USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 761 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 83 SER OG : rot 72:sc= 0.796 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0.188 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 47:sc= 0.686 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0923 X(o=-0.092,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= -0.0784 (180deg=-0.383) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -166:sc= 0 (180deg=-0.227) USER MOD Single : A 25 SER OG : rot 9:sc= 0.62 USER MOD Single : A 26 CYS SG : rot 180:sc= 0.0253 USER MOD Single : A 27 SER OG : rot -43:sc= -0.138 USER MOD Single : A 30 CYS SG : rot -141:sc= 1.45 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 1:sc= 0.0908 USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0194) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 59 THR OG1 : rot 14:sc= 0.307 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0834 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 28:sc= 0.343 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.904 36.825 -4.601 1.00 0.00 N ATOM 2 CA GLY A 1 9.063 36.243 -3.951 1.00 0.00 C ATOM 3 C GLY A 1 8.765 34.889 -3.338 1.00 0.00 C ATOM 4 O GLY A 1 8.343 34.801 -2.185 1.00 0.00 O ATOM 0 H1 GLY A 1 8.159 37.749 -5.004 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.579 36.194 -5.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.142 36.950 -3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.869 36.140 -4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.418 36.920 -3.174 1.00 0.00 H new ATOM 8 N SER A 2 8.983 33.830 -4.111 1.00 0.00 N ATOM 9 CA SER A 2 8.730 32.474 -3.640 1.00 0.00 C ATOM 10 C SER A 2 9.952 31.587 -3.855 1.00 0.00 C ATOM 11 O SER A 2 10.057 30.891 -4.865 1.00 0.00 O ATOM 12 CB SER A 2 7.519 31.878 -4.361 1.00 0.00 C ATOM 13 OG SER A 2 6.307 32.363 -3.810 1.00 0.00 O ATOM 0 H SER A 2 9.335 33.885 -5.067 1.00 0.00 H new ATOM 0 HA SER A 2 8.520 32.521 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.565 32.126 -5.421 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.546 30.791 -4.287 1.00 0.00 H new ATOM 0 HG SER A 2 5.549 31.968 -4.289 1.00 0.00 H new ATOM 19 N SER A 3 10.874 31.618 -2.899 1.00 0.00 N ATOM 20 CA SER A 3 12.091 30.820 -2.984 1.00 0.00 C ATOM 21 C SER A 3 11.763 29.353 -3.245 1.00 0.00 C ATOM 22 O SER A 3 12.217 28.768 -4.227 1.00 0.00 O ATOM 23 CB SER A 3 12.904 30.950 -1.695 1.00 0.00 C ATOM 24 OG SER A 3 13.301 32.293 -1.476 1.00 0.00 O ATOM 0 H SER A 3 10.801 32.188 -2.056 1.00 0.00 H new ATOM 0 HA SER A 3 12.683 31.196 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.311 30.600 -0.850 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.786 30.311 -1.751 1.00 0.00 H new ATOM 0 HG SER A 3 13.818 32.350 -0.645 1.00 0.00 H new ATOM 30 N GLY A 4 10.968 28.764 -2.356 1.00 0.00 N ATOM 31 CA GLY A 4 10.591 27.371 -2.507 1.00 0.00 C ATOM 32 C GLY A 4 9.441 27.183 -3.476 1.00 0.00 C ATOM 33 O GLY A 4 8.614 28.078 -3.650 1.00 0.00 O ATOM 0 H GLY A 4 10.579 29.227 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.452 26.801 -2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.312 26.966 -1.534 1.00 0.00 H new ATOM 37 N SER A 5 9.388 26.016 -4.110 1.00 0.00 N ATOM 38 CA SER A 5 8.333 25.715 -5.071 1.00 0.00 C ATOM 39 C SER A 5 7.076 25.221 -4.361 1.00 0.00 C ATOM 40 O SER A 5 6.872 24.018 -4.201 1.00 0.00 O ATOM 41 CB SER A 5 8.812 24.664 -6.074 1.00 0.00 C ATOM 42 OG SER A 5 9.227 23.481 -5.414 1.00 0.00 O ATOM 0 H SER A 5 10.063 25.263 -3.976 1.00 0.00 H new ATOM 0 HA SER A 5 8.090 26.633 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.009 24.431 -6.773 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.638 25.066 -6.660 1.00 0.00 H new ATOM 0 HG SER A 5 8.559 23.229 -4.743 1.00 0.00 H new ATOM 48 N SER A 6 6.236 26.160 -3.938 1.00 0.00 N ATOM 49 CA SER A 6 5.000 25.822 -3.241 1.00 0.00 C ATOM 50 C SER A 6 3.795 26.444 -3.941 1.00 0.00 C ATOM 51 O SER A 6 3.449 27.599 -3.696 1.00 0.00 O ATOM 52 CB SER A 6 5.062 26.298 -1.789 1.00 0.00 C ATOM 53 OG SER A 6 5.964 25.509 -1.032 1.00 0.00 O ATOM 0 H SER A 6 6.388 27.160 -4.066 1.00 0.00 H new ATOM 0 HA SER A 6 4.888 24.738 -3.256 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.373 27.342 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.068 26.248 -1.344 1.00 0.00 H new ATOM 0 HG SER A 6 5.987 25.834 -0.108 1.00 0.00 H new ATOM 59 N GLY A 7 3.159 25.668 -4.814 1.00 0.00 N ATOM 60 CA GLY A 7 2.000 26.159 -5.536 1.00 0.00 C ATOM 61 C GLY A 7 1.021 25.054 -5.879 1.00 0.00 C ATOM 62 O GLY A 7 -0.095 25.020 -5.358 1.00 0.00 O ATOM 0 H GLY A 7 3.426 24.708 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.494 26.915 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.327 26.648 -6.453 1.00 0.00 H new ATOM 66 N HIS A 8 1.436 24.149 -6.759 1.00 0.00 N ATOM 67 CA HIS A 8 0.586 23.038 -7.172 1.00 0.00 C ATOM 68 C HIS A 8 1.209 21.702 -6.779 1.00 0.00 C ATOM 69 O HIS A 8 1.482 20.857 -7.632 1.00 0.00 O ATOM 70 CB HIS A 8 0.353 23.080 -8.683 1.00 0.00 C ATOM 71 CG HIS A 8 -0.674 24.086 -9.102 1.00 0.00 C ATOM 72 ND1 HIS A 8 -0.566 24.835 -10.255 1.00 0.00 N ATOM 73 CD2 HIS A 8 -1.834 24.464 -8.517 1.00 0.00 C ATOM 74 CE1 HIS A 8 -1.615 25.632 -10.360 1.00 0.00 C ATOM 75 NE2 HIS A 8 -2.400 25.426 -9.318 1.00 0.00 N ATOM 0 H HIS A 8 2.356 24.163 -7.200 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.372 23.137 -6.661 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.296 23.306 -9.182 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.042 22.092 -9.022 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.240 24.081 -7.592 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.799 26.332 -11.161 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.283 25.904 -9.137 1.00 0.00 H new ATOM 84 N VAL A 9 1.432 21.517 -5.481 1.00 0.00 N ATOM 85 CA VAL A 9 2.022 20.284 -4.975 1.00 0.00 C ATOM 86 C VAL A 9 1.070 19.107 -5.149 1.00 0.00 C ATOM 87 O VAL A 9 -0.019 19.085 -4.575 1.00 0.00 O ATOM 88 CB VAL A 9 2.397 20.411 -3.486 1.00 0.00 C ATOM 89 CG1 VAL A 9 2.652 19.040 -2.880 1.00 0.00 C ATOM 90 CG2 VAL A 9 3.611 21.312 -3.318 1.00 0.00 C ATOM 0 H VAL A 9 1.213 22.206 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 9 2.927 20.105 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 9 1.560 20.865 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.915 19.150 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.752 18.431 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.471 18.555 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.862 21.391 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.456 20.889 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.386 22.303 -3.712 1.00 0.00 H new ATOM 100 N GLY A 10 1.487 18.127 -5.945 1.00 0.00 N ATOM 101 CA GLY A 10 0.660 16.959 -6.180 1.00 0.00 C ATOM 102 C GLY A 10 1.478 15.699 -6.384 1.00 0.00 C ATOM 103 O GLY A 10 2.554 15.740 -6.983 1.00 0.00 O ATOM 0 H GLY A 10 2.384 18.122 -6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.013 16.818 -5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.037 17.130 -7.058 1.00 0.00 H new ATOM 107 N ILE A 11 0.971 14.578 -5.884 1.00 0.00 N ATOM 108 CA ILE A 11 1.663 13.302 -6.014 1.00 0.00 C ATOM 109 C ILE A 11 2.219 13.119 -7.422 1.00 0.00 C ATOM 110 O ILE A 11 1.519 13.337 -8.411 1.00 0.00 O ATOM 111 CB ILE A 11 0.732 12.120 -5.684 1.00 0.00 C ATOM 112 CG1 ILE A 11 0.201 12.245 -4.254 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.466 10.800 -5.869 1.00 0.00 C ATOM 114 CD1 ILE A 11 -1.038 11.417 -3.996 1.00 0.00 C ATOM 0 H ILE A 11 0.083 14.527 -5.385 1.00 0.00 H new ATOM 0 HA ILE A 11 2.486 13.316 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.115 12.141 -6.369 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.982 11.942 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.022 13.292 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.795 9.974 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.800 10.711 -6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.330 10.768 -5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.359 11.554 -2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.835 11.735 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.815 10.364 -4.170 1.00 0.00 H new ATOM 126 N THR A 12 3.483 12.715 -7.506 1.00 0.00 N ATOM 127 CA THR A 12 4.133 12.502 -8.792 1.00 0.00 C ATOM 128 C THR A 12 4.134 11.025 -9.169 1.00 0.00 C ATOM 129 O THR A 12 4.109 10.674 -10.350 1.00 0.00 O ATOM 130 CB THR A 12 5.584 13.018 -8.781 1.00 0.00 C ATOM 131 OG1 THR A 12 6.079 13.119 -10.121 1.00 0.00 O ATOM 132 CG2 THR A 12 6.481 12.093 -7.972 1.00 0.00 C ATOM 0 H THR A 12 4.077 12.529 -6.698 1.00 0.00 H new ATOM 0 HA THR A 12 3.562 13.063 -9.531 1.00 0.00 H new ATOM 0 HB THR A 12 5.592 14.004 -8.316 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.002 13.449 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.501 12.478 -7.979 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.119 12.042 -6.945 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.467 11.096 -8.412 1.00 0.00 H new ATOM 140 N LYS A 13 4.163 10.161 -8.160 1.00 0.00 N ATOM 141 CA LYS A 13 4.165 8.721 -8.385 1.00 0.00 C ATOM 142 C LYS A 13 2.897 8.081 -7.827 1.00 0.00 C ATOM 143 O LYS A 13 2.751 7.925 -6.615 1.00 0.00 O ATOM 144 CB LYS A 13 5.397 8.084 -7.737 1.00 0.00 C ATOM 145 CG LYS A 13 6.607 8.032 -8.654 1.00 0.00 C ATOM 146 CD LYS A 13 7.696 7.136 -8.089 1.00 0.00 C ATOM 147 CE LYS A 13 7.345 5.664 -8.247 1.00 0.00 C ATOM 148 NZ LYS A 13 8.116 4.806 -7.306 1.00 0.00 N ATOM 0 H LYS A 13 4.185 10.434 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 13 4.196 8.547 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.656 8.645 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.148 7.071 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.306 7.665 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.000 9.039 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.638 7.343 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.845 7.364 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.278 5.525 -8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.546 5.351 -9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.848 3.811 -7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.134 4.919 -7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.905 5.088 -6.327 1.00 0.00 H new ATOM 162 N ARG A 14 1.985 7.711 -8.720 1.00 0.00 N ATOM 163 CA ARG A 14 0.730 7.088 -8.316 1.00 0.00 C ATOM 164 C ARG A 14 0.931 5.605 -8.018 1.00 0.00 C ATOM 165 O ARG A 14 1.718 4.928 -8.680 1.00 0.00 O ATOM 166 CB ARG A 14 -0.325 7.261 -9.410 1.00 0.00 C ATOM 167 CG ARG A 14 0.124 6.760 -10.773 1.00 0.00 C ATOM 168 CD ARG A 14 -1.020 6.770 -11.775 1.00 0.00 C ATOM 169 NE ARG A 14 -1.826 5.555 -11.699 1.00 0.00 N ATOM 170 CZ ARG A 14 -1.497 4.416 -12.299 1.00 0.00 C ATOM 171 NH1 ARG A 14 -0.385 4.338 -13.016 1.00 0.00 N ATOM 172 NH2 ARG A 14 -2.282 3.353 -12.183 1.00 0.00 N ATOM 0 H ARG A 14 2.091 7.832 -9.727 1.00 0.00 H new ATOM 0 HA ARG A 14 0.385 7.580 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.231 6.730 -9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.586 8.316 -9.488 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.937 7.385 -11.142 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.517 5.748 -10.678 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.654 7.637 -11.592 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.618 6.876 -12.783 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.689 5.582 -11.156 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.221 5.154 -13.108 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.135 3.462 -13.476 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.139 3.410 -11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.029 2.479 -12.644 1.00 0.00 H new ATOM 186 N LEU A 15 0.214 5.106 -7.016 1.00 0.00 N ATOM 187 CA LEU A 15 0.313 3.703 -6.629 1.00 0.00 C ATOM 188 C LEU A 15 0.151 2.791 -7.841 1.00 0.00 C ATOM 189 O LEU A 15 -0.543 3.131 -8.799 1.00 0.00 O ATOM 190 CB LEU A 15 -0.747 3.367 -5.579 1.00 0.00 C ATOM 191 CG LEU A 15 -0.492 3.908 -4.171 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.786 3.950 -3.373 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.551 3.063 -3.456 1.00 0.00 C ATOM 0 H LEU A 15 -0.442 5.652 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 15 1.303 3.538 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.707 3.750 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.839 2.283 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.109 4.925 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.585 4.337 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.503 4.599 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.199 2.944 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.720 3.463 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.197 2.035 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.485 3.085 -4.018 1.00 0.00 H new ATOM 205 N LYS A 16 0.796 1.630 -7.791 1.00 0.00 N ATOM 206 CA LYS A 16 0.721 0.666 -8.883 1.00 0.00 C ATOM 207 C LYS A 16 0.070 -0.633 -8.418 1.00 0.00 C ATOM 208 O LYS A 16 0.173 -1.008 -7.249 1.00 0.00 O ATOM 209 CB LYS A 16 2.120 0.379 -9.433 1.00 0.00 C ATOM 210 CG LYS A 16 2.700 1.524 -10.247 1.00 0.00 C ATOM 211 CD LYS A 16 4.194 1.352 -10.464 1.00 0.00 C ATOM 212 CE LYS A 16 4.488 0.240 -11.459 1.00 0.00 C ATOM 213 NZ LYS A 16 3.967 0.559 -12.817 1.00 0.00 N ATOM 0 H LYS A 16 1.376 1.334 -7.006 1.00 0.00 H new ATOM 0 HA LYS A 16 0.107 1.097 -9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.790 0.159 -8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.080 -0.515 -10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.195 1.578 -11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.512 2.468 -9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.620 2.288 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.678 1.128 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.564 0.076 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.040 -0.690 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.446 -0.037 -13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.944 0.377 -12.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.147 1.561 -13.031 1.00 0.00 H new ATOM 227 N THR A 17 -0.599 -1.318 -9.340 1.00 0.00 N ATOM 228 CA THR A 17 -1.266 -2.575 -9.025 1.00 0.00 C ATOM 229 C THR A 17 -0.253 -3.674 -8.725 1.00 0.00 C ATOM 230 O THR A 17 0.657 -3.925 -9.513 1.00 0.00 O ATOM 231 CB THR A 17 -2.176 -3.033 -10.180 1.00 0.00 C ATOM 232 OG1 THR A 17 -3.185 -2.048 -10.429 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.831 -4.367 -9.856 1.00 0.00 C ATOM 0 H THR A 17 -0.693 -1.023 -10.312 1.00 0.00 H new ATOM 0 HA THR A 17 -1.877 -2.396 -8.140 1.00 0.00 H new ATOM 0 HB THR A 17 -1.561 -3.155 -11.072 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.758 -2.346 -11.166 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.469 -4.670 -10.686 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.061 -5.121 -9.696 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.434 -4.267 -8.953 1.00 0.00 H new ATOM 241 N MET A 18 -0.419 -4.327 -7.579 1.00 0.00 N ATOM 242 CA MET A 18 0.481 -5.402 -7.176 1.00 0.00 C ATOM 243 C MET A 18 -0.144 -6.766 -7.452 1.00 0.00 C ATOM 244 O MET A 18 -1.366 -6.895 -7.524 1.00 0.00 O ATOM 245 CB MET A 18 0.826 -5.277 -5.691 1.00 0.00 C ATOM 246 CG MET A 18 1.878 -6.271 -5.226 1.00 0.00 C ATOM 247 SD MET A 18 3.420 -6.132 -6.149 1.00 0.00 S ATOM 248 CE MET A 18 4.429 -5.216 -4.987 1.00 0.00 C ATOM 0 H MET A 18 -1.167 -4.131 -6.914 1.00 0.00 H new ATOM 0 HA MET A 18 1.396 -5.316 -7.762 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.181 -4.266 -5.493 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.081 -5.418 -5.103 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.078 -6.113 -4.166 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.487 -7.283 -5.330 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.315 -4.836 -5.495 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.855 -4.381 -4.586 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.732 -5.873 -4.172 1.00 0.00 H new ATOM 258 N GLU A 19 0.702 -7.780 -7.604 1.00 0.00 N ATOM 259 CA GLU A 19 0.231 -9.134 -7.873 1.00 0.00 C ATOM 260 C GLU A 19 1.123 -10.166 -7.189 1.00 0.00 C ATOM 261 O GLU A 19 2.293 -10.320 -7.538 1.00 0.00 O ATOM 262 CB GLU A 19 0.193 -9.395 -9.380 1.00 0.00 C ATOM 263 CG GLU A 19 -0.324 -10.776 -9.746 1.00 0.00 C ATOM 264 CD GLU A 19 0.748 -11.844 -9.651 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.920 -11.535 -9.952 1.00 0.00 O ATOM 266 OE2 GLU A 19 0.416 -12.988 -9.277 1.00 0.00 O ATOM 0 H GLU A 19 1.716 -7.690 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.778 -9.227 -7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.437 -8.643 -9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.197 -9.273 -9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.151 -11.037 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.721 -10.754 -10.761 1.00 0.00 H new ATOM 273 N VAL A 20 0.561 -10.871 -6.212 1.00 0.00 N ATOM 274 CA VAL A 20 1.304 -11.889 -5.479 1.00 0.00 C ATOM 275 C VAL A 20 0.444 -13.123 -5.229 1.00 0.00 C ATOM 276 O VAL A 20 -0.689 -13.210 -5.702 1.00 0.00 O ATOM 277 CB VAL A 20 1.813 -11.349 -4.129 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.573 -10.046 -4.327 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.655 -11.159 -3.161 1.00 0.00 C ATOM 0 H VAL A 20 -0.406 -10.756 -5.910 1.00 0.00 H new ATOM 0 HA VAL A 20 2.159 -12.164 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 20 2.499 -12.080 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.925 -9.680 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.426 -10.219 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.913 -9.305 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.033 -10.777 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.057 -10.448 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.159 -12.115 -2.995 1.00 0.00 H new ATOM 289 N LEU A 21 0.990 -14.076 -4.481 1.00 0.00 N ATOM 290 CA LEU A 21 0.273 -15.306 -4.167 1.00 0.00 C ATOM 291 C LEU A 21 -0.124 -15.344 -2.695 1.00 0.00 C ATOM 292 O LEU A 21 0.711 -15.154 -1.812 1.00 0.00 O ATOM 293 CB LEU A 21 1.136 -16.523 -4.504 1.00 0.00 C ATOM 294 CG LEU A 21 0.496 -17.890 -4.257 1.00 0.00 C ATOM 295 CD1 LEU A 21 -0.418 -18.268 -5.412 1.00 0.00 C ATOM 296 CD2 LEU A 21 1.567 -18.951 -4.052 1.00 0.00 C ATOM 0 H LEU A 21 1.927 -14.020 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.634 -15.332 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.420 -16.462 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.055 -16.464 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.105 -17.830 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.864 -19.243 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.206 -17.522 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.160 -18.310 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.093 -19.917 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.195 -19.010 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.181 -18.687 -3.191 1.00 0.00 H new ATOM 308 N GLU A 22 -1.405 -15.591 -2.439 1.00 0.00 N ATOM 309 CA GLU A 22 -1.912 -15.655 -1.073 1.00 0.00 C ATOM 310 C GLU A 22 -0.878 -16.274 -0.137 1.00 0.00 C ATOM 311 O GLU A 22 -0.300 -17.317 -0.436 1.00 0.00 O ATOM 312 CB GLU A 22 -3.210 -16.465 -1.025 1.00 0.00 C ATOM 313 CG GLU A 22 -3.672 -16.790 0.386 1.00 0.00 C ATOM 314 CD GLU A 22 -4.755 -17.851 0.415 1.00 0.00 C ATOM 315 OE1 GLU A 22 -5.862 -17.581 -0.097 1.00 0.00 O ATOM 316 OE2 GLU A 22 -4.497 -18.949 0.949 1.00 0.00 O ATOM 0 H GLU A 22 -2.110 -15.750 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.115 -14.637 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.995 -15.908 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.069 -17.395 -1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.820 -17.130 0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.045 -15.882 0.860 1.00 0.00 H new ATOM 323 N GLY A 23 -0.651 -15.620 0.999 1.00 0.00 N ATOM 324 CA GLY A 23 0.313 -16.120 1.961 1.00 0.00 C ATOM 325 C GLY A 23 1.603 -15.324 1.956 1.00 0.00 C ATOM 326 O GLY A 23 2.251 -15.174 2.992 1.00 0.00 O ATOM 0 H GLY A 23 -1.117 -14.754 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.125 -16.090 2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.533 -17.165 1.741 1.00 0.00 H new ATOM 330 N GLU A 24 1.977 -14.813 0.787 1.00 0.00 N ATOM 331 CA GLU A 24 3.200 -14.030 0.652 1.00 0.00 C ATOM 332 C GLU A 24 3.032 -12.647 1.275 1.00 0.00 C ATOM 333 O GLU A 24 1.968 -12.315 1.798 1.00 0.00 O ATOM 334 CB GLU A 24 3.585 -13.894 -0.822 1.00 0.00 C ATOM 335 CG GLU A 24 4.321 -15.104 -1.374 1.00 0.00 C ATOM 336 CD GLU A 24 3.765 -16.414 -0.850 1.00 0.00 C ATOM 337 OE1 GLU A 24 4.142 -16.811 0.273 1.00 0.00 O ATOM 338 OE2 GLU A 24 2.953 -17.041 -1.561 1.00 0.00 O ATOM 0 H GLU A 24 1.451 -14.927 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 24 3.996 -14.554 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.683 -13.729 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.212 -13.011 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.259 -15.097 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.377 -15.032 -1.114 1.00 0.00 H new ATOM 345 N SER A 25 4.091 -11.846 1.216 1.00 0.00 N ATOM 346 CA SER A 25 4.063 -10.501 1.778 1.00 0.00 C ATOM 347 C SER A 25 4.603 -9.483 0.778 1.00 0.00 C ATOM 348 O SER A 25 5.744 -9.585 0.326 1.00 0.00 O ATOM 349 CB SER A 25 4.883 -10.447 3.069 1.00 0.00 C ATOM 350 OG SER A 25 6.272 -10.498 2.794 1.00 0.00 O ATOM 0 H SER A 25 4.978 -12.105 0.785 1.00 0.00 H new ATOM 0 HA SER A 25 3.026 -10.250 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.650 -9.532 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.606 -11.281 3.714 1.00 0.00 H new ATOM 0 HG SER A 25 6.417 -10.417 1.828 1.00 0.00 H new ATOM 356 N CYS A 26 3.774 -8.503 0.436 1.00 0.00 N ATOM 357 CA CYS A 26 4.166 -7.465 -0.512 1.00 0.00 C ATOM 358 C CYS A 26 4.157 -6.092 0.150 1.00 0.00 C ATOM 359 O CYS A 26 3.902 -5.971 1.349 1.00 0.00 O ATOM 360 CB CYS A 26 3.229 -7.469 -1.720 1.00 0.00 C ATOM 361 SG CYS A 26 1.473 -7.414 -1.292 1.00 0.00 S ATOM 0 H CYS A 26 2.826 -8.405 0.801 1.00 0.00 H new ATOM 0 HA CYS A 26 5.181 -7.679 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.465 -6.613 -2.352 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.420 -8.364 -2.312 1.00 0.00 H new ATOM 0 HG CYS A 26 0.761 -7.419 -2.380 1.00 0.00 H new ATOM 367 N SER A 27 4.438 -5.059 -0.637 1.00 0.00 N ATOM 368 CA SER A 27 4.468 -3.693 -0.126 1.00 0.00 C ATOM 369 C SER A 27 4.438 -2.684 -1.270 1.00 0.00 C ATOM 370 O SER A 27 5.275 -2.726 -2.172 1.00 0.00 O ATOM 371 CB SER A 27 5.716 -3.474 0.730 1.00 0.00 C ATOM 372 OG SER A 27 5.990 -4.609 1.533 1.00 0.00 O ATOM 0 H SER A 27 4.648 -5.142 -1.632 1.00 0.00 H new ATOM 0 HA SER A 27 3.582 -3.542 0.491 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.570 -3.266 0.086 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.576 -2.600 1.366 1.00 0.00 H new ATOM 0 HG SER A 27 5.154 -4.947 1.918 1.00 0.00 H new ATOM 378 N PHE A 28 3.468 -1.778 -1.226 1.00 0.00 N ATOM 379 CA PHE A 28 3.327 -0.757 -2.258 1.00 0.00 C ATOM 380 C PHE A 28 4.287 0.403 -2.011 1.00 0.00 C ATOM 381 O PHE A 28 5.099 0.363 -1.088 1.00 0.00 O ATOM 382 CB PHE A 28 1.887 -0.242 -2.303 1.00 0.00 C ATOM 383 CG PHE A 28 0.912 -1.234 -2.870 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.763 -2.485 -2.293 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.146 -0.916 -3.980 1.00 0.00 C ATOM 386 CE1 PHE A 28 -0.133 -3.400 -2.814 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.751 -1.827 -4.504 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.892 -3.070 -3.920 1.00 0.00 C ATOM 0 H PHE A 28 2.767 -1.729 -0.487 1.00 0.00 H new ATOM 0 HA PHE A 28 3.573 -1.211 -3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.574 0.027 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.854 0.669 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.353 -2.748 -1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.251 0.055 -4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.239 -4.372 -2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.342 -1.567 -5.370 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.594 -3.783 -4.327 1.00 0.00 H new ATOM 398 N GLU A 29 4.186 1.434 -2.844 1.00 0.00 N ATOM 399 CA GLU A 29 5.046 2.605 -2.717 1.00 0.00 C ATOM 400 C GLU A 29 4.327 3.863 -3.194 1.00 0.00 C ATOM 401 O GLU A 29 3.703 3.869 -4.255 1.00 0.00 O ATOM 402 CB GLU A 29 6.336 2.407 -3.517 1.00 0.00 C ATOM 403 CG GLU A 29 7.177 1.236 -3.036 1.00 0.00 C ATOM 404 CD GLU A 29 8.312 0.905 -3.985 1.00 0.00 C ATOM 405 OE1 GLU A 29 9.276 1.696 -4.056 1.00 0.00 O ATOM 406 OE2 GLU A 29 8.236 -0.145 -4.656 1.00 0.00 O ATOM 0 H GLU A 29 3.518 1.482 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 29 5.295 2.728 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.083 2.255 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.932 3.318 -3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.586 1.467 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.540 0.360 -2.918 1.00 0.00 H new ATOM 413 N CYS A 30 4.419 4.925 -2.402 1.00 0.00 N ATOM 414 CA CYS A 30 3.775 6.190 -2.742 1.00 0.00 C ATOM 415 C CYS A 30 4.713 7.364 -2.479 1.00 0.00 C ATOM 416 O CYS A 30 5.150 7.583 -1.349 1.00 0.00 O ATOM 417 CB CYS A 30 2.485 6.362 -1.938 1.00 0.00 C ATOM 418 SG CYS A 30 1.377 7.635 -2.586 1.00 0.00 S ATOM 0 H CYS A 30 4.932 4.936 -1.521 1.00 0.00 H new ATOM 0 HA CYS A 30 3.532 6.172 -3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.954 5.410 -1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.742 6.609 -0.908 1.00 0.00 H new ATOM 0 HG CYS A 30 0.843 8.290 -1.598 1.00 0.00 H new ATOM 424 N VAL A 31 5.019 8.117 -3.531 1.00 0.00 N ATOM 425 CA VAL A 31 5.905 9.269 -3.415 1.00 0.00 C ATOM 426 C VAL A 31 5.198 10.551 -3.840 1.00 0.00 C ATOM 427 O VAL A 31 4.211 10.514 -4.577 1.00 0.00 O ATOM 428 CB VAL A 31 7.175 9.089 -4.268 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.185 10.184 -3.960 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.780 7.713 -4.036 1.00 0.00 C ATOM 0 H VAL A 31 4.666 7.950 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 31 6.189 9.345 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 31 6.900 9.168 -5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.075 10.040 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.746 11.157 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.458 10.141 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.676 7.602 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.041 7.603 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.056 6.946 -4.312 1.00 0.00 H new ATOM 440 N LEU A 32 5.708 11.685 -3.372 1.00 0.00 N ATOM 441 CA LEU A 32 5.126 12.981 -3.705 1.00 0.00 C ATOM 442 C LEU A 32 6.128 13.850 -4.458 1.00 0.00 C ATOM 443 O LEU A 32 7.339 13.670 -4.332 1.00 0.00 O ATOM 444 CB LEU A 32 4.667 13.696 -2.433 1.00 0.00 C ATOM 445 CG LEU A 32 3.807 12.874 -1.474 1.00 0.00 C ATOM 446 CD1 LEU A 32 4.019 13.333 -0.039 1.00 0.00 C ATOM 447 CD2 LEU A 32 2.337 12.975 -1.856 1.00 0.00 C ATOM 0 H LEU A 32 6.523 11.734 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 32 4.264 12.811 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.550 14.039 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.105 14.584 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 32 4.111 11.830 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.398 12.736 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.067 13.209 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.743 14.384 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.739 12.384 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.020 14.017 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.197 12.597 -2.869 1.00 0.00 H new ATOM 459 N SER A 33 5.614 14.795 -5.239 1.00 0.00 N ATOM 460 CA SER A 33 6.463 15.692 -6.014 1.00 0.00 C ATOM 461 C SER A 33 7.284 16.592 -5.095 1.00 0.00 C ATOM 462 O SER A 33 8.271 17.195 -5.518 1.00 0.00 O ATOM 463 CB SER A 33 5.613 16.545 -6.957 1.00 0.00 C ATOM 464 OG SER A 33 5.204 17.748 -6.328 1.00 0.00 O ATOM 0 H SER A 33 4.614 14.959 -5.352 1.00 0.00 H new ATOM 0 HA SER A 33 7.148 15.084 -6.605 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.184 16.777 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.736 15.980 -7.273 1.00 0.00 H new ATOM 0 HG SER A 33 4.663 18.276 -6.952 1.00 0.00 H new ATOM 470 N HIS A 34 6.867 16.678 -3.836 1.00 0.00 N ATOM 471 CA HIS A 34 7.563 17.504 -2.856 1.00 0.00 C ATOM 472 C HIS A 34 7.515 16.862 -1.472 1.00 0.00 C ATOM 473 O HIS A 34 6.609 16.086 -1.170 1.00 0.00 O ATOM 474 CB HIS A 34 6.945 18.901 -2.804 1.00 0.00 C ATOM 475 CG HIS A 34 7.874 19.947 -2.268 1.00 0.00 C ATOM 476 ND1 HIS A 34 9.053 20.297 -2.890 1.00 0.00 N ATOM 477 CD2 HIS A 34 7.789 20.722 -1.162 1.00 0.00 C ATOM 478 CE1 HIS A 34 9.655 21.241 -2.189 1.00 0.00 C ATOM 479 NE2 HIS A 34 8.909 21.518 -1.135 1.00 0.00 N ATOM 0 H HIS A 34 6.051 16.186 -3.471 1.00 0.00 H new ATOM 0 HA HIS A 34 8.606 17.587 -3.163 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.629 19.187 -3.807 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.049 18.870 -2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.990 20.716 -0.436 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.597 21.707 -2.436 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.128 22.210 -0.418 1.00 0.00 H new ATOM 488 N GLU A 35 8.496 17.191 -0.638 1.00 0.00 N ATOM 489 CA GLU A 35 8.565 16.644 0.712 1.00 0.00 C ATOM 490 C GLU A 35 7.643 17.410 1.657 1.00 0.00 C ATOM 491 O GLU A 35 7.572 18.638 1.612 1.00 0.00 O ATOM 492 CB GLU A 35 10.003 16.694 1.234 1.00 0.00 C ATOM 493 CG GLU A 35 10.140 16.259 2.683 1.00 0.00 C ATOM 494 CD GLU A 35 11.519 16.538 3.248 1.00 0.00 C ATOM 495 OE1 GLU A 35 12.505 16.430 2.490 1.00 0.00 O ATOM 496 OE2 GLU A 35 11.612 16.866 4.450 1.00 0.00 O ATOM 0 H GLU A 35 9.253 17.833 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 35 8.236 15.606 0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.629 16.055 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.383 17.711 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.393 16.776 3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.929 15.192 2.760 1.00 0.00 H new ATOM 503 N SER A 36 6.938 16.675 2.511 1.00 0.00 N ATOM 504 CA SER A 36 6.017 17.283 3.464 1.00 0.00 C ATOM 505 C SER A 36 5.806 16.375 4.671 1.00 0.00 C ATOM 506 O SER A 36 5.488 15.195 4.526 1.00 0.00 O ATOM 507 CB SER A 36 4.675 17.577 2.791 1.00 0.00 C ATOM 508 OG SER A 36 3.686 17.909 3.750 1.00 0.00 O ATOM 0 H SER A 36 6.987 15.657 2.562 1.00 0.00 H new ATOM 0 HA SER A 36 6.455 18.219 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.791 18.399 2.084 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.353 16.707 2.218 1.00 0.00 H new ATOM 0 HG SER A 36 2.838 18.094 3.295 1.00 0.00 H new ATOM 514 N ALA A 37 5.985 16.935 5.863 1.00 0.00 N ATOM 515 CA ALA A 37 5.812 16.177 7.097 1.00 0.00 C ATOM 516 C ALA A 37 4.803 16.853 8.019 1.00 0.00 C ATOM 517 O ALA A 37 4.157 16.196 8.835 1.00 0.00 O ATOM 518 CB ALA A 37 7.148 16.010 7.805 1.00 0.00 C ATOM 0 H ALA A 37 6.250 17.910 6.001 1.00 0.00 H new ATOM 0 HA ALA A 37 5.425 15.191 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.004 15.442 8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.841 15.477 7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.558 16.991 8.045 1.00 0.00 H new ATOM 524 N SER A 38 4.673 18.169 7.884 1.00 0.00 N ATOM 525 CA SER A 38 3.746 18.934 8.709 1.00 0.00 C ATOM 526 C SER A 38 2.409 18.209 8.838 1.00 0.00 C ATOM 527 O SER A 38 1.895 18.024 9.941 1.00 0.00 O ATOM 528 CB SER A 38 3.529 20.326 8.113 1.00 0.00 C ATOM 529 OG SER A 38 2.585 21.064 8.871 1.00 0.00 O ATOM 0 H SER A 38 5.198 18.727 7.211 1.00 0.00 H new ATOM 0 HA SER A 38 4.182 19.036 9.703 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.477 20.864 8.083 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.182 20.234 7.084 1.00 0.00 H new ATOM 0 HG SER A 38 2.465 21.950 8.471 1.00 0.00 H new ATOM 535 N ASP A 39 1.852 17.802 7.703 1.00 0.00 N ATOM 536 CA ASP A 39 0.576 17.097 7.687 1.00 0.00 C ATOM 537 C ASP A 39 0.781 15.597 7.870 1.00 0.00 C ATOM 538 O ASP A 39 1.722 15.005 7.339 1.00 0.00 O ATOM 539 CB ASP A 39 -0.164 17.367 6.376 1.00 0.00 C ATOM 540 CG ASP A 39 -0.882 18.703 6.381 1.00 0.00 C ATOM 541 OD1 ASP A 39 -1.712 18.928 7.287 1.00 0.00 O ATOM 542 OD2 ASP A 39 -0.612 19.524 5.479 1.00 0.00 O ATOM 0 H ASP A 39 2.264 17.948 6.782 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.025 17.467 8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.546 17.343 5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.886 16.570 6.199 1.00 0.00 H new ATOM 547 N PRO A 40 -0.118 14.965 8.639 1.00 0.00 N ATOM 548 CA PRO A 40 -0.056 13.526 8.910 1.00 0.00 C ATOM 549 C PRO A 40 -0.378 12.689 7.677 1.00 0.00 C ATOM 550 O PRO A 40 -1.004 13.172 6.734 1.00 0.00 O ATOM 551 CB PRO A 40 -1.123 13.322 9.989 1.00 0.00 C ATOM 552 CG PRO A 40 -2.083 14.443 9.789 1.00 0.00 C ATOM 553 CD PRO A 40 -1.264 15.607 9.303 1.00 0.00 C ATOM 0 HA PRO A 40 0.942 13.211 9.214 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.615 12.355 9.881 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.686 13.348 10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.850 14.175 9.062 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.596 14.688 10.719 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.828 16.235 8.613 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.945 16.245 10.127 1.00 0.00 H new ATOM 561 N ALA A 41 0.054 11.433 7.690 1.00 0.00 N ATOM 562 CA ALA A 41 -0.191 10.528 6.574 1.00 0.00 C ATOM 563 C ALA A 41 -1.114 9.386 6.985 1.00 0.00 C ATOM 564 O ALA A 41 -0.926 8.771 8.033 1.00 0.00 O ATOM 565 CB ALA A 41 1.124 9.981 6.039 1.00 0.00 C ATOM 0 H ALA A 41 0.576 11.018 8.462 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.685 11.092 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.926 9.307 5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.749 10.806 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.641 9.438 6.830 1.00 0.00 H new ATOM 571 N MET A 42 -2.112 9.109 6.152 1.00 0.00 N ATOM 572 CA MET A 42 -3.064 8.039 6.429 1.00 0.00 C ATOM 573 C MET A 42 -2.941 6.921 5.398 1.00 0.00 C ATOM 574 O MET A 42 -2.787 7.180 4.205 1.00 0.00 O ATOM 575 CB MET A 42 -4.492 8.588 6.437 1.00 0.00 C ATOM 576 CG MET A 42 -5.555 7.512 6.590 1.00 0.00 C ATOM 577 SD MET A 42 -7.145 8.004 5.897 1.00 0.00 S ATOM 578 CE MET A 42 -8.057 8.399 7.387 1.00 0.00 C ATOM 0 H MET A 42 -2.283 9.610 5.280 1.00 0.00 H new ATOM 0 HA MET A 42 -2.835 7.628 7.412 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.592 9.305 7.252 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.669 9.133 5.509 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.216 6.599 6.100 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.680 7.278 7.647 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.064 8.721 7.123 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.114 7.516 8.024 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.549 9.201 7.923 1.00 0.00 H new ATOM 588 N TRP A 43 -3.011 5.681 5.867 1.00 0.00 N ATOM 589 CA TRP A 43 -2.907 4.524 4.985 1.00 0.00 C ATOM 590 C TRP A 43 -4.155 3.652 5.081 1.00 0.00 C ATOM 591 O TRP A 43 -4.631 3.351 6.176 1.00 0.00 O ATOM 592 CB TRP A 43 -1.666 3.700 5.334 1.00 0.00 C ATOM 593 CG TRP A 43 -0.432 4.152 4.614 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.627 4.829 5.149 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.130 3.962 3.227 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.569 5.070 4.178 1.00 0.00 N ATOM 597 CE2 TRP A 43 1.129 4.548 2.991 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.799 3.351 2.163 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.729 4.541 1.735 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.203 3.346 0.917 1.00 0.00 C ATOM 601 CH2 TRP A 43 1.051 3.937 0.711 1.00 0.00 C ATOM 0 H TRP A 43 -3.139 5.450 6.852 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.817 4.886 3.961 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.492 3.756 6.409 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.855 2.653 5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.711 5.130 6.183 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.453 5.559 4.319 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.765 2.891 2.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.695 4.996 1.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.712 2.879 0.087 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.491 3.915 -0.275 1.00 0.00 H new ATOM 612 N THR A 44 -4.681 3.250 3.929 1.00 0.00 N ATOM 613 CA THR A 44 -5.874 2.414 3.884 1.00 0.00 C ATOM 614 C THR A 44 -5.715 1.283 2.874 1.00 0.00 C ATOM 615 O THR A 44 -5.176 1.481 1.785 1.00 0.00 O ATOM 616 CB THR A 44 -7.124 3.238 3.522 1.00 0.00 C ATOM 617 OG1 THR A 44 -6.919 3.920 2.280 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.441 4.247 4.615 1.00 0.00 C ATOM 0 H THR A 44 -4.299 3.490 3.014 1.00 0.00 H new ATOM 0 HA THR A 44 -6.002 1.992 4.881 1.00 0.00 H new ATOM 0 HB THR A 44 -7.967 2.554 3.425 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.033 3.696 1.926 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.327 4.817 4.338 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.626 3.722 5.552 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.597 4.926 4.740 1.00 0.00 H new ATOM 626 N VAL A 45 -6.188 0.096 3.242 1.00 0.00 N ATOM 627 CA VAL A 45 -6.099 -1.067 2.367 1.00 0.00 C ATOM 628 C VAL A 45 -7.248 -2.036 2.623 1.00 0.00 C ATOM 629 O VAL A 45 -7.259 -2.751 3.624 1.00 0.00 O ATOM 630 CB VAL A 45 -4.763 -1.810 2.554 1.00 0.00 C ATOM 631 CG1 VAL A 45 -4.533 -2.132 4.022 1.00 0.00 C ATOM 632 CG2 VAL A 45 -4.736 -3.075 1.710 1.00 0.00 C ATOM 0 H VAL A 45 -6.637 -0.085 4.140 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.160 -0.698 1.343 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.954 -1.160 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.584 -2.657 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.507 -1.207 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.343 -2.764 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.785 -3.588 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.552 -3.732 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.852 -2.813 0.658 1.00 0.00 H new ATOM 642 N GLY A 46 -8.215 -2.054 1.711 1.00 0.00 N ATOM 643 CA GLY A 46 -9.355 -2.940 1.856 1.00 0.00 C ATOM 644 C GLY A 46 -10.585 -2.222 2.376 1.00 0.00 C ATOM 645 O GLY A 46 -11.709 -2.684 2.186 1.00 0.00 O ATOM 0 H GLY A 46 -8.229 -1.471 0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.584 -3.394 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.097 -3.751 2.537 1.00 0.00 H new ATOM 649 N GLY A 47 -10.371 -1.088 3.036 1.00 0.00 N ATOM 650 CA GLY A 47 -11.480 -0.323 3.577 1.00 0.00 C ATOM 651 C GLY A 47 -11.393 -0.161 5.082 1.00 0.00 C ATOM 652 O GLY A 47 -12.409 -0.187 5.776 1.00 0.00 O ATOM 0 H GLY A 47 -9.449 -0.685 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.501 0.661 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.417 -0.817 3.321 1.00 0.00 H new ATOM 656 N LYS A 48 -10.176 0.005 5.588 1.00 0.00 N ATOM 657 CA LYS A 48 -9.959 0.172 7.020 1.00 0.00 C ATOM 658 C LYS A 48 -8.805 1.134 7.287 1.00 0.00 C ATOM 659 O LYS A 48 -8.238 1.712 6.360 1.00 0.00 O ATOM 660 CB LYS A 48 -9.671 -1.181 7.674 1.00 0.00 C ATOM 661 CG LYS A 48 -10.770 -2.207 7.459 1.00 0.00 C ATOM 662 CD LYS A 48 -11.981 -1.918 8.329 1.00 0.00 C ATOM 663 CE LYS A 48 -11.835 -2.537 9.711 1.00 0.00 C ATOM 664 NZ LYS A 48 -12.086 -4.004 9.691 1.00 0.00 N ATOM 0 H LYS A 48 -9.324 0.027 5.027 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.867 0.592 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.735 -1.575 7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.527 -1.034 8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.067 -2.209 6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.388 -3.203 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.113 -0.840 8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.878 -2.308 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.831 -2.345 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.532 -2.059 10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.094 -4.368 10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.005 -4.193 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.334 -4.478 9.151 1.00 0.00 H new ATOM 678 N THR A 49 -8.461 1.299 8.561 1.00 0.00 N ATOM 679 CA THR A 49 -7.375 2.190 8.950 1.00 0.00 C ATOM 680 C THR A 49 -6.198 1.406 9.518 1.00 0.00 C ATOM 681 O THR A 49 -6.284 0.840 10.608 1.00 0.00 O ATOM 682 CB THR A 49 -7.842 3.222 9.993 1.00 0.00 C ATOM 683 OG1 THR A 49 -9.112 3.764 9.613 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.827 4.346 10.134 1.00 0.00 C ATOM 0 H THR A 49 -8.919 0.827 9.341 1.00 0.00 H new ATOM 0 HA THR A 49 -7.057 2.714 8.049 1.00 0.00 H new ATOM 0 HB THR A 49 -7.937 2.716 10.954 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.402 4.418 10.283 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.179 5.063 10.876 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.870 3.934 10.453 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.704 4.848 9.174 1.00 0.00 H new ATOM 692 N VAL A 50 -5.097 1.377 8.773 1.00 0.00 N ATOM 693 CA VAL A 50 -3.901 0.663 9.204 1.00 0.00 C ATOM 694 C VAL A 50 -2.862 1.624 9.770 1.00 0.00 C ATOM 695 O VAL A 50 -3.048 2.840 9.747 1.00 0.00 O ATOM 696 CB VAL A 50 -3.273 -0.131 8.044 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.314 -1.016 7.377 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.639 0.814 7.034 1.00 0.00 C ATOM 0 H VAL A 50 -5.009 1.840 7.868 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.211 -0.033 9.984 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.491 -0.773 8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.851 -1.569 6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.717 -1.717 8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.121 -0.397 6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.200 0.236 6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.401 1.483 6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.862 1.401 7.523 1.00 0.00 H new ATOM 708 N GLY A 51 -1.765 1.070 10.276 1.00 0.00 N ATOM 709 CA GLY A 51 -0.711 1.893 10.841 1.00 0.00 C ATOM 710 C GLY A 51 0.403 1.068 11.454 1.00 0.00 C ATOM 711 O GLY A 51 1.278 0.569 10.746 1.00 0.00 O ATOM 0 H GLY A 51 -1.587 0.066 10.305 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.298 2.534 10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.135 2.548 11.602 1.00 0.00 H new ATOM 715 N SER A 52 0.373 0.925 12.776 1.00 0.00 N ATOM 716 CA SER A 52 1.391 0.159 13.485 1.00 0.00 C ATOM 717 C SER A 52 0.750 -0.899 14.378 1.00 0.00 C ATOM 718 O SER A 52 -0.428 -0.806 14.722 1.00 0.00 O ATOM 719 CB SER A 52 2.265 1.091 14.327 1.00 0.00 C ATOM 720 OG SER A 52 3.096 1.892 13.504 1.00 0.00 O ATOM 0 H SER A 52 -0.345 1.330 13.377 1.00 0.00 H new ATOM 0 HA SER A 52 2.014 -0.343 12.745 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.632 1.731 14.943 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.880 0.502 15.007 1.00 0.00 H new ATOM 0 HG SER A 52 3.643 2.480 14.065 1.00 0.00 H new ATOM 726 N SER A 53 1.535 -1.905 14.749 1.00 0.00 N ATOM 727 CA SER A 53 1.045 -2.985 15.598 1.00 0.00 C ATOM 728 C SER A 53 -0.093 -3.737 14.917 1.00 0.00 C ATOM 729 O SER A 53 -0.960 -4.307 15.581 1.00 0.00 O ATOM 730 CB SER A 53 0.572 -2.429 16.943 1.00 0.00 C ATOM 731 OG SER A 53 1.650 -2.316 17.856 1.00 0.00 O ATOM 0 H SER A 53 2.513 -1.995 14.475 1.00 0.00 H new ATOM 0 HA SER A 53 1.866 -3.681 15.769 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.113 -1.452 16.795 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.195 -3.081 17.360 1.00 0.00 H new ATOM 0 HG SER A 53 1.322 -1.957 18.707 1.00 0.00 H new ATOM 737 N SER A 54 -0.085 -3.735 13.588 1.00 0.00 N ATOM 738 CA SER A 54 -1.118 -4.414 12.815 1.00 0.00 C ATOM 739 C SER A 54 -0.509 -5.164 11.635 1.00 0.00 C ATOM 740 O SER A 54 0.698 -5.099 11.400 1.00 0.00 O ATOM 741 CB SER A 54 -2.154 -3.406 12.314 1.00 0.00 C ATOM 742 OG SER A 54 -3.419 -4.020 12.137 1.00 0.00 O ATOM 0 H SER A 54 0.626 -3.270 13.024 1.00 0.00 H new ATOM 0 HA SER A 54 -1.610 -5.136 13.467 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.241 -2.585 13.026 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.820 -2.975 11.370 1.00 0.00 H new ATOM 0 HG SER A 54 -4.064 -3.355 11.818 1.00 0.00 H new ATOM 748 N ARG A 55 -1.353 -5.877 10.896 1.00 0.00 N ATOM 749 CA ARG A 55 -0.899 -6.641 9.741 1.00 0.00 C ATOM 750 C ARG A 55 -0.107 -5.758 8.781 1.00 0.00 C ATOM 751 O ARG A 55 0.665 -6.252 7.960 1.00 0.00 O ATOM 752 CB ARG A 55 -2.093 -7.262 9.012 1.00 0.00 C ATOM 753 CG ARG A 55 -1.757 -8.551 8.281 1.00 0.00 C ATOM 754 CD ARG A 55 -2.971 -9.459 8.165 1.00 0.00 C ATOM 755 NE ARG A 55 -3.785 -9.137 6.996 1.00 0.00 N ATOM 756 CZ ARG A 55 -4.889 -9.797 6.665 1.00 0.00 C ATOM 757 NH1 ARG A 55 -5.310 -10.809 7.412 1.00 0.00 N ATOM 758 NH2 ARG A 55 -5.576 -9.445 5.585 1.00 0.00 N ATOM 0 H ARG A 55 -2.355 -5.941 11.077 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.245 -7.437 10.098 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.886 -7.460 9.734 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.486 -6.540 8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.379 -8.318 7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.960 -9.073 8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.643 -10.497 8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.578 -9.369 9.066 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.489 -8.363 6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.786 -11.082 8.243 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.158 -11.314 7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.256 -8.667 5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.424 -9.953 5.332 1.00 0.00 H new ATOM 772 N PHE A 56 -0.304 -4.448 8.892 1.00 0.00 N ATOM 773 CA PHE A 56 0.391 -3.496 8.033 1.00 0.00 C ATOM 774 C PHE A 56 1.180 -2.489 8.865 1.00 0.00 C ATOM 775 O PHE A 56 0.676 -1.952 9.851 1.00 0.00 O ATOM 776 CB PHE A 56 -0.609 -2.761 7.138 1.00 0.00 C ATOM 777 CG PHE A 56 -1.677 -3.653 6.573 1.00 0.00 C ATOM 778 CD1 PHE A 56 -2.637 -4.215 7.399 1.00 0.00 C ATOM 779 CD2 PHE A 56 -1.720 -3.931 5.216 1.00 0.00 C ATOM 780 CE1 PHE A 56 -3.621 -5.037 6.883 1.00 0.00 C ATOM 781 CE2 PHE A 56 -2.703 -4.752 4.695 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.654 -5.306 5.529 1.00 0.00 C ATOM 0 H PHE A 56 -0.938 -4.022 9.568 1.00 0.00 H new ATOM 0 HA PHE A 56 1.090 -4.051 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.080 -1.963 7.712 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.070 -2.288 6.317 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.616 -4.008 8.459 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.978 -3.502 4.559 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.363 -5.468 7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.727 -4.960 3.636 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.422 -5.948 5.123 1.00 0.00 H new ATOM 792 N GLN A 57 2.422 -2.241 8.460 1.00 0.00 N ATOM 793 CA GLN A 57 3.282 -1.300 9.169 1.00 0.00 C ATOM 794 C GLN A 57 3.622 -0.103 8.288 1.00 0.00 C ATOM 795 O GLN A 57 4.551 -0.156 7.483 1.00 0.00 O ATOM 796 CB GLN A 57 4.567 -1.995 9.624 1.00 0.00 C ATOM 797 CG GLN A 57 5.227 -2.826 8.535 1.00 0.00 C ATOM 798 CD GLN A 57 6.368 -3.675 9.060 1.00 0.00 C ATOM 799 OE1 GLN A 57 6.307 -4.904 9.029 1.00 0.00 O ATOM 800 NE2 GLN A 57 7.417 -3.022 9.547 1.00 0.00 N ATOM 0 H GLN A 57 2.855 -2.678 7.646 1.00 0.00 H new ATOM 0 HA GLN A 57 2.741 -0.941 10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.273 -1.242 9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.341 -2.639 10.474 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.480 -3.473 8.074 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.601 -2.164 7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.425 -2.002 9.553 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.215 -3.540 9.915 1.00 0.00 H new ATOM 809 N ALA A 58 2.861 0.976 8.445 1.00 0.00 N ATOM 810 CA ALA A 58 3.083 2.187 7.665 1.00 0.00 C ATOM 811 C ALA A 58 4.498 2.718 7.866 1.00 0.00 C ATOM 812 O ALA A 58 4.760 3.480 8.798 1.00 0.00 O ATOM 813 CB ALA A 58 2.060 3.250 8.038 1.00 0.00 C ATOM 0 H ALA A 58 2.086 1.036 9.105 1.00 0.00 H new ATOM 0 HA ALA A 58 2.963 1.937 6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.238 4.149 7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.056 2.876 7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.152 3.488 9.098 1.00 0.00 H new ATOM 819 N THR A 59 5.409 2.312 6.987 1.00 0.00 N ATOM 820 CA THR A 59 6.798 2.746 7.070 1.00 0.00 C ATOM 821 C THR A 59 7.006 4.065 6.335 1.00 0.00 C ATOM 822 O THR A 59 6.482 4.266 5.240 1.00 0.00 O ATOM 823 CB THR A 59 7.752 1.688 6.483 1.00 0.00 C ATOM 824 OG1 THR A 59 7.247 1.214 5.230 1.00 0.00 O ATOM 825 CG2 THR A 59 7.921 0.520 7.442 1.00 0.00 C ATOM 0 H THR A 59 5.210 1.683 6.209 1.00 0.00 H new ATOM 0 HA THR A 59 7.025 2.883 8.127 1.00 0.00 H new ATOM 0 HB THR A 59 8.725 2.154 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.533 1.809 4.919 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.599 -0.214 7.006 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.334 0.880 8.384 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.952 0.056 7.624 1.00 0.00 H new ATOM 833 N ARG A 60 7.775 4.961 6.945 1.00 0.00 N ATOM 834 CA ARG A 60 8.052 6.262 6.349 1.00 0.00 C ATOM 835 C ARG A 60 9.545 6.433 6.085 1.00 0.00 C ATOM 836 O ARG A 60 10.364 6.308 6.996 1.00 0.00 O ATOM 837 CB ARG A 60 7.554 7.383 7.263 1.00 0.00 C ATOM 838 CG ARG A 60 7.898 8.776 6.762 1.00 0.00 C ATOM 839 CD ARG A 60 7.425 9.849 7.731 1.00 0.00 C ATOM 840 NE ARG A 60 8.249 9.900 8.936 1.00 0.00 N ATOM 841 CZ ARG A 60 7.979 10.678 9.978 1.00 0.00 C ATOM 842 NH1 ARG A 60 6.913 11.465 9.964 1.00 0.00 N ATOM 843 NH2 ARG A 60 8.777 10.669 11.038 1.00 0.00 N ATOM 0 H ARG A 60 8.217 4.810 7.852 1.00 0.00 H new ATOM 0 HA ARG A 60 7.523 6.316 5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.472 7.301 7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.982 7.247 8.256 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.976 8.858 6.624 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.439 8.937 5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.447 10.820 7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.389 9.656 8.008 1.00 0.00 H new ATOM 0 HE ARG A 60 9.077 9.306 8.980 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.297 11.475 9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.709 12.061 10.766 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.598 10.064 11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.569 11.267 11.838 1.00 0.00 H new ATOM 857 N GLN A 61 9.891 6.717 4.834 1.00 0.00 N ATOM 858 CA GLN A 61 11.286 6.903 4.451 1.00 0.00 C ATOM 859 C GLN A 61 11.489 8.255 3.774 1.00 0.00 C ATOM 860 O GLN A 61 11.204 8.416 2.588 1.00 0.00 O ATOM 861 CB GLN A 61 11.734 5.779 3.516 1.00 0.00 C ATOM 862 CG GLN A 61 12.247 4.548 4.246 1.00 0.00 C ATOM 863 CD GLN A 61 13.722 4.644 4.586 1.00 0.00 C ATOM 864 OE1 GLN A 61 14.109 5.330 5.533 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.554 3.954 3.815 1.00 0.00 N ATOM 0 H GLN A 61 9.225 6.823 4.068 1.00 0.00 H new ATOM 0 HA GLN A 61 11.892 6.876 5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.897 5.491 2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.519 6.155 2.859 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.675 4.409 5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.077 3.666 3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.190 3.399 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.557 3.979 3.997 1.00 0.00 H new ATOM 874 N GLY A 62 11.984 9.225 4.537 1.00 0.00 N ATOM 875 CA GLY A 62 12.216 10.551 3.994 1.00 0.00 C ATOM 876 C GLY A 62 10.948 11.190 3.465 1.00 0.00 C ATOM 877 O GLY A 62 10.103 11.641 4.238 1.00 0.00 O ATOM 0 H GLY A 62 12.228 9.116 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.644 11.188 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.950 10.488 3.191 1.00 0.00 H new ATOM 881 N ARG A 63 10.816 11.232 2.143 1.00 0.00 N ATOM 882 CA ARG A 63 9.643 11.824 1.511 1.00 0.00 C ATOM 883 C ARG A 63 8.776 10.751 0.859 1.00 0.00 C ATOM 884 O ARG A 63 7.712 11.043 0.314 1.00 0.00 O ATOM 885 CB ARG A 63 10.068 12.856 0.464 1.00 0.00 C ATOM 886 CG ARG A 63 10.912 12.274 -0.658 1.00 0.00 C ATOM 887 CD ARG A 63 10.044 11.700 -1.767 1.00 0.00 C ATOM 888 NE ARG A 63 10.763 11.615 -3.035 1.00 0.00 N ATOM 889 CZ ARG A 63 10.980 12.658 -3.828 1.00 0.00 C ATOM 890 NH1 ARG A 63 10.537 13.860 -3.485 1.00 0.00 N ATOM 891 NH2 ARG A 63 11.642 12.501 -4.967 1.00 0.00 N ATOM 0 H ARG A 63 11.507 10.863 1.489 1.00 0.00 H new ATOM 0 HA ARG A 63 9.057 12.320 2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.177 13.315 0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.630 13.650 0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.561 13.049 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.560 11.493 -0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.698 10.707 -1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.158 12.323 -1.893 1.00 0.00 H new ATOM 0 HE ARG A 63 11.118 10.705 -3.328 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.028 13.985 -2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.705 14.659 -4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.985 11.578 -5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.808 13.303 -5.575 1.00 0.00 H new ATOM 905 N LYS A 64 9.239 9.507 0.919 1.00 0.00 N ATOM 906 CA LYS A 64 8.507 8.389 0.336 1.00 0.00 C ATOM 907 C LYS A 64 7.880 7.523 1.424 1.00 0.00 C ATOM 908 O LYS A 64 8.366 7.481 2.555 1.00 0.00 O ATOM 909 CB LYS A 64 9.439 7.540 -0.533 1.00 0.00 C ATOM 910 CG LYS A 64 8.763 6.321 -1.137 1.00 0.00 C ATOM 911 CD LYS A 64 9.647 5.652 -2.176 1.00 0.00 C ATOM 912 CE LYS A 64 10.809 4.915 -1.528 1.00 0.00 C ATOM 913 NZ LYS A 64 11.884 4.600 -2.510 1.00 0.00 N ATOM 0 H LYS A 64 10.118 9.248 1.366 1.00 0.00 H new ATOM 0 HA LYS A 64 7.709 8.794 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.838 8.159 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.287 7.214 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.524 5.608 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.820 6.617 -1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.053 4.952 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.031 6.403 -2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.220 5.523 -0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.447 3.991 -1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.657 4.098 -2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.498 3.999 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.248 5.483 -2.922 1.00 0.00 H new ATOM 927 N TYR A 65 6.801 6.832 1.075 1.00 0.00 N ATOM 928 CA TYR A 65 6.107 5.968 2.023 1.00 0.00 C ATOM 929 C TYR A 65 5.964 4.554 1.466 1.00 0.00 C ATOM 930 O TYR A 65 5.891 4.358 0.253 1.00 0.00 O ATOM 931 CB TYR A 65 4.728 6.540 2.353 1.00 0.00 C ATOM 932 CG TYR A 65 4.769 7.963 2.862 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.890 9.033 1.983 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.689 8.239 4.221 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.929 10.335 2.443 1.00 0.00 C ATOM 936 CE2 TYR A 65 4.725 9.538 4.690 1.00 0.00 C ATOM 937 CZ TYR A 65 4.846 10.582 3.797 1.00 0.00 C ATOM 938 OH TYR A 65 4.884 11.877 4.261 1.00 0.00 O ATOM 0 H TYR A 65 6.388 6.853 0.143 1.00 0.00 H new ATOM 0 HA TYR A 65 6.701 5.922 2.936 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.104 6.500 1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.252 5.908 3.103 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.955 8.843 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.597 7.424 4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.024 11.155 1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.659 9.735 5.750 1.00 0.00 H new ATOM 0 HH TYR A 65 4.813 11.876 5.238 1.00 0.00 H new ATOM 948 N ILE A 66 5.923 3.574 2.362 1.00 0.00 N ATOM 949 CA ILE A 66 5.787 2.179 1.962 1.00 0.00 C ATOM 950 C ILE A 66 4.850 1.427 2.902 1.00 0.00 C ATOM 951 O ILE A 66 5.069 1.387 4.113 1.00 0.00 O ATOM 952 CB ILE A 66 7.151 1.465 1.935 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.097 2.162 0.956 1.00 0.00 C ATOM 954 CG2 ILE A 66 6.975 0.001 1.559 1.00 0.00 C ATOM 955 CD1 ILE A 66 8.919 3.263 1.590 1.00 0.00 C ATOM 0 H ILE A 66 5.982 3.720 3.370 1.00 0.00 H new ATOM 0 HA ILE A 66 5.367 2.179 0.956 1.00 0.00 H new ATOM 0 HB ILE A 66 7.590 1.514 2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.769 1.421 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.514 2.581 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.948 -0.490 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.333 -0.488 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.518 -0.069 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.567 3.713 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.254 4.024 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.529 2.846 2.391 1.00 0.00 H new ATOM 967 N LEU A 67 3.807 0.831 2.335 1.00 0.00 N ATOM 968 CA LEU A 67 2.837 0.077 3.122 1.00 0.00 C ATOM 969 C LEU A 67 3.131 -1.419 3.062 1.00 0.00 C ATOM 970 O LEU A 67 2.819 -2.084 2.075 1.00 0.00 O ATOM 971 CB LEU A 67 1.419 0.350 2.617 1.00 0.00 C ATOM 972 CG LEU A 67 0.285 -0.277 3.429 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.235 0.320 4.826 1.00 0.00 C ATOM 974 CD2 LEU A 67 -1.048 -0.088 2.718 1.00 0.00 C ATOM 0 H LEU A 67 3.611 0.855 1.334 1.00 0.00 H new ATOM 0 HA LEU A 67 2.916 0.403 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.266 1.429 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.345 -0.009 1.590 1.00 0.00 H new ATOM 0 HG LEU A 67 0.477 -1.346 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.578 -0.139 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.180 0.133 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.067 1.395 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.844 -0.540 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.247 0.977 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.009 -0.565 1.739 1.00 0.00 H new ATOM 986 N VAL A 68 3.731 -1.941 4.126 1.00 0.00 N ATOM 987 CA VAL A 68 4.065 -3.359 4.197 1.00 0.00 C ATOM 988 C VAL A 68 2.826 -4.202 4.482 1.00 0.00 C ATOM 989 O VAL A 68 2.157 -4.016 5.498 1.00 0.00 O ATOM 990 CB VAL A 68 5.121 -3.634 5.283 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.151 -5.113 5.637 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.492 -3.159 4.826 1.00 0.00 C ATOM 0 H VAL A 68 3.996 -1.404 4.951 1.00 0.00 H new ATOM 0 HA VAL A 68 4.474 -3.636 3.226 1.00 0.00 H new ATOM 0 HB VAL A 68 4.849 -3.076 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.903 -5.288 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.173 -5.418 6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.398 -5.695 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.226 -3.361 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.775 -3.687 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.459 -2.088 4.628 1.00 0.00 H new ATOM 1002 N VAL A 69 2.527 -5.129 3.578 1.00 0.00 N ATOM 1003 CA VAL A 69 1.370 -6.002 3.733 1.00 0.00 C ATOM 1004 C VAL A 69 1.792 -7.404 4.158 1.00 0.00 C ATOM 1005 O VAL A 69 2.529 -8.085 3.444 1.00 0.00 O ATOM 1006 CB VAL A 69 0.559 -6.096 2.426 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.614 -7.050 2.593 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.079 -4.718 1.998 1.00 0.00 C ATOM 0 H VAL A 69 3.070 -5.295 2.731 1.00 0.00 H new ATOM 0 HA VAL A 69 0.744 -5.563 4.510 1.00 0.00 H new ATOM 0 HB VAL A 69 1.208 -6.489 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.175 -7.104 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.243 -8.042 2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.266 -6.689 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.492 -4.803 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.554 -4.295 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.938 -4.068 1.835 1.00 0.00 H new ATOM 1018 N ARG A 70 1.320 -7.830 5.325 1.00 0.00 N ATOM 1019 CA ARG A 70 1.649 -9.151 5.846 1.00 0.00 C ATOM 1020 C ARG A 70 0.460 -10.099 5.715 1.00 0.00 C ATOM 1021 O ARG A 70 -0.692 -9.666 5.709 1.00 0.00 O ATOM 1022 CB ARG A 70 2.077 -9.053 7.311 1.00 0.00 C ATOM 1023 CG ARG A 70 3.237 -8.098 7.544 1.00 0.00 C ATOM 1024 CD ARG A 70 3.584 -7.992 9.021 1.00 0.00 C ATOM 1025 NE ARG A 70 2.417 -8.205 9.874 1.00 0.00 N ATOM 1026 CZ ARG A 70 2.002 -9.404 10.266 1.00 0.00 C ATOM 1027 NH1 ARG A 70 2.656 -10.493 9.884 1.00 0.00 N ATOM 1028 NH2 ARG A 70 0.932 -9.517 11.042 1.00 0.00 N ATOM 0 H ARG A 70 0.708 -7.279 5.928 1.00 0.00 H new ATOM 0 HA ARG A 70 2.476 -9.550 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.225 -8.729 7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.357 -10.045 7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.109 -8.441 6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.981 -7.111 7.158 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.351 -8.726 9.267 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.007 -7.008 9.224 1.00 0.00 H new ATOM 0 HE ARG A 70 1.892 -7.388 10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.480 -10.411 9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.335 -11.413 10.186 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.427 -8.682 11.339 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.615 -10.439 11.342 1.00 0.00 H new ATOM 1042 N GLU A 71 0.749 -11.392 5.610 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.297 -12.400 5.478 1.00 0.00 C ATOM 1044 C GLU A 71 -1.371 -11.943 4.495 1.00 0.00 C ATOM 1045 O GLU A 71 -2.562 -11.964 4.807 1.00 0.00 O ATOM 1046 CB GLU A 71 -0.928 -12.693 6.841 1.00 0.00 C ATOM 1047 CG GLU A 71 0.030 -13.337 7.829 1.00 0.00 C ATOM 1048 CD GLU A 71 0.294 -14.798 7.518 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -0.680 -15.533 7.255 1.00 0.00 O ATOM 1050 OE2 GLU A 71 1.474 -15.205 7.539 1.00 0.00 O ATOM 0 H GLU A 71 1.698 -11.766 5.614 1.00 0.00 H new ATOM 0 HA GLU A 71 0.159 -13.312 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.303 -11.762 7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.787 -13.349 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.974 -12.792 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.380 -13.252 8.835 1.00 0.00 H new ATOM 1057 N ALA A 72 -0.941 -11.530 3.308 1.00 0.00 N ATOM 1058 CA ALA A 72 -1.865 -11.069 2.279 1.00 0.00 C ATOM 1059 C ALA A 72 -2.973 -12.090 2.039 1.00 0.00 C ATOM 1060 O ALA A 72 -2.735 -13.156 1.471 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.116 -10.786 0.985 1.00 0.00 C ATOM 0 H ALA A 72 0.041 -11.505 3.035 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.327 -10.145 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.819 -10.443 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.365 -10.015 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.627 -11.697 0.641 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.183 -11.757 2.475 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.327 -12.644 2.306 1.00 0.00 C ATOM 1069 C ALA A 73 -6.131 -12.273 1.064 1.00 0.00 C ATOM 1070 O ALA A 73 -6.089 -11.140 0.583 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.213 -12.603 3.542 1.00 0.00 C ATOM 0 H ALA A 73 -4.396 -10.879 2.948 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.952 -13.659 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.064 -13.270 3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.639 -12.924 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.572 -11.586 3.699 1.00 0.00 H new ATOM 1077 N PRO A 74 -6.880 -13.249 0.530 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.708 -13.048 -0.663 1.00 0.00 C ATOM 1079 C PRO A 74 -8.905 -12.142 -0.393 1.00 0.00 C ATOM 1080 O PRO A 74 -9.596 -11.719 -1.319 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.176 -14.463 -1.011 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.129 -15.207 0.279 1.00 0.00 C ATOM 1083 CD PRO A 74 -6.978 -14.623 1.051 1.00 0.00 C ATOM 0 HA PRO A 74 -7.156 -12.557 -1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.184 -14.455 -1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.527 -14.922 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.064 -15.096 0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.984 -16.274 0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.168 -14.633 2.124 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.057 -15.182 0.885 1.00 0.00 H new ATOM 1091 N SER A 75 -9.143 -11.849 0.881 1.00 0.00 N ATOM 1092 CA SER A 75 -10.259 -10.995 1.273 1.00 0.00 C ATOM 1093 C SER A 75 -9.870 -9.522 1.194 1.00 0.00 C ATOM 1094 O SER A 75 -10.726 -8.650 1.044 1.00 0.00 O ATOM 1095 CB SER A 75 -10.717 -11.338 2.692 1.00 0.00 C ATOM 1096 OG SER A 75 -11.329 -12.615 2.736 1.00 0.00 O ATOM 0 H SER A 75 -8.579 -12.190 1.659 1.00 0.00 H new ATOM 0 HA SER A 75 -11.081 -11.173 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.862 -11.317 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.420 -10.582 3.043 1.00 0.00 H new ATOM 0 HG SER A 75 -11.611 -12.811 3.654 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.573 -9.253 1.294 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.069 -7.886 1.233 1.00 0.00 C ATOM 1104 C ASP A 76 -8.107 -7.357 -0.197 1.00 0.00 C ATOM 1105 O ASP A 76 -8.343 -6.170 -0.424 1.00 0.00 O ATOM 1106 CB ASP A 76 -6.640 -7.822 1.776 1.00 0.00 C ATOM 1107 CG ASP A 76 -6.596 -7.832 3.291 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -7.563 -8.324 3.909 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -5.594 -7.348 3.859 1.00 0.00 O ATOM 0 H ASP A 76 -7.852 -9.963 1.418 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.712 -7.259 1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.071 -8.669 1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.154 -6.919 1.407 1.00 0.00 H new ATOM 1114 N ALA A 77 -7.872 -8.244 -1.158 1.00 0.00 N ATOM 1115 CA ALA A 77 -7.881 -7.867 -2.566 1.00 0.00 C ATOM 1116 C ALA A 77 -9.085 -6.989 -2.891 1.00 0.00 C ATOM 1117 O ALA A 77 -10.229 -7.432 -2.805 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.877 -9.108 -3.445 1.00 0.00 C ATOM 0 H ALA A 77 -7.673 -9.230 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.979 -7.290 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.884 -8.811 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.982 -9.696 -3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.762 -9.708 -3.232 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.818 -5.741 -3.265 1.00 0.00 N ATOM 1125 CA GLY A 78 -9.890 -4.821 -3.597 1.00 0.00 C ATOM 1126 C GLY A 78 -9.378 -3.526 -4.195 1.00 0.00 C ATOM 1127 O GLY A 78 -9.296 -3.389 -5.415 1.00 0.00 O ATOM 0 H GLY A 78 -7.879 -5.351 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.570 -5.299 -4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.466 -4.600 -2.699 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.035 -2.573 -3.334 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.531 -1.281 -3.786 1.00 0.00 C ATOM 1133 C GLU A 79 -7.784 -0.566 -2.664 1.00 0.00 C ATOM 1134 O GLU A 79 -8.347 -0.293 -1.603 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.682 -0.406 -4.286 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.243 0.974 -4.744 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.381 1.977 -4.750 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -11.124 2.035 -3.748 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -10.528 2.702 -5.755 1.00 0.00 O ATOM 0 H GLU A 79 -9.097 -2.671 -2.321 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.836 -1.458 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.180 -0.913 -5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.418 -0.298 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.450 1.334 -4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.821 0.903 -5.747 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.512 -0.266 -2.905 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.687 0.418 -1.917 1.00 0.00 C ATOM 1148 C VAL A 80 -5.764 1.931 -2.088 1.00 0.00 C ATOM 1149 O VAL A 80 -5.638 2.448 -3.198 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.214 -0.024 -2.012 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.483 0.271 -0.711 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.124 -1.502 -2.360 1.00 0.00 C ATOM 0 H VAL A 80 -6.030 -0.486 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.078 0.146 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.732 0.544 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.444 -0.048 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.518 1.341 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.962 -0.269 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.077 -1.798 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.621 -2.089 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.610 -1.680 -3.319 1.00 0.00 H new ATOM 1162 N VAL A 81 -5.971 2.637 -0.981 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.063 4.091 -1.008 1.00 0.00 C ATOM 1164 C VAL A 81 -5.093 4.722 -0.015 1.00 0.00 C ATOM 1165 O VAL A 81 -4.816 4.157 1.043 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.491 4.569 -0.687 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -7.512 6.072 -0.454 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.446 4.182 -1.807 1.00 0.00 C ATOM 0 H VAL A 81 -6.078 2.225 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.801 4.406 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.822 4.079 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.530 6.391 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.860 6.319 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.161 6.584 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.451 4.527 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.119 4.643 -2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.453 3.098 -1.921 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.580 5.897 -0.363 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.639 6.606 0.498 1.00 0.00 C ATOM 1180 C PHE A 82 -3.920 8.106 0.491 1.00 0.00 C ATOM 1181 O PHE A 82 -3.771 8.771 -0.534 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.202 6.342 0.045 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.206 7.311 0.616 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -0.881 7.278 1.962 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.595 8.255 -0.194 1.00 0.00 C ATOM 1186 CE1 PHE A 82 0.035 8.168 2.491 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.322 9.147 0.328 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.636 9.104 1.673 1.00 0.00 C ATOM 0 H PHE A 82 -4.799 6.379 -1.235 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.765 6.235 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.919 5.330 0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.158 6.387 -1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.349 6.548 2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.838 8.294 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.280 8.131 3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.793 9.877 -0.314 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.351 9.802 2.084 1.00 0.00 H new ATOM 1198 N SER A 83 -4.327 8.631 1.642 1.00 0.00 N ATOM 1199 CA SER A 83 -4.633 10.051 1.769 1.00 0.00 C ATOM 1200 C SER A 83 -3.519 10.782 2.513 1.00 0.00 C ATOM 1201 O SER A 83 -3.035 10.315 3.543 1.00 0.00 O ATOM 1202 CB SER A 83 -5.963 10.245 2.499 1.00 0.00 C ATOM 1203 OG SER A 83 -6.479 11.547 2.281 1.00 0.00 O ATOM 0 H SER A 83 -4.453 8.094 2.500 1.00 0.00 H new ATOM 0 HA SER A 83 -4.713 10.471 0.767 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.683 9.503 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.823 10.080 3.567 1.00 0.00 H new ATOM 0 HG SER A 83 -6.805 11.620 1.360 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.118 11.933 1.982 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.063 12.731 2.595 1.00 0.00 C ATOM 1211 C VAL A 84 -2.298 14.220 2.368 1.00 0.00 C ATOM 1212 O VAL A 84 -2.735 14.634 1.294 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.678 12.351 2.040 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.659 12.468 0.524 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.403 13.221 2.663 1.00 0.00 C ATOM 0 H VAL A 84 -3.508 12.333 1.129 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.088 12.521 3.664 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.474 11.313 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.328 12.195 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.406 11.798 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.885 13.494 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.375 12.938 2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.205 14.268 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.405 13.081 3.744 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.004 15.022 3.387 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.184 16.466 3.299 1.00 0.00 C ATOM 1227 C ARG A 85 -3.450 16.810 2.520 1.00 0.00 C ATOM 1228 O ARG A 85 -3.543 17.870 1.903 1.00 0.00 O ATOM 1229 CB ARG A 85 -0.969 17.113 2.631 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.877 16.838 1.139 1.00 0.00 C ATOM 1231 CD ARG A 85 -0.135 17.950 0.413 1.00 0.00 C ATOM 1232 NE ARG A 85 1.314 17.798 0.514 1.00 0.00 N ATOM 1233 CZ ARG A 85 2.024 16.991 -0.266 1.00 0.00 C ATOM 1234 NH1 ARG A 85 1.423 16.268 -1.200 1.00 0.00 N ATOM 1235 NH2 ARG A 85 3.340 16.908 -0.114 1.00 0.00 N ATOM 0 H ARG A 85 -1.640 14.696 4.282 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.284 16.857 4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.007 18.190 2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.062 16.750 3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.366 15.890 0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.880 16.737 0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.427 17.955 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.428 18.914 0.830 1.00 0.00 H new ATOM 0 HE ARG A 85 1.808 18.341 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.412 16.330 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.971 15.649 -1.797 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.807 17.464 0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.885 16.288 -0.713 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.423 15.904 2.552 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.670 16.130 1.844 1.00 0.00 C ATOM 1251 C GLY A 86 -5.794 15.273 0.600 1.00 0.00 C ATOM 1252 O GLY A 86 -6.853 14.702 0.333 1.00 0.00 O ATOM 0 H GLY A 86 -4.370 15.018 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.506 15.920 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.741 17.181 1.566 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.711 15.182 -0.164 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.703 14.389 -1.388 1.00 0.00 C ATOM 1258 C LEU A 87 -5.087 12.941 -1.102 1.00 0.00 C ATOM 1259 O LEU A 87 -5.116 12.511 0.052 1.00 0.00 O ATOM 1260 CB LEU A 87 -3.323 14.442 -2.045 1.00 0.00 C ATOM 1261 CG LEU A 87 -3.089 15.594 -3.023 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -1.603 15.769 -3.295 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -3.846 15.353 -4.321 1.00 0.00 C ATOM 0 H LEU A 87 -3.827 15.648 0.043 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.440 14.813 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.570 14.501 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.158 13.503 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.465 16.512 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.455 16.593 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.085 15.987 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.202 14.852 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.668 16.183 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.500 14.426 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.913 15.278 -4.111 1.00 0.00 H new ATOM 1275 N THR A 88 -5.380 12.191 -2.160 1.00 0.00 N ATOM 1276 CA THR A 88 -5.761 10.791 -2.023 1.00 0.00 C ATOM 1277 C THR A 88 -5.539 10.031 -3.325 1.00 0.00 C ATOM 1278 O THR A 88 -5.810 10.546 -4.410 1.00 0.00 O ATOM 1279 CB THR A 88 -7.236 10.649 -1.603 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.485 11.417 -0.421 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.588 9.191 -1.349 1.00 0.00 C ATOM 0 H THR A 88 -5.361 12.530 -3.122 1.00 0.00 H new ATOM 0 HA THR A 88 -5.127 10.365 -1.245 1.00 0.00 H new ATOM 0 HB THR A 88 -7.860 11.021 -2.416 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.425 11.322 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.635 9.115 -1.054 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.425 8.614 -2.259 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.957 8.798 -0.552 1.00 0.00 H new ATOM 1289 N SER A 89 -5.046 8.802 -3.212 1.00 0.00 N ATOM 1290 CA SER A 89 -4.785 7.971 -4.382 1.00 0.00 C ATOM 1291 C SER A 89 -5.612 6.690 -4.333 1.00 0.00 C ATOM 1292 O SER A 89 -6.329 6.435 -3.365 1.00 0.00 O ATOM 1293 CB SER A 89 -3.297 7.629 -4.469 1.00 0.00 C ATOM 1294 OG SER A 89 -2.991 6.991 -5.697 1.00 0.00 O ATOM 0 H SER A 89 -4.819 8.359 -2.322 1.00 0.00 H new ATOM 0 HA SER A 89 -5.073 8.535 -5.270 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.705 8.539 -4.371 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.021 6.979 -3.639 1.00 0.00 H new ATOM 0 HG SER A 89 -2.034 6.784 -5.729 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.507 5.886 -5.386 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.242 4.629 -5.465 1.00 0.00 C ATOM 1302 C LYS A 90 -5.483 3.607 -6.304 1.00 0.00 C ATOM 1303 O LYS A 90 -4.951 3.932 -7.365 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.631 4.865 -6.063 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.695 5.178 -5.026 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.788 6.066 -5.597 1.00 0.00 C ATOM 1307 CE LYS A 90 -9.400 7.535 -5.536 1.00 0.00 C ATOM 1308 NZ LYS A 90 -9.615 8.109 -4.178 1.00 0.00 N ATOM 0 H LYS A 90 -4.920 6.083 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.350 4.235 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.576 5.689 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.931 3.980 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.133 4.249 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.235 5.671 -4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.985 5.783 -6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.713 5.909 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.352 7.646 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.985 8.096 -6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.339 9.112 -4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.619 8.026 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.037 7.590 -3.486 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.438 2.369 -5.822 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.747 1.298 -6.530 1.00 0.00 C ATOM 1324 C ALA A 91 -5.511 -0.017 -6.418 1.00 0.00 C ATOM 1325 O ALA A 91 -6.538 -0.093 -5.744 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.333 1.136 -5.991 1.00 0.00 C ATOM 0 H ALA A 91 -5.872 2.083 -4.944 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.694 1.568 -7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.829 0.333 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.782 2.067 -6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.374 0.892 -4.929 1.00 0.00 H new ATOM 1332 N SER A 92 -5.004 -1.049 -7.084 1.00 0.00 N ATOM 1333 CA SER A 92 -5.642 -2.360 -7.062 1.00 0.00 C ATOM 1334 C SER A 92 -4.650 -3.441 -6.644 1.00 0.00 C ATOM 1335 O SER A 92 -3.456 -3.351 -6.935 1.00 0.00 O ATOM 1336 CB SER A 92 -6.223 -2.691 -8.439 1.00 0.00 C ATOM 1337 OG SER A 92 -7.280 -1.808 -8.772 1.00 0.00 O ATOM 0 H SER A 92 -4.154 -1.003 -7.645 1.00 0.00 H new ATOM 0 HA SER A 92 -6.450 -2.331 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.439 -2.625 -9.193 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.587 -3.718 -8.446 1.00 0.00 H new ATOM 0 HG SER A 92 -7.633 -2.039 -9.657 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.151 -4.462 -5.959 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.310 -5.562 -5.499 1.00 0.00 C ATOM 1345 C LEU A 93 -4.866 -6.904 -5.964 1.00 0.00 C ATOM 1346 O LEU A 93 -6.079 -7.071 -6.099 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.201 -5.543 -3.973 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.584 -6.785 -3.329 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.138 -6.952 -3.768 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.676 -6.701 -1.812 1.00 0.00 C ATOM 0 H LEU A 93 -6.136 -4.552 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.317 -5.432 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.609 -4.675 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.199 -5.402 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.146 -7.659 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.716 -7.841 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.097 -7.059 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.563 -6.076 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.232 -7.593 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.140 -5.818 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.722 -6.631 -1.514 1.00 0.00 H new ATOM 1362 N ILE A 94 -3.972 -7.857 -6.205 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.374 -9.186 -6.651 1.00 0.00 C ATOM 1364 C ILE A 94 -3.807 -10.267 -5.738 1.00 0.00 C ATOM 1365 O ILE A 94 -2.610 -10.288 -5.451 1.00 0.00 O ATOM 1366 CB ILE A 94 -3.915 -9.457 -8.096 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.506 -8.413 -9.046 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.318 -10.860 -8.525 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -3.633 -7.190 -9.218 1.00 0.00 C ATOM 0 H ILE A 94 -2.965 -7.734 -6.099 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.463 -9.216 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.828 -9.384 -8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.670 -8.872 -10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.482 -8.103 -8.671 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.987 -11.037 -9.548 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.854 -11.590 -7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.402 -10.959 -8.472 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.114 -6.493 -9.904 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.489 -6.707 -8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.665 -7.488 -9.622 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.675 -11.166 -5.284 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.261 -12.253 -4.406 1.00 0.00 C ATOM 1383 C VAL A 95 -4.777 -13.596 -4.912 1.00 0.00 C ATOM 1384 O VAL A 95 -5.971 -13.884 -4.831 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.762 -12.033 -2.966 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.197 -13.096 -2.035 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.394 -10.639 -2.482 1.00 0.00 C ATOM 0 H VAL A 95 -5.670 -11.162 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.171 -12.262 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.848 -12.120 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.562 -12.924 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.515 -14.082 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.108 -13.044 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.755 -10.500 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.311 -10.521 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.852 -9.895 -3.134 1.00 0.00 H new ATOM 1397 N ARG A 96 -3.869 -14.414 -5.433 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.232 -15.727 -5.953 1.00 0.00 C ATOM 1399 C ARG A 96 -4.013 -16.809 -4.900 1.00 0.00 C ATOM 1400 O ARG A 96 -2.976 -16.842 -4.238 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.414 -16.046 -7.206 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.827 -15.238 -8.425 1.00 0.00 C ATOM 1403 CD ARG A 96 -5.134 -15.746 -9.014 1.00 0.00 C ATOM 1404 NE ARG A 96 -4.917 -16.806 -9.995 1.00 0.00 N ATOM 1405 CZ ARG A 96 -4.275 -16.625 -11.143 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -3.787 -15.432 -11.453 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -4.118 -17.640 -11.984 1.00 0.00 N ATOM 0 H ARG A 96 -2.876 -14.191 -5.506 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.290 -15.707 -6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.360 -15.861 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.513 -17.107 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.935 -14.189 -8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.042 -15.289 -9.180 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.772 -16.119 -8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.665 -14.919 -9.485 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.279 -17.737 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.904 -14.650 -10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.294 -15.296 -12.336 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.491 -18.560 -11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.625 -17.500 -12.866 1.00 0.00 H new ATOM 1421 N GLU A 97 -4.997 -17.690 -4.751 1.00 0.00 N ATOM 1422 CA GLU A 97 -4.911 -18.772 -3.777 1.00 0.00 C ATOM 1423 C GLU A 97 -3.781 -19.734 -4.131 1.00 0.00 C ATOM 1424 O GLU A 97 -3.504 -19.978 -5.305 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.238 -19.530 -3.706 1.00 0.00 C ATOM 1426 CG GLU A 97 -6.617 -20.217 -5.008 1.00 0.00 C ATOM 1427 CD GLU A 97 -7.957 -20.921 -4.927 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -8.987 -20.224 -4.810 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -7.977 -22.169 -4.981 1.00 0.00 O ATOM 0 H GLU A 97 -5.862 -17.676 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.699 -18.333 -2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.178 -20.277 -2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.030 -18.834 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.647 -19.478 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.846 -20.941 -5.270 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.132 -20.277 -3.106 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.031 -21.211 -3.308 1.00 0.00 C ATOM 1438 C ARG A 98 -2.527 -22.654 -3.267 1.00 0.00 C ATOM 1439 O ARG A 98 -3.689 -22.912 -2.955 1.00 0.00 O ATOM 1440 CB ARG A 98 -0.954 -21.001 -2.242 1.00 0.00 C ATOM 1441 CG ARG A 98 -1.422 -21.321 -0.832 1.00 0.00 C ATOM 1442 CD ARG A 98 -0.262 -21.738 0.059 1.00 0.00 C ATOM 1443 NE ARG A 98 0.606 -20.612 0.392 1.00 0.00 N ATOM 1444 CZ ARG A 98 1.683 -20.717 1.162 1.00 0.00 C ATOM 1445 NH1 ARG A 98 2.023 -21.891 1.676 1.00 0.00 N ATOM 1446 NH2 ARG A 98 2.423 -19.646 1.420 1.00 0.00 N ATOM 0 H ARG A 98 -3.350 -20.086 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.602 -21.020 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.093 -21.625 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.617 -19.965 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.915 -20.448 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.162 -22.121 -0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.651 -22.180 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.322 -22.509 -0.444 1.00 0.00 H new ATOM 0 HE ARG A 98 0.372 -19.695 0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 98 1.457 -22.717 1.480 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.851 -21.969 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.165 -18.741 1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.250 -19.728 2.012 1.00 0.00 H new ATOM 1460 N SER A 99 -1.637 -23.589 -3.585 1.00 0.00 N ATOM 1461 CA SER A 99 -1.986 -25.005 -3.589 1.00 0.00 C ATOM 1462 C SER A 99 -0.744 -25.869 -3.785 1.00 0.00 C ATOM 1463 O SER A 99 0.303 -25.384 -4.210 1.00 0.00 O ATOM 1464 CB SER A 99 -3.004 -25.298 -4.692 1.00 0.00 C ATOM 1465 OG SER A 99 -3.746 -26.470 -4.403 1.00 0.00 O ATOM 0 H SER A 99 -0.670 -23.392 -3.843 1.00 0.00 H new ATOM 0 HA SER A 99 -2.428 -25.248 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.682 -24.452 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.488 -25.416 -5.645 1.00 0.00 H new ATOM 0 HG SER A 99 -4.391 -26.635 -5.122 1.00 0.00 H new ATOM 1471 N GLY A 100 -0.870 -27.155 -3.470 1.00 0.00 N ATOM 1472 CA GLY A 100 0.249 -28.068 -3.618 1.00 0.00 C ATOM 1473 C GLY A 100 -0.047 -29.195 -4.587 1.00 0.00 C ATOM 1474 O GLY A 100 -1.177 -29.672 -4.692 1.00 0.00 O ATOM 0 H GLY A 100 -1.726 -27.581 -3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.122 -27.515 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.503 -28.487 -2.644 1.00 0.00 H new ATOM 1478 N PRO A 101 0.987 -29.638 -5.319 1.00 0.00 N ATOM 1479 CA PRO A 101 0.857 -30.720 -6.299 1.00 0.00 C ATOM 1480 C PRO A 101 0.618 -32.074 -5.638 1.00 0.00 C ATOM 1481 O PRO A 101 -0.305 -32.800 -6.006 1.00 0.00 O ATOM 1482 CB PRO A 101 2.206 -30.708 -7.021 1.00 0.00 C ATOM 1483 CG PRO A 101 3.157 -30.115 -6.039 1.00 0.00 C ATOM 1484 CD PRO A 101 2.362 -29.115 -5.246 1.00 0.00 C ATOM 0 HA PRO A 101 0.003 -30.572 -6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.510 -31.715 -7.308 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.160 -30.116 -7.935 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.577 -30.883 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.993 -29.635 -6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.713 -29.049 -4.216 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.435 -28.115 -5.673 1.00 0.00 H new ATOM 1492 N SER A 102 1.456 -32.407 -4.662 1.00 0.00 N ATOM 1493 CA SER A 102 1.338 -33.676 -3.953 1.00 0.00 C ATOM 1494 C SER A 102 0.698 -33.474 -2.582 1.00 0.00 C ATOM 1495 O SER A 102 0.945 -32.473 -1.911 1.00 0.00 O ATOM 1496 CB SER A 102 2.714 -34.326 -3.795 1.00 0.00 C ATOM 1497 OG SER A 102 3.129 -34.941 -5.002 1.00 0.00 O ATOM 0 H SER A 102 2.224 -31.816 -4.344 1.00 0.00 H new ATOM 0 HA SER A 102 0.698 -34.335 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.443 -33.573 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.679 -35.069 -2.998 1.00 0.00 H new ATOM 0 HG SER A 102 4.012 -35.347 -4.875 1.00 0.00 H new ATOM 1503 N SER A 103 -0.127 -34.434 -2.175 1.00 0.00 N ATOM 1504 CA SER A 103 -0.806 -34.361 -0.886 1.00 0.00 C ATOM 1505 C SER A 103 -0.237 -35.390 0.087 1.00 0.00 C ATOM 1506 O SER A 103 -0.198 -36.584 -0.207 1.00 0.00 O ATOM 1507 CB SER A 103 -2.309 -34.588 -1.065 1.00 0.00 C ATOM 1508 OG SER A 103 -2.571 -35.882 -1.581 1.00 0.00 O ATOM 0 H SER A 103 -0.341 -35.270 -2.718 1.00 0.00 H new ATOM 0 HA SER A 103 -0.642 -33.366 -0.472 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.815 -34.465 -0.107 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.716 -33.835 -1.739 1.00 0.00 H new ATOM 0 HG SER A 103 -1.853 -36.493 -1.313 1.00 0.00 H new ATOM 1514 N GLY A 104 0.204 -34.915 1.248 1.00 0.00 N ATOM 1515 CA GLY A 104 0.766 -35.805 2.247 1.00 0.00 C ATOM 1516 C GLY A 104 2.257 -35.606 2.429 1.00 0.00 C ATOM 1517 O GLY A 104 2.885 -36.279 3.246 1.00 0.00 O ATOM 0 H GLY A 104 0.182 -33.931 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.262 -35.641 3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.573 -36.838 1.958 1.00 0.00 H new TER 1521 GLY A 104