USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 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 -5:sc= 0.802 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -79:sc= 1.09 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0504 USER MOD Single : A 12 MET CE :methyl 163:sc= -3.63! (180deg=-4.36!) USER MOD Single : A 13 THR OG1 : rot 141:sc= 0.741 USER MOD Single : A 14 CYS SG : rot -47:sc= 0.309 USER MOD Single : A 15 SER OG : rot 133:sc= 1.3 USER MOD Single : A 17 TYR OH : rot -177:sc= 0.25 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.214 X(o=-0.21,f=0.036) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.244) USER MOD Single : A 39 GLN : amide:sc= -0.356 K(o=-0.36,f=-2.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0801 X(o=-0.08,f=-0.25) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= 0.729 F(o=-0.061,f=0.73) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 71 SER OG : rot 180:sc=-0.000367 USER MOD Single : A 73 LYS NZ :NH3+ -120:sc= -0.0334 (180deg=-0.392) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.867 -13.852 20.189 1.00 0.00 N ATOM 2 CA GLY A 1 3.293 -12.493 20.466 1.00 0.00 C ATOM 3 C GLY A 1 4.772 -12.402 20.787 1.00 0.00 C ATOM 4 O GLY A 1 5.151 -12.048 21.903 1.00 0.00 O ATOM 0 H1 GLY A 1 1.849 -13.860 19.976 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.395 -14.222 19.373 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.051 -14.450 21.020 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.072 -11.864 19.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.718 -12.099 21.304 1.00 0.00 H new ATOM 8 N SER A 2 5.609 -12.725 19.806 1.00 0.00 N ATOM 9 CA SER A 2 7.055 -12.684 19.991 1.00 0.00 C ATOM 10 C SER A 2 7.525 -11.262 20.285 1.00 0.00 C ATOM 11 O SER A 2 7.345 -10.356 19.471 1.00 0.00 O ATOM 12 CB SER A 2 7.765 -13.221 18.747 1.00 0.00 C ATOM 13 OG SER A 2 9.172 -13.109 18.875 1.00 0.00 O ATOM 0 H SER A 2 5.311 -13.018 18.876 1.00 0.00 H new ATOM 0 HA SER A 2 7.305 -13.315 20.844 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.493 -14.265 18.591 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.432 -12.670 17.868 1.00 0.00 H new ATOM 0 HG SER A 2 9.603 -13.460 18.068 1.00 0.00 H new ATOM 19 N SER A 3 8.127 -11.075 21.455 1.00 0.00 N ATOM 20 CA SER A 3 8.620 -9.763 21.859 1.00 0.00 C ATOM 21 C SER A 3 9.456 -9.131 20.750 1.00 0.00 C ATOM 22 O SER A 3 10.453 -9.700 20.308 1.00 0.00 O ATOM 23 CB SER A 3 9.453 -9.880 23.137 1.00 0.00 C ATOM 24 OG SER A 3 10.765 -10.332 22.852 1.00 0.00 O ATOM 0 H SER A 3 8.285 -11.814 22.139 1.00 0.00 H new ATOM 0 HA SER A 3 7.759 -9.122 22.051 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.499 -8.911 23.635 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.969 -10.571 23.828 1.00 0.00 H new ATOM 0 HG SER A 3 10.837 -10.548 21.899 1.00 0.00 H new ATOM 30 N GLY A 4 9.040 -7.949 20.305 1.00 0.00 N ATOM 31 CA GLY A 4 9.760 -7.258 19.252 1.00 0.00 C ATOM 32 C GLY A 4 9.235 -5.856 19.014 1.00 0.00 C ATOM 33 O GLY A 4 9.071 -5.079 19.955 1.00 0.00 O ATOM 0 H GLY A 4 8.217 -7.458 20.655 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.817 -7.207 19.512 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.686 -7.832 18.328 1.00 0.00 H new ATOM 37 N SER A 5 8.973 -5.530 17.752 1.00 0.00 N ATOM 38 CA SER A 5 8.469 -4.210 17.393 1.00 0.00 C ATOM 39 C SER A 5 8.109 -4.151 15.911 1.00 0.00 C ATOM 40 O SER A 5 8.985 -4.177 15.047 1.00 0.00 O ATOM 41 CB SER A 5 9.509 -3.137 17.720 1.00 0.00 C ATOM 42 OG SER A 5 9.007 -1.840 17.448 1.00 0.00 O ATOM 0 H SER A 5 9.101 -6.162 16.962 1.00 0.00 H new ATOM 0 HA SER A 5 7.568 -4.021 17.976 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.791 -3.208 18.770 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.412 -3.311 17.135 1.00 0.00 H new ATOM 0 HG SER A 5 9.690 -1.172 17.667 1.00 0.00 H new ATOM 48 N SER A 6 6.813 -4.071 15.626 1.00 0.00 N ATOM 49 CA SER A 6 6.336 -4.012 14.249 1.00 0.00 C ATOM 50 C SER A 6 5.879 -2.600 13.893 1.00 0.00 C ATOM 51 O SER A 6 4.725 -2.235 14.116 1.00 0.00 O ATOM 52 CB SER A 6 5.187 -5.000 14.043 1.00 0.00 C ATOM 53 OG SER A 6 5.672 -6.323 13.892 1.00 0.00 O ATOM 0 H SER A 6 6.075 -4.046 16.330 1.00 0.00 H new ATOM 0 HA SER A 6 7.162 -4.284 13.592 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.507 -4.954 14.893 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.614 -4.717 13.160 1.00 0.00 H new ATOM 0 HG SER A 6 4.918 -6.935 13.764 1.00 0.00 H new ATOM 59 N GLY A 7 6.794 -1.811 13.338 1.00 0.00 N ATOM 60 CA GLY A 7 6.466 -0.448 12.960 1.00 0.00 C ATOM 61 C GLY A 7 6.405 -0.263 11.457 1.00 0.00 C ATOM 62 O GLY A 7 6.912 0.724 10.925 1.00 0.00 O ATOM 0 H GLY A 7 7.755 -2.091 13.143 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.505 -0.174 13.396 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.210 0.231 13.377 1.00 0.00 H new ATOM 66 N ALA A 8 5.783 -1.216 10.770 1.00 0.00 N ATOM 67 CA ALA A 8 5.657 -1.153 9.319 1.00 0.00 C ATOM 68 C ALA A 8 4.565 -2.094 8.821 1.00 0.00 C ATOM 69 O ALA A 8 3.980 -2.849 9.598 1.00 0.00 O ATOM 70 CB ALA A 8 6.986 -1.488 8.658 1.00 0.00 C ATOM 0 H ALA A 8 5.359 -2.040 11.195 1.00 0.00 H new ATOM 0 HA ALA A 8 5.375 -0.135 9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.877 -1.437 7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.743 -0.773 8.980 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.292 -2.494 8.945 1.00 0.00 H new ATOM 76 N THR A 9 4.293 -2.043 7.521 1.00 0.00 N ATOM 77 CA THR A 9 3.270 -2.889 6.920 1.00 0.00 C ATOM 78 C THR A 9 3.596 -3.195 5.463 1.00 0.00 C ATOM 79 O THR A 9 3.684 -2.291 4.633 1.00 0.00 O ATOM 80 CB THR A 9 1.880 -2.229 6.995 1.00 0.00 C ATOM 81 OG1 THR A 9 1.469 -2.106 8.362 1.00 0.00 O ATOM 82 CG2 THR A 9 0.852 -3.042 6.223 1.00 0.00 C ATOM 0 H THR A 9 4.768 -1.424 6.864 1.00 0.00 H new ATOM 0 HA THR A 9 3.254 -3.818 7.489 1.00 0.00 H new ATOM 0 HB THR A 9 1.948 -1.238 6.546 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.585 -1.684 8.401 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.121 -2.556 6.291 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.152 -3.109 5.177 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.788 -4.044 6.647 1.00 0.00 H new ATOM 90 N SER A 10 3.773 -4.477 5.158 1.00 0.00 N ATOM 91 CA SER A 10 4.093 -4.903 3.801 1.00 0.00 C ATOM 92 C SER A 10 2.827 -5.035 2.960 1.00 0.00 C ATOM 93 O SER A 10 1.840 -5.630 3.394 1.00 0.00 O ATOM 94 CB SER A 10 4.844 -6.236 3.825 1.00 0.00 C ATOM 95 OG SER A 10 6.244 -6.031 3.899 1.00 0.00 O ATOM 0 H SER A 10 3.700 -5.238 5.833 1.00 0.00 H new ATOM 0 HA SER A 10 4.731 -4.143 3.350 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.514 -6.827 4.679 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.604 -6.808 2.929 1.00 0.00 H new ATOM 0 HG SER A 10 6.589 -5.807 3.010 1.00 0.00 H new ATOM 101 N TYR A 11 2.862 -4.475 1.756 1.00 0.00 N ATOM 102 CA TYR A 11 1.717 -4.527 0.855 1.00 0.00 C ATOM 103 C TYR A 11 2.031 -5.372 -0.376 1.00 0.00 C ATOM 104 O TYR A 11 3.195 -5.614 -0.696 1.00 0.00 O ATOM 105 CB TYR A 11 1.313 -3.115 0.429 1.00 0.00 C ATOM 106 CG TYR A 11 0.859 -2.242 1.577 1.00 0.00 C ATOM 107 CD1 TYR A 11 1.726 -1.913 2.611 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.438 -1.746 1.627 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.315 -1.117 3.662 1.00 0.00 C ATOM 110 CE2 TYR A 11 -0.858 -0.948 2.674 1.00 0.00 C ATOM 111 CZ TYR A 11 0.023 -0.637 3.689 1.00 0.00 C ATOM 112 OH TYR A 11 -0.390 0.158 4.734 1.00 0.00 O ATOM 0 H TYR A 11 3.671 -3.980 1.381 1.00 0.00 H new ATOM 0 HA TYR A 11 0.887 -4.990 1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.159 -2.638 -0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.510 -3.182 -0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.739 -2.286 2.593 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.130 -1.988 0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.002 -0.872 4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.869 -0.570 2.698 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.327 0.413 4.601 1.00 0.00 H new ATOM 122 N MET A 12 0.984 -5.817 -1.063 1.00 0.00 N ATOM 123 CA MET A 12 1.147 -6.633 -2.260 1.00 0.00 C ATOM 124 C MET A 12 0.886 -5.811 -3.518 1.00 0.00 C ATOM 125 O MET A 12 -0.228 -5.339 -3.744 1.00 0.00 O ATOM 126 CB MET A 12 0.200 -7.835 -2.217 1.00 0.00 C ATOM 127 CG MET A 12 0.748 -9.065 -2.921 1.00 0.00 C ATOM 128 SD MET A 12 0.425 -9.051 -4.695 1.00 0.00 S ATOM 129 CE MET A 12 1.619 -10.258 -5.266 1.00 0.00 C ATOM 0 H MET A 12 0.014 -5.626 -0.811 1.00 0.00 H new ATOM 0 HA MET A 12 2.176 -6.991 -2.288 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.010 -8.085 -1.177 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.749 -7.556 -2.676 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.823 -9.127 -2.752 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.304 -9.958 -2.482 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.353 -10.586 -6.271 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.612 -9.808 -5.282 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.620 -11.115 -4.593 1.00 0.00 H new ATOM 139 N THR A 13 1.922 -5.643 -4.335 1.00 0.00 N ATOM 140 CA THR A 13 1.805 -4.877 -5.569 1.00 0.00 C ATOM 141 C THR A 13 1.029 -5.653 -6.627 1.00 0.00 C ATOM 142 O THR A 13 1.341 -6.810 -6.915 1.00 0.00 O ATOM 143 CB THR A 13 3.190 -4.506 -6.133 1.00 0.00 C ATOM 144 OG1 THR A 13 3.829 -5.670 -6.668 1.00 0.00 O ATOM 145 CG2 THR A 13 4.067 -3.890 -5.053 1.00 0.00 C ATOM 0 H THR A 13 2.851 -6.027 -4.164 1.00 0.00 H new ATOM 0 HA THR A 13 1.264 -3.963 -5.324 1.00 0.00 H new ATOM 0 HB THR A 13 3.050 -3.772 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.303 -5.433 -7.493 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.040 -3.636 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.591 -2.987 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.199 -4.604 -4.240 1.00 0.00 H new ATOM 153 N CYS A 14 0.020 -5.011 -7.203 1.00 0.00 N ATOM 154 CA CYS A 14 -0.801 -5.642 -8.231 1.00 0.00 C ATOM 155 C CYS A 14 -0.501 -5.053 -9.605 1.00 0.00 C ATOM 156 O CYS A 14 -0.848 -5.637 -10.631 1.00 0.00 O ATOM 157 CB CYS A 14 -2.285 -5.473 -7.903 1.00 0.00 C ATOM 158 SG CYS A 14 -2.859 -3.758 -7.942 1.00 0.00 S ATOM 0 H CYS A 14 -0.250 -4.054 -6.976 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.560 -6.705 -8.251 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.872 -6.057 -8.612 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.477 -5.887 -6.913 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.028 -3.007 -7.282 1.00 0.00 H new ATOM 164 N SER A 15 0.145 -3.891 -9.616 1.00 0.00 N ATOM 165 CA SER A 15 0.487 -3.219 -10.864 1.00 0.00 C ATOM 166 C SER A 15 1.959 -2.819 -10.881 1.00 0.00 C ATOM 167 O SER A 15 2.578 -2.648 -9.831 1.00 0.00 O ATOM 168 CB SER A 15 -0.391 -1.981 -11.059 1.00 0.00 C ATOM 169 OG SER A 15 -0.292 -1.106 -9.948 1.00 0.00 O ATOM 0 H SER A 15 0.442 -3.396 -8.775 1.00 0.00 H new ATOM 0 HA SER A 15 0.308 -3.916 -11.683 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.090 -1.457 -11.966 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.429 -2.285 -11.195 1.00 0.00 H new ATOM 0 HG SER A 15 -0.150 -0.190 -10.265 1.00 0.00 H new ATOM 175 N ALA A 16 2.513 -2.674 -12.080 1.00 0.00 N ATOM 176 CA ALA A 16 3.912 -2.294 -12.234 1.00 0.00 C ATOM 177 C ALA A 16 4.075 -0.778 -12.198 1.00 0.00 C ATOM 178 O ALA A 16 3.609 -0.072 -13.093 1.00 0.00 O ATOM 179 CB ALA A 16 4.471 -2.856 -13.533 1.00 0.00 C ATOM 0 H ALA A 16 2.015 -2.814 -12.959 1.00 0.00 H new ATOM 0 HA ALA A 16 4.472 -2.714 -11.398 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.516 -2.565 -13.635 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.397 -3.943 -13.521 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.901 -2.463 -14.375 1.00 0.00 H new ATOM 185 N TYR A 17 4.739 -0.284 -11.159 1.00 0.00 N ATOM 186 CA TYR A 17 4.962 1.149 -11.005 1.00 0.00 C ATOM 187 C TYR A 17 6.319 1.553 -11.571 1.00 0.00 C ATOM 188 O TYR A 17 7.264 0.764 -11.570 1.00 0.00 O ATOM 189 CB TYR A 17 4.873 1.544 -9.530 1.00 0.00 C ATOM 190 CG TYR A 17 5.519 2.876 -9.221 1.00 0.00 C ATOM 191 CD1 TYR A 17 6.890 2.974 -9.016 1.00 0.00 C ATOM 192 CD2 TYR A 17 4.759 4.036 -9.134 1.00 0.00 C ATOM 193 CE1 TYR A 17 7.484 4.189 -8.732 1.00 0.00 C ATOM 194 CE2 TYR A 17 5.345 5.254 -8.851 1.00 0.00 C ATOM 195 CZ TYR A 17 6.707 5.326 -8.651 1.00 0.00 C ATOM 196 OH TYR A 17 7.296 6.538 -8.370 1.00 0.00 O ATOM 0 H TYR A 17 5.132 -0.855 -10.411 1.00 0.00 H new ATOM 0 HA TYR A 17 4.186 1.674 -11.562 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.824 1.581 -9.235 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.347 0.771 -8.926 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.501 2.086 -9.080 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.692 3.984 -9.290 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.551 4.248 -8.574 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.739 6.146 -8.787 1.00 0.00 H new ATOM 0 HH TYR A 17 6.605 7.230 -8.302 1.00 0.00 H new ATOM 206 N GLN A 18 6.408 2.789 -12.054 1.00 0.00 N ATOM 207 CA GLN A 18 7.649 3.299 -12.623 1.00 0.00 C ATOM 208 C GLN A 18 8.246 4.389 -11.739 1.00 0.00 C ATOM 209 O GLN A 18 7.520 5.178 -11.133 1.00 0.00 O ATOM 210 CB GLN A 18 7.403 3.845 -14.031 1.00 0.00 C ATOM 211 CG GLN A 18 6.662 5.172 -14.048 1.00 0.00 C ATOM 212 CD GLN A 18 6.657 5.820 -15.418 1.00 0.00 C ATOM 213 OE1 GLN A 18 5.651 5.790 -16.128 1.00 0.00 O ATOM 214 NE2 GLN A 18 7.784 6.411 -15.799 1.00 0.00 N ATOM 0 H GLN A 18 5.635 3.455 -12.062 1.00 0.00 H new ATOM 0 HA GLN A 18 8.359 2.474 -12.680 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.361 3.967 -14.537 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.832 3.112 -14.601 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.634 5.014 -13.721 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.124 5.851 -13.331 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.594 6.412 -15.179 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.839 6.864 -16.711 1.00 0.00 H new ATOM 223 N LYS A 19 9.572 4.428 -11.670 1.00 0.00 N ATOM 224 CA LYS A 19 10.268 5.422 -10.861 1.00 0.00 C ATOM 225 C LYS A 19 10.365 6.753 -11.600 1.00 0.00 C ATOM 226 O LYS A 19 10.793 6.805 -12.753 1.00 0.00 O ATOM 227 CB LYS A 19 11.669 4.925 -10.499 1.00 0.00 C ATOM 228 CG LYS A 19 12.510 4.543 -11.705 1.00 0.00 C ATOM 229 CD LYS A 19 13.921 4.153 -11.299 1.00 0.00 C ATOM 230 CE LYS A 19 14.811 5.376 -11.136 1.00 0.00 C ATOM 231 NZ LYS A 19 16.256 5.025 -11.217 1.00 0.00 N ATOM 0 H LYS A 19 10.187 3.782 -12.165 1.00 0.00 H new ATOM 0 HA LYS A 19 9.696 5.575 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.187 5.702 -9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.580 4.061 -9.840 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.039 3.712 -12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.549 5.380 -12.402 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.891 3.596 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.347 3.489 -12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.571 6.106 -11.909 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.605 5.849 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.829 5.885 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.492 4.348 -10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.458 4.596 -12.143 1.00 0.00 H new ATOM 245 N VAL A 20 9.965 7.828 -10.928 1.00 0.00 N ATOM 246 CA VAL A 20 10.010 9.160 -11.519 1.00 0.00 C ATOM 247 C VAL A 20 11.372 9.811 -11.306 1.00 0.00 C ATOM 248 O VAL A 20 11.769 10.702 -12.056 1.00 0.00 O ATOM 249 CB VAL A 20 8.919 10.073 -10.929 1.00 0.00 C ATOM 250 CG1 VAL A 20 9.125 10.254 -9.433 1.00 0.00 C ATOM 251 CG2 VAL A 20 8.907 11.418 -11.641 1.00 0.00 C ATOM 0 H VAL A 20 9.606 7.802 -9.974 1.00 0.00 H new ATOM 0 HA VAL A 20 9.833 9.038 -12.587 1.00 0.00 H new ATOM 0 HB VAL A 20 7.950 9.598 -11.083 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.345 10.902 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.078 9.283 -8.939 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.100 10.707 -9.252 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.130 12.050 -11.211 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.876 11.902 -11.521 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.706 11.266 -12.702 1.00 0.00 H new ATOM 261 N GLN A 21 12.083 9.359 -10.278 1.00 0.00 N ATOM 262 CA GLN A 21 13.401 9.898 -9.966 1.00 0.00 C ATOM 263 C GLN A 21 14.319 8.810 -9.418 1.00 0.00 C ATOM 264 O GLN A 21 13.871 7.706 -9.106 1.00 0.00 O ATOM 265 CB GLN A 21 13.282 11.039 -8.954 1.00 0.00 C ATOM 266 CG GLN A 21 12.424 12.197 -9.439 1.00 0.00 C ATOM 267 CD GLN A 21 13.130 13.052 -10.473 1.00 0.00 C ATOM 268 OE1 GLN A 21 12.672 13.176 -11.610 1.00 0.00 O ATOM 269 NE2 GLN A 21 14.250 13.649 -10.083 1.00 0.00 N ATOM 0 H GLN A 21 11.769 8.621 -9.648 1.00 0.00 H new ATOM 0 HA GLN A 21 13.836 10.283 -10.888 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.861 10.649 -8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 21 14.279 11.410 -8.719 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.500 11.806 -9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.145 12.819 -8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.593 13.518 -9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.768 14.238 -10.735 1.00 0.00 H new ATOM 278 N ASP A 22 15.603 9.129 -9.303 1.00 0.00 N ATOM 279 CA ASP A 22 16.584 8.178 -8.792 1.00 0.00 C ATOM 280 C ASP A 22 16.152 7.628 -7.436 1.00 0.00 C ATOM 281 O ASP A 22 16.324 6.442 -7.153 1.00 0.00 O ATOM 282 CB ASP A 22 17.956 8.844 -8.673 1.00 0.00 C ATOM 283 CG ASP A 22 17.964 9.977 -7.666 1.00 0.00 C ATOM 284 OD1 ASP A 22 17.050 10.826 -7.722 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.885 10.016 -6.823 1.00 0.00 O ATOM 0 H ASP A 22 15.989 10.038 -9.556 1.00 0.00 H new ATOM 0 HA ASP A 22 16.651 7.348 -9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.695 8.098 -8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.257 9.227 -9.648 1.00 0.00 H new ATOM 290 N SER A 23 15.591 8.497 -6.602 1.00 0.00 N ATOM 291 CA SER A 23 15.139 8.099 -5.274 1.00 0.00 C ATOM 292 C SER A 23 14.078 7.007 -5.366 1.00 0.00 C ATOM 293 O SER A 23 14.140 6.006 -4.653 1.00 0.00 O ATOM 294 CB SER A 23 14.579 9.307 -4.519 1.00 0.00 C ATOM 295 OG SER A 23 15.597 10.254 -4.247 1.00 0.00 O ATOM 0 H SER A 23 15.438 9.481 -6.822 1.00 0.00 H new ATOM 0 HA SER A 23 15.996 7.704 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.791 9.775 -5.109 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.125 8.977 -3.584 1.00 0.00 H new ATOM 0 HG SER A 23 15.214 11.017 -3.766 1.00 0.00 H new ATOM 301 N GLU A 24 13.106 7.208 -6.250 1.00 0.00 N ATOM 302 CA GLU A 24 12.031 6.240 -6.435 1.00 0.00 C ATOM 303 C GLU A 24 12.545 4.980 -7.125 1.00 0.00 C ATOM 304 O GLU A 24 13.626 4.980 -7.715 1.00 0.00 O ATOM 305 CB GLU A 24 10.895 6.857 -7.255 1.00 0.00 C ATOM 306 CG GLU A 24 10.096 7.904 -6.498 1.00 0.00 C ATOM 307 CD GLU A 24 10.920 9.128 -6.151 1.00 0.00 C ATOM 308 OE1 GLU A 24 10.971 10.064 -6.976 1.00 0.00 O ATOM 309 OE2 GLU A 24 11.515 9.150 -5.053 1.00 0.00 O ATOM 0 H GLU A 24 13.041 8.031 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 24 11.652 5.965 -5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.312 7.311 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.222 6.064 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.239 8.206 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.703 7.463 -5.582 1.00 0.00 H new ATOM 316 N ILE A 25 11.764 3.908 -7.046 1.00 0.00 N ATOM 317 CA ILE A 25 12.140 2.642 -7.662 1.00 0.00 C ATOM 318 C ILE A 25 10.926 1.942 -8.263 1.00 0.00 C ATOM 319 O ILE A 25 9.848 1.928 -7.670 1.00 0.00 O ATOM 320 CB ILE A 25 12.812 1.699 -6.647 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.692 0.246 -7.110 1.00 0.00 C ATOM 322 CG2 ILE A 25 12.192 1.875 -5.269 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.376 -0.400 -6.737 1.00 0.00 C ATOM 0 H ILE A 25 10.867 3.891 -6.561 1.00 0.00 H new ATOM 0 HA ILE A 25 12.851 2.875 -8.454 1.00 0.00 H new ATOM 0 HB ILE A 25 13.870 1.953 -6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.813 0.207 -8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.508 -0.333 -6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.678 1.202 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.326 2.905 -4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.128 1.645 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.361 -1.429 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.262 -0.393 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.556 0.156 -7.192 1.00 0.00 H new ATOM 335 N SER A 26 11.110 1.359 -9.444 1.00 0.00 N ATOM 336 CA SER A 26 10.029 0.658 -10.127 1.00 0.00 C ATOM 337 C SER A 26 10.031 -0.825 -9.766 1.00 0.00 C ATOM 338 O SER A 26 11.078 -1.472 -9.757 1.00 0.00 O ATOM 339 CB SER A 26 10.161 0.826 -11.642 1.00 0.00 C ATOM 340 OG SER A 26 11.382 0.281 -12.111 1.00 0.00 O ATOM 0 H SER A 26 11.997 1.358 -9.947 1.00 0.00 H new ATOM 0 HA SER A 26 9.084 1.093 -9.802 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.325 0.335 -12.140 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.108 1.884 -11.900 1.00 0.00 H new ATOM 0 HG SER A 26 11.442 0.399 -13.082 1.00 0.00 H new ATOM 346 N PHE A 27 8.850 -1.357 -9.470 1.00 0.00 N ATOM 347 CA PHE A 27 8.713 -2.762 -9.108 1.00 0.00 C ATOM 348 C PHE A 27 7.654 -3.445 -9.967 1.00 0.00 C ATOM 349 O PHE A 27 6.686 -2.828 -10.412 1.00 0.00 O ATOM 350 CB PHE A 27 8.350 -2.897 -7.627 1.00 0.00 C ATOM 351 CG PHE A 27 7.294 -1.926 -7.179 1.00 0.00 C ATOM 352 CD1 PHE A 27 5.951 -2.253 -7.269 1.00 0.00 C ATOM 353 CD2 PHE A 27 7.646 -0.687 -6.668 1.00 0.00 C ATOM 354 CE1 PHE A 27 4.977 -1.363 -6.857 1.00 0.00 C ATOM 355 CE2 PHE A 27 6.677 0.207 -6.254 1.00 0.00 C ATOM 356 CZ PHE A 27 5.341 -0.131 -6.350 1.00 0.00 C ATOM 0 H PHE A 27 7.973 -0.835 -9.474 1.00 0.00 H new ATOM 0 HA PHE A 27 9.671 -3.251 -9.286 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.003 -3.913 -7.437 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.247 -2.749 -7.026 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.661 -3.215 -7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.689 -0.417 -6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.933 -1.631 -6.931 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.964 1.169 -5.856 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.582 0.567 -6.029 1.00 0.00 H new ATOM 366 N PRO A 28 7.840 -4.752 -10.208 1.00 0.00 N ATOM 367 CA PRO A 28 6.911 -5.548 -11.016 1.00 0.00 C ATOM 368 C PRO A 28 5.574 -5.767 -10.315 1.00 0.00 C ATOM 369 O PRO A 28 5.430 -5.476 -9.128 1.00 0.00 O ATOM 370 CB PRO A 28 7.646 -6.879 -11.193 1.00 0.00 C ATOM 371 CG PRO A 28 8.561 -6.965 -10.020 1.00 0.00 C ATOM 372 CD PRO A 28 8.971 -5.552 -9.710 1.00 0.00 C ATOM 0 HA PRO A 28 6.662 -5.055 -11.955 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.949 -7.717 -11.214 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.201 -6.903 -12.131 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.060 -7.422 -9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.430 -7.582 -10.247 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.128 -5.404 -8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.903 -5.285 -10.209 1.00 0.00 H new ATOM 380 N ALA A 29 4.600 -6.283 -11.057 1.00 0.00 N ATOM 381 CA ALA A 29 3.276 -6.543 -10.506 1.00 0.00 C ATOM 382 C ALA A 29 3.154 -7.986 -10.029 1.00 0.00 C ATOM 383 O ALA A 29 2.999 -8.905 -10.833 1.00 0.00 O ATOM 384 CB ALA A 29 2.204 -6.234 -11.540 1.00 0.00 C ATOM 0 H ALA A 29 4.703 -6.529 -12.041 1.00 0.00 H new ATOM 0 HA ALA A 29 3.133 -5.890 -9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.220 -6.433 -11.115 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.269 -5.185 -11.829 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.353 -6.862 -12.418 1.00 0.00 H new ATOM 390 N GLY A 30 3.226 -8.179 -8.715 1.00 0.00 N ATOM 391 CA GLY A 30 3.122 -9.514 -8.155 1.00 0.00 C ATOM 392 C GLY A 30 4.203 -9.798 -7.130 1.00 0.00 C ATOM 393 O GLY A 30 4.585 -10.950 -6.923 1.00 0.00 O ATOM 0 H GLY A 30 3.354 -7.435 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.144 -9.634 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.185 -10.248 -8.958 1.00 0.00 H new ATOM 397 N VAL A 31 4.698 -8.745 -6.488 1.00 0.00 N ATOM 398 CA VAL A 31 5.742 -8.886 -5.480 1.00 0.00 C ATOM 399 C VAL A 31 5.353 -8.185 -4.184 1.00 0.00 C ATOM 400 O VAL A 31 4.521 -7.278 -4.183 1.00 0.00 O ATOM 401 CB VAL A 31 7.084 -8.315 -5.977 1.00 0.00 C ATOM 402 CG1 VAL A 31 7.641 -9.167 -7.107 1.00 0.00 C ATOM 403 CG2 VAL A 31 6.915 -6.870 -6.421 1.00 0.00 C ATOM 0 H VAL A 31 4.393 -7.785 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 31 5.857 -9.953 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 31 7.797 -8.337 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.589 -8.748 -7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.800 -10.185 -6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.934 -9.179 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.872 -6.482 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.187 -6.821 -7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.564 -6.270 -5.581 1.00 0.00 H new ATOM 413 N GLU A 32 5.960 -8.611 -3.081 1.00 0.00 N ATOM 414 CA GLU A 32 5.676 -8.023 -1.777 1.00 0.00 C ATOM 415 C GLU A 32 6.720 -6.970 -1.416 1.00 0.00 C ATOM 416 O GLU A 32 7.911 -7.147 -1.672 1.00 0.00 O ATOM 417 CB GLU A 32 5.638 -9.109 -0.700 1.00 0.00 C ATOM 418 CG GLU A 32 5.239 -8.593 0.672 1.00 0.00 C ATOM 419 CD GLU A 32 4.669 -9.681 1.562 1.00 0.00 C ATOM 420 OE1 GLU A 32 3.735 -10.381 1.118 1.00 0.00 O ATOM 421 OE2 GLU A 32 5.157 -9.831 2.701 1.00 0.00 O ATOM 0 H GLU A 32 6.651 -9.361 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 32 4.700 -7.540 -1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.937 -9.886 -1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.621 -9.575 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.109 -8.151 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.501 -7.799 0.557 1.00 0.00 H new ATOM 428 N VAL A 33 6.264 -5.873 -0.819 1.00 0.00 N ATOM 429 CA VAL A 33 7.157 -4.791 -0.422 1.00 0.00 C ATOM 430 C VAL A 33 6.913 -4.382 1.026 1.00 0.00 C ATOM 431 O VAL A 33 5.956 -4.831 1.655 1.00 0.00 O ATOM 432 CB VAL A 33 6.983 -3.558 -1.329 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.572 -3.821 -2.706 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.514 -3.177 -1.432 1.00 0.00 C ATOM 0 H VAL A 33 5.281 -5.710 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 33 8.175 -5.167 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 33 7.522 -2.721 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.440 -2.939 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.635 -4.042 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.064 -4.670 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.409 -2.304 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.951 -4.009 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.128 -2.944 -0.440 1.00 0.00 H new ATOM 444 N GLN A 34 7.786 -3.526 1.548 1.00 0.00 N ATOM 445 CA GLN A 34 7.666 -3.056 2.923 1.00 0.00 C ATOM 446 C GLN A 34 7.545 -1.536 2.970 1.00 0.00 C ATOM 447 O GLN A 34 8.457 -0.818 2.560 1.00 0.00 O ATOM 448 CB GLN A 34 8.872 -3.509 3.747 1.00 0.00 C ATOM 449 CG GLN A 34 8.651 -3.420 5.248 1.00 0.00 C ATOM 450 CD GLN A 34 9.874 -3.835 6.043 1.00 0.00 C ATOM 451 OE1 GLN A 34 11.000 -3.775 5.549 1.00 0.00 O ATOM 452 NE2 GLN A 34 9.658 -4.258 7.283 1.00 0.00 N ATOM 0 H GLN A 34 8.584 -3.144 1.040 1.00 0.00 H new ATOM 0 HA GLN A 34 6.761 -3.488 3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.115 -4.539 3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.735 -2.899 3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.381 -2.398 5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.809 -4.054 5.526 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.708 -4.291 7.652 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.442 -4.549 7.866 1.00 0.00 H new ATOM 461 N VAL A 35 6.414 -1.052 3.473 1.00 0.00 N ATOM 462 CA VAL A 35 6.175 0.382 3.574 1.00 0.00 C ATOM 463 C VAL A 35 6.817 0.959 4.830 1.00 0.00 C ATOM 464 O VAL A 35 6.294 0.808 5.935 1.00 0.00 O ATOM 465 CB VAL A 35 4.668 0.700 3.590 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.434 2.166 3.922 1.00 0.00 C ATOM 467 CG2 VAL A 35 4.034 0.340 2.255 1.00 0.00 C ATOM 0 H VAL A 35 5.649 -1.632 3.817 1.00 0.00 H new ATOM 0 HA VAL A 35 6.627 0.841 2.694 1.00 0.00 H new ATOM 0 HB VAL A 35 4.196 0.097 4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.364 2.371 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.852 2.388 4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.919 2.791 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.969 0.571 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.509 0.915 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.169 -0.724 2.063 1.00 0.00 H new ATOM 477 N LEU A 36 7.955 1.622 4.655 1.00 0.00 N ATOM 478 CA LEU A 36 8.671 2.224 5.775 1.00 0.00 C ATOM 479 C LEU A 36 7.885 3.394 6.358 1.00 0.00 C ATOM 480 O LEU A 36 7.548 3.399 7.541 1.00 0.00 O ATOM 481 CB LEU A 36 10.055 2.697 5.326 1.00 0.00 C ATOM 482 CG LEU A 36 11.000 1.612 4.810 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.222 2.236 4.155 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.416 0.684 5.942 1.00 0.00 C ATOM 0 H LEU A 36 8.402 1.756 3.748 1.00 0.00 H new ATOM 0 HA LEU A 36 8.787 1.466 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.925 3.441 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.535 3.200 6.166 1.00 0.00 H new ATOM 0 HG LEU A 36 10.471 1.024 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.883 1.448 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.908 2.859 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.752 2.849 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.089 -0.082 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.926 1.259 6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.532 0.209 6.367 1.00 0.00 H new ATOM 496 N GLU A 37 7.595 4.383 5.518 1.00 0.00 N ATOM 497 CA GLU A 37 6.847 5.557 5.950 1.00 0.00 C ATOM 498 C GLU A 37 5.689 5.846 5.000 1.00 0.00 C ATOM 499 O GLU A 37 5.715 5.453 3.833 1.00 0.00 O ATOM 500 CB GLU A 37 7.770 6.775 6.032 1.00 0.00 C ATOM 501 CG GLU A 37 7.222 7.898 6.897 1.00 0.00 C ATOM 502 CD GLU A 37 6.332 8.850 6.122 1.00 0.00 C ATOM 503 OE1 GLU A 37 6.630 9.108 4.937 1.00 0.00 O ATOM 504 OE2 GLU A 37 5.338 9.337 6.699 1.00 0.00 O ATOM 0 H GLU A 37 7.867 4.394 4.535 1.00 0.00 H new ATOM 0 HA GLU A 37 6.439 5.351 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.736 6.462 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.945 7.156 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.657 7.471 7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.052 8.455 7.332 1.00 0.00 H new ATOM 511 N LYS A 38 4.672 6.535 5.507 1.00 0.00 N ATOM 512 CA LYS A 38 3.504 6.877 4.705 1.00 0.00 C ATOM 513 C LYS A 38 3.148 8.352 4.865 1.00 0.00 C ATOM 514 O LYS A 38 2.991 8.844 5.982 1.00 0.00 O ATOM 515 CB LYS A 38 2.311 6.007 5.107 1.00 0.00 C ATOM 516 CG LYS A 38 2.412 4.573 4.619 1.00 0.00 C ATOM 517 CD LYS A 38 1.041 3.930 4.488 1.00 0.00 C ATOM 518 CE LYS A 38 0.599 3.290 5.795 1.00 0.00 C ATOM 519 NZ LYS A 38 -0.035 4.279 6.710 1.00 0.00 N ATOM 0 H LYS A 38 4.634 6.868 6.471 1.00 0.00 H new ATOM 0 HA LYS A 38 3.745 6.691 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.222 6.007 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.398 6.453 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.919 4.551 3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.022 3.994 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.313 4.682 4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.065 3.175 3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.106 2.485 5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.460 2.839 6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.627 3.780 7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.704 4.815 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.626 4.933 6.158 1.00 0.00 H new ATOM 533 N GLN A 39 3.022 9.051 3.741 1.00 0.00 N ATOM 534 CA GLN A 39 2.684 10.469 3.758 1.00 0.00 C ATOM 535 C GLN A 39 1.194 10.676 3.506 1.00 0.00 C ATOM 536 O GLN A 39 0.625 10.095 2.583 1.00 0.00 O ATOM 537 CB GLN A 39 3.501 11.222 2.707 1.00 0.00 C ATOM 538 CG GLN A 39 4.935 11.494 3.131 1.00 0.00 C ATOM 539 CD GLN A 39 5.042 12.622 4.138 1.00 0.00 C ATOM 540 OE1 GLN A 39 4.556 12.514 5.264 1.00 0.00 O ATOM 541 NE2 GLN A 39 5.682 13.715 3.737 1.00 0.00 N ATOM 0 H GLN A 39 3.149 8.658 2.808 1.00 0.00 H new ATOM 0 HA GLN A 39 2.925 10.863 4.745 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.508 10.645 1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.010 12.170 2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.361 10.587 3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.530 11.740 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.070 13.762 2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.786 14.507 4.371 1.00 0.00 H new ATOM 550 N GLU A 40 0.569 11.509 4.333 1.00 0.00 N ATOM 551 CA GLU A 40 -0.855 11.791 4.199 1.00 0.00 C ATOM 552 C GLU A 40 -1.212 12.117 2.752 1.00 0.00 C ATOM 553 O GLU A 40 -2.281 11.747 2.266 1.00 0.00 O ATOM 554 CB GLU A 40 -1.255 12.955 5.109 1.00 0.00 C ATOM 555 CG GLU A 40 -1.149 12.634 6.590 1.00 0.00 C ATOM 556 CD GLU A 40 -1.765 13.708 7.465 1.00 0.00 C ATOM 557 OE1 GLU A 40 -2.994 13.659 7.687 1.00 0.00 O ATOM 558 OE2 GLU A 40 -1.020 14.596 7.928 1.00 0.00 O ATOM 0 H GLU A 40 1.026 11.999 5.102 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.405 10.899 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.622 13.814 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.280 13.247 4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.642 11.682 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.099 12.511 6.857 1.00 0.00 H new ATOM 565 N SER A 41 -0.309 12.812 2.068 1.00 0.00 N ATOM 566 CA SER A 41 -0.529 13.193 0.678 1.00 0.00 C ATOM 567 C SER A 41 -1.046 12.009 -0.134 1.00 0.00 C ATOM 568 O SER A 41 -2.092 12.091 -0.775 1.00 0.00 O ATOM 569 CB SER A 41 0.767 13.722 0.060 1.00 0.00 C ATOM 570 OG SER A 41 1.145 14.955 0.647 1.00 0.00 O ATOM 0 H SER A 41 0.582 13.123 2.454 1.00 0.00 H new ATOM 0 HA SER A 41 -1.281 13.982 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.564 12.991 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.635 13.852 -1.014 1.00 0.00 H new ATOM 0 HG SER A 41 1.977 15.271 0.236 1.00 0.00 H new ATOM 576 N GLY A 42 -0.302 10.907 -0.101 1.00 0.00 N ATOM 577 CA GLY A 42 -0.700 9.721 -0.837 1.00 0.00 C ATOM 578 C GLY A 42 0.472 8.813 -1.151 1.00 0.00 C ATOM 579 O GLY A 42 0.346 7.589 -1.110 1.00 0.00 O ATOM 0 H GLY A 42 0.569 10.815 0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.439 9.168 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.184 10.020 -1.767 1.00 0.00 H new ATOM 583 N TRP A 43 1.614 9.413 -1.468 1.00 0.00 N ATOM 584 CA TRP A 43 2.813 8.649 -1.793 1.00 0.00 C ATOM 585 C TRP A 43 3.425 8.036 -0.538 1.00 0.00 C ATOM 586 O TRP A 43 3.658 8.729 0.452 1.00 0.00 O ATOM 587 CB TRP A 43 3.839 9.544 -2.490 1.00 0.00 C ATOM 588 CG TRP A 43 3.462 9.896 -3.897 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.616 10.892 -4.295 1.00 0.00 C ATOM 590 CD2 TRP A 43 3.916 9.252 -5.093 1.00 0.00 C ATOM 591 NE1 TRP A 43 2.517 10.905 -5.665 1.00 0.00 N ATOM 592 CE2 TRP A 43 3.306 9.910 -6.178 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.781 8.185 -5.352 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.532 9.534 -7.499 1.00 0.00 C ATOM 595 CZ3 TRP A 43 5.004 7.813 -6.664 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.383 8.486 -7.724 1.00 0.00 C ATOM 0 H TRP A 43 1.735 10.425 -1.507 1.00 0.00 H new ATOM 0 HA TRP A 43 2.527 7.841 -2.467 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.961 10.461 -1.914 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.806 9.040 -2.496 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.101 11.570 -3.630 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.948 11.551 -6.212 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.266 7.661 -4.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.053 10.051 -8.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.669 6.989 -6.876 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.580 8.172 -8.738 1.00 0.00 H new ATOM 607 N TRP A 44 3.683 6.734 -0.587 1.00 0.00 N ATOM 608 CA TRP A 44 4.268 6.028 0.547 1.00 0.00 C ATOM 609 C TRP A 44 5.668 5.525 0.212 1.00 0.00 C ATOM 610 O TRP A 44 5.967 5.216 -0.942 1.00 0.00 O ATOM 611 CB TRP A 44 3.377 4.856 0.960 1.00 0.00 C ATOM 612 CG TRP A 44 1.989 5.271 1.343 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.553 6.541 1.594 1.00 0.00 C ATOM 614 CD2 TRP A 44 0.856 4.414 1.521 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.218 6.525 1.917 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.234 5.232 1.879 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.655 3.036 1.411 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.502 4.715 2.127 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.605 2.524 1.659 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.670 3.362 2.013 1.00 0.00 C ATOM 0 H TRP A 44 3.496 6.146 -1.399 1.00 0.00 H new ATOM 0 HA TRP A 44 4.343 6.728 1.379 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.321 4.144 0.137 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.838 4.337 1.800 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.168 7.428 1.546 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.346 7.343 2.148 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.470 2.382 1.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.325 5.359 2.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.771 1.460 1.578 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.643 2.932 2.200 1.00 0.00 H new ATOM 631 N TYR A 45 6.521 5.444 1.227 1.00 0.00 N ATOM 632 CA TYR A 45 7.891 4.980 1.038 1.00 0.00 C ATOM 633 C TYR A 45 7.971 3.461 1.148 1.00 0.00 C ATOM 634 O TYR A 45 7.786 2.894 2.225 1.00 0.00 O ATOM 635 CB TYR A 45 8.817 5.627 2.069 1.00 0.00 C ATOM 636 CG TYR A 45 10.271 5.637 1.655 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.645 6.011 0.370 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.271 5.271 2.547 1.00 0.00 C ATOM 639 CE1 TYR A 45 11.972 6.021 -0.013 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.601 5.279 2.173 1.00 0.00 C ATOM 641 CZ TYR A 45 12.946 5.655 0.892 1.00 0.00 C ATOM 642 OH TYR A 45 14.270 5.663 0.515 1.00 0.00 O ATOM 0 H TYR A 45 6.289 5.693 2.188 1.00 0.00 H new ATOM 0 HA TYR A 45 8.212 5.271 0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.491 6.652 2.245 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.721 5.095 3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.885 6.299 -0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.004 4.975 3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.245 6.314 -1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.366 4.992 2.880 1.00 0.00 H new ATOM 0 HH TYR A 45 14.827 5.380 1.270 1.00 0.00 H new ATOM 652 N VAL A 46 8.250 2.807 0.025 1.00 0.00 N ATOM 653 CA VAL A 46 8.357 1.353 -0.007 1.00 0.00 C ATOM 654 C VAL A 46 9.809 0.912 -0.152 1.00 0.00 C ATOM 655 O VAL A 46 10.688 1.722 -0.450 1.00 0.00 O ATOM 656 CB VAL A 46 7.533 0.754 -1.162 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.072 0.617 -0.760 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.672 1.608 -2.413 1.00 0.00 C ATOM 0 H VAL A 46 8.406 3.261 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 46 7.961 0.986 0.940 1.00 0.00 H new ATOM 0 HB VAL A 46 7.919 -0.241 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.505 0.192 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.993 -0.038 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.670 1.599 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.083 1.171 -3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.312 2.616 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.720 1.650 -2.710 1.00 0.00 H new ATOM 668 N ARG A 47 10.055 -0.377 0.060 1.00 0.00 N ATOM 669 CA ARG A 47 11.401 -0.926 -0.046 1.00 0.00 C ATOM 670 C ARG A 47 11.394 -2.233 -0.833 1.00 0.00 C ATOM 671 O ARG A 47 10.725 -3.195 -0.454 1.00 0.00 O ATOM 672 CB ARG A 47 11.991 -1.159 1.346 1.00 0.00 C ATOM 673 CG ARG A 47 13.348 -1.844 1.325 1.00 0.00 C ATOM 674 CD ARG A 47 14.069 -1.692 2.655 1.00 0.00 C ATOM 675 NE ARG A 47 15.519 -1.786 2.506 1.00 0.00 N ATOM 676 CZ ARG A 47 16.182 -2.936 2.484 1.00 0.00 C ATOM 677 NH1 ARG A 47 15.530 -4.085 2.599 1.00 0.00 N ATOM 678 NH2 ARG A 47 17.502 -2.940 2.344 1.00 0.00 N ATOM 0 H ARG A 47 9.339 -1.061 0.306 1.00 0.00 H new ATOM 0 HA ARG A 47 12.020 -0.204 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.085 -0.201 1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.297 -1.764 1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.219 -2.902 1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.959 -1.420 0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.812 -0.730 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.725 -2.463 3.344 1.00 0.00 H new ATOM 0 HE ARG A 47 16.051 -0.921 2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.516 -4.087 2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.043 -4.966 2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.008 -2.059 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.010 -3.824 2.327 1.00 0.00 H new ATOM 692 N PHE A 48 12.143 -2.261 -1.931 1.00 0.00 N ATOM 693 CA PHE A 48 12.222 -3.450 -2.772 1.00 0.00 C ATOM 694 C PHE A 48 13.627 -4.045 -2.741 1.00 0.00 C ATOM 695 O PHE A 48 14.492 -3.664 -3.529 1.00 0.00 O ATOM 696 CB PHE A 48 11.832 -3.108 -4.212 1.00 0.00 C ATOM 697 CG PHE A 48 11.785 -4.304 -5.119 1.00 0.00 C ATOM 698 CD1 PHE A 48 11.100 -5.448 -4.745 1.00 0.00 C ATOM 699 CD2 PHE A 48 12.426 -4.283 -6.348 1.00 0.00 C ATOM 700 CE1 PHE A 48 11.055 -6.550 -5.578 1.00 0.00 C ATOM 701 CE2 PHE A 48 12.385 -5.382 -7.185 1.00 0.00 C ATOM 702 CZ PHE A 48 11.698 -6.516 -6.800 1.00 0.00 C ATOM 0 H PHE A 48 12.703 -1.474 -2.259 1.00 0.00 H new ATOM 0 HA PHE A 48 11.524 -4.190 -2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.855 -2.624 -4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.545 -2.386 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.595 -5.479 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.963 -3.398 -6.655 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.518 -7.436 -5.274 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.890 -5.354 -8.139 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.663 -7.375 -7.453 1.00 0.00 H new ATOM 712 N GLY A 49 13.846 -4.982 -1.824 1.00 0.00 N ATOM 713 CA GLY A 49 15.147 -5.615 -1.706 1.00 0.00 C ATOM 714 C GLY A 49 16.198 -4.680 -1.141 1.00 0.00 C ATOM 715 O GLY A 49 16.115 -4.271 0.016 1.00 0.00 O ATOM 0 H GLY A 49 13.146 -5.314 -1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.064 -6.493 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.467 -5.966 -2.687 1.00 0.00 H new ATOM 719 N GLU A 50 17.189 -4.342 -1.960 1.00 0.00 N ATOM 720 CA GLU A 50 18.262 -3.451 -1.533 1.00 0.00 C ATOM 721 C GLU A 50 17.952 -2.006 -1.914 1.00 0.00 C ATOM 722 O GLU A 50 18.683 -1.085 -1.546 1.00 0.00 O ATOM 723 CB GLU A 50 19.591 -3.881 -2.158 1.00 0.00 C ATOM 724 CG GLU A 50 20.801 -3.200 -1.541 1.00 0.00 C ATOM 725 CD GLU A 50 21.125 -3.728 -0.157 1.00 0.00 C ATOM 726 OE1 GLU A 50 21.476 -4.921 -0.045 1.00 0.00 O ATOM 727 OE2 GLU A 50 21.028 -2.948 0.813 1.00 0.00 O ATOM 0 H GLU A 50 17.271 -4.671 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 50 18.342 -3.514 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.700 -4.961 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.568 -3.664 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 50 21.664 -3.342 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.619 -2.127 -1.483 1.00 0.00 H new ATOM 734 N LEU A 51 16.864 -1.814 -2.652 1.00 0.00 N ATOM 735 CA LEU A 51 16.457 -0.482 -3.083 1.00 0.00 C ATOM 736 C LEU A 51 15.240 -0.003 -2.297 1.00 0.00 C ATOM 737 O LEU A 51 14.510 -0.806 -1.718 1.00 0.00 O ATOM 738 CB LEU A 51 16.143 -0.483 -4.580 1.00 0.00 C ATOM 739 CG LEU A 51 17.234 -1.043 -5.494 1.00 0.00 C ATOM 740 CD1 LEU A 51 17.258 -2.562 -5.426 1.00 0.00 C ATOM 741 CD2 LEU A 51 17.022 -0.575 -6.927 1.00 0.00 C ATOM 0 H LEU A 51 16.248 -2.565 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 51 17.283 0.203 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.232 -1.060 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.930 0.541 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 51 18.198 -0.668 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.040 -2.943 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.458 -2.877 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.293 -2.956 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.808 -0.983 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.051 -0.920 -7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.055 0.514 -6.963 1.00 0.00 H new ATOM 753 N GLU A 52 15.029 1.309 -2.285 1.00 0.00 N ATOM 754 CA GLU A 52 13.900 1.894 -1.571 1.00 0.00 C ATOM 755 C GLU A 52 13.406 3.155 -2.274 1.00 0.00 C ATOM 756 O GLU A 52 14.167 4.098 -2.488 1.00 0.00 O ATOM 757 CB GLU A 52 14.293 2.220 -0.129 1.00 0.00 C ATOM 758 CG GLU A 52 14.703 1.002 0.681 1.00 0.00 C ATOM 759 CD GLU A 52 15.609 1.354 1.845 1.00 0.00 C ATOM 760 OE1 GLU A 52 16.460 2.253 1.683 1.00 0.00 O ATOM 761 OE2 GLU A 52 15.468 0.729 2.917 1.00 0.00 O ATOM 0 H GLU A 52 15.624 1.987 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 52 13.091 1.164 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 52 15.117 2.934 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.454 2.709 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.810 0.504 1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.213 0.292 0.030 1.00 0.00 H new ATOM 768 N GLY A 53 12.125 3.164 -2.632 1.00 0.00 N ATOM 769 CA GLY A 53 11.552 4.313 -3.307 1.00 0.00 C ATOM 770 C GLY A 53 10.161 4.647 -2.804 1.00 0.00 C ATOM 771 O GLY A 53 9.593 3.911 -1.996 1.00 0.00 O ATOM 0 H GLY A 53 11.475 2.396 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.203 5.176 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.510 4.118 -4.379 1.00 0.00 H new ATOM 775 N TRP A 54 9.612 5.758 -3.280 1.00 0.00 N ATOM 776 CA TRP A 54 8.280 6.188 -2.872 1.00 0.00 C ATOM 777 C TRP A 54 7.231 5.750 -3.889 1.00 0.00 C ATOM 778 O TRP A 54 7.216 6.228 -5.023 1.00 0.00 O ATOM 779 CB TRP A 54 8.241 7.708 -2.704 1.00 0.00 C ATOM 780 CG TRP A 54 9.060 8.199 -1.548 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.408 8.418 -1.533 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.583 8.529 -0.239 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.798 8.864 -0.293 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.697 8.942 0.518 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.324 8.518 0.367 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.587 9.338 1.848 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.216 8.911 1.687 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.342 9.318 2.416 1.00 0.00 C ATOM 0 H TRP A 54 10.069 6.378 -3.949 1.00 0.00 H new ATOM 0 HA TRP A 54 8.051 5.718 -1.916 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.600 8.177 -3.620 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.207 8.025 -2.568 1.00 0.00 H new ATOM 0 HD1 TRP A 54 11.070 8.263 -2.372 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.753 9.099 -0.021 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.450 8.208 -0.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.454 9.650 2.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.248 8.905 2.165 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.225 9.622 3.446 1.00 0.00 H new ATOM 799 N ALA A 55 6.356 4.839 -3.475 1.00 0.00 N ATOM 800 CA ALA A 55 5.303 4.339 -4.350 1.00 0.00 C ATOM 801 C ALA A 55 3.923 4.698 -3.808 1.00 0.00 C ATOM 802 O ALA A 55 3.694 4.730 -2.599 1.00 0.00 O ATOM 803 CB ALA A 55 5.430 2.833 -4.521 1.00 0.00 C ATOM 0 H ALA A 55 6.356 4.433 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 55 5.417 4.815 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.637 2.473 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.399 2.597 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.345 2.348 -3.549 1.00 0.00 H new ATOM 809 N PRO A 56 2.982 4.975 -4.722 1.00 0.00 N ATOM 810 CA PRO A 56 1.608 5.337 -4.359 1.00 0.00 C ATOM 811 C PRO A 56 0.834 4.160 -3.775 1.00 0.00 C ATOM 812 O PRO A 56 1.034 3.013 -4.175 1.00 0.00 O ATOM 813 CB PRO A 56 0.993 5.774 -5.691 1.00 0.00 C ATOM 814 CG PRO A 56 1.789 5.060 -6.729 1.00 0.00 C ATOM 815 CD PRO A 56 3.185 4.956 -6.181 1.00 0.00 C ATOM 0 HA PRO A 56 1.579 6.107 -3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.062 5.505 -5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.054 6.855 -5.819 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.373 4.072 -6.929 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.780 5.606 -7.672 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.677 4.039 -6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.809 5.787 -6.511 1.00 0.00 H new ATOM 823 N SER A 57 -0.051 4.452 -2.828 1.00 0.00 N ATOM 824 CA SER A 57 -0.854 3.417 -2.187 1.00 0.00 C ATOM 825 C SER A 57 -1.923 2.891 -3.139 1.00 0.00 C ATOM 826 O SER A 57 -2.574 1.882 -2.864 1.00 0.00 O ATOM 827 CB SER A 57 -1.509 3.964 -0.917 1.00 0.00 C ATOM 828 OG SER A 57 -2.591 4.824 -1.231 1.00 0.00 O ATOM 0 H SER A 57 -0.230 5.397 -2.487 1.00 0.00 H new ATOM 0 HA SER A 57 -0.193 2.592 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.864 3.137 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.770 4.505 -0.327 1.00 0.00 H new ATOM 0 HG SER A 57 -2.994 5.159 -0.403 1.00 0.00 H new ATOM 834 N HIS A 58 -2.100 3.583 -4.260 1.00 0.00 N ATOM 835 CA HIS A 58 -3.091 3.186 -5.254 1.00 0.00 C ATOM 836 C HIS A 58 -2.650 1.922 -5.986 1.00 0.00 C ATOM 837 O HIS A 58 -3.480 1.131 -6.435 1.00 0.00 O ATOM 838 CB HIS A 58 -3.318 4.317 -6.258 1.00 0.00 C ATOM 839 CG HIS A 58 -3.391 5.673 -5.626 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.525 6.698 -5.941 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.236 6.170 -4.693 1.00 0.00 C ATOM 842 CE1 HIS A 58 -2.832 7.766 -5.228 1.00 0.00 C ATOM 843 NE2 HIS A 58 -3.868 7.473 -4.463 1.00 0.00 N ATOM 0 H HIS A 58 -1.571 4.421 -4.503 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.026 2.977 -4.735 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.511 4.309 -6.990 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.243 4.128 -6.802 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.049 5.640 -4.218 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.322 8.718 -5.264 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -4.321 8.111 -3.808 1.00 0.00 H new ATOM 852 N TYR A 59 -1.340 1.739 -6.103 1.00 0.00 N ATOM 853 CA TYR A 59 -0.789 0.573 -6.784 1.00 0.00 C ATOM 854 C TYR A 59 -0.650 -0.604 -5.822 1.00 0.00 C ATOM 855 O TYR A 59 -0.708 -1.765 -6.230 1.00 0.00 O ATOM 856 CB TYR A 59 0.572 0.909 -7.396 1.00 0.00 C ATOM 857 CG TYR A 59 0.485 1.807 -8.609 1.00 0.00 C ATOM 858 CD1 TYR A 59 -0.147 3.043 -8.538 1.00 0.00 C ATOM 859 CD2 TYR A 59 1.034 1.421 -9.825 1.00 0.00 C ATOM 860 CE1 TYR A 59 -0.229 3.867 -9.644 1.00 0.00 C ATOM 861 CE2 TYR A 59 0.958 2.239 -10.935 1.00 0.00 C ATOM 862 CZ TYR A 59 0.325 3.461 -10.840 1.00 0.00 C ATOM 863 OH TYR A 59 0.245 4.278 -11.944 1.00 0.00 O ATOM 0 H TYR A 59 -0.640 2.383 -5.735 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.478 0.290 -7.580 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.191 1.392 -6.640 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.074 -0.017 -7.675 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.581 3.365 -7.603 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.529 0.464 -9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.724 4.824 -9.572 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.392 1.924 -11.872 1.00 0.00 H new ATOM 0 HH TYR A 59 0.686 3.844 -12.704 1.00 0.00 H new ATOM 873 N LEU A 60 -0.466 -0.295 -4.543 1.00 0.00 N ATOM 874 CA LEU A 60 -0.320 -1.326 -3.521 1.00 0.00 C ATOM 875 C LEU A 60 -1.678 -1.892 -3.120 1.00 0.00 C ATOM 876 O LEU A 60 -2.663 -1.160 -3.022 1.00 0.00 O ATOM 877 CB LEU A 60 0.391 -0.755 -2.292 1.00 0.00 C ATOM 878 CG LEU A 60 1.813 -0.241 -2.517 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.285 0.565 -1.318 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.762 -1.400 -2.790 1.00 0.00 C ATOM 0 H LEU A 60 -0.414 0.660 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 60 0.280 -2.135 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.211 0.063 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.423 -1.528 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 60 1.809 0.413 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.299 0.923 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.621 1.416 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.274 -0.065 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.770 -1.016 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.762 -2.079 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.435 -1.936 -3.681 1.00 0.00 H new ATOM 892 N VAL A 61 -1.722 -3.200 -2.886 1.00 0.00 N ATOM 893 CA VAL A 61 -2.959 -3.865 -2.492 1.00 0.00 C ATOM 894 C VAL A 61 -3.033 -4.035 -0.979 1.00 0.00 C ATOM 895 O VAL A 61 -2.150 -4.637 -0.367 1.00 0.00 O ATOM 896 CB VAL A 61 -3.091 -5.246 -3.161 1.00 0.00 C ATOM 897 CG1 VAL A 61 -4.365 -5.940 -2.705 1.00 0.00 C ATOM 898 CG2 VAL A 61 -3.061 -5.110 -4.675 1.00 0.00 C ATOM 0 H VAL A 61 -0.916 -3.820 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.780 -3.230 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.243 -5.860 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.441 -6.914 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.340 -6.072 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.228 -5.332 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.155 -6.096 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.888 -4.479 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.118 -4.658 -4.981 1.00 0.00 H new ATOM 908 N LEU A 62 -4.093 -3.502 -0.381 1.00 0.00 N ATOM 909 CA LEU A 62 -4.284 -3.595 1.062 1.00 0.00 C ATOM 910 C LEU A 62 -5.685 -4.099 1.395 1.00 0.00 C ATOM 911 O LEU A 62 -6.659 -3.350 1.315 1.00 0.00 O ATOM 912 CB LEU A 62 -4.051 -2.232 1.716 1.00 0.00 C ATOM 913 CG LEU A 62 -4.484 -1.013 0.901 1.00 0.00 C ATOM 914 CD1 LEU A 62 -4.829 0.149 1.820 1.00 0.00 C ATOM 915 CD2 LEU A 62 -3.393 -0.613 -0.081 1.00 0.00 C ATOM 0 H LEU A 62 -4.833 -3.001 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.559 -4.308 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.580 -2.213 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.989 -2.136 1.940 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.376 -1.278 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.135 1.007 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.645 -0.141 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.955 0.414 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.719 0.256 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.483 -0.367 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.195 -1.441 -0.762 1.00 0.00 H new ATOM 927 N ASP A 63 -5.777 -5.370 1.769 1.00 0.00 N ATOM 928 CA ASP A 63 -7.059 -5.973 2.117 1.00 0.00 C ATOM 929 C ASP A 63 -8.159 -5.491 1.177 1.00 0.00 C ATOM 930 O ASP A 63 -9.332 -5.452 1.548 1.00 0.00 O ATOM 931 CB ASP A 63 -7.426 -5.641 3.564 1.00 0.00 C ATOM 932 CG ASP A 63 -8.357 -6.670 4.176 1.00 0.00 C ATOM 933 OD1 ASP A 63 -7.950 -7.846 4.290 1.00 0.00 O ATOM 934 OD2 ASP A 63 -9.492 -6.300 4.541 1.00 0.00 O ATOM 0 H ASP A 63 -4.980 -6.003 1.839 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.965 -7.054 2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.516 -5.578 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.900 -4.660 3.600 1.00 0.00 H new ATOM 939 N GLU A 64 -7.772 -5.125 -0.041 1.00 0.00 N ATOM 940 CA GLU A 64 -8.726 -4.644 -1.033 1.00 0.00 C ATOM 941 C GLU A 64 -8.731 -5.545 -2.265 1.00 0.00 C ATOM 942 O GLU A 64 -7.917 -5.377 -3.172 1.00 0.00 O ATOM 943 CB GLU A 64 -8.393 -3.207 -1.440 1.00 0.00 C ATOM 944 CG GLU A 64 -9.225 -2.695 -2.603 1.00 0.00 C ATOM 945 CD GLU A 64 -10.561 -2.130 -2.161 1.00 0.00 C ATOM 946 OE1 GLU A 64 -10.572 -1.286 -1.240 1.00 0.00 O ATOM 947 OE2 GLU A 64 -11.595 -2.532 -2.734 1.00 0.00 O ATOM 0 H GLU A 64 -6.805 -5.152 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.719 -4.666 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.542 -2.552 -0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.338 -3.149 -1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.666 -1.924 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.394 -3.508 -3.309 1.00 0.00 H new ATOM 954 N ASN A 65 -9.653 -6.502 -2.288 1.00 0.00 N ATOM 955 CA ASN A 65 -9.763 -7.430 -3.407 1.00 0.00 C ATOM 956 C ASN A 65 -8.608 -8.426 -3.403 1.00 0.00 C ATOM 957 O ASN A 65 -7.976 -8.663 -4.433 1.00 0.00 O ATOM 958 CB ASN A 65 -9.787 -6.665 -4.731 1.00 0.00 C ATOM 959 CG ASN A 65 -10.448 -7.455 -5.844 1.00 0.00 C ATOM 960 OD1 ASN A 65 -11.664 -7.063 -6.207 1.00 0.00 O flip ATOM 961 ND2 ASN A 65 -9.871 -8.407 -6.372 1.00 0.00 N flip ATOM 0 H ASN A 65 -10.334 -6.655 -1.545 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.696 -7.982 -3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.318 -5.723 -4.593 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.766 -6.416 -5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.937 -8.673 -6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.328 -8.929 -7.120 1.00 0.00 H new ATOM 968 N GLU A 66 -8.338 -9.007 -2.238 1.00 0.00 N ATOM 969 CA GLU A 66 -7.258 -9.977 -2.101 1.00 0.00 C ATOM 970 C GLU A 66 -7.694 -11.159 -1.239 1.00 0.00 C ATOM 971 O GLU A 66 -8.808 -11.180 -0.716 1.00 0.00 O ATOM 972 CB GLU A 66 -6.022 -9.315 -1.490 1.00 0.00 C ATOM 973 CG GLU A 66 -6.259 -8.749 -0.100 1.00 0.00 C ATOM 974 CD GLU A 66 -4.975 -8.581 0.689 1.00 0.00 C ATOM 975 OE1 GLU A 66 -4.003 -8.031 0.131 1.00 0.00 O ATOM 976 OE2 GLU A 66 -4.943 -8.999 1.865 1.00 0.00 O ATOM 0 H GLU A 66 -8.852 -8.823 -1.376 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.009 -10.347 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.215 -10.046 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.687 -8.513 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.757 -7.783 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.933 -9.409 0.447 1.00 0.00 H new ATOM 983 N GLN A 67 -6.808 -12.139 -1.098 1.00 0.00 N ATOM 984 CA GLN A 67 -7.102 -13.325 -0.301 1.00 0.00 C ATOM 985 C GLN A 67 -6.315 -13.311 1.005 1.00 0.00 C ATOM 986 O GLN A 67 -5.170 -12.863 1.064 1.00 0.00 O ATOM 987 CB GLN A 67 -6.776 -14.592 -1.094 1.00 0.00 C ATOM 988 CG GLN A 67 -5.286 -14.831 -1.272 1.00 0.00 C ATOM 989 CD GLN A 67 -4.988 -16.061 -2.107 1.00 0.00 C ATOM 990 OE1 GLN A 67 -5.708 -17.058 -2.044 1.00 0.00 O ATOM 991 NE2 GLN A 67 -3.922 -15.997 -2.896 1.00 0.00 N ATOM 0 H GLN A 67 -5.881 -12.136 -1.525 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.166 -13.318 -0.063 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.215 -15.451 -0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.245 -14.527 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.836 -13.958 -1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.820 -14.940 -0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.353 -15.151 -2.917 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.672 -16.794 -3.481 1.00 0.00 H new ATOM 1000 N PRO A 68 -6.942 -13.813 2.080 1.00 0.00 N ATOM 1001 CA PRO A 68 -6.319 -13.870 3.405 1.00 0.00 C ATOM 1002 C PRO A 68 -5.186 -14.888 3.470 1.00 0.00 C ATOM 1003 O PRO A 68 -5.214 -15.907 2.780 1.00 0.00 O ATOM 1004 CB PRO A 68 -7.471 -14.293 4.321 1.00 0.00 C ATOM 1005 CG PRO A 68 -8.414 -15.025 3.429 1.00 0.00 C ATOM 1006 CD PRO A 68 -8.308 -14.364 2.083 1.00 0.00 C ATOM 0 HA PRO A 68 -5.863 -12.919 3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.118 -14.930 5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.950 -13.428 4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.152 -16.081 3.367 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.434 -14.971 3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.455 -15.078 1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.057 -13.582 1.959 1.00 0.00 H new ATOM 1014 N ASP A 69 -4.190 -14.606 4.302 1.00 0.00 N ATOM 1015 CA ASP A 69 -3.047 -15.498 4.458 1.00 0.00 C ATOM 1016 C ASP A 69 -2.235 -15.131 5.696 1.00 0.00 C ATOM 1017 O ASP A 69 -2.083 -13.960 6.044 1.00 0.00 O ATOM 1018 CB ASP A 69 -2.157 -15.443 3.215 1.00 0.00 C ATOM 1019 CG ASP A 69 -0.706 -15.754 3.527 1.00 0.00 C ATOM 1020 OD1 ASP A 69 0.031 -14.821 3.908 1.00 0.00 O ATOM 1021 OD2 ASP A 69 -0.308 -16.929 3.390 1.00 0.00 O ATOM 0 H ASP A 69 -4.151 -13.766 4.879 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.424 -16.513 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.527 -16.153 2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.225 -14.452 2.767 1.00 0.00 H new ATOM 1026 N PRO A 70 -1.703 -16.155 6.380 1.00 0.00 N ATOM 1027 CA PRO A 70 -0.898 -15.965 7.590 1.00 0.00 C ATOM 1028 C PRO A 70 0.456 -15.331 7.293 1.00 0.00 C ATOM 1029 O PRO A 70 0.988 -15.468 6.191 1.00 0.00 O ATOM 1030 CB PRO A 70 -0.717 -17.388 8.123 1.00 0.00 C ATOM 1031 CG PRO A 70 -0.853 -18.262 6.923 1.00 0.00 C ATOM 1032 CD PRO A 70 -1.844 -17.576 6.023 1.00 0.00 C ATOM 0 HA PRO A 70 -1.379 -15.288 8.297 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.257 -17.513 8.595 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.469 -17.628 8.875 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.107 -18.389 6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.202 -19.256 7.202 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.619 -17.750 4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.859 -17.935 6.195 1.00 0.00 H new ATOM 1040 N SER A 71 1.009 -14.636 8.282 1.00 0.00 N ATOM 1041 CA SER A 71 2.301 -13.978 8.125 1.00 0.00 C ATOM 1042 C SER A 71 3.170 -14.184 9.361 1.00 0.00 C ATOM 1043 O SER A 71 2.701 -14.671 10.389 1.00 0.00 O ATOM 1044 CB SER A 71 2.107 -12.482 7.868 1.00 0.00 C ATOM 1045 OG SER A 71 3.289 -11.896 7.352 1.00 0.00 O ATOM 0 H SER A 71 0.583 -14.514 9.200 1.00 0.00 H new ATOM 0 HA SER A 71 2.806 -14.425 7.269 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.287 -12.334 7.165 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.825 -11.984 8.796 1.00 0.00 H new ATOM 0 HG SER A 71 3.139 -10.940 7.195 1.00 0.00 H new ATOM 1051 N GLY A 72 4.442 -13.811 9.253 1.00 0.00 N ATOM 1052 CA GLY A 72 5.358 -13.963 10.368 1.00 0.00 C ATOM 1053 C GLY A 72 6.368 -12.836 10.446 1.00 0.00 C ATOM 1054 O GLY A 72 7.434 -12.903 9.833 1.00 0.00 O ATOM 0 H GLY A 72 4.854 -13.406 8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.790 -14.003 11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.885 -14.913 10.275 1.00 0.00 H new ATOM 1058 N LYS A 73 6.033 -11.794 11.201 1.00 0.00 N ATOM 1059 CA LYS A 73 6.919 -10.646 11.357 1.00 0.00 C ATOM 1060 C LYS A 73 8.372 -11.093 11.484 1.00 0.00 C ATOM 1061 O LYS A 73 8.650 -12.222 11.888 1.00 0.00 O ATOM 1062 CB LYS A 73 6.516 -9.829 12.587 1.00 0.00 C ATOM 1063 CG LYS A 73 6.867 -10.500 13.904 1.00 0.00 C ATOM 1064 CD LYS A 73 5.767 -11.445 14.359 1.00 0.00 C ATOM 1065 CE LYS A 73 6.012 -11.944 15.775 1.00 0.00 C ATOM 1066 NZ LYS A 73 5.839 -10.861 16.782 1.00 0.00 N ATOM 0 H LYS A 73 5.154 -11.721 11.714 1.00 0.00 H new ATOM 0 HA LYS A 73 6.826 -10.023 10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.005 -8.856 12.543 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.442 -9.647 12.556 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.800 -11.052 13.795 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.034 -9.740 14.667 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.805 -10.934 14.313 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.710 -12.294 13.678 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.324 -12.760 15.997 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.021 -12.350 15.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.729 -10.726 17.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.583 -9.976 16.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.084 -11.123 17.448 1.00 0.00 H new ATOM 1080 N GLU A 74 9.293 -10.199 11.138 1.00 0.00 N ATOM 1081 CA GLU A 74 10.717 -10.503 11.215 1.00 0.00 C ATOM 1082 C GLU A 74 11.501 -9.306 11.744 1.00 0.00 C ATOM 1083 O GLU A 74 10.958 -8.211 11.893 1.00 0.00 O ATOM 1084 CB GLU A 74 11.250 -10.907 9.839 1.00 0.00 C ATOM 1085 CG GLU A 74 11.172 -9.796 8.805 1.00 0.00 C ATOM 1086 CD GLU A 74 11.879 -10.152 7.512 1.00 0.00 C ATOM 1087 OE1 GLU A 74 12.021 -11.358 7.225 1.00 0.00 O ATOM 1088 OE2 GLU A 74 12.290 -9.222 6.786 1.00 0.00 O ATOM 0 H GLU A 74 9.079 -9.260 10.802 1.00 0.00 H new ATOM 0 HA GLU A 74 10.848 -11.336 11.906 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.288 -11.226 9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.686 -11.767 9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.126 -9.574 8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.613 -8.889 9.218 1.00 0.00 H new ATOM 1095 N SER A 75 12.782 -9.522 12.027 1.00 0.00 N ATOM 1096 CA SER A 75 13.640 -8.463 12.544 1.00 0.00 C ATOM 1097 C SER A 75 13.714 -7.296 11.564 1.00 0.00 C ATOM 1098 O SER A 75 13.253 -7.395 10.428 1.00 0.00 O ATOM 1099 CB SER A 75 15.045 -9.004 12.817 1.00 0.00 C ATOM 1100 OG SER A 75 15.699 -8.243 13.818 1.00 0.00 O ATOM 0 H SER A 75 13.248 -10.421 11.907 1.00 0.00 H new ATOM 0 HA SER A 75 13.208 -8.103 13.478 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.982 -10.046 13.131 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.631 -8.983 11.898 1.00 0.00 H new ATOM 0 HG SER A 75 16.594 -8.610 13.975 1.00 0.00 H new ATOM 1106 N GLY A 76 14.297 -6.189 12.014 1.00 0.00 N ATOM 1107 CA GLY A 76 14.420 -5.018 11.165 1.00 0.00 C ATOM 1108 C GLY A 76 15.188 -3.895 11.834 1.00 0.00 C ATOM 1109 O GLY A 76 15.137 -3.719 13.052 1.00 0.00 O ATOM 0 H GLY A 76 14.686 -6.082 12.951 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.922 -5.296 10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.426 -4.663 10.894 1.00 0.00 H new ATOM 1113 N PRO A 77 15.921 -3.113 11.029 1.00 0.00 N ATOM 1114 CA PRO A 77 16.718 -1.988 11.529 1.00 0.00 C ATOM 1115 C PRO A 77 15.849 -0.836 12.021 1.00 0.00 C ATOM 1116 O PRO A 77 14.621 -0.907 11.972 1.00 0.00 O ATOM 1117 CB PRO A 77 17.533 -1.560 10.307 1.00 0.00 C ATOM 1118 CG PRO A 77 16.723 -2.003 9.137 1.00 0.00 C ATOM 1119 CD PRO A 77 16.029 -3.265 9.568 1.00 0.00 C ATOM 0 HA PRO A 77 17.328 -2.270 12.387 1.00 0.00 H new ATOM 0 HB2 PRO A 77 17.690 -0.481 10.294 1.00 0.00 H new ATOM 0 HB3 PRO A 77 18.518 -2.026 10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 77 16.001 -1.239 8.851 1.00 0.00 H new ATOM 0 HG3 PRO A 77 17.357 -2.183 8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.049 -3.364 9.101 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.603 -4.152 9.298 1.00 0.00 H new ATOM 1127 N SER A 78 16.494 0.226 12.494 1.00 0.00 N ATOM 1128 CA SER A 78 15.780 1.393 12.998 1.00 0.00 C ATOM 1129 C SER A 78 16.570 2.670 12.733 1.00 0.00 C ATOM 1130 O SER A 78 17.779 2.724 12.962 1.00 0.00 O ATOM 1131 CB SER A 78 15.514 1.246 14.498 1.00 0.00 C ATOM 1132 OG SER A 78 16.716 1.351 15.241 1.00 0.00 O ATOM 0 H SER A 78 17.510 0.302 12.539 1.00 0.00 H new ATOM 0 HA SER A 78 14.828 1.460 12.472 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.813 2.015 14.823 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.044 0.282 14.695 1.00 0.00 H new ATOM 0 HG SER A 78 16.519 1.256 16.196 1.00 0.00 H new ATOM 1138 N SER A 79 15.879 3.696 12.248 1.00 0.00 N ATOM 1139 CA SER A 79 16.516 4.973 11.947 1.00 0.00 C ATOM 1140 C SER A 79 17.845 4.761 11.228 1.00 0.00 C ATOM 1141 O SER A 79 18.853 5.378 11.569 1.00 0.00 O ATOM 1142 CB SER A 79 16.740 5.771 13.233 1.00 0.00 C ATOM 1143 OG SER A 79 15.589 6.525 13.572 1.00 0.00 O ATOM 0 H SER A 79 14.878 3.668 12.055 1.00 0.00 H new ATOM 0 HA SER A 79 15.853 5.536 11.290 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.986 5.091 14.048 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.592 6.439 13.107 1.00 0.00 H new ATOM 0 HG SER A 79 15.757 7.025 14.398 1.00 0.00 H new ATOM 1149 N GLY A 80 17.837 3.883 10.230 1.00 0.00 N ATOM 1150 CA GLY A 80 19.047 3.604 9.478 1.00 0.00 C ATOM 1151 C GLY A 80 18.786 3.467 7.991 1.00 0.00 C ATOM 1152 O GLY A 80 18.796 2.360 7.452 1.00 0.00 O ATOM 0 H GLY A 80 17.015 3.360 9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.768 4.404 9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.499 2.685 9.851 1.00 0.00 H new TER 1156 GLY A 80