00 N ATOM 0 H LYS A 43 -3.820 8.639 -0.906 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.432 6.717 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.960 6.774 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.931 8.453 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.798 7.816 -5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.759 6.139 -4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.273 6.126 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.305 7.799 -5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.625 6.614 -7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.911 6.979 -7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.537 4.604 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.370 4.805 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.978 4.447 -6.021 1.00 0.00 H new ATOM 696 N GLY A 44 -1.398 8.353 -4.275 1.00 0.00 N ATOM 697 CA GLY A 44 -0.635 9.332 -5.107 1.00 0.00 C ATOM 698 C GLY A 44 0.603 9.828 -4.361 1.00 0.00 C ATOM 699 O GLY A 44 1.097 10.908 -4.621 1.00 0.00 O ATOM 0 H GLY A 44 -1.203 7.374 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.337 8.864 -6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.275 10.177 -5.361 1.00 0.00 H new ATOM 703 N SER A 45 1.114 9.055 -3.437 1.00 0.00 N ATOM 704 CA SER A 45 2.326 9.500 -2.678 1.00 0.00 C ATOM 705 C SER A 45 3.246 8.316 -2.376 1.00 0.00 C ATOM 706 O SER A 45 2.988 7.185 -2.748 1.00 0.00 O ATOM 707 CB SER A 45 1.893 10.143 -1.365 1.00 0.00 C ATOM 708 OG SER A 45 3.047 10.519 -0.630 1.00 0.00 O ATOM 0 H SER A 45 0.748 8.140 -3.175 1.00 0.00 H new ATOM 0 HA SER A 45 2.871 10.220 -3.289 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.271 11.016 -1.561 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.289 9.445 -0.786 1.00 0.00 H new ATOM 0 HG SER A 45 2.975 11.461 -0.368 1.00 0.00 H new ATOM 714 N MET A 46 4.332 8.595 -1.708 1.00 0.00 N ATOM 715 CA MET A 46 5.323 7.537 -1.361 1.00 0.00 C ATOM 716 C MET A 46 4.835 6.720 -0.175 1.00 0.00 C ATOM 717 O MET A 46 4.174 7.216 0.713 1.00 0.00 O ATOM 718 CB MET A 46 6.661 8.193 -1.007 1.00 0.00 C ATOM 719 CG MET A 46 7.266 8.824 -2.263 1.00 0.00 C ATOM 720 SD MET A 46 8.901 9.500 -1.874 1.00 0.00 S ATOM 721 CE MET A 46 8.352 10.897 -0.864 1.00 0.00 C ATOM 0 H MET A 46 4.578 9.530 -1.382 1.00 0.00 H new ATOM 0 HA MET A 46 5.447 6.875 -2.218 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.514 8.953 -0.240 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.344 7.451 -0.594 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.348 8.078 -3.054 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.614 9.614 -2.636 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.109 11.681 -0.885 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.415 11.287 -1.261 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.200 10.566 0.163 1.00 0.00 H new ATOM 731 N VAL A 47 5.167 5.459 -0.162 1.00 0.00 N ATOM 732 CA VAL A 47 4.742 4.566 0.958 1.00 0.00 C ATOM 733 C VAL A 47 5.918 3.708 1.405 1.00 0.00 C ATOM 734 O VAL A 47 6.892 3.549 0.698 1.00 0.00 O ATOM 735 CB VAL A 47 3.602 3.661 0.492 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.369 4.514 0.192 1.00 0.00 C ATOM 737 CG2 VAL A 47 4.014 2.902 -0.776 1.00 0.00 C ATOM 0 H VAL A 47 5.721 5.002 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 47 4.401 5.178 1.793 1.00 0.00 H new ATOM 0 HB VAL A 47 3.374 2.942 1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.554 3.871 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.066 5.046 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.606 5.234 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.194 2.260 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.250 3.615 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.892 2.291 -0.565 1.00 0.00 H new ATOM 747 N HIS A 48 5.823 3.161 2.585 1.00 0.00 N ATOM 748 CA HIS A 48 6.918 2.301 3.127 1.00 0.00 C ATOM 749 C HIS A 48 6.394 0.890 3.365 1.00 0.00 C ATOM 750 O HIS A 48 5.408 0.678 4.041 1.00 0.00 O ATOM 751 CB HIS A 48 7.416 2.895 4.445 1.00 0.00 C ATOM 752 CG HIS A 48 8.489 2.009 5.012 1.00 0.00 C ATOM 753 ND1 HIS A 48 9.740 1.901 4.428 1.00 0.00 N ATOM 754 CD2 HIS A 48 8.512 1.182 6.107 1.00 0.00 C ATOM 755 CE1 HIS A 48 10.459 1.037 5.168 1.00 0.00 C ATOM 756 NE2 HIS A 48 9.758 0.569 6.204 1.00 0.00 N ATOM 0 H HIS A 48 5.023 3.274 3.207 1.00 0.00 H new ATOM 0 HA HIS A 48 7.739 2.259 2.411 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.806 3.899 4.281 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.591 2.985 5.152 1.00 0.00 H new ATOM 0 HD1 HIS A 48 10.058 2.388 3.590 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.689 1.030 6.789 1.00 0.00 H new ATOM 0 HE1 HIS A 48 11.479 0.756 4.951 1.00 0.00 H new ATOM 764 N PHE A 49 7.063 -0.075 2.802 1.00 0.00 N ATOM 765 CA PHE A 49 6.639 -1.491 2.972 1.00 0.00 C ATOM 766 C PHE A 49 7.856 -2.396 2.868 1.00 0.00 C ATOM 767 O PHE A 49 8.859 -2.045 2.276 1.00 0.00 O ATOM 768 CB PHE A 49 5.627 -1.868 1.894 1.00 0.00 C ATOM 769 CG PHE A 49 6.272 -1.811 0.527 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.903 -2.947 0.001 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.229 -0.629 -0.220 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.491 -2.899 -1.269 1.00 0.00 C ATOM 773 CE2 PHE A 49 6.815 -0.581 -1.491 1.00 0.00 C ATOM 774 CZ PHE A 49 7.447 -1.715 -2.015 1.00 0.00 C ATOM 0 H PHE A 49 7.894 0.058 2.225 1.00 0.00 H new ATOM 0 HA PHE A 49 6.174 -1.611 3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.243 -2.871 2.081 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.776 -1.188 1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.936 -3.861 0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.744 0.247 0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.978 -3.774 -1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.779 0.332 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.900 -1.677 -2.994 1.00 0.00 H new ATOM 784 N ASP A 50 7.769 -3.557 3.455 1.00 0.00 N ATOM 785 CA ASP A 50 8.911 -4.515 3.431 1.00 0.00 C ATOM 786 C ASP A 50 8.594 -5.671 2.473 1.00 0.00 C ATOM 787 O ASP A 50 7.451 -5.890 2.111 1.00 0.00 O ATOM 788 CB ASP A 50 9.144 -5.064 4.852 1.00 0.00 C ATOM 789 CG ASP A 50 8.738 -4.009 5.879 1.00 0.00 C ATOM 790 OD1 ASP A 50 8.793 -2.837 5.544 1.00 0.00 O ATOM 791 OD2 ASP A 50 8.384 -4.391 6.979 1.00 0.00 O ATOM 0 H ASP A 50 6.945 -3.887 3.957 1.00 0.00 H new ATOM 0 HA ASP A 50 9.810 -4.004 3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.563 -5.974 5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.193 -5.330 4.983 1.00 0.00 H new ATOM 796 N PRO A 51 9.597 -6.413 2.073 1.00 0.00 N ATOM 797 CA PRO A 51 9.420 -7.572 1.146 1.00 0.00 C ATOM 798 C PRO A 51 8.450 -8.626 1.694 1.00 0.00 C ATOM 799 O PRO A 51 8.345 -8.842 2.886 1.00 0.00 O ATOM 800 CB PRO A 51 10.841 -8.154 1.006 1.00 0.00 C ATOM 801 CG PRO A 51 11.756 -7.040 1.396 1.00 0.00 C ATOM 802 CD PRO A 51 11.011 -6.236 2.447 1.00 0.00 C ATOM 0 HA PRO A 51 8.984 -7.262 0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.978 -9.021 1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.034 -8.484 -0.015 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.695 -7.427 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.006 -6.420 0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.210 -6.607 3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.303 -5.186 2.431 1.00 0.00 H new ATOM 810 N THR A 52 7.737 -9.273 0.816 1.00 0.00 N ATOM 811 CA THR A 52 6.760 -10.312 1.246 1.00 0.00 C ATOM 812 C THR A 52 6.617 -11.376 0.146 1.00 0.00 C ATOM 813 O THR A 52 5.759 -11.275 -0.709 1.00 0.00 O ATOM 814 CB THR A 52 5.404 -9.645 1.485 1.00 0.00 C ATOM 815 OG1 THR A 52 5.601 -8.416 2.169 1.00 0.00 O ATOM 816 CG2 THR A 52 4.523 -10.570 2.328 1.00 0.00 C ATOM 0 H THR A 52 7.790 -9.125 -0.192 1.00 0.00 H new ATOM 0 HA THR A 52 7.109 -10.789 2.162 1.00 0.00 H new ATOM 0 HB THR A 52 4.914 -9.454 0.530 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.863 -7.723 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.557 -10.096 2.499 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.376 -11.513 1.801 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.008 -10.761 3.285 1.00 0.00 H new ATOM 824 N PRO A 53 7.449 -12.389 0.166 1.00 0.00 N ATOM 825 CA PRO A 53 7.395 -13.488 -0.844 1.00 0.00 C ATOM 826 C PRO A 53 6.015 -14.141 -0.915 1.00 0.00 C ATOM 827 O PRO A 53 5.435 -14.507 0.090 1.00 0.00 O ATOM 828 CB PRO A 53 8.454 -14.494 -0.356 1.00 0.00 C ATOM 829 CG PRO A 53 9.381 -13.694 0.505 1.00 0.00 C ATOM 830 CD PRO A 53 8.530 -12.595 1.139 1.00 0.00 C ATOM 0 HA PRO A 53 7.586 -13.121 -1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.996 -15.307 0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.985 -14.946 -1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.841 -14.321 1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.191 -13.267 -0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.142 -12.899 2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.106 -11.683 1.297 1.00 0.00 H new ATOM 838 N THR A 54 5.498 -14.297 -2.103 1.00 0.00 N ATOM 839 CA THR A 54 4.160 -14.930 -2.268 1.00 0.00 C ATOM 840 C THR A 54 4.106 -15.687 -3.604 1.00 0.00 C ATOM 841 O THR A 54 4.790 -15.342 -4.552 1.00 0.00 O ATOM 842 CB THR A 54 3.068 -13.842 -2.248 1.00 0.00 C ATOM 843 OG1 THR A 54 3.547 -12.672 -2.898 1.00 0.00 O ATOM 844 CG2 THR A 54 2.710 -13.513 -0.800 1.00 0.00 C ATOM 0 H THR A 54 5.949 -14.011 -2.972 1.00 0.00 H new ATOM 0 HA THR A 54 3.990 -15.630 -1.450 1.00 0.00 H new ATOM 0 HB THR A 54 2.183 -14.205 -2.770 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.830 -12.283 -3.441 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.938 -12.744 -0.782 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.340 -14.410 -0.304 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.596 -13.150 -0.280 1.00 0.00 H new ATOM 852 N PRO A 55 3.288 -16.707 -3.673 1.00 0.00 N ATOM 853 CA PRO A 55 3.120 -17.537 -4.905 1.00 0.00 C ATOM 854 C PRO A 55 2.429 -16.744 -6.020 1.00 0.00 C ATOM 855 O PRO A 55 2.439 -17.128 -7.174 1.00 0.00 O ATOM 856 CB PRO A 55 2.232 -18.700 -4.433 1.00 0.00 C ATOM 857 CG PRO A 55 1.467 -18.144 -3.278 1.00 0.00 C ATOM 858 CD PRO A 55 2.421 -17.187 -2.582 1.00 0.00 C ATOM 0 HA PRO A 55 4.071 -17.865 -5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.564 -19.036 -5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.831 -19.560 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.569 -17.627 -3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.144 -18.937 -2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.887 -16.366 -2.104 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.996 -17.689 -1.804 1.00 0.00 H new ATOM 866 N LYS A 56 1.823 -15.645 -5.668 1.00 0.00 N ATOM 867 CA LYS A 56 1.111 -14.813 -6.679 1.00 0.00 C ATOM 868 C LYS A 56 2.111 -13.901 -7.381 1.00 0.00 C ATOM 869 O LYS A 56 1.763 -13.173 -8.290 1.00 0.00 O ATOM 870 CB LYS A 56 0.048 -13.962 -5.976 1.00 0.00 C ATOM 871 CG LYS A 56 -1.030 -14.877 -5.386 1.00 0.00 C ATOM 872 CD LYS A 56 -2.205 -14.033 -4.877 1.00 0.00 C ATOM 873 CE LYS A 56 -1.780 -13.230 -3.643 1.00 0.00 C ATOM 874 NZ LYS A 56 -2.989 -12.726 -2.937 1.00 0.00 N ATOM 0 H LYS A 56 1.790 -15.284 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 56 0.633 -15.460 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.507 -13.367 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.400 -13.263 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.377 -15.581 -6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.613 -15.466 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.544 -13.357 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.046 -14.680 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.190 -13.857 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.145 -12.395 -3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.818 -12.727 -1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.196 -11.757 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.799 -13.341 -3.153 1.00 0.00 H new ATOM 888 N GLY A 57 3.353 -13.951 -6.978 1.00 0.00 N ATOM 889 CA GLY A 57 4.406 -13.106 -7.628 1.00 0.00 C ATOM 890 C GLY A 57 5.067 -12.202 -6.591 1.00 0.00 C ATOM 891 O GLY A 57 6.085 -12.537 -6.021 1.00 0.00 O ATOM 0 H GLY A 57 3.689 -14.545 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.156 -13.743 -8.097 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.961 -12.501 -8.418 1.00 0.00 H new ATOM 895 N LEU A 58 4.495 -11.050 -6.361 1.00 0.00 N ATOM 896 CA LEU A 58 5.079 -10.082 -5.378 1.00 0.00 C ATOM 897 C LEU A 58 3.997 -9.582 -4.429 1.00 0.00 C ATOM 898 O LEU A 58 2.827 -9.566 -4.751 1.00 0.00 O ATOM 899 CB LEU A 58 5.679 -8.893 -6.136 1.00 0.00 C ATOM 900 CG LEU A 58 6.823 -9.379 -7.038 1.00 0.00 C ATOM 901 CD1 LEU A 58 7.321 -8.218 -7.904 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.985 -9.910 -6.175 1.00 0.00 C ATOM 0 H LEU A 58 3.639 -10.732 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 58 5.855 -10.584 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.910 -8.407 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.050 -8.149 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 58 6.456 -10.182 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.133 -8.564 -8.544 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.503 -7.849 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.682 -7.414 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.792 -10.253 -6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.352 -9.113 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.634 -10.741 -5.563 1.00 0.00 H new ATOM 914 N ALA A 59 4.392 -9.173 -3.256 1.00 0.00 N ATOM 915 CA ALA A 59 3.401 -8.664 -2.264 1.00 0.00 C ATOM 916 C ALA A 59 4.083 -7.708 -1.287 1.00 0.00 C ATOM 917 O ALA A 59 5.276 -7.764 -1.068 1.00 0.00 O ATOM 918 CB ALA A 59 2.800 -9.833 -1.490 1.00 0.00 C ATOM 0 H ALA A 59 5.362 -9.169 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 59 2.611 -8.133 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.077 -9.457 -0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.301 -10.510 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.592 -10.368 -0.966 1.00 0.00 H new ATOM 924 N ALA A 60 3.313 -6.827 -0.706 1.00 0.00 N ATOM 925 CA ALA A 60 3.868 -5.833 0.267 1.00 0.00 C ATOM 926 C ALA A 60 3.269 -6.073 1.648 1.00 0.00 C ATOM 927 O ALA A 60 2.071 -6.170 1.813 1.00 0.00 O ATOM 928 CB ALA A 60 3.510 -4.421 -0.199 1.00 0.00 C ATOM 0 H ALA A 60 2.308 -6.751 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 60 4.951 -5.944 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.911 -3.693 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.937 -4.244 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.426 -4.318 -0.249 1.00 0.00 H new ATOM 934 N LYS A 61 4.111 -6.156 2.640 1.00 0.00 N ATOM 935 CA LYS A 61 3.635 -6.381 4.038 1.00 0.00 C ATOM 936 C LYS A 61 4.147 -5.261 4.942 1.00 0.00 C ATOM 937 O LYS A 61 5.085 -4.554 4.622 1.00 0.00 O ATOM 938 CB LYS A 61 4.158 -7.729 4.548 1.00 0.00 C ATOM 939 CG LYS A 61 5.693 -7.663 4.779 1.00 0.00 C ATOM 940 CD LYS A 61 5.993 -7.462 6.275 1.00 0.00 C ATOM 941 CE LYS A 61 5.971 -8.814 6.992 1.00 0.00 C ATOM 942 NZ LYS A 61 6.272 -8.612 8.435 1.00 0.00 N ATOM 0 H LYS A 61 5.123 -6.077 2.542 1.00 0.00 H new ATOM 0 HA LYS A 61 2.545 -6.386 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.655 -7.993 5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.926 -8.513 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.162 -8.582 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.121 -6.844 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.967 -6.989 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.255 -6.793 6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.995 -9.284 6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.704 -9.486 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.258 -9.530 8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.213 -8.180 8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.556 -7.985 8.854 1.00 0.00 H new ATOM 956 N ALA A 62 3.511 -5.100 6.066 1.00 0.00 N ATOM 957 CA ALA A 62 3.903 -4.036 7.033 1.00 0.00 C ATOM 958 C ALA A 62 3.897 -2.677 6.330 1.00 0.00 C ATOM 959 O ALA A 62 4.826 -1.898 6.443 1.00 0.00 O ATOM 960 CB ALA A 62 5.290 -4.334 7.611 1.00 0.00 C ATOM 0 H ALA A 62 2.720 -5.672 6.362 1.00 0.00 H new ATOM 0 HA ALA A 62 3.186 -4.013 7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.566 -3.550 8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.271 -5.295 8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.021 -4.369 6.803 1.00 0.00 H new ATOM 966 N ILE A 63 2.842 -2.386 5.619 1.00 0.00 N ATOM 967 CA ILE A 63 2.745 -1.078 4.906 1.00 0.00 C ATOM 968 C ILE A 63 2.516 0.026 5.930 1.00 0.00 C ATOM 969 O ILE A 63 1.683 -0.090 6.805 1.00 0.00 O ATOM 970 CB ILE A 63 1.569 -1.111 3.928 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.829 -2.170 2.850 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.414 0.259 3.267 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.530 -2.490 2.100 1.00 0.00 C ATOM 0 H ILE A 63 2.037 -3.001 5.500 1.00 0.00 H new ATOM 0 HA ILE A 63 3.667 -0.891 4.355 1.00 0.00 H new ATOM 0 HB ILE A 63 0.656 -1.359 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.583 -1.810 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.226 -3.076 3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.576 0.234 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.228 1.013 4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.327 0.508 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.727 -3.243 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.212 -2.870 2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.151 -1.584 1.627 1.00 0.00 H new ATOM 985 N SER A 64 3.265 1.089 5.834 1.00 0.00 N ATOM 986 CA SER A 64 3.117 2.209 6.814 1.00 0.00 C ATOM 987 C SER A 64 3.128 3.554 6.101 1.00 0.00 C ATOM 988 O SER A 64 3.672 3.703 5.022 1.00 0.00 O ATOM 989 CB SER A 64 4.264 2.154 7.815 1.00 0.00 C ATOM 990 OG SER A 64 4.116 3.214 8.746 1.00 0.00 O ATOM 0 H SER A 64 3.977 1.234 5.118 1.00 0.00 H new ATOM 0 HA SER A 64 2.164 2.100 7.332 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.266 1.195 8.333 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.220 2.238 7.298 1.00 0.00 H new ATOM 0 HG SER A 64 4.850 3.184 9.395 1.00 0.00 H new ATOM 996 N LEU A 65 2.515 4.531 6.718 1.00 0.00 N ATOM 997 CA LEU A 65 2.451 5.902 6.134 1.00 0.00 C ATOM 998 C LEU A 65 3.336 6.842 6.980 1.00 0.00 C ATOM 999 O LEU A 65 2.925 7.320 8.021 1.00 0.00 O ATOM 1000 CB LEU A 65 0.999 6.418 6.117 1.00 0.00 C ATOM 1001 CG LEU A 65 0.248 6.051 7.419 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.808 7.127 7.721 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.458 4.693 7.256 1.00 0.00 C ATOM 0 H LEU A 65 2.048 4.433 7.619 1.00 0.00 H new ATOM 0 HA LEU A 65 2.812 5.875 5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.999 7.500 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.472 5.996 5.261 1.00 0.00 H new ATOM 0 HG LEU A 65 0.967 5.991 8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.338 6.870 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.318 8.093 7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.518 7.182 6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.984 4.443 8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.172 4.751 6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.282 3.922 7.040 1.00 0.00 H new ATOM 1015 N PRO A 66 4.551 7.098 6.542 1.00 0.00 N ATOM 1016 CA PRO A 66 5.502 7.981 7.272 1.00 0.00 C ATOM 1017 C PRO A 66 5.196 9.454 7.009 1.00 0.00 C ATOM 1018 O PRO A 66 5.851 10.341 7.517 1.00 0.00 O ATOM 1019 CB PRO A 66 6.867 7.582 6.695 1.00 0.00 C ATOM 1020 CG PRO A 66 6.580 7.122 5.298 1.00 0.00 C ATOM 1021 CD PRO A 66 5.148 6.582 5.298 1.00 0.00 C ATOM 0 HA PRO A 66 5.450 7.865 8.355 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.558 8.425 6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.328 6.789 7.284 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.683 7.945 4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.285 6.349 4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.596 6.925 4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.136 5.492 5.276 1.00 0.00 H new ATOM 1029 N LEU A 67 4.198 9.711 6.208 1.00 0.00 N ATOM 1030 CA LEU A 67 3.829 11.118 5.885 1.00 0.00 C ATOM 1031 C LEU A 67 2.841 11.639 6.924 1.00 0.00 C ATOM 1032 O LEU A 67 1.788 11.077 7.142 1.00 0.00 O ATOM 1033 CB LEU A 67 3.187 11.168 4.493 1.00 0.00 C ATOM 1034 CG LEU A 67 4.166 10.606 3.452 1.00 0.00 C ATOM 1035 CD1 LEU A 67 3.501 10.603 2.071 1.00 0.00 C ATOM 1036 CD2 LEU A 67 5.438 11.474 3.406 1.00 0.00 C ATOM 0 H LEU A 67 3.618 9.001 5.760 1.00 0.00 H new ATOM 0 HA LEU A 67 4.723 11.741 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.263 10.590 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.922 12.195 4.241 1.00 0.00 H new ATOM 0 HG LEU A 67 4.436 9.587 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.197 10.204 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.606 9.981 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.226 11.622 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.128 11.069 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.172 12.495 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.915 11.472 4.386 1.00 0.00 H new ATOM 1048 N GLU A 68 3.193 12.720 7.562 1.00 0.00 N ATOM 1049 CA GLU A 68 2.312 13.327 8.605 1.00 0.00 C ATOM 1050 C GLU A 68 1.644 14.585 8.050 1.00 0.00 C ATOM 1051 O GLU A 68 1.557 14.783 6.854 1.00 0.00 O ATOM 1052 CB GLU A 68 3.159 13.695 9.830 1.00 0.00 C ATOM 1053 CG GLU A 68 4.253 14.695 9.435 1.00 0.00 C ATOM 1054 CD GLU A 68 5.141 14.991 10.648 1.00 0.00 C ATOM 1055 OE1 GLU A 68 5.421 14.067 11.394 1.00 0.00 O ATOM 1056 OE2 GLU A 68 5.527 16.138 10.808 1.00 0.00 O ATOM 0 H GLU A 68 4.069 13.219 7.404 1.00 0.00 H new ATOM 0 HA GLU A 68 1.543 12.610 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.524 14.126 10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.611 12.797 10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.854 14.289 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.802 15.617 9.068 1.00 0.00 H new ATOM 1063 N HIS A 69 1.162 15.425 8.920 1.00 0.00 N ATOM 1064 CA HIS A 69 0.477 16.673 8.475 1.00 0.00 C ATOM 1065 C HIS A 69 1.508 17.693 7.989 1.00 0.00 C ATOM 1066 O HIS A 69 2.509 17.948 8.628 1.00 0.00 O ATOM 1067 CB HIS A 69 -0.325 17.257 9.643 1.00 0.00 C ATOM 1068 CG HIS A 69 -1.477 16.342 9.966 1.00 0.00 C ATOM 1069 ND1 HIS A 69 -1.353 15.272 10.839 1.00 0.00 N ATOM 1070 CD2 HIS A 69 -2.782 16.327 9.540 1.00 0.00 C ATOM 1071 CE1 HIS A 69 -2.553 14.664 10.909 1.00 0.00 C ATOM 1072 NE2 HIS A 69 -3.460 15.268 10.137 1.00 0.00 N ATOM 0 H HIS A 69 1.213 15.301 9.931 1.00 0.00 H new ATOM 0 HA HIS A 69 -0.199 16.439 7.652 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.317 17.374 10.516 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.696 18.249 9.384 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.217 17.031 8.846 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.757 13.794 11.516 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.439 15.009 10.012 1.00 0.00 H new ATOM 1080 N HIS A 70 1.256 18.272 6.850 1.00 0.00 N ATOM 1081 CA HIS A 70 2.191 19.283 6.276 1.00 0.00 C ATOM 1082 C HIS A 70 2.211 20.531 7.165 1.00 0.00 C ATOM 1083 O HIS A 70 3.246 21.130 7.392 1.00 0.00 O ATOM 1084 CB HIS A 70 1.715 19.667 4.870 1.00 0.00 C ATOM 1085 CG HIS A 70 2.714 20.592 4.237 1.00 0.00 C ATOM 1086 ND1 HIS A 70 2.745 21.950 4.514 1.00 0.00 N ATOM 1087 CD2 HIS A 70 3.729 20.371 3.338 1.00 0.00 C ATOM 1088 CE1 HIS A 70 3.749 22.489 3.798 1.00 0.00 C ATOM 1089 NE2 HIS A 70 4.381 21.570 3.063 1.00 0.00 N ATOM 0 H HIS A 70 0.429 18.086 6.282 1.00 0.00 H new ATOM 0 HA HIS A 70 3.195 18.862 6.224 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.594 18.773 4.259 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.740 20.150 4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.983 19.413 2.910 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.012 23.536 3.816 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.172 21.715 2.435 1.00 0.00 H new ATOM 1097 N HIS A 71 1.067 20.926 7.652 1.00 0.00 N ATOM 1098 CA HIS A 71 0.976 22.138 8.518 1.00 0.00 C ATOM 1099 C HIS A 71 1.858 21.962 9.755 1.00 0.00 C ATOM 1100 O HIS A 71 2.522 22.883 10.192 1.00 0.00 O ATOM 1101 CB HIS A 71 -0.483 22.327 8.953 1.00 0.00 C ATOM 1102 CG HIS A 71 -1.324 22.726 7.765 1.00 0.00 C ATOM 1103 ND1 HIS A 71 -1.898 21.792 6.912 1.00 0.00 N ATOM 1104 CD2 HIS A 71 -1.704 23.954 7.284 1.00 0.00 C ATOM 1105 CE1 HIS A 71 -2.585 22.471 5.972 1.00 0.00 C ATOM 1106 NE2 HIS A 71 -2.499 23.791 6.154 1.00 0.00 N ATOM 0 H HIS A 71 0.178 20.454 7.485 1.00 0.00 H new ATOM 0 HA HIS A 71 1.316 23.011 7.962 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.865 21.403 9.387 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.545 23.092 9.727 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.428 24.904 7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -3.137 22.005 5.170 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.925 24.523 5.586 1.00 0.00 H new ATOM 1114 N HIS A 72 1.862 20.785 10.321 1.00 0.00 N ATOM 1115 CA HIS A 72 2.693 20.519 11.538 1.00 0.00 C ATOM 1116 C HIS A 72 2.592 21.689 12.514 1.00 0.00 C ATOM 1117 O HIS A 72 1.750 21.716 13.390 1.00 0.00 O ATOM 1118 CB HIS A 72 4.156 20.332 11.129 1.00 0.00 C ATOM 1119 CG HIS A 72 4.995 20.097 12.355 1.00 0.00 C ATOM 1120 ND1 HIS A 72 4.763 19.038 13.219 1.00 0.00 N ATOM 1121 CD2 HIS A 72 6.074 20.772 12.875 1.00 0.00 C ATOM 1122 CE1 HIS A 72 5.681 19.105 14.201 1.00 0.00 C ATOM 1123 NE2 HIS A 72 6.504 20.143 14.041 1.00 0.00 N ATOM 0 H HIS A 72 1.320 19.986 9.991 1.00 0.00 H new ATOM 0 HA HIS A 72 2.325 19.615 12.023 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.248 19.488 10.445 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.511 21.214 10.596 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.521 21.656 12.445 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.744 18.403 15.020 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.281 20.417 14.643 1.00 0.00 H new ATOM 1131 N HIS A 73 3.457 22.652 12.368 1.00 0.00 N ATOM 1132 CA HIS A 73 3.443 23.830 13.279 1.00 0.00 C ATOM 1133 C HIS A 73 2.265 24.742 12.948 1.00 0.00 C ATOM 1134 O HIS A 73 2.033 25.105 11.811 1.00 0.00 O ATOM 1135 CB HIS A 73 4.759 24.599 13.126 1.00 0.00 C ATOM 1136 CG HIS A 73 4.780 25.760 14.081 1.00 0.00 C ATOM 1137 ND1 HIS A 73 4.172 26.970 13.785 1.00 0.00 N ATOM 1138 CD2 HIS A 73 5.336 25.914 15.327 1.00 0.00 C ATOM 1139 CE1 HIS A 73 4.374 27.791 14.832 1.00 0.00 C ATOM 1140 NE2 HIS A 73 5.079 27.198 15.800 1.00 0.00 N ATOM 0 H HIS A 73 4.180 22.674 11.649 1.00 0.00 H new ATOM 0 HA HIS A 73 3.336 23.488 14.308 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.603 23.938 13.323 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.866 24.956 12.102 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.889 25.154 15.859 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.010 28.807 14.884 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.367 27.599 16.693 1.00 0.00 H new ATOM 1148 N HIS A 74 1.523 25.110 13.951 1.00 0.00 N ATOM 1149 CA HIS A 74 0.346 26.001 13.746 1.00 0.00 C ATOM 1150 C HIS A 74 -0.015 26.674 15.076 1.00 0.00 C ATOM 1151 O HIS A 74 0.870 26.818 15.902 1.00 0.00 O ATOM 1152 CB HIS A 74 -0.842 25.170 13.253 1.00 0.00 C ATOM 1153 CG HIS A 74 -1.215 24.143 14.291 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -0.495 22.971 14.467 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -2.238 24.094 15.205 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -1.090 22.274 15.453 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -2.158 22.914 15.938 1.00 0.00 N ATOM 1158 OXT HIS A 74 -1.170 27.029 15.241 1.00 0.00 O ATOM 0 H HIS A 74 1.682 24.829 14.918 1.00 0.00 H new ATOM 0 HA HIS A 74 0.586 26.763 13.005 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.693 25.820 13.050 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.587 24.676 12.315 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.334 22.689 13.945 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.992 24.857 15.336 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.746 21.314 15.809 1.00 0.00 H new TER 1166 HIS A 74