USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 526 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 27 THR OG1 : rot -34:sc= 0.559 USER MOD Set 1.2: A 28 THR OG1 : rot 106:sc= 1.25 USER MOD Set 2.1: A 8 CYS SG : rot 130:sc= -0.0978 USER MOD Set 2.2: A 65 HIS : no HD1:sc= -0.011 X(o=-0.11,f=0.19) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 67:sc= 0.127 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 154:sc= 0.0654 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 160:sc= -1.7 (180deg=-2.47) USER MOD Single : A 47 SER OG : rot -63:sc= 1.23 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.2) USER MOD Single : A 56 HIS :FLIP no HE2:sc= -1.22 F(o=-2,f=-1.2) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 69 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 -7.476 16.391 -1.599 1.00 0.00 N ATOM 2 CA PRO A 5 -7.209 14.949 -1.849 1.00 0.00 C ATOM 3 C PRO A 5 -7.676 14.104 -0.661 1.00 0.00 C ATOM 4 O PRO A 5 -6.937 13.291 -0.138 1.00 0.00 O ATOM 5 CB PRO A 5 -5.693 14.875 -1.999 1.00 0.00 C ATOM 6 CG PRO A 5 -5.180 16.057 -1.249 1.00 0.00 C ATOM 7 CD PRO A 5 -6.226 17.130 -1.371 1.00 0.00 C ATOM 0 HA PRO A 5 -7.736 14.568 -2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.300 13.945 -1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -5.397 14.912 -3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.003 15.805 -0.203 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.229 16.394 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.281 17.737 -0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.007 17.807 -2.197 1.00 0.00 H new ATOM 15 N THR A 6 -8.900 14.289 -0.238 1.00 0.00 N ATOM 16 CA THR A 6 -9.425 13.495 0.914 1.00 0.00 C ATOM 17 C THR A 6 -9.622 12.028 0.514 1.00 0.00 C ATOM 18 O THR A 6 -9.689 11.156 1.360 1.00 0.00 O ATOM 19 CB THR A 6 -10.762 14.148 1.281 1.00 0.00 C ATOM 20 OG1 THR A 6 -11.534 14.339 0.103 1.00 0.00 O ATOM 21 CG2 THR A 6 -10.503 15.497 1.954 1.00 0.00 C ATOM 0 H THR A 6 -9.559 14.956 -0.640 1.00 0.00 H new ATOM 0 HA THR A 6 -8.734 13.494 1.757 1.00 0.00 H new ATOM 0 HB THR A 6 -11.308 13.502 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.390 14.755 0.337 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.454 15.962 2.215 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.913 15.345 2.858 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.958 16.146 1.269 1.00 0.00 H new ATOM 29 N ASP A 7 -9.711 11.746 -0.766 1.00 0.00 N ATOM 30 CA ASP A 7 -9.896 10.331 -1.207 1.00 0.00 C ATOM 31 C ASP A 7 -8.649 9.834 -1.943 1.00 0.00 C ATOM 32 O ASP A 7 -8.244 10.388 -2.948 1.00 0.00 O ATOM 33 CB ASP A 7 -11.100 10.356 -2.152 1.00 0.00 C ATOM 34 CG ASP A 7 -12.379 10.653 -1.361 1.00 0.00 C ATOM 35 OD1 ASP A 7 -12.410 10.355 -0.177 1.00 0.00 O ATOM 36 OD2 ASP A 7 -13.308 11.175 -1.955 1.00 0.00 O ATOM 0 H ASP A 7 -9.663 12.433 -1.518 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.056 9.659 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.954 11.114 -2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.192 9.397 -2.663 1.00 0.00 H new ATOM 41 N CYS A 8 -8.046 8.787 -1.447 1.00 0.00 N ATOM 42 CA CYS A 8 -6.829 8.225 -2.102 1.00 0.00 C ATOM 43 C CYS A 8 -6.698 6.749 -1.724 1.00 0.00 C ATOM 44 O CYS A 8 -5.667 6.299 -1.263 1.00 0.00 O ATOM 45 CB CYS A 8 -5.659 9.036 -1.542 1.00 0.00 C ATOM 46 SG CYS A 8 -4.259 8.942 -2.686 1.00 0.00 S ATOM 0 H CYS A 8 -8.348 8.292 -0.608 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.865 8.285 -3.190 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.957 10.075 -1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.370 8.651 -0.564 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.815 10.140 -2.928 1.00 0.00 H new ATOM 52 N SER A 9 -7.764 6.010 -1.880 1.00 0.00 N ATOM 53 CA SER A 9 -7.755 4.566 -1.492 1.00 0.00 C ATOM 54 C SER A 9 -6.688 3.779 -2.260 1.00 0.00 C ATOM 55 O SER A 9 -6.066 4.272 -3.181 1.00 0.00 O ATOM 56 CB SER A 9 -9.153 4.048 -1.838 1.00 0.00 C ATOM 57 OG SER A 9 -9.235 3.796 -3.236 1.00 0.00 O ATOM 0 H SER A 9 -8.648 6.346 -2.262 1.00 0.00 H new ATOM 0 HA SER A 9 -7.516 4.444 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.362 3.135 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.906 4.780 -1.545 1.00 0.00 H new ATOM 0 HG SER A 9 -10.130 3.463 -3.456 1.00 0.00 H new ATOM 63 N ILE A 10 -6.467 2.559 -1.850 1.00 0.00 N ATOM 64 CA ILE A 10 -5.431 1.700 -2.499 1.00 0.00 C ATOM 65 C ILE A 10 -5.846 1.311 -3.924 1.00 0.00 C ATOM 66 O ILE A 10 -5.015 1.192 -4.795 1.00 0.00 O ATOM 67 CB ILE A 10 -5.330 0.455 -1.605 1.00 0.00 C ATOM 68 CG1 ILE A 10 -4.889 0.871 -0.198 1.00 0.00 C ATOM 69 CG2 ILE A 10 -4.308 -0.529 -2.183 1.00 0.00 C ATOM 70 CD1 ILE A 10 -4.969 -0.335 0.741 1.00 0.00 C ATOM 0 H ILE A 10 -6.968 2.113 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.477 2.219 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.306 -0.028 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.870 1.258 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.526 1.675 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.245 -1.407 -1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.620 -0.832 -3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.331 -0.049 -2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.655 -0.038 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.995 -0.701 0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.314 -1.125 0.375 1.00 0.00 H new ATOM 82 N VAL A 11 -7.114 1.086 -4.161 1.00 0.00 N ATOM 83 CA VAL A 11 -7.572 0.670 -5.533 1.00 0.00 C ATOM 84 C VAL A 11 -7.011 1.604 -6.626 1.00 0.00 C ATOM 85 O VAL A 11 -6.380 1.157 -7.566 1.00 0.00 O ATOM 86 CB VAL A 11 -9.105 0.765 -5.481 1.00 0.00 C ATOM 87 CG1 VAL A 11 -9.701 0.365 -6.836 1.00 0.00 C ATOM 88 CG2 VAL A 11 -9.641 -0.175 -4.395 1.00 0.00 C ATOM 0 H VAL A 11 -7.856 1.171 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.222 -0.331 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.389 1.792 -5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.788 0.435 -6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.326 1.035 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.413 -0.659 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.728 -0.107 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.349 -1.200 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.227 0.112 -3.428 1.00 0.00 H new ATOM 98 N SER A 12 -7.257 2.883 -6.517 1.00 0.00 N ATOM 99 CA SER A 12 -6.761 3.845 -7.559 1.00 0.00 C ATOM 100 C SER A 12 -5.228 3.814 -7.677 1.00 0.00 C ATOM 101 O SER A 12 -4.683 3.899 -8.761 1.00 0.00 O ATOM 102 CB SER A 12 -7.229 5.220 -7.082 1.00 0.00 C ATOM 103 OG SER A 12 -8.651 5.250 -7.057 1.00 0.00 O ATOM 0 H SER A 12 -7.780 3.309 -5.752 1.00 0.00 H new ATOM 0 HA SER A 12 -7.145 3.591 -8.547 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.832 5.427 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.849 5.997 -7.746 1.00 0.00 H new ATOM 0 HG SER A 12 -8.954 6.130 -6.750 1.00 0.00 H new ATOM 109 N PHE A 13 -4.535 3.717 -6.573 1.00 0.00 N ATOM 110 CA PHE A 13 -3.032 3.706 -6.610 1.00 0.00 C ATOM 111 C PHE A 13 -2.491 2.524 -7.441 1.00 0.00 C ATOM 112 O PHE A 13 -1.625 2.696 -8.278 1.00 0.00 O ATOM 113 CB PHE A 13 -2.610 3.591 -5.135 1.00 0.00 C ATOM 114 CG PHE A 13 -1.111 3.401 -5.019 1.00 0.00 C ATOM 115 CD1 PHE A 13 -0.237 4.450 -5.332 1.00 0.00 C ATOM 116 CD2 PHE A 13 -0.601 2.167 -4.600 1.00 0.00 C ATOM 117 CE1 PHE A 13 1.146 4.263 -5.225 1.00 0.00 C ATOM 118 CE2 PHE A 13 0.781 1.981 -4.494 1.00 0.00 C ATOM 119 CZ PHE A 13 1.654 3.028 -4.806 1.00 0.00 C ATOM 0 H PHE A 13 -4.942 3.644 -5.641 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.630 4.600 -7.087 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.910 4.489 -4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.125 2.751 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.630 5.402 -5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.275 1.358 -4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.821 5.071 -5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.174 1.028 -4.171 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.721 2.883 -4.724 1.00 0.00 H new ATOM 129 N LEU A 14 -2.977 1.337 -7.199 1.00 0.00 N ATOM 130 CA LEU A 14 -2.478 0.142 -7.952 1.00 0.00 C ATOM 131 C LEU A 14 -2.719 0.313 -9.454 1.00 0.00 C ATOM 132 O LEU A 14 -1.898 -0.069 -10.267 1.00 0.00 O ATOM 133 CB LEU A 14 -3.273 -1.044 -7.401 1.00 0.00 C ATOM 134 CG LEU A 14 -2.825 -1.333 -5.966 1.00 0.00 C ATOM 135 CD1 LEU A 14 -3.829 -2.275 -5.296 1.00 0.00 C ATOM 136 CD2 LEU A 14 -1.446 -2.000 -5.986 1.00 0.00 C ATOM 0 H LEU A 14 -3.702 1.139 -6.509 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.405 -0.001 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.340 -0.823 -7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.117 -1.923 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.773 -0.397 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.509 -2.480 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.813 -1.807 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.880 -3.209 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.127 -2.206 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.502 -2.935 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.727 -1.335 -6.464 1.00 0.00 H new ATOM 148 N ALA A 15 -3.830 0.897 -9.829 1.00 0.00 N ATOM 149 CA ALA A 15 -4.113 1.105 -11.285 1.00 0.00 C ATOM 150 C ALA A 15 -3.013 1.977 -11.907 1.00 0.00 C ATOM 151 O ALA A 15 -2.498 1.683 -12.969 1.00 0.00 O ATOM 152 CB ALA A 15 -5.465 1.818 -11.336 1.00 0.00 C ATOM 0 H ALA A 15 -4.551 1.238 -9.194 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.135 0.169 -11.843 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.739 2.004 -12.374 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.224 1.192 -10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.397 2.766 -10.803 1.00 0.00 H new ATOM 158 N ARG A 16 -2.655 3.047 -11.245 1.00 0.00 N ATOM 159 CA ARG A 16 -1.590 3.954 -11.777 1.00 0.00 C ATOM 160 C ARG A 16 -0.265 3.198 -11.929 1.00 0.00 C ATOM 161 O ARG A 16 0.584 3.577 -12.714 1.00 0.00 O ATOM 162 CB ARG A 16 -1.441 5.066 -10.737 1.00 0.00 C ATOM 163 CG ARG A 16 -2.681 5.962 -10.749 1.00 0.00 C ATOM 164 CD ARG A 16 -2.655 6.861 -11.992 1.00 0.00 C ATOM 165 NE ARG A 16 -1.624 7.897 -11.703 1.00 0.00 N ATOM 166 CZ ARG A 16 -1.104 8.592 -12.679 1.00 0.00 C ATOM 167 NH1 ARG A 16 -0.607 7.982 -13.722 1.00 0.00 N ATOM 168 NH2 ARG A 16 -1.079 9.895 -12.614 1.00 0.00 N ATOM 0 H ARG A 16 -3.057 3.334 -10.353 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.853 4.345 -12.760 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.305 4.633 -9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.552 5.659 -10.951 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.584 5.351 -10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.709 6.573 -9.847 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.401 6.291 -12.885 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.630 7.315 -12.170 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.324 8.064 -10.742 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.625 6.963 -13.774 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.201 8.524 -14.484 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.466 10.373 -11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.672 10.436 -13.377 1.00 0.00 H new ATOM 182 N LEU A 17 -0.083 2.132 -11.190 1.00 0.00 N ATOM 183 CA LEU A 17 1.187 1.348 -11.294 1.00 0.00 C ATOM 184 C LEU A 17 0.957 0.071 -12.122 1.00 0.00 C ATOM 185 O LEU A 17 1.769 -0.836 -12.115 1.00 0.00 O ATOM 186 CB LEU A 17 1.534 0.996 -9.845 1.00 0.00 C ATOM 187 CG LEU A 17 2.975 0.478 -9.756 1.00 0.00 C ATOM 188 CD1 LEU A 17 3.954 1.645 -9.920 1.00 0.00 C ATOM 189 CD2 LEU A 17 3.189 -0.189 -8.392 1.00 0.00 C ATOM 0 H LEU A 17 -0.760 1.770 -10.518 1.00 0.00 H new ATOM 0 HA LEU A 17 1.985 1.902 -11.788 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.416 1.875 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.844 0.239 -9.472 1.00 0.00 H new ATOM 0 HG LEU A 17 3.151 -0.249 -10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.977 1.274 -9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.799 2.116 -10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.784 2.376 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.212 -0.559 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.013 0.538 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.494 -1.022 -8.281 1.00 0.00 H new ATOM 201 N GLY A 18 -0.141 -0.011 -12.837 1.00 0.00 N ATOM 202 CA GLY A 18 -0.411 -1.230 -13.654 1.00 0.00 C ATOM 203 C GLY A 18 -0.617 -2.428 -12.725 1.00 0.00 C ATOM 204 O GLY A 18 -0.338 -3.557 -13.084 1.00 0.00 O ATOM 0 H GLY A 18 -0.858 0.713 -12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.296 -1.078 -14.272 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.422 -1.420 -14.331 1.00 0.00 H new ATOM 208 N CYS A 19 -1.103 -2.188 -11.532 1.00 0.00 N ATOM 209 CA CYS A 19 -1.331 -3.308 -10.570 1.00 0.00 C ATOM 210 C CYS A 19 -2.815 -3.382 -10.207 1.00 0.00 C ATOM 211 O CYS A 19 -3.496 -2.375 -10.158 1.00 0.00 O ATOM 212 CB CYS A 19 -0.492 -2.956 -9.341 1.00 0.00 C ATOM 213 SG CYS A 19 1.259 -3.238 -9.703 1.00 0.00 S ATOM 0 H CYS A 19 -1.352 -1.262 -11.183 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.051 -4.277 -10.983 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.654 -1.914 -9.064 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.801 -3.564 -8.491 1.00 0.00 H new ATOM 0 HG CYS A 19 1.658 -2.391 -10.605 1.00 0.00 H new ATOM 219 N SER A 20 -3.326 -4.564 -9.961 1.00 0.00 N ATOM 220 CA SER A 20 -4.775 -4.708 -9.608 1.00 0.00 C ATOM 221 C SER A 20 -5.075 -6.156 -9.190 1.00 0.00 C ATOM 222 O SER A 20 -5.873 -6.406 -8.307 1.00 0.00 O ATOM 223 CB SER A 20 -5.535 -4.353 -10.890 1.00 0.00 C ATOM 224 OG SER A 20 -6.617 -3.488 -10.571 1.00 0.00 O ATOM 0 H SER A 20 -2.801 -5.438 -9.989 1.00 0.00 H new ATOM 0 HA SER A 20 -5.062 -4.068 -8.774 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.865 -3.869 -11.601 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.907 -5.259 -11.368 1.00 0.00 H new ATOM 0 HG SER A 20 -7.104 -3.258 -11.390 1.00 0.00 H new ATOM 230 N SER A 21 -4.443 -7.106 -9.832 1.00 0.00 N ATOM 231 CA SER A 21 -4.678 -8.550 -9.507 1.00 0.00 C ATOM 232 C SER A 21 -4.511 -8.831 -8.006 1.00 0.00 C ATOM 233 O SER A 21 -5.059 -9.786 -7.491 1.00 0.00 O ATOM 234 CB SER A 21 -3.620 -9.315 -10.303 1.00 0.00 C ATOM 235 OG SER A 21 -3.856 -9.135 -11.694 1.00 0.00 O ATOM 0 H SER A 21 -3.766 -6.942 -10.577 1.00 0.00 H new ATOM 0 HA SER A 21 -5.695 -8.848 -9.762 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.624 -8.958 -10.042 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.655 -10.375 -10.051 1.00 0.00 H new ATOM 0 HG SER A 21 -3.178 -9.623 -12.207 1.00 0.00 H new ATOM 241 N CYS A 22 -3.763 -8.015 -7.300 1.00 0.00 N ATOM 242 CA CYS A 22 -3.574 -8.252 -5.834 1.00 0.00 C ATOM 243 C CYS A 22 -4.603 -7.463 -5.006 1.00 0.00 C ATOM 244 O CYS A 22 -4.596 -7.522 -3.790 1.00 0.00 O ATOM 245 CB CYS A 22 -2.158 -7.759 -5.534 1.00 0.00 C ATOM 246 SG CYS A 22 -0.958 -8.846 -6.343 1.00 0.00 S ATOM 0 H CYS A 22 -3.278 -7.199 -7.674 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.712 -9.302 -5.575 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.035 -6.736 -5.888 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.986 -7.746 -4.458 1.00 0.00 H new ATOM 0 HG CYS A 22 0.138 -8.187 -6.573 1.00 0.00 H new ATOM 252 N LEU A 23 -5.476 -6.719 -5.647 1.00 0.00 N ATOM 253 CA LEU A 23 -6.487 -5.924 -4.883 1.00 0.00 C ATOM 254 C LEU A 23 -7.364 -6.851 -4.037 1.00 0.00 C ATOM 255 O LEU A 23 -7.692 -6.539 -2.911 1.00 0.00 O ATOM 256 CB LEU A 23 -7.330 -5.211 -5.948 1.00 0.00 C ATOM 257 CG LEU A 23 -8.412 -4.356 -5.277 1.00 0.00 C ATOM 258 CD1 LEU A 23 -7.768 -3.158 -4.573 1.00 0.00 C ATOM 259 CD2 LEU A 23 -9.395 -3.857 -6.338 1.00 0.00 C ATOM 0 H LEU A 23 -5.530 -6.630 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.018 -5.218 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.691 -4.582 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.793 -5.945 -6.608 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.942 -4.960 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.542 -2.555 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.070 -3.513 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.233 -2.551 -5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.165 -3.249 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.861 -3.256 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.860 -4.710 -6.833 1.00 0.00 H new ATOM 271 N ASP A 24 -7.763 -7.974 -4.578 1.00 0.00 N ATOM 272 CA ASP A 24 -8.645 -8.916 -3.813 1.00 0.00 C ATOM 273 C ASP A 24 -8.076 -9.227 -2.417 1.00 0.00 C ATOM 274 O ASP A 24 -8.822 -9.413 -1.473 1.00 0.00 O ATOM 275 CB ASP A 24 -8.694 -10.189 -4.664 1.00 0.00 C ATOM 276 CG ASP A 24 -9.787 -11.127 -4.140 1.00 0.00 C ATOM 277 OD1 ASP A 24 -10.083 -11.063 -2.957 1.00 0.00 O ATOM 278 OD2 ASP A 24 -10.305 -11.897 -4.932 1.00 0.00 O ATOM 0 H ASP A 24 -7.517 -8.283 -5.519 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.632 -8.484 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.891 -9.933 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.727 -10.692 -4.637 1.00 0.00 H new ATOM 283 N TYR A 25 -6.773 -9.297 -2.276 1.00 0.00 N ATOM 284 CA TYR A 25 -6.183 -9.611 -0.934 1.00 0.00 C ATOM 285 C TYR A 25 -6.416 -8.460 0.054 1.00 0.00 C ATOM 286 O TYR A 25 -6.704 -8.688 1.215 1.00 0.00 O ATOM 287 CB TYR A 25 -4.685 -9.810 -1.176 1.00 0.00 C ATOM 288 CG TYR A 25 -4.469 -11.062 -1.988 1.00 0.00 C ATOM 289 CD1 TYR A 25 -4.378 -12.305 -1.349 1.00 0.00 C ATOM 290 CD2 TYR A 25 -4.355 -10.981 -3.380 1.00 0.00 C ATOM 291 CE1 TYR A 25 -4.175 -13.466 -2.103 1.00 0.00 C ATOM 292 CE2 TYR A 25 -4.152 -12.143 -4.134 1.00 0.00 C ATOM 293 CZ TYR A 25 -4.062 -13.386 -3.496 1.00 0.00 C ATOM 294 OH TYR A 25 -3.863 -14.531 -4.242 1.00 0.00 O ATOM 0 H TYR A 25 -6.097 -9.152 -3.026 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.646 -10.496 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.273 -8.948 -1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.159 -9.886 -0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.465 -12.367 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.424 -10.022 -3.873 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.105 -14.424 -1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.065 -12.081 -5.209 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.808 -14.297 -5.192 1.00 0.00 H new ATOM 304 N PHE A 26 -6.295 -7.228 -0.388 1.00 0.00 N ATOM 305 CA PHE A 26 -6.512 -6.076 0.548 1.00 0.00 C ATOM 306 C PHE A 26 -7.974 -6.033 0.993 1.00 0.00 C ATOM 307 O PHE A 26 -8.277 -5.802 2.144 1.00 0.00 O ATOM 308 CB PHE A 26 -6.178 -4.819 -0.261 1.00 0.00 C ATOM 309 CG PHE A 26 -4.692 -4.745 -0.512 1.00 0.00 C ATOM 310 CD1 PHE A 26 -3.844 -4.212 0.466 1.00 0.00 C ATOM 311 CD2 PHE A 26 -4.164 -5.196 -1.727 1.00 0.00 C ATOM 312 CE1 PHE A 26 -2.467 -4.132 0.231 1.00 0.00 C ATOM 313 CE2 PHE A 26 -2.786 -5.116 -1.963 1.00 0.00 C ATOM 314 CZ PHE A 26 -1.938 -4.584 -0.984 1.00 0.00 C ATOM 0 H PHE A 26 -6.058 -6.972 -1.347 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.895 -6.160 1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.715 -4.834 -1.210 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.508 -3.931 0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.253 -3.862 1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.819 -5.605 -2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.813 -3.722 0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.377 -5.465 -2.900 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.875 -4.522 -1.166 1.00 0.00 H new ATOM 324 N THR A 27 -8.872 -6.269 0.080 1.00 0.00 N ATOM 325 CA THR A 27 -10.323 -6.254 0.435 1.00 0.00 C ATOM 326 C THR A 27 -10.611 -7.397 1.409 1.00 0.00 C ATOM 327 O THR A 27 -11.360 -7.250 2.356 1.00 0.00 O ATOM 328 CB THR A 27 -11.080 -6.439 -0.883 1.00 0.00 C ATOM 329 OG1 THR A 27 -10.749 -7.699 -1.451 1.00 0.00 O ATOM 330 CG2 THR A 27 -10.705 -5.315 -1.856 1.00 0.00 C ATOM 0 H THR A 27 -8.667 -6.472 -0.898 1.00 0.00 H new ATOM 0 HA THR A 27 -10.627 -5.327 0.922 1.00 0.00 H new ATOM 0 HB THR A 27 -12.152 -6.403 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.815 -7.915 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.245 -5.450 -2.793 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.970 -4.352 -1.419 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.632 -5.343 -2.048 1.00 0.00 H new ATOM 338 N THR A 28 -10.009 -8.532 1.179 1.00 0.00 N ATOM 339 CA THR A 28 -10.219 -9.707 2.081 1.00 0.00 C ATOM 340 C THR A 28 -9.641 -9.445 3.482 1.00 0.00 C ATOM 341 O THR A 28 -9.977 -10.134 4.428 1.00 0.00 O ATOM 342 CB THR A 28 -9.475 -10.865 1.412 1.00 0.00 C ATOM 343 OG1 THR A 28 -9.942 -11.019 0.079 1.00 0.00 O ATOM 344 CG2 THR A 28 -9.724 -12.155 2.195 1.00 0.00 C ATOM 0 H THR A 28 -9.374 -8.700 0.398 1.00 0.00 H new ATOM 0 HA THR A 28 -11.280 -9.918 2.218 1.00 0.00 H new ATOM 0 HB THR A 28 -8.406 -10.652 1.400 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.264 -10.686 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.194 -12.979 1.717 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.364 -12.036 3.217 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.792 -12.371 2.210 1.00 0.00 H new ATOM 352 N GLN A 29 -8.762 -8.479 3.624 1.00 0.00 N ATOM 353 CA GLN A 29 -8.149 -8.206 4.965 1.00 0.00 C ATOM 354 C GLN A 29 -8.798 -6.998 5.662 1.00 0.00 C ATOM 355 O GLN A 29 -8.562 -6.761 6.832 1.00 0.00 O ATOM 356 CB GLN A 29 -6.685 -7.902 4.656 1.00 0.00 C ATOM 357 CG GLN A 29 -6.027 -9.122 4.009 1.00 0.00 C ATOM 358 CD GLN A 29 -5.478 -10.047 5.098 1.00 0.00 C ATOM 359 OE1 GLN A 29 -5.123 -9.597 6.170 1.00 0.00 O ATOM 360 NE2 GLN A 29 -5.384 -11.327 4.866 1.00 0.00 N ATOM 0 H GLN A 29 -8.443 -7.869 2.871 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.284 -9.050 5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.616 -7.043 3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.158 -7.637 5.572 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.752 -9.656 3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.221 -8.805 3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.682 -11.706 3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.013 -11.949 5.584 1.00 0.00 H new ATOM 369 N GLY A 30 -9.597 -6.229 4.963 1.00 0.00 N ATOM 370 CA GLY A 30 -10.240 -5.034 5.598 1.00 0.00 C ATOM 371 C GLY A 30 -9.381 -3.773 5.370 1.00 0.00 C ATOM 372 O GLY A 30 -9.629 -2.736 5.955 1.00 0.00 O ATOM 0 H GLY A 30 -9.832 -6.376 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.235 -4.884 5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.366 -5.207 6.667 1.00 0.00 H new ATOM 376 N LEU A 31 -8.388 -3.855 4.518 1.00 0.00 N ATOM 377 CA LEU A 31 -7.525 -2.667 4.238 1.00 0.00 C ATOM 378 C LEU A 31 -7.887 -2.066 2.878 1.00 0.00 C ATOM 379 O LEU A 31 -7.768 -2.715 1.856 1.00 0.00 O ATOM 380 CB LEU A 31 -6.097 -3.212 4.217 1.00 0.00 C ATOM 381 CG LEU A 31 -5.643 -3.517 5.653 1.00 0.00 C ATOM 382 CD1 LEU A 31 -5.169 -4.969 5.751 1.00 0.00 C ATOM 383 CD2 LEU A 31 -4.489 -2.585 6.037 1.00 0.00 C ATOM 0 H LEU A 31 -8.138 -4.699 4.002 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.650 -1.879 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.050 -4.116 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.426 -2.485 3.759 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.482 -3.362 6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.848 -5.179 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.987 -5.638 5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.334 -5.126 5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.169 -2.803 7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.654 -2.739 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.822 -1.549 5.975 1.00 0.00 H new ATOM 395 N THR A 32 -8.334 -0.836 2.862 1.00 0.00 N ATOM 396 CA THR A 32 -8.715 -0.199 1.564 1.00 0.00 C ATOM 397 C THR A 32 -7.981 1.133 1.341 1.00 0.00 C ATOM 398 O THR A 32 -7.818 1.563 0.214 1.00 0.00 O ATOM 399 CB THR A 32 -10.224 0.036 1.666 1.00 0.00 C ATOM 400 OG1 THR A 32 -10.511 0.746 2.862 1.00 0.00 O ATOM 401 CG2 THR A 32 -10.956 -1.308 1.681 1.00 0.00 C ATOM 0 H THR A 32 -8.451 -0.247 3.687 1.00 0.00 H new ATOM 0 HA THR A 32 -8.444 -0.834 0.720 1.00 0.00 H new ATOM 0 HB THR A 32 -10.558 0.618 0.807 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.477 0.899 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.030 -1.137 1.754 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.737 -1.852 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.623 -1.894 2.538 1.00 0.00 H new ATOM 409 N THR A 33 -7.564 1.808 2.390 1.00 0.00 N ATOM 410 CA THR A 33 -6.879 3.125 2.206 1.00 0.00 C ATOM 411 C THR A 33 -5.356 2.986 2.283 1.00 0.00 C ATOM 412 O THR A 33 -4.826 2.173 3.018 1.00 0.00 O ATOM 413 CB THR A 33 -7.387 3.997 3.356 1.00 0.00 C ATOM 414 OG1 THR A 33 -7.200 3.308 4.585 1.00 0.00 O ATOM 415 CG2 THR A 33 -8.874 4.301 3.158 1.00 0.00 C ATOM 0 H THR A 33 -7.669 1.504 3.358 1.00 0.00 H new ATOM 0 HA THR A 33 -7.096 3.550 1.226 1.00 0.00 H new ATOM 0 HB THR A 33 -6.831 4.934 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.523 3.864 5.324 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.231 4.922 3.980 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.015 4.830 2.215 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.437 3.368 3.138 1.00 0.00 H new ATOM 423 N ILE A 34 -4.654 3.796 1.531 1.00 0.00 N ATOM 424 CA ILE A 34 -3.161 3.753 1.546 1.00 0.00 C ATOM 425 C ILE A 34 -2.648 4.099 2.948 1.00 0.00 C ATOM 426 O ILE A 34 -1.700 3.511 3.432 1.00 0.00 O ATOM 427 CB ILE A 34 -2.714 4.814 0.527 1.00 0.00 C ATOM 428 CG1 ILE A 34 -3.156 4.393 -0.874 1.00 0.00 C ATOM 429 CG2 ILE A 34 -1.186 4.953 0.547 1.00 0.00 C ATOM 430 CD1 ILE A 34 -2.985 5.571 -1.835 1.00 0.00 C ATOM 0 H ILE A 34 -5.056 4.491 0.902 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.771 2.767 1.293 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.168 5.769 0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.564 3.543 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.197 4.071 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.880 5.707 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.861 5.254 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.730 3.997 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.300 5.273 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.596 6.408 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.938 5.872 -1.859 1.00 0.00 H new ATOM 442 N TYR A 35 -3.264 5.059 3.597 1.00 0.00 N ATOM 443 CA TYR A 35 -2.810 5.468 4.968 1.00 0.00 C ATOM 444 C TYR A 35 -2.691 4.252 5.893 1.00 0.00 C ATOM 445 O TYR A 35 -1.929 4.263 6.843 1.00 0.00 O ATOM 446 CB TYR A 35 -3.886 6.428 5.481 1.00 0.00 C ATOM 447 CG TYR A 35 -3.711 7.775 4.821 1.00 0.00 C ATOM 448 CD1 TYR A 35 -2.786 8.691 5.337 1.00 0.00 C ATOM 449 CD2 TYR A 35 -4.475 8.112 3.696 1.00 0.00 C ATOM 450 CE1 TYR A 35 -2.624 9.941 4.729 1.00 0.00 C ATOM 451 CE2 TYR A 35 -4.312 9.363 3.088 1.00 0.00 C ATOM 452 CZ TYR A 35 -3.386 10.277 3.604 1.00 0.00 C ATOM 453 OH TYR A 35 -3.227 11.510 3.005 1.00 0.00 O ATOM 0 H TYR A 35 -4.064 5.579 3.236 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.825 5.934 4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.877 6.030 5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.813 6.529 6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.197 8.433 6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.190 7.407 3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.911 10.647 5.128 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.901 9.623 2.221 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.831 11.581 2.237 1.00 0.00 H new ATOM 463 N GLN A 36 -3.418 3.202 5.611 1.00 0.00 N ATOM 464 CA GLN A 36 -3.323 1.981 6.464 1.00 0.00 C ATOM 465 C GLN A 36 -1.952 1.327 6.267 1.00 0.00 C ATOM 466 O GLN A 36 -1.352 0.822 7.198 1.00 0.00 O ATOM 467 CB GLN A 36 -4.429 1.050 5.962 1.00 0.00 C ATOM 468 CG GLN A 36 -5.796 1.620 6.339 1.00 0.00 C ATOM 469 CD GLN A 36 -6.188 1.119 7.729 1.00 0.00 C ATOM 470 OE1 GLN A 36 -6.118 1.851 8.696 1.00 0.00 O ATOM 471 NE2 GLN A 36 -6.603 -0.112 7.869 1.00 0.00 N ATOM 0 H GLN A 36 -4.071 3.138 4.830 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.435 2.205 7.525 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.358 0.936 4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.306 0.058 6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.764 2.709 6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.544 1.316 5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.662 -0.726 7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.868 -0.459 8.791 1.00 0.00 H new ATOM 480 N ILE A 37 -1.466 1.319 5.050 1.00 0.00 N ATOM 481 CA ILE A 37 -0.142 0.682 4.766 1.00 0.00 C ATOM 482 C ILE A 37 0.994 1.717 4.644 1.00 0.00 C ATOM 483 O ILE A 37 2.115 1.362 4.328 1.00 0.00 O ATOM 484 CB ILE A 37 -0.331 -0.072 3.444 1.00 0.00 C ATOM 485 CG1 ILE A 37 -0.728 0.906 2.331 1.00 0.00 C ATOM 486 CG2 ILE A 37 -1.431 -1.123 3.611 1.00 0.00 C ATOM 487 CD1 ILE A 37 -0.588 0.216 0.972 1.00 0.00 C ATOM 0 H ILE A 37 -1.930 1.727 4.239 1.00 0.00 H new ATOM 0 HA ILE A 37 0.153 0.024 5.583 1.00 0.00 H new ATOM 0 HB ILE A 37 0.607 -0.558 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.755 1.242 2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.095 1.792 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.567 -1.660 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.146 -1.826 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.364 -0.632 3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.870 0.910 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.446 -0.098 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.240 -0.657 0.938 1.00 0.00 H new ATOM 499 N GLU A 38 0.732 2.978 4.901 1.00 0.00 N ATOM 500 CA GLU A 38 1.824 4.005 4.806 1.00 0.00 C ATOM 501 C GLU A 38 2.960 3.673 5.784 1.00 0.00 C ATOM 502 O GLU A 38 4.115 3.942 5.514 1.00 0.00 O ATOM 503 CB GLU A 38 1.174 5.343 5.168 1.00 0.00 C ATOM 504 CG GLU A 38 0.445 5.903 3.943 1.00 0.00 C ATOM 505 CD GLU A 38 1.467 6.358 2.896 1.00 0.00 C ATOM 506 OE1 GLU A 38 2.551 6.760 3.287 1.00 0.00 O ATOM 507 OE2 GLU A 38 1.148 6.297 1.720 1.00 0.00 O ATOM 0 H GLU A 38 -0.183 3.340 5.170 1.00 0.00 H new ATOM 0 HA GLU A 38 2.262 4.033 3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.473 5.208 5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.933 6.048 5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.210 5.142 3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.187 6.741 4.236 1.00 0.00 H new ATOM 514 N HIS A 39 2.638 3.092 6.913 1.00 0.00 N ATOM 515 CA HIS A 39 3.698 2.741 7.911 1.00 0.00 C ATOM 516 C HIS A 39 4.166 1.293 7.712 1.00 0.00 C ATOM 517 O HIS A 39 5.260 0.928 8.099 1.00 0.00 O ATOM 518 CB HIS A 39 3.022 2.887 9.277 1.00 0.00 C ATOM 519 CG HIS A 39 2.653 4.325 9.512 1.00 0.00 C ATOM 520 ND1 HIS A 39 3.574 5.263 9.949 1.00 0.00 N ATOM 521 CD2 HIS A 39 1.464 4.998 9.385 1.00 0.00 C ATOM 522 CE1 HIS A 39 2.931 6.439 10.070 1.00 0.00 C ATOM 523 NE2 HIS A 39 1.641 6.333 9.739 1.00 0.00 N ATOM 0 H HIS A 39 1.687 2.845 7.188 1.00 0.00 H new ATOM 0 HA HIS A 39 4.576 3.379 7.811 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.130 2.262 9.320 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.693 2.541 10.064 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.532 4.559 9.060 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.400 7.356 10.395 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.937 7.071 9.744 1.00 0.00 H new ATOM 531 N TYR A 40 3.338 0.467 7.122 1.00 0.00 N ATOM 532 CA TYR A 40 3.721 -0.964 6.906 1.00 0.00 C ATOM 533 C TYR A 40 4.996 -1.066 6.067 1.00 0.00 C ATOM 534 O TYR A 40 5.213 -0.300 5.148 1.00 0.00 O ATOM 535 CB TYR A 40 2.543 -1.590 6.157 1.00 0.00 C ATOM 536 CG TYR A 40 1.488 -2.020 7.146 1.00 0.00 C ATOM 537 CD1 TYR A 40 0.655 -1.069 7.745 1.00 0.00 C ATOM 538 CD2 TYR A 40 1.347 -3.374 7.467 1.00 0.00 C ATOM 539 CE1 TYR A 40 -0.319 -1.472 8.665 1.00 0.00 C ATOM 540 CE2 TYR A 40 0.375 -3.779 8.388 1.00 0.00 C ATOM 541 CZ TYR A 40 -0.459 -2.828 8.987 1.00 0.00 C ATOM 542 OH TYR A 40 -1.418 -3.225 9.894 1.00 0.00 O ATOM 0 H TYR A 40 2.412 0.722 6.780 1.00 0.00 H new ATOM 0 HA TYR A 40 3.924 -1.471 7.849 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.124 -0.872 5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.882 -2.447 5.576 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.764 -0.023 7.497 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.989 -4.108 7.003 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.963 -0.738 9.127 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.268 -4.825 8.637 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.382 -4.198 10.003 1.00 0.00 H new ATOM 552 N SER A 41 5.833 -2.021 6.381 1.00 0.00 N ATOM 553 CA SER A 41 7.097 -2.207 5.614 1.00 0.00 C ATOM 554 C SER A 41 6.901 -3.331 4.602 1.00 0.00 C ATOM 555 O SER A 41 5.861 -3.954 4.568 1.00 0.00 O ATOM 556 CB SER A 41 8.144 -2.596 6.657 1.00 0.00 C ATOM 557 OG SER A 41 8.367 -1.498 7.531 1.00 0.00 O ATOM 0 H SER A 41 5.692 -2.685 7.143 1.00 0.00 H new ATOM 0 HA SER A 41 7.397 -1.315 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.805 -3.463 7.223 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.075 -2.880 6.166 1.00 0.00 H new ATOM 0 HG SER A 41 9.037 -1.745 8.202 1.00 0.00 H new ATOM 563 N MET A 42 7.880 -3.592 3.776 1.00 0.00 N ATOM 564 CA MET A 42 7.733 -4.684 2.762 1.00 0.00 C ATOM 565 C MET A 42 7.487 -6.030 3.464 1.00 0.00 C ATOM 566 O MET A 42 6.646 -6.808 3.060 1.00 0.00 O ATOM 567 CB MET A 42 9.067 -4.705 2.012 1.00 0.00 C ATOM 568 CG MET A 42 9.214 -3.414 1.204 1.00 0.00 C ATOM 569 SD MET A 42 10.790 -3.426 0.311 1.00 0.00 S ATOM 570 CE MET A 42 10.366 -4.718 -0.883 1.00 0.00 C ATOM 0 H MET A 42 8.773 -3.100 3.758 1.00 0.00 H new ATOM 0 HA MET A 42 6.890 -4.518 2.092 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.892 -4.802 2.717 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.111 -5.569 1.349 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.387 -3.318 0.500 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.168 -2.551 1.868 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.033 -4.652 -1.742 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.473 -5.696 -0.414 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.336 -4.585 -1.213 1.00 0.00 H new ATOM 580 N ASP A 43 8.211 -6.294 4.520 1.00 0.00 N ATOM 581 CA ASP A 43 8.033 -7.582 5.267 1.00 0.00 C ATOM 582 C ASP A 43 6.609 -7.688 5.818 1.00 0.00 C ATOM 583 O ASP A 43 5.998 -8.740 5.803 1.00 0.00 O ATOM 584 CB ASP A 43 9.037 -7.515 6.420 1.00 0.00 C ATOM 585 CG ASP A 43 10.459 -7.615 5.868 1.00 0.00 C ATOM 586 OD1 ASP A 43 10.682 -8.454 5.010 1.00 0.00 O ATOM 587 OD2 ASP A 43 11.298 -6.847 6.307 1.00 0.00 O ATOM 0 H ASP A 43 8.923 -5.671 4.902 1.00 0.00 H new ATOM 0 HA ASP A 43 8.195 -8.449 4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.914 -6.581 6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.852 -8.326 7.125 1.00 0.00 H new ATOM 592 N ASP A 44 6.091 -6.597 6.304 1.00 0.00 N ATOM 593 CA ASP A 44 4.707 -6.595 6.868 1.00 0.00 C ATOM 594 C ASP A 44 3.693 -6.851 5.752 1.00 0.00 C ATOM 595 O ASP A 44 2.655 -7.451 5.965 1.00 0.00 O ATOM 596 CB ASP A 44 4.517 -5.201 7.467 1.00 0.00 C ATOM 597 CG ASP A 44 5.462 -5.025 8.657 1.00 0.00 C ATOM 598 OD1 ASP A 44 5.590 -5.959 9.430 1.00 0.00 O ATOM 599 OD2 ASP A 44 6.040 -3.958 8.774 1.00 0.00 O ATOM 0 H ASP A 44 6.569 -5.696 6.337 1.00 0.00 H new ATOM 0 HA ASP A 44 4.562 -7.373 7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.718 -4.439 6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.483 -5.069 7.787 1.00 0.00 H new ATOM 604 N LEU A 45 3.990 -6.390 4.567 1.00 0.00 N ATOM 605 CA LEU A 45 3.055 -6.587 3.418 1.00 0.00 C ATOM 606 C LEU A 45 2.967 -8.076 3.050 1.00 0.00 C ATOM 607 O LEU A 45 1.903 -8.578 2.741 1.00 0.00 O ATOM 608 CB LEU A 45 3.649 -5.775 2.266 1.00 0.00 C ATOM 609 CG LEU A 45 2.711 -5.852 1.058 1.00 0.00 C ATOM 610 CD1 LEU A 45 1.403 -5.128 1.389 1.00 0.00 C ATOM 611 CD2 LEU A 45 3.373 -5.187 -0.157 1.00 0.00 C ATOM 0 H LEU A 45 4.845 -5.882 4.343 1.00 0.00 H new ATOM 0 HA LEU A 45 2.042 -6.262 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.786 -4.737 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.633 -6.162 2.002 1.00 0.00 H new ATOM 0 HG LEU A 45 2.504 -6.896 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.731 -5.180 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.931 -5.604 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.614 -4.084 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.702 -5.244 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.583 -4.142 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.305 -5.702 -0.391 1.00 0.00 H new ATOM 623 N ALA A 46 4.075 -8.785 3.077 1.00 0.00 N ATOM 624 CA ALA A 46 4.047 -10.243 2.721 1.00 0.00 C ATOM 625 C ALA A 46 3.039 -10.987 3.607 1.00 0.00 C ATOM 626 O ALA A 46 2.213 -11.736 3.122 1.00 0.00 O ATOM 627 CB ALA A 46 5.466 -10.752 2.989 1.00 0.00 C ATOM 0 H ALA A 46 4.993 -8.419 3.329 1.00 0.00 H new ATOM 0 HA ALA A 46 3.745 -10.404 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.523 -11.814 2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.173 -10.203 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.714 -10.602 4.040 1.00 0.00 H new ATOM 633 N SER A 47 3.106 -10.794 4.905 1.00 0.00 N ATOM 634 CA SER A 47 2.157 -11.501 5.833 1.00 0.00 C ATOM 635 C SER A 47 0.703 -11.312 5.375 1.00 0.00 C ATOM 636 O SER A 47 -0.158 -12.116 5.677 1.00 0.00 O ATOM 637 CB SER A 47 2.374 -10.851 7.199 1.00 0.00 C ATOM 638 OG SER A 47 1.919 -9.506 7.158 1.00 0.00 O ATOM 0 H SER A 47 3.777 -10.177 5.364 1.00 0.00 H new ATOM 0 HA SER A 47 2.340 -12.575 5.856 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.836 -11.406 7.968 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.431 -10.881 7.465 1.00 0.00 H new ATOM 0 HG SER A 47 2.449 -9.001 6.506 1.00 0.00 H new ATOM 644 N LEU A 48 0.427 -10.259 4.641 1.00 0.00 N ATOM 645 CA LEU A 48 -0.972 -10.008 4.149 1.00 0.00 C ATOM 646 C LEU A 48 -1.341 -10.914 2.949 1.00 0.00 C ATOM 647 O LEU A 48 -2.320 -10.672 2.278 1.00 0.00 O ATOM 648 CB LEU A 48 -0.962 -8.550 3.709 1.00 0.00 C ATOM 649 CG LEU A 48 -2.329 -7.916 3.980 1.00 0.00 C ATOM 650 CD1 LEU A 48 -2.419 -7.477 5.449 1.00 0.00 C ATOM 651 CD2 LEU A 48 -2.512 -6.702 3.064 1.00 0.00 C ATOM 0 H LEU A 48 1.112 -9.558 4.359 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.707 -10.224 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.185 -8.004 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.724 -8.483 2.647 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.114 -8.646 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.394 -7.027 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.290 -8.344 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.637 -6.748 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.484 -6.247 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.726 -5.974 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.457 -7.020 2.023 1.00 0.00 H new ATOM 663 N LYS A 49 -0.550 -11.942 2.695 1.00 0.00 N ATOM 664 CA LYS A 49 -0.771 -12.926 1.570 1.00 0.00 C ATOM 665 C LYS A 49 -0.300 -12.369 0.226 1.00 0.00 C ATOM 666 O LYS A 49 -0.364 -13.056 -0.776 1.00 0.00 O ATOM 667 CB LYS A 49 -2.272 -13.267 1.501 1.00 0.00 C ATOM 668 CG LYS A 49 -2.757 -13.754 2.865 1.00 0.00 C ATOM 669 CD LYS A 49 -4.236 -14.138 2.771 1.00 0.00 C ATOM 670 CE LYS A 49 -4.721 -14.645 4.133 1.00 0.00 C ATOM 671 NZ LYS A 49 -6.205 -14.735 4.012 1.00 0.00 N ATOM 0 H LYS A 49 0.280 -12.147 3.251 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.184 -13.822 1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.840 -12.388 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.445 -14.036 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.167 -14.612 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.619 -12.973 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.827 -13.276 2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.375 -14.910 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.286 -15.616 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.432 -13.963 4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.606 -15.076 4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.593 -13.795 3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.452 -15.397 3.249 1.00 0.00 H new ATOM 685 N ILE A 50 0.201 -11.158 0.184 1.00 0.00 N ATOM 686 CA ILE A 50 0.703 -10.612 -1.110 1.00 0.00 C ATOM 687 C ILE A 50 2.091 -11.201 -1.411 1.00 0.00 C ATOM 688 O ILE A 50 2.949 -11.208 -0.548 1.00 0.00 O ATOM 689 CB ILE A 50 0.775 -9.095 -0.912 1.00 0.00 C ATOM 690 CG1 ILE A 50 -0.630 -8.558 -0.630 1.00 0.00 C ATOM 691 CG2 ILE A 50 1.321 -8.435 -2.182 1.00 0.00 C ATOM 692 CD1 ILE A 50 -0.528 -7.213 0.085 1.00 0.00 C ATOM 0 H ILE A 50 0.283 -10.531 0.984 1.00 0.00 H new ATOM 0 HA ILE A 50 0.059 -10.866 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 50 1.434 -8.869 -0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.181 -8.445 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.185 -9.267 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.371 -7.356 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.319 -8.820 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.662 -8.659 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.529 -6.831 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.007 -7.341 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.011 -6.506 -0.546 1.00 0.00 H new ATOM 704 N PRO A 51 2.274 -11.665 -2.625 1.00 0.00 N ATOM 705 CA PRO A 51 3.611 -12.232 -2.975 1.00 0.00 C ATOM 706 C PRO A 51 4.656 -11.112 -2.984 1.00 0.00 C ATOM 707 O PRO A 51 4.328 -9.959 -3.197 1.00 0.00 O ATOM 708 CB PRO A 51 3.414 -12.814 -4.372 1.00 0.00 C ATOM 709 CG PRO A 51 2.272 -12.046 -4.941 1.00 0.00 C ATOM 710 CD PRO A 51 1.374 -11.694 -3.791 1.00 0.00 C ATOM 0 HA PRO A 51 3.963 -12.983 -2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.311 -12.699 -4.980 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.193 -13.880 -4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.624 -11.147 -5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.737 -12.640 -5.682 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.890 -10.729 -3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.582 -12.432 -3.664 1.00 0.00 H new ATOM 718 N GLU A 52 5.908 -11.427 -2.744 1.00 0.00 N ATOM 719 CA GLU A 52 6.962 -10.364 -2.726 1.00 0.00 C ATOM 720 C GLU A 52 7.162 -9.747 -4.112 1.00 0.00 C ATOM 721 O GLU A 52 7.762 -8.695 -4.240 1.00 0.00 O ATOM 722 CB GLU A 52 8.246 -11.057 -2.253 1.00 0.00 C ATOM 723 CG GLU A 52 8.629 -12.181 -3.224 1.00 0.00 C ATOM 724 CD GLU A 52 9.928 -12.863 -2.771 1.00 0.00 C ATOM 725 OE1 GLU A 52 10.602 -12.319 -1.908 1.00 0.00 O ATOM 726 OE2 GLU A 52 10.231 -13.916 -3.306 1.00 0.00 O ATOM 0 H GLU A 52 6.244 -12.372 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 52 6.677 -9.544 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.057 -10.331 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.101 -11.464 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.825 -12.915 -3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.755 -11.775 -4.228 1.00 0.00 H new ATOM 733 N GLN A 53 6.671 -10.376 -5.148 1.00 0.00 N ATOM 734 CA GLN A 53 6.843 -9.806 -6.521 1.00 0.00 C ATOM 735 C GLN A 53 6.188 -8.422 -6.592 1.00 0.00 C ATOM 736 O GLN A 53 6.702 -7.504 -7.212 1.00 0.00 O ATOM 737 CB GLN A 53 6.130 -10.795 -7.453 1.00 0.00 C ATOM 738 CG GLN A 53 6.186 -10.281 -8.897 1.00 0.00 C ATOM 739 CD GLN A 53 6.575 -11.422 -9.840 1.00 0.00 C ATOM 740 OE1 GLN A 53 7.571 -12.086 -9.629 1.00 0.00 O ATOM 741 NE2 GLN A 53 5.827 -11.678 -10.876 1.00 0.00 N ATOM 0 H GLN A 53 6.159 -11.257 -5.105 1.00 0.00 H new ATOM 0 HA GLN A 53 7.890 -9.679 -6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.602 -11.775 -7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.093 -10.919 -7.142 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.217 -9.873 -9.185 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.909 -9.469 -8.976 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.991 -11.120 -11.052 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.077 -12.436 -11.511 1.00 0.00 H new ATOM 750 N PHE A 54 5.078 -8.262 -5.933 1.00 0.00 N ATOM 751 CA PHE A 54 4.389 -6.943 -5.925 1.00 0.00 C ATOM 752 C PHE A 54 4.699 -6.180 -4.624 1.00 0.00 C ATOM 753 O PHE A 54 4.187 -5.101 -4.407 1.00 0.00 O ATOM 754 CB PHE A 54 2.902 -7.281 -6.019 1.00 0.00 C ATOM 755 CG PHE A 54 2.607 -7.864 -7.382 1.00 0.00 C ATOM 756 CD1 PHE A 54 2.775 -9.235 -7.607 1.00 0.00 C ATOM 757 CD2 PHE A 54 2.170 -7.035 -8.423 1.00 0.00 C ATOM 758 CE1 PHE A 54 2.508 -9.778 -8.868 1.00 0.00 C ATOM 759 CE2 PHE A 54 1.901 -7.579 -9.686 1.00 0.00 C ATOM 760 CZ PHE A 54 2.070 -8.951 -9.908 1.00 0.00 C ATOM 0 H PHE A 54 4.614 -8.994 -5.395 1.00 0.00 H new ATOM 0 HA PHE A 54 4.714 -6.300 -6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.629 -7.993 -5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.303 -6.385 -5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.112 -9.875 -6.805 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.040 -5.976 -8.252 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.640 -10.836 -9.039 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.563 -6.940 -10.488 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.862 -9.371 -10.881 1.00 0.00 H new ATOM 770 N ARG A 55 5.536 -6.721 -3.759 1.00 0.00 N ATOM 771 CA ARG A 55 5.875 -5.995 -2.495 1.00 0.00 C ATOM 772 C ARG A 55 6.745 -4.776 -2.807 1.00 0.00 C ATOM 773 O ARG A 55 6.482 -3.682 -2.343 1.00 0.00 O ATOM 774 CB ARG A 55 6.643 -6.994 -1.619 1.00 0.00 C ATOM 775 CG ARG A 55 5.661 -7.756 -0.709 1.00 0.00 C ATOM 776 CD ARG A 55 6.413 -8.642 0.314 1.00 0.00 C ATOM 777 NE ARG A 55 7.507 -7.801 0.881 1.00 0.00 N ATOM 778 CZ ARG A 55 8.691 -8.316 1.073 1.00 0.00 C ATOM 779 NH1 ARG A 55 8.909 -9.085 2.104 1.00 0.00 N ATOM 780 NH2 ARG A 55 9.655 -8.064 0.231 1.00 0.00 N ATOM 0 H ARG A 55 5.992 -7.626 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 55 4.980 -5.635 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.190 -7.697 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.380 -6.468 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.026 -7.045 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.005 -8.377 -1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.740 -8.984 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.818 -9.532 -0.168 1.00 0.00 H new ATOM 0 HE ARG A 55 7.330 -6.825 1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.154 -9.284 2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.834 -9.487 2.254 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.483 -7.465 -0.577 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.581 -8.466 0.380 1.00 0.00 H new ATOM 794 N HIS A 56 7.773 -4.957 -3.598 1.00 0.00 N ATOM 795 CA HIS A 56 8.658 -3.807 -3.950 1.00 0.00 C ATOM 796 C HIS A 56 8.032 -2.994 -5.085 1.00 0.00 C ATOM 797 O HIS A 56 8.239 -1.800 -5.193 1.00 0.00 O ATOM 798 CB HIS A 56 9.993 -4.430 -4.387 1.00 0.00 C ATOM 799 CG HIS A 56 9.784 -5.343 -5.568 1.00 0.00 C ATOM 800 ND1 HIS A 56 9.597 -5.085 -6.904 1.00 0.00 N flip ATOM 801 CD2 HIS A 56 9.751 -6.722 -5.440 1.00 0.00 C flip ATOM 802 CE1 HIS A 56 9.450 -6.285 -7.595 1.00 0.00 C flip ATOM 803 NE2 HIS A 56 9.550 -7.239 -6.667 1.00 0.00 N flip ATOM 0 H HIS A 56 8.036 -5.850 -4.014 1.00 0.00 H new ATOM 0 HA HIS A 56 8.799 -3.124 -3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.701 -3.643 -4.648 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.429 -4.989 -3.559 1.00 0.00 H new ATOM 0 HD1 HIS A 56 9.570 -4.157 -7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.866 -7.281 -4.523 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.289 -6.416 -8.655 1.00 0.00 H new ATOM 811 N ALA A 57 7.262 -3.637 -5.930 1.00 0.00 N ATOM 812 CA ALA A 57 6.616 -2.903 -7.061 1.00 0.00 C ATOM 813 C ALA A 57 5.611 -1.868 -6.535 1.00 0.00 C ATOM 814 O ALA A 57 5.597 -0.730 -6.965 1.00 0.00 O ATOM 815 CB ALA A 57 5.891 -3.981 -7.871 1.00 0.00 C ATOM 0 H ALA A 57 7.054 -4.635 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 57 7.346 -2.357 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.390 -3.521 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.613 -4.715 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.153 -4.476 -7.240 1.00 0.00 H new ATOM 821 N ILE A 58 4.766 -2.265 -5.618 1.00 0.00 N ATOM 822 CA ILE A 58 3.743 -1.320 -5.062 1.00 0.00 C ATOM 823 C ILE A 58 4.376 -0.329 -4.073 1.00 0.00 C ATOM 824 O ILE A 58 4.025 0.836 -4.046 1.00 0.00 O ATOM 825 CB ILE A 58 2.716 -2.224 -4.362 1.00 0.00 C ATOM 826 CG1 ILE A 58 2.079 -3.156 -5.398 1.00 0.00 C ATOM 827 CG2 ILE A 58 1.617 -1.379 -3.707 1.00 0.00 C ATOM 828 CD1 ILE A 58 1.245 -4.222 -4.686 1.00 0.00 C ATOM 0 H ILE A 58 4.738 -3.207 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 58 3.288 -0.707 -5.840 1.00 0.00 H new ATOM 0 HB ILE A 58 3.224 -2.805 -3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.450 -2.583 -6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.854 -3.629 -6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.898 -2.035 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.062 -0.711 -2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.108 -0.789 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.793 -4.884 -5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.886 -4.803 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.461 -3.740 -4.102 1.00 0.00 H new ATOM 840 N TRP A 59 5.283 -0.787 -3.248 1.00 0.00 N ATOM 841 CA TRP A 59 5.916 0.124 -2.241 1.00 0.00 C ATOM 842 C TRP A 59 6.637 1.287 -2.932 1.00 0.00 C ATOM 843 O TRP A 59 6.658 2.395 -2.430 1.00 0.00 O ATOM 844 CB TRP A 59 6.911 -0.743 -1.468 1.00 0.00 C ATOM 845 CG TRP A 59 7.242 -0.073 -0.172 1.00 0.00 C ATOM 846 CD1 TRP A 59 6.355 0.180 0.817 1.00 0.00 C ATOM 847 CD2 TRP A 59 8.528 0.432 0.292 1.00 0.00 C ATOM 848 NE1 TRP A 59 7.013 0.809 1.859 1.00 0.00 N ATOM 849 CE2 TRP A 59 8.353 0.986 1.583 1.00 0.00 C ATOM 850 CE3 TRP A 59 9.814 0.463 -0.275 1.00 0.00 C ATOM 851 CZ2 TRP A 59 9.418 1.550 2.287 1.00 0.00 C ATOM 852 CZ3 TRP A 59 10.888 1.031 0.431 1.00 0.00 C ATOM 853 CH2 TRP A 59 10.690 1.573 1.709 1.00 0.00 C ATOM 0 H TRP A 59 5.614 -1.752 -3.227 1.00 0.00 H new ATOM 0 HA TRP A 59 5.170 0.568 -1.582 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.486 -1.729 -1.283 1.00 0.00 H new ATOM 0 HB3 TRP A 59 7.816 -0.891 -2.056 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.304 -0.068 0.797 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.563 1.105 2.725 1.00 0.00 H new ATOM 0 HE3 TRP A 59 9.977 0.048 -1.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.260 1.966 3.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 11.872 1.050 -0.013 1.00 0.00 H new ATOM 0 HH2 TRP A 59 11.520 2.008 2.246 1.00 0.00 H new ATOM 864 N LYS A 60 7.240 1.040 -4.066 1.00 0.00 N ATOM 865 CA LYS A 60 7.978 2.130 -4.780 1.00 0.00 C ATOM 866 C LYS A 60 7.035 3.288 -5.134 1.00 0.00 C ATOM 867 O LYS A 60 7.400 4.443 -5.028 1.00 0.00 O ATOM 868 CB LYS A 60 8.523 1.481 -6.053 1.00 0.00 C ATOM 869 CG LYS A 60 9.393 2.488 -6.807 1.00 0.00 C ATOM 870 CD LYS A 60 9.746 1.929 -8.186 1.00 0.00 C ATOM 871 CE LYS A 60 10.707 0.747 -8.028 1.00 0.00 C ATOM 872 NZ LYS A 60 11.278 0.524 -9.388 1.00 0.00 N ATOM 0 H LYS A 60 7.255 0.132 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 60 8.771 2.550 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.108 0.596 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.700 1.150 -6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.863 3.435 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.303 2.693 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.841 1.609 -8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.205 2.705 -8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.490 0.970 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.185 -0.140 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.947 -0.272 -9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.511 0.306 -10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.776 1.382 -9.701 1.00 0.00 H new ATOM 886 N GLY A 61 5.830 2.992 -5.556 1.00 0.00 N ATOM 887 CA GLY A 61 4.866 4.076 -5.918 1.00 0.00 C ATOM 888 C GLY A 61 4.492 4.882 -4.670 1.00 0.00 C ATOM 889 O GLY A 61 4.192 6.059 -4.747 1.00 0.00 O ATOM 0 H GLY A 61 5.472 2.043 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.309 4.733 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.970 3.644 -6.364 1.00 0.00 H new ATOM 893 N ILE A 62 4.499 4.251 -3.524 1.00 0.00 N ATOM 894 CA ILE A 62 4.133 4.967 -2.262 1.00 0.00 C ATOM 895 C ILE A 62 5.162 6.058 -1.942 1.00 0.00 C ATOM 896 O ILE A 62 4.812 7.114 -1.452 1.00 0.00 O ATOM 897 CB ILE A 62 4.115 3.891 -1.169 1.00 0.00 C ATOM 898 CG1 ILE A 62 3.052 2.842 -1.510 1.00 0.00 C ATOM 899 CG2 ILE A 62 3.779 4.529 0.185 1.00 0.00 C ATOM 900 CD1 ILE A 62 3.125 1.692 -0.504 1.00 0.00 C ATOM 0 H ILE A 62 4.743 3.268 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 62 3.168 5.467 -2.345 1.00 0.00 H new ATOM 0 HB ILE A 62 5.096 3.420 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.060 3.294 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.209 2.465 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.768 3.760 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.531 5.279 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.799 5.003 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.368 0.947 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.113 1.233 -0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.946 2.075 0.501 1.00 0.00 H new ATOM 912 N LEU A 63 6.424 5.811 -2.197 1.00 0.00 N ATOM 913 CA LEU A 63 7.464 6.843 -1.885 1.00 0.00 C ATOM 914 C LEU A 63 7.180 8.128 -2.668 1.00 0.00 C ATOM 915 O LEU A 63 7.161 9.204 -2.108 1.00 0.00 O ATOM 916 CB LEU A 63 8.794 6.229 -2.327 1.00 0.00 C ATOM 917 CG LEU A 63 9.165 5.081 -1.388 1.00 0.00 C ATOM 918 CD1 LEU A 63 10.428 4.390 -1.902 1.00 0.00 C ATOM 919 CD2 LEU A 63 9.422 5.630 0.018 1.00 0.00 C ATOM 0 H LEU A 63 6.778 4.946 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 63 7.475 7.106 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.715 5.864 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.577 6.987 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 63 8.345 4.364 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.693 3.571 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.246 3.997 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.247 5.109 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.686 4.810 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.241 6.349 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.522 6.122 0.386 1.00 0.00 H new ATOM 931 N ASP A 64 6.953 8.022 -3.953 1.00 0.00 N ATOM 932 CA ASP A 64 6.658 9.240 -4.772 1.00 0.00 C ATOM 933 C ASP A 64 5.401 9.937 -4.245 1.00 0.00 C ATOM 934 O ASP A 64 5.315 11.150 -4.223 1.00 0.00 O ATOM 935 CB ASP A 64 6.432 8.733 -6.200 1.00 0.00 C ATOM 936 CG ASP A 64 7.757 8.243 -6.791 1.00 0.00 C ATOM 937 OD1 ASP A 64 8.790 8.767 -6.405 1.00 0.00 O ATOM 938 OD2 ASP A 64 7.715 7.355 -7.627 1.00 0.00 O ATOM 0 H ASP A 64 6.959 7.144 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 64 7.470 9.966 -4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.703 7.923 -6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.020 9.531 -6.818 1.00 0.00 H new ATOM 943 N HIS A 65 4.425 9.172 -3.824 1.00 0.00 N ATOM 944 CA HIS A 65 3.156 9.774 -3.301 1.00 0.00 C ATOM 945 C HIS A 65 3.440 10.665 -2.086 1.00 0.00 C ATOM 946 O HIS A 65 2.855 11.716 -1.930 1.00 0.00 O ATOM 947 CB HIS A 65 2.299 8.569 -2.887 1.00 0.00 C ATOM 948 CG HIS A 65 0.979 9.038 -2.337 1.00 0.00 C ATOM 949 ND1 HIS A 65 0.076 9.764 -3.097 1.00 0.00 N ATOM 950 CD2 HIS A 65 0.401 8.898 -1.098 1.00 0.00 C ATOM 951 CE1 HIS A 65 -0.985 10.035 -2.315 1.00 0.00 C ATOM 952 NE2 HIS A 65 -0.839 9.530 -1.087 1.00 0.00 N ATOM 0 H HIS A 65 4.451 8.152 -3.819 1.00 0.00 H new ATOM 0 HA HIS A 65 2.663 10.403 -4.042 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.134 7.918 -3.746 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.825 7.979 -2.137 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.842 8.377 -0.261 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.850 10.593 -2.641 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.495 9.594 -0.309 1.00 0.00 H new ATOM 960 N ARG A 66 4.323 10.245 -1.228 1.00 0.00 N ATOM 961 CA ARG A 66 4.652 11.058 -0.018 1.00 0.00 C ATOM 962 C ARG A 66 5.448 12.304 -0.385 1.00 0.00 C ATOM 963 O ARG A 66 5.270 13.358 0.197 1.00 0.00 O ATOM 964 CB ARG A 66 5.491 10.136 0.856 1.00 0.00 C ATOM 965 CG ARG A 66 4.584 9.047 1.396 1.00 0.00 C ATOM 966 CD ARG A 66 5.413 7.983 2.115 1.00 0.00 C ATOM 967 NE ARG A 66 5.880 8.637 3.369 1.00 0.00 N ATOM 968 CZ ARG A 66 5.727 8.030 4.513 1.00 0.00 C ATOM 969 NH1 ARG A 66 4.535 7.672 4.909 1.00 0.00 N ATOM 970 NH2 ARG A 66 6.765 7.777 5.260 1.00 0.00 N ATOM 0 H ARG A 66 4.837 9.368 -1.310 1.00 0.00 H new ATOM 0 HA ARG A 66 3.751 11.408 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.306 9.701 0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.944 10.695 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.855 9.477 2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.023 8.592 0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.816 7.097 2.331 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.254 7.658 1.503 1.00 0.00 H new ATOM 0 HE ARG A 66 6.318 9.557 3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.723 7.867 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.416 7.197 5.804 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.696 8.054 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.646 7.302 6.155 1.00 0.00 H new ATOM 984 N GLN A 67 6.365 12.175 -1.302 1.00 0.00 N ATOM 985 CA GLN A 67 7.230 13.330 -1.666 1.00 0.00 C ATOM 986 C GLN A 67 6.415 14.518 -2.189 1.00 0.00 C ATOM 987 O GLN A 67 6.715 15.655 -1.873 1.00 0.00 O ATOM 988 CB GLN A 67 8.160 12.798 -2.761 1.00 0.00 C ATOM 989 CG GLN A 67 9.147 11.798 -2.155 1.00 0.00 C ATOM 990 CD GLN A 67 10.009 11.191 -3.265 1.00 0.00 C ATOM 991 OE1 GLN A 67 10.391 11.873 -4.196 1.00 0.00 O ATOM 992 NE2 GLN A 67 10.336 9.929 -3.203 1.00 0.00 N ATOM 0 H GLN A 67 6.553 11.315 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 67 7.772 13.703 -0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.576 12.318 -3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.701 13.623 -3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.780 12.296 -1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.606 11.011 -1.629 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.015 9.357 -2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.912 9.515 -3.936 1.00 0.00 H new ATOM 1001 N LEU A 68 5.395 14.282 -2.986 1.00 0.00 N ATOM 1002 CA LEU A 68 4.594 15.435 -3.509 1.00 0.00 C ATOM 1003 C LEU A 68 3.768 16.062 -2.378 1.00 0.00 C ATOM 1004 O LEU A 68 3.510 17.251 -2.377 1.00 0.00 O ATOM 1005 CB LEU A 68 3.703 14.880 -4.634 1.00 0.00 C ATOM 1006 CG LEU A 68 2.702 13.861 -4.079 1.00 0.00 C ATOM 1007 CD1 LEU A 68 1.330 14.519 -3.918 1.00 0.00 C ATOM 1008 CD2 LEU A 68 2.578 12.682 -5.050 1.00 0.00 C ATOM 0 H LEU A 68 5.088 13.358 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 68 5.234 16.227 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.168 15.697 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.323 14.410 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 68 3.055 13.507 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.621 13.791 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.408 15.360 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.982 14.876 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.866 11.958 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.229 13.043 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.551 12.206 -5.170 1.00 0.00 H new ATOM 1020 N HIS A 69 3.370 15.275 -1.405 1.00 0.00 N ATOM 1021 CA HIS A 69 2.582 15.833 -0.263 1.00 0.00 C ATOM 1022 C HIS A 69 3.380 15.676 1.037 1.00 0.00 C ATOM 1023 O HIS A 69 3.563 14.581 1.533 1.00 0.00 O ATOM 1024 CB HIS A 69 1.300 14.999 -0.216 1.00 0.00 C ATOM 1025 CG HIS A 69 0.327 15.633 0.740 1.00 0.00 C ATOM 1026 ND1 HIS A 69 -0.044 16.965 0.639 1.00 0.00 N ATOM 1027 CD2 HIS A 69 -0.363 15.132 1.816 1.00 0.00 C ATOM 1028 CE1 HIS A 69 -0.921 17.217 1.629 1.00 0.00 C ATOM 1029 NE2 HIS A 69 -1.150 16.134 2.376 1.00 0.00 N ATOM 0 H HIS A 69 3.557 14.274 -1.354 1.00 0.00 H new ATOM 0 HA HIS A 69 2.364 16.894 -0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.859 14.933 -1.211 1.00 0.00 H new ATOM 0 HB3 HIS A 69 1.527 13.981 0.100 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.304 14.115 2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.383 18.178 1.798 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.769 16.058 3.183 1.00 0.00 H new ATOM 1037 N GLU A 70 3.865 16.764 1.580 1.00 0.00 N ATOM 1038 CA GLU A 70 4.670 16.687 2.840 1.00 0.00 C ATOM 1039 C GLU A 70 3.795 16.281 4.025 1.00 0.00 C ATOM 1040 O GLU A 70 4.199 15.509 4.874 1.00 0.00 O ATOM 1041 CB GLU A 70 5.233 18.098 3.042 1.00 0.00 C ATOM 1042 CG GLU A 70 6.156 18.117 4.266 1.00 0.00 C ATOM 1043 CD GLU A 70 7.358 17.186 4.044 1.00 0.00 C ATOM 1044 OE1 GLU A 70 7.592 16.796 2.910 1.00 0.00 O ATOM 1045 OE2 GLU A 70 8.027 16.879 5.017 1.00 0.00 O ATOM 0 H GLU A 70 3.739 17.704 1.205 1.00 0.00 H new ATOM 0 HA GLU A 70 5.458 15.937 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.784 18.411 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.418 18.809 3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.504 19.133 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.603 17.803 5.151 1.00 0.00 H new ATOM 1052 N PHE A 71 2.604 16.800 4.083 1.00 0.00 N ATOM 1053 CA PHE A 71 1.673 16.464 5.209 1.00 0.00 C ATOM 1054 C PHE A 71 0.296 17.084 4.956 1.00 0.00 C ATOM 1055 O PHE A 71 -0.660 16.805 5.652 1.00 0.00 O ATOM 1056 CB PHE A 71 2.313 17.071 6.465 1.00 0.00 C ATOM 1057 CG PHE A 71 1.481 16.733 7.681 1.00 0.00 C ATOM 1058 CD1 PHE A 71 0.449 17.591 8.084 1.00 0.00 C ATOM 1059 CD2 PHE A 71 1.744 15.565 8.406 1.00 0.00 C ATOM 1060 CE1 PHE A 71 -0.319 17.279 9.213 1.00 0.00 C ATOM 1061 CE2 PHE A 71 0.975 15.254 9.535 1.00 0.00 C ATOM 1062 CZ PHE A 71 -0.055 16.110 9.938 1.00 0.00 C ATOM 0 H PHE A 71 2.225 17.450 3.394 1.00 0.00 H new ATOM 0 HA PHE A 71 1.527 15.389 5.312 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.326 16.688 6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.392 18.153 6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.246 18.492 7.524 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.539 14.904 8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.115 17.940 9.524 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.178 14.353 10.094 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.647 15.870 10.809 1.00 0.00 H new TER 1072 PHE A 71