USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 10 GLN :FLIP amide:sc=-0.000283 F(o=-0.81,f=-0.00028) USER MOD Single : A 11 SER OG : rot 180:sc= 0.00123 USER MOD Single : A 12 SER OG : rot 180:sc= -0.289 USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.123) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 22 SER OG : rot 69:sc= 0.806 USER MOD Single : A 23 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.006) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 35 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.16) USER MOD Single : A 38 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 41 MET CE :methyl 156:sc= -0.224 (180deg=-0.904) USER MOD Single : A 42 GLN : amide:sc= -1.22 K(o=-1.2,f=-6!) USER MOD Single : A 43 SER OG : rot -108:sc= 1.28 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc=-0.000995 K(o=-0.00099,f=-0.97) USER MOD Single : A 49 GLN : amide:sc= -0.0989 K(o=-0.099,f=-1.1) USER MOD Single : A 52 SER OG : rot 91:sc= 1.28 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 57 SER OG : rot 90:sc= -0.111 USER MOD Single : A 61 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1.1) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 1.1 (180deg=0.986) USER MOD Single : A 66 THR OG1 : rot -88:sc= 1.02 USER MOD Single : A 74 MET CE :methyl -163:sc= -0.0723 (180deg=-0.478) USER MOD Single : A 75 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=-0.35) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -33:sc= 0.141 USER MOD Single : A 84 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.14) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N TRP A 6 -5.085 8.961 7.674 1.00 0.00 N ATOM 73 CA TRP A 6 -4.546 8.279 6.514 1.00 0.00 C ATOM 74 C TRP A 6 -5.456 8.586 5.330 1.00 0.00 C ATOM 75 O TRP A 6 -6.677 8.472 5.447 1.00 0.00 O ATOM 76 CB TRP A 6 -4.468 6.773 6.791 1.00 0.00 C ATOM 77 CG TRP A 6 -3.730 5.976 5.757 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.875 6.437 4.796 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.773 4.556 5.607 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.398 5.388 4.050 1.00 0.00 N ATOM 81 CE2 TRP A 6 -2.935 4.221 4.529 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.448 3.532 6.280 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.754 2.908 4.109 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.265 2.229 5.865 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.425 1.927 4.787 1.00 0.00 C ATOM 0 HA TRP A 6 -3.536 8.621 6.289 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -3.987 6.621 7.757 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.482 6.381 6.875 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.613 7.474 4.646 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.749 5.464 3.267 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.101 3.758 7.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.107 2.671 3.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.778 1.430 6.380 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.304 0.898 4.484 1.00 0.00 H new ATOM 96 N ALA A 7 -4.866 8.984 4.207 1.00 0.00 N ATOM 97 CA ALA A 7 -5.625 9.489 3.059 1.00 0.00 C ATOM 98 C ALA A 7 -6.389 8.391 2.303 1.00 0.00 C ATOM 99 O ALA A 7 -6.465 8.401 1.073 1.00 0.00 O ATOM 100 CB ALA A 7 -4.694 10.230 2.118 1.00 0.00 C ATOM 0 H ALA A 7 -3.856 8.968 4.064 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.381 10.169 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.261 10.604 1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.235 11.067 2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.916 9.552 1.767 1.00 0.00 H new ATOM 106 N VAL A 8 -6.965 7.463 3.043 1.00 0.00 N ATOM 107 CA VAL A 8 -7.848 6.463 2.477 1.00 0.00 C ATOM 108 C VAL A 8 -9.105 6.359 3.341 1.00 0.00 C ATOM 109 O VAL A 8 -9.011 6.214 4.565 1.00 0.00 O ATOM 110 CB VAL A 8 -7.153 5.082 2.347 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.697 4.556 3.701 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.067 4.080 1.654 1.00 0.00 C ATOM 0 H VAL A 8 -6.834 7.382 4.051 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.120 6.773 1.468 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.264 5.217 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.215 3.587 3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.990 5.257 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.560 4.447 4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.559 3.119 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.982 3.960 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.316 4.443 0.657 1.00 0.00 H new ATOM 122 N PRO A 9 -10.293 6.482 2.720 1.00 0.00 N ATOM 123 CA PRO A 9 -11.573 6.446 3.435 1.00 0.00 C ATOM 124 C PRO A 9 -11.671 5.268 4.393 1.00 0.00 C ATOM 125 O PRO A 9 -11.340 4.136 4.039 1.00 0.00 O ATOM 126 CB PRO A 9 -12.601 6.315 2.312 1.00 0.00 C ATOM 127 CG PRO A 9 -11.954 6.965 1.140 1.00 0.00 C ATOM 128 CD PRO A 9 -10.481 6.685 1.270 1.00 0.00 C ATOM 0 HA PRO A 9 -11.716 7.327 4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.835 5.270 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.538 6.807 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.346 6.564 0.206 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.148 8.038 1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.189 5.803 0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.881 7.516 0.900 1.00 0.00 H new ATOM 136 N GLN A 10 -12.126 5.547 5.605 1.00 0.00 N ATOM 137 CA GLN A 10 -12.204 4.540 6.655 1.00 0.00 C ATOM 138 C GLN A 10 -13.116 3.387 6.242 1.00 0.00 C ATOM 139 O GLN A 10 -12.819 2.224 6.502 1.00 0.00 O ATOM 140 CB GLN A 10 -12.703 5.173 7.956 1.00 0.00 C ATOM 141 CG GLN A 10 -11.885 6.378 8.396 1.00 0.00 C ATOM 142 CD GLN A 10 -12.401 7.006 9.679 1.00 0.00 C ATOM 143 OE1 GLN A 10 -12.929 6.186 10.571 1.00 0.00 O flip ATOM 144 NE2 GLN A 10 -12.304 8.220 9.875 1.00 0.00 N flip ATOM 0 H GLN A 10 -12.450 6.472 5.888 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.204 4.138 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.742 5.476 7.828 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.685 4.423 8.747 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.848 6.075 8.538 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.893 7.126 7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.890 8.820 9.162 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.638 8.624 10.750 1.00 0.00 H new ATOM 153 N SER A 11 -14.218 3.713 5.580 1.00 0.00 N ATOM 154 CA SER A 11 -15.154 2.702 5.109 1.00 0.00 C ATOM 155 C SER A 11 -14.506 1.824 4.040 1.00 0.00 C ATOM 156 O SER A 11 -14.695 0.606 4.016 1.00 0.00 O ATOM 157 CB SER A 11 -16.402 3.384 4.550 1.00 0.00 C ATOM 158 OG SER A 11 -16.845 4.404 5.428 1.00 0.00 O ATOM 0 H SER A 11 -14.486 4.672 5.357 1.00 0.00 H new ATOM 0 HA SER A 11 -15.436 2.064 5.946 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.184 3.809 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.194 2.648 4.409 1.00 0.00 H new ATOM 0 HG SER A 11 -17.644 4.832 5.055 1.00 0.00 H new ATOM 164 N SER A 12 -13.719 2.448 3.171 1.00 0.00 N ATOM 165 CA SER A 12 -13.064 1.741 2.084 1.00 0.00 C ATOM 166 C SER A 12 -11.902 0.902 2.603 1.00 0.00 C ATOM 167 O SER A 12 -11.715 -0.240 2.180 1.00 0.00 O ATOM 168 CB SER A 12 -12.569 2.738 1.039 1.00 0.00 C ATOM 169 OG SER A 12 -13.621 3.583 0.612 1.00 0.00 O ATOM 0 H SER A 12 -13.520 3.448 3.201 1.00 0.00 H new ATOM 0 HA SER A 12 -13.788 1.069 1.623 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.761 3.339 1.457 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.158 2.201 0.184 1.00 0.00 H new ATOM 0 HG SER A 12 -13.282 4.215 -0.056 1.00 0.00 H new ATOM 175 N ARG A 13 -11.131 1.464 3.534 1.00 0.00 N ATOM 176 CA ARG A 13 -9.971 0.764 4.074 1.00 0.00 C ATOM 177 C ARG A 13 -10.405 -0.513 4.790 1.00 0.00 C ATOM 178 O ARG A 13 -9.709 -1.517 4.749 1.00 0.00 O ATOM 179 CB ARG A 13 -9.163 1.665 5.024 1.00 0.00 C ATOM 180 CG ARG A 13 -9.829 1.911 6.365 1.00 0.00 C ATOM 181 CD ARG A 13 -8.925 2.672 7.320 1.00 0.00 C ATOM 182 NE ARG A 13 -8.708 4.058 6.909 1.00 0.00 N ATOM 183 CZ ARG A 13 -8.290 5.011 7.741 1.00 0.00 C ATOM 184 NH1 ARG A 13 -8.109 4.731 9.028 1.00 0.00 N ATOM 185 NH2 ARG A 13 -8.079 6.240 7.293 1.00 0.00 N ATOM 0 H ARG A 13 -11.288 2.393 3.925 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.324 0.496 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.186 1.211 5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.989 2.624 4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.751 2.472 6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.107 0.956 6.812 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.364 2.658 8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.964 2.163 7.387 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.886 4.308 5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.290 3.789 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.789 5.458 9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.237 6.458 6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.759 6.968 7.932 1.00 0.00 H new ATOM 199 N LEU A 14 -11.572 -0.468 5.421 1.00 0.00 N ATOM 200 CA LEU A 14 -12.120 -1.622 6.115 1.00 0.00 C ATOM 201 C LEU A 14 -12.587 -2.685 5.124 1.00 0.00 C ATOM 202 O LEU A 14 -12.413 -3.885 5.349 1.00 0.00 O ATOM 203 CB LEU A 14 -13.288 -1.173 6.996 1.00 0.00 C ATOM 204 CG LEU A 14 -12.901 -0.420 8.273 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.144 -0.011 9.049 1.00 0.00 C ATOM 206 CD2 LEU A 14 -11.990 -1.275 9.141 1.00 0.00 C ATOM 0 H LEU A 14 -12.160 0.364 5.465 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.340 -2.062 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.943 -0.534 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.868 -2.052 7.276 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.360 0.482 7.989 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.850 0.523 9.953 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.762 0.638 8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.712 -0.901 9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.725 -0.724 10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.507 -2.194 9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.084 -1.520 8.587 1.00 0.00 H new ATOM 218 N LYS A 15 -13.159 -2.232 4.021 1.00 0.00 N ATOM 219 CA LYS A 15 -13.715 -3.125 3.017 1.00 0.00 C ATOM 220 C LYS A 15 -12.612 -3.869 2.269 1.00 0.00 C ATOM 221 O LYS A 15 -12.696 -5.078 2.066 1.00 0.00 O ATOM 222 CB LYS A 15 -14.574 -2.327 2.035 1.00 0.00 C ATOM 223 CG LYS A 15 -15.479 -3.191 1.179 1.00 0.00 C ATOM 224 CD LYS A 15 -16.305 -2.350 0.220 1.00 0.00 C ATOM 225 CE LYS A 15 -17.454 -3.147 -0.382 1.00 0.00 C ATOM 226 NZ LYS A 15 -16.997 -4.432 -0.970 1.00 0.00 N ATOM 0 H LYS A 15 -13.251 -1.241 3.797 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.336 -3.866 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.185 -1.617 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.921 -1.744 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.877 -3.903 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.142 -3.772 1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.701 -1.481 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.665 -1.974 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.199 -3.346 0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.944 -2.551 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.773 -4.860 -1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.188 -4.257 -1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.709 -5.079 -0.209 1.00 0.00 H new ATOM 240 N TYR A 16 -11.575 -3.151 1.864 1.00 0.00 N ATOM 241 CA TYR A 16 -10.483 -3.768 1.124 1.00 0.00 C ATOM 242 C TYR A 16 -9.454 -4.380 2.070 1.00 0.00 C ATOM 243 O TYR A 16 -8.558 -5.095 1.634 1.00 0.00 O ATOM 244 CB TYR A 16 -9.809 -2.755 0.191 1.00 0.00 C ATOM 245 CG TYR A 16 -10.749 -2.113 -0.807 1.00 0.00 C ATOM 246 CD1 TYR A 16 -11.462 -2.882 -1.719 1.00 0.00 C ATOM 247 CD2 TYR A 16 -10.924 -0.736 -0.837 1.00 0.00 C ATOM 248 CE1 TYR A 16 -12.322 -2.297 -2.631 1.00 0.00 C ATOM 249 CE2 TYR A 16 -11.782 -0.144 -1.744 1.00 0.00 C ATOM 250 CZ TYR A 16 -12.478 -0.928 -2.640 1.00 0.00 C ATOM 251 OH TYR A 16 -13.333 -0.338 -3.546 1.00 0.00 O ATOM 0 H TYR A 16 -11.466 -2.151 2.033 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.909 -4.567 0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.347 -1.973 0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.007 -3.255 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -11.343 -3.955 -1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.380 -0.117 -0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.868 -2.910 -3.332 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.907 0.929 -1.751 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.327 0.633 -3.417 1.00 0.00 H new ATOM 261 N ARG A 17 -9.575 -4.104 3.365 1.00 0.00 N ATOM 262 CA ARG A 17 -8.772 -4.813 4.356 1.00 0.00 C ATOM 263 C ARG A 17 -9.334 -6.210 4.526 1.00 0.00 C ATOM 264 O ARG A 17 -8.632 -7.130 4.910 1.00 0.00 O ATOM 265 CB ARG A 17 -8.752 -4.105 5.703 1.00 0.00 C ATOM 266 CG ARG A 17 -7.690 -4.664 6.630 1.00 0.00 C ATOM 267 CD ARG A 17 -7.760 -4.049 8.009 1.00 0.00 C ATOM 268 NE ARG A 17 -8.935 -4.509 8.750 1.00 0.00 N ATOM 269 CZ ARG A 17 -8.948 -4.743 10.064 1.00 0.00 C ATOM 270 NH1 ARG A 17 -7.845 -4.563 10.785 1.00 0.00 N ATOM 271 NH2 ARG A 17 -10.062 -5.162 10.658 1.00 0.00 N ATOM 0 H ARG A 17 -10.211 -3.405 3.749 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.744 -4.846 3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.574 -3.041 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.730 -4.199 6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.810 -5.745 6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.704 -4.483 6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.857 -4.301 8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.788 -2.963 7.922 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.799 -4.660 8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.987 -4.246 10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.857 -4.742 11.789 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.910 -5.305 10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.069 -5.340 11.662 1.00 0.00 H new ATOM 285 N GLN A 18 -10.620 -6.336 4.234 1.00 0.00 N ATOM 286 CA GLN A 18 -11.340 -7.600 4.272 1.00 0.00 C ATOM 287 C GLN A 18 -10.929 -8.510 3.115 1.00 0.00 C ATOM 288 O GLN A 18 -11.221 -9.699 3.103 1.00 0.00 O ATOM 289 CB GLN A 18 -12.826 -7.297 4.154 1.00 0.00 C ATOM 290 CG GLN A 18 -13.651 -7.774 5.327 1.00 0.00 C ATOM 291 CD GLN A 18 -15.141 -7.667 5.069 1.00 0.00 C ATOM 292 OE1 GLN A 18 -15.761 -8.593 4.547 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.722 -6.536 5.432 1.00 0.00 N ATOM 0 H GLN A 18 -11.204 -5.546 3.958 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.109 -8.112 5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.958 -6.221 4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.208 -7.759 3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.397 -8.811 5.548 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.395 -7.188 6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.170 -5.794 5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.723 -6.406 5.282 1.00 0.00 H new ATOM 302 N LEU A 19 -10.254 -7.924 2.151 1.00 0.00 N ATOM 303 CA LEU A 19 -9.952 -8.578 0.878 1.00 0.00 C ATOM 304 C LEU A 19 -8.784 -7.895 0.235 1.00 0.00 C ATOM 305 O LEU A 19 -8.799 -7.710 -0.977 1.00 0.00 O ATOM 306 CB LEU A 19 -11.113 -8.352 -0.063 1.00 0.00 C ATOM 307 CG LEU A 19 -11.261 -9.379 -1.184 1.00 0.00 C ATOM 308 CD1 LEU A 19 -11.785 -10.702 -0.650 1.00 0.00 C ATOM 309 CD2 LEU A 19 -12.154 -8.836 -2.289 1.00 0.00 C ATOM 0 H LEU A 19 -9.892 -6.973 2.220 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.756 -9.635 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.034 -8.341 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.008 -7.364 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.274 -9.567 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.880 -11.413 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.091 -11.095 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.760 -10.547 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.248 -9.581 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.140 -8.611 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.714 -7.926 -2.698 1.00 0.00 H new ATOM 321 N PHE A 20 -7.749 -7.545 0.967 1.00 0.00 N ATOM 322 CA PHE A 20 -6.878 -8.426 1.782 1.00 0.00 C ATOM 323 C PHE A 20 -7.490 -9.613 2.553 1.00 0.00 C ATOM 324 O PHE A 20 -7.391 -10.742 2.083 1.00 0.00 O ATOM 325 CB PHE A 20 -6.091 -7.550 2.754 1.00 0.00 C ATOM 326 CG PHE A 20 -4.912 -8.246 3.357 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.755 -8.421 2.620 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.957 -8.719 4.657 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.665 -9.060 3.166 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.869 -9.360 5.207 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.721 -9.527 4.460 1.00 0.00 C ATOM 0 H PHE A 20 -7.456 -6.570 1.026 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.277 -8.936 1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.749 -6.657 2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.755 -7.218 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.706 -8.053 1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.853 -8.584 5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.768 -9.195 2.581 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.914 -9.731 6.220 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.865 -10.025 4.891 1.00 0.00 H new ATOM 341 N ASN A 21 -8.119 -9.367 3.695 1.00 0.00 N ATOM 342 CA ASN A 21 -8.217 -10.360 4.793 1.00 0.00 C ATOM 343 C ASN A 21 -8.648 -11.773 4.371 1.00 0.00 C ATOM 344 O ASN A 21 -8.086 -12.745 4.873 1.00 0.00 O ATOM 345 CB ASN A 21 -9.171 -9.846 5.873 1.00 0.00 C ATOM 346 CG ASN A 21 -9.240 -10.749 7.088 1.00 0.00 C ATOM 347 OD1 ASN A 21 -10.062 -11.663 7.153 1.00 0.00 O ATOM 348 ND2 ASN A 21 -8.381 -10.503 8.062 1.00 0.00 N ATOM 0 H ASN A 21 -8.579 -8.480 3.900 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.199 -10.464 5.168 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.854 -8.851 6.185 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.169 -9.743 5.448 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.385 -11.080 8.903 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.714 -9.736 7.972 1.00 0.00 H new ATOM 355 N SER A 22 -9.619 -11.904 3.477 1.00 0.00 N ATOM 356 CA SER A 22 -10.079 -13.223 3.041 1.00 0.00 C ATOM 357 C SER A 22 -8.948 -14.044 2.406 1.00 0.00 C ATOM 358 O SER A 22 -8.981 -15.276 2.408 1.00 0.00 O ATOM 359 CB SER A 22 -11.227 -13.065 2.052 1.00 0.00 C ATOM 360 OG SER A 22 -12.294 -12.325 2.623 1.00 0.00 O ATOM 0 H SER A 22 -10.103 -11.120 3.040 1.00 0.00 H new ATOM 0 HA SER A 22 -10.422 -13.765 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.871 -12.561 1.154 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.585 -14.048 1.745 1.00 0.00 H new ATOM 0 HG SER A 22 -12.019 -11.392 2.741 1.00 0.00 H new ATOM 366 N HIS A 23 -7.940 -13.355 1.881 1.00 0.00 N ATOM 367 CA HIS A 23 -6.816 -14.017 1.228 1.00 0.00 C ATOM 368 C HIS A 23 -5.761 -14.444 2.243 1.00 0.00 C ATOM 369 O HIS A 23 -5.099 -15.467 2.068 1.00 0.00 O ATOM 370 CB HIS A 23 -6.189 -13.103 0.171 1.00 0.00 C ATOM 371 CG HIS A 23 -7.033 -12.933 -1.056 1.00 0.00 C ATOM 372 ND1 HIS A 23 -6.910 -13.734 -2.169 1.00 0.00 N ATOM 373 CD2 HIS A 23 -8.016 -12.046 -1.341 1.00 0.00 C ATOM 374 CE1 HIS A 23 -7.778 -13.351 -3.085 1.00 0.00 C ATOM 375 NE2 HIS A 23 -8.461 -12.329 -2.609 1.00 0.00 N ATOM 0 H HIS A 23 -7.878 -12.337 1.895 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.200 -14.911 0.737 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.005 -12.124 0.613 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.220 -13.509 -0.119 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.381 -11.263 -0.693 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.907 -13.799 -4.059 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.200 -11.829 -3.103 1.00 0.00 H new ATOM 384 N ASP A 24 -5.609 -13.664 3.306 1.00 0.00 N ATOM 385 CA ASP A 24 -4.650 -13.993 4.354 1.00 0.00 C ATOM 386 C ASP A 24 -5.241 -15.037 5.279 1.00 0.00 C ATOM 387 O ASP A 24 -6.097 -14.752 6.115 1.00 0.00 O ATOM 388 CB ASP A 24 -4.251 -12.758 5.148 1.00 0.00 C ATOM 389 CG ASP A 24 -3.261 -13.060 6.263 1.00 0.00 C ATOM 390 OD1 ASP A 24 -2.036 -13.089 6.001 1.00 0.00 O ATOM 391 OD2 ASP A 24 -3.702 -13.265 7.409 1.00 0.00 O ATOM 0 H ASP A 24 -6.134 -12.804 3.465 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.752 -14.391 3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.814 -12.024 4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.145 -12.304 5.577 1.00 0.00 H new ATOM 467 N HIS A 30 0.429 -9.999 5.182 1.00 0.00 N ATOM 468 CA HIS A 30 0.991 -9.432 3.968 1.00 0.00 C ATOM 469 C HIS A 30 0.954 -10.450 2.847 1.00 0.00 C ATOM 470 O HIS A 30 1.207 -11.636 3.064 1.00 0.00 O ATOM 471 CB HIS A 30 2.424 -8.921 4.172 1.00 0.00 C ATOM 472 CG HIS A 30 3.358 -9.870 4.866 1.00 0.00 C ATOM 473 ND1 HIS A 30 3.688 -9.757 6.199 1.00 0.00 N ATOM 474 CD2 HIS A 30 4.063 -10.926 4.397 1.00 0.00 C ATOM 475 CE1 HIS A 30 4.556 -10.698 6.518 1.00 0.00 C ATOM 476 NE2 HIS A 30 4.799 -11.422 5.442 1.00 0.00 N ATOM 0 HA HIS A 30 0.376 -8.573 3.699 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.845 -8.673 3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.382 -7.995 4.746 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.048 -11.307 3.387 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.993 -10.850 7.494 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.432 -12.221 5.395 1.00 0.00 H new ATOM 485 N LEU A 31 0.638 -9.978 1.659 1.00 0.00 N ATOM 486 CA LEU A 31 0.561 -10.837 0.491 1.00 0.00 C ATOM 487 C LEU A 31 1.897 -10.860 -0.230 1.00 0.00 C ATOM 488 O LEU A 31 2.588 -9.841 -0.318 1.00 0.00 O ATOM 489 CB LEU A 31 -0.540 -10.366 -0.466 1.00 0.00 C ATOM 490 CG LEU A 31 -1.967 -10.465 0.078 1.00 0.00 C ATOM 491 CD1 LEU A 31 -2.964 -9.981 -0.960 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.284 -11.895 0.491 1.00 0.00 C ATOM 0 H LEU A 31 0.429 -8.997 1.474 1.00 0.00 H new ATOM 0 HA LEU A 31 0.316 -11.845 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.343 -9.329 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.477 -10.952 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.044 -9.827 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.974 -10.058 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.752 -8.942 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.883 -10.595 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.303 -11.945 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.189 -12.553 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.587 -12.212 1.267 1.00 0.00 H new ATOM 504 N THR A 32 2.259 -12.031 -0.722 1.00 0.00 N ATOM 505 CA THR A 32 3.486 -12.204 -1.476 1.00 0.00 C ATOM 506 C THR A 32 3.369 -11.511 -2.835 1.00 0.00 C ATOM 507 O THR A 32 2.264 -11.151 -3.248 1.00 0.00 O ATOM 508 CB THR A 32 3.771 -13.704 -1.672 1.00 0.00 C ATOM 509 OG1 THR A 32 3.312 -14.428 -0.520 1.00 0.00 O ATOM 510 CG2 THR A 32 5.259 -13.965 -1.864 1.00 0.00 C ATOM 0 H THR A 32 1.713 -12.885 -0.611 1.00 0.00 H new ATOM 0 HA THR A 32 4.310 -11.754 -0.922 1.00 0.00 H new ATOM 0 HB THR A 32 3.245 -14.037 -2.567 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.490 -15.384 -0.642 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.426 -15.033 -2.000 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.612 -13.428 -2.744 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.805 -13.621 -0.986 1.00 0.00 H new ATOM 518 N GLY A 33 4.502 -11.322 -3.511 1.00 0.00 N ATOM 519 CA GLY A 33 4.518 -10.669 -4.816 1.00 0.00 C ATOM 520 C GLY A 33 3.425 -11.159 -5.755 1.00 0.00 C ATOM 521 O GLY A 33 2.541 -10.385 -6.131 1.00 0.00 O ATOM 0 H GLY A 33 5.420 -11.613 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.410 -9.593 -4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.489 -10.834 -5.284 1.00 0.00 H new ATOM 525 N PRO A 34 3.452 -12.443 -6.156 1.00 0.00 N ATOM 526 CA PRO A 34 2.434 -13.014 -7.043 1.00 0.00 C ATOM 527 C PRO A 34 1.023 -12.868 -6.478 1.00 0.00 C ATOM 528 O PRO A 34 0.094 -12.531 -7.210 1.00 0.00 O ATOM 529 CB PRO A 34 2.822 -14.494 -7.151 1.00 0.00 C ATOM 530 CG PRO A 34 3.761 -14.739 -6.017 1.00 0.00 C ATOM 531 CD PRO A 34 4.474 -13.438 -5.790 1.00 0.00 C ATOM 0 HA PRO A 34 2.409 -12.503 -8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.944 -15.137 -7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.297 -14.707 -8.108 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.222 -15.051 -5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.466 -15.535 -6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.795 -13.327 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.365 -13.351 -6.411 1.00 0.00 H new ATOM 539 N GLN A 35 0.879 -13.100 -5.173 1.00 0.00 N ATOM 540 CA GLN A 35 -0.417 -12.987 -4.499 1.00 0.00 C ATOM 541 C GLN A 35 -1.029 -11.608 -4.706 1.00 0.00 C ATOM 542 O GLN A 35 -2.158 -11.484 -5.178 1.00 0.00 O ATOM 543 CB GLN A 35 -0.271 -13.256 -2.998 1.00 0.00 C ATOM 544 CG GLN A 35 -0.090 -14.722 -2.640 1.00 0.00 C ATOM 545 CD GLN A 35 -1.302 -15.559 -3.001 1.00 0.00 C ATOM 546 OE1 GLN A 35 -2.243 -15.683 -2.219 1.00 0.00 O ATOM 547 NE2 GLN A 35 -1.278 -16.162 -4.175 1.00 0.00 N ATOM 0 H GLN A 35 1.647 -13.369 -4.558 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.078 -13.734 -4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.584 -12.694 -2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.154 -12.875 -2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.786 -15.114 -3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.104 -14.811 -1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.480 -16.035 -4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.058 -16.755 -4.460 1.00 0.00 H new ATOM 556 N ALA A 36 -0.270 -10.577 -4.361 1.00 0.00 N ATOM 557 CA ALA A 36 -0.733 -9.203 -4.492 1.00 0.00 C ATOM 558 C ALA A 36 -1.043 -8.869 -5.947 1.00 0.00 C ATOM 559 O ALA A 36 -2.078 -8.275 -6.252 1.00 0.00 O ATOM 560 CB ALA A 36 0.310 -8.250 -3.940 1.00 0.00 C ATOM 0 H ALA A 36 0.674 -10.668 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.653 -9.092 -3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.044 -7.224 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.484 -8.471 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.241 -8.369 -4.494 1.00 0.00 H new ATOM 566 N ARG A 37 -0.154 -9.282 -6.843 1.00 0.00 N ATOM 567 CA ARG A 37 -0.304 -9.001 -8.265 1.00 0.00 C ATOM 568 C ARG A 37 -1.552 -9.665 -8.836 1.00 0.00 C ATOM 569 O ARG A 37 -2.163 -9.147 -9.768 1.00 0.00 O ATOM 570 CB ARG A 37 0.940 -9.453 -9.035 1.00 0.00 C ATOM 571 CG ARG A 37 2.156 -8.579 -8.780 1.00 0.00 C ATOM 572 CD ARG A 37 3.294 -8.893 -9.740 1.00 0.00 C ATOM 573 NE ARG A 37 3.725 -10.290 -9.665 1.00 0.00 N ATOM 574 CZ ARG A 37 4.991 -10.670 -9.485 1.00 0.00 C ATOM 575 NH1 ARG A 37 5.942 -9.766 -9.314 1.00 0.00 N ATOM 576 NH2 ARG A 37 5.304 -11.958 -9.473 1.00 0.00 N ATOM 0 H ARG A 37 0.683 -9.816 -6.607 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.417 -7.923 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.176 -10.481 -8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.718 -9.452 -10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.876 -7.530 -8.880 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.497 -8.722 -7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.977 -8.669 -10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.141 -8.243 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 37 3.015 -11.016 -9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.709 -8.773 -9.319 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.908 -10.062 -9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.576 -12.661 -9.602 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.273 -12.246 -9.335 1.00 0.00 H new ATOM 590 N THR A 38 -1.929 -10.797 -8.259 1.00 0.00 N ATOM 591 CA THR A 38 -3.100 -11.540 -8.705 1.00 0.00 C ATOM 592 C THR A 38 -4.358 -10.674 -8.626 1.00 0.00 C ATOM 593 O THR A 38 -5.080 -10.521 -9.611 1.00 0.00 O ATOM 594 CB THR A 38 -3.300 -12.818 -7.865 1.00 0.00 C ATOM 595 OG1 THR A 38 -2.149 -13.663 -7.977 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.534 -13.588 -8.312 1.00 0.00 C ATOM 0 H THR A 38 -1.437 -11.224 -7.474 1.00 0.00 H new ATOM 0 HA THR A 38 -2.929 -11.825 -9.743 1.00 0.00 H new ATOM 0 HB THR A 38 -3.439 -12.515 -6.827 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.440 -13.329 -7.389 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.646 -14.483 -7.700 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.417 -12.958 -8.199 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.425 -13.875 -9.358 1.00 0.00 H new ATOM 604 N ILE A 39 -4.596 -10.085 -7.461 1.00 0.00 N ATOM 605 CA ILE A 39 -5.765 -9.240 -7.256 1.00 0.00 C ATOM 606 C ILE A 39 -5.617 -7.941 -8.045 1.00 0.00 C ATOM 607 O ILE A 39 -6.568 -7.459 -8.659 1.00 0.00 O ATOM 608 CB ILE A 39 -5.991 -8.916 -5.753 1.00 0.00 C ATOM 609 CG1 ILE A 39 -6.416 -10.172 -4.971 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.035 -7.820 -5.580 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.294 -11.151 -4.689 1.00 0.00 C ATOM 0 H ILE A 39 -3.994 -10.177 -6.643 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.634 -9.792 -7.613 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.042 -8.561 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.856 -9.862 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.196 -10.686 -5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.173 -7.613 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.699 -6.914 -6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.981 -8.147 -6.012 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.686 -12.004 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.867 -11.496 -5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.521 -10.659 -4.099 1.00 0.00 H new ATOM 623 N LEU A 40 -4.403 -7.408 -8.053 1.00 0.00 N ATOM 624 CA LEU A 40 -4.116 -6.146 -8.728 1.00 0.00 C ATOM 625 C LEU A 40 -4.448 -6.205 -10.217 1.00 0.00 C ATOM 626 O LEU A 40 -5.003 -5.259 -10.767 1.00 0.00 O ATOM 627 CB LEU A 40 -2.649 -5.768 -8.536 1.00 0.00 C ATOM 628 CG LEU A 40 -2.274 -5.335 -7.120 1.00 0.00 C ATOM 629 CD1 LEU A 40 -0.811 -4.944 -7.057 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.153 -4.183 -6.661 1.00 0.00 C ATOM 0 H LEU A 40 -3.595 -7.832 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.752 -5.384 -8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.030 -6.621 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.405 -4.959 -9.224 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.437 -6.178 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.560 -4.638 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.194 -5.796 -7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.626 -4.116 -7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.870 -3.890 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.024 -3.336 -7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.197 -4.496 -6.669 1.00 0.00 H new ATOM 642 N MET A 41 -4.122 -7.321 -10.860 1.00 0.00 N ATOM 643 CA MET A 41 -4.358 -7.470 -12.297 1.00 0.00 C ATOM 644 C MET A 41 -5.845 -7.620 -12.610 1.00 0.00 C ATOM 645 O MET A 41 -6.277 -7.380 -13.736 1.00 0.00 O ATOM 646 CB MET A 41 -3.584 -8.670 -12.854 1.00 0.00 C ATOM 647 CG MET A 41 -2.075 -8.493 -12.825 1.00 0.00 C ATOM 648 SD MET A 41 -1.196 -9.865 -13.601 1.00 0.00 S ATOM 649 CE MET A 41 -1.840 -9.780 -15.271 1.00 0.00 C ATOM 0 H MET A 41 -3.696 -8.133 -10.414 1.00 0.00 H new ATOM 0 HA MET A 41 -3.999 -6.561 -12.779 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.847 -9.559 -12.280 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.900 -8.849 -13.882 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.813 -7.565 -13.333 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.745 -8.394 -11.791 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.130 -10.239 -15.959 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.790 -10.312 -15.322 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.992 -8.737 -15.550 1.00 0.00 H new ATOM 659 N GLN A 42 -6.632 -7.989 -11.603 1.00 0.00 N ATOM 660 CA GLN A 42 -8.066 -8.201 -11.790 1.00 0.00 C ATOM 661 C GLN A 42 -8.811 -6.873 -11.925 1.00 0.00 C ATOM 662 O GLN A 42 -10.025 -6.848 -12.139 1.00 0.00 O ATOM 663 CB GLN A 42 -8.648 -9.003 -10.625 1.00 0.00 C ATOM 664 CG GLN A 42 -8.075 -10.406 -10.490 1.00 0.00 C ATOM 665 CD GLN A 42 -8.472 -11.331 -11.627 1.00 0.00 C ATOM 666 OE1 GLN A 42 -8.696 -10.900 -12.760 1.00 0.00 O ATOM 667 NE2 GLN A 42 -8.558 -12.617 -11.332 1.00 0.00 N ATOM 0 H GLN A 42 -6.303 -8.147 -10.651 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.196 -8.765 -12.714 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.470 -8.458 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.728 -9.074 -10.750 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.988 -10.344 -10.445 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.409 -10.838 -9.547 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.365 -12.936 -10.383 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.817 -13.290 -12.054 1.00 0.00 H new ATOM 676 N SER A 43 -8.081 -5.773 -11.796 1.00 0.00 N ATOM 677 CA SER A 43 -8.660 -4.447 -11.953 1.00 0.00 C ATOM 678 C SER A 43 -8.867 -4.127 -13.431 1.00 0.00 C ATOM 679 O SER A 43 -9.646 -3.242 -13.778 1.00 0.00 O ATOM 680 CB SER A 43 -7.751 -3.403 -11.313 1.00 0.00 C ATOM 681 OG SER A 43 -6.469 -3.416 -11.916 1.00 0.00 O ATOM 0 H SER A 43 -7.084 -5.774 -11.582 1.00 0.00 H new ATOM 0 HA SER A 43 -9.629 -4.428 -11.455 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.197 -2.414 -11.416 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.658 -3.601 -10.245 1.00 0.00 H new ATOM 0 HG SER A 43 -5.819 -3.805 -11.294 1.00 0.00 H new ATOM 687 N SER A 44 -8.147 -4.863 -14.287 1.00 0.00 N ATOM 688 CA SER A 44 -8.210 -4.687 -15.741 1.00 0.00 C ATOM 689 C SER A 44 -7.588 -3.356 -16.171 1.00 0.00 C ATOM 690 O SER A 44 -7.756 -2.918 -17.312 1.00 0.00 O ATOM 691 CB SER A 44 -9.657 -4.797 -16.238 1.00 0.00 C ATOM 692 OG SER A 44 -10.232 -6.035 -15.847 1.00 0.00 O ATOM 0 H SER A 44 -7.504 -5.597 -13.990 1.00 0.00 H new ATOM 0 HA SER A 44 -7.627 -5.487 -16.198 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.248 -3.974 -15.836 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.681 -4.707 -17.324 1.00 0.00 H new ATOM 0 HG SER A 44 -11.155 -6.084 -16.172 1.00 0.00 H new ATOM 698 N LEU A 45 -6.847 -2.733 -15.265 1.00 0.00 N ATOM 699 CA LEU A 45 -6.144 -1.494 -15.571 1.00 0.00 C ATOM 700 C LEU A 45 -4.902 -1.794 -16.407 1.00 0.00 C ATOM 701 O LEU A 45 -4.431 -2.933 -16.433 1.00 0.00 O ATOM 702 CB LEU A 45 -5.749 -0.778 -14.276 1.00 0.00 C ATOM 703 CG LEU A 45 -6.917 -0.355 -13.381 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.407 0.284 -12.100 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.843 0.601 -14.121 1.00 0.00 C ATOM 0 H LEU A 45 -6.717 -3.066 -14.310 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.806 -0.843 -16.142 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.093 -1.433 -13.703 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.169 0.109 -14.533 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.484 -1.248 -13.118 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.253 0.577 -11.478 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.789 -0.431 -11.558 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.813 1.165 -12.344 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.666 0.889 -13.467 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.287 1.490 -14.417 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.240 0.109 -15.009 1.00 0.00 H new ATOM 717 N PRO A 46 -4.358 -0.789 -17.120 1.00 0.00 N ATOM 718 CA PRO A 46 -3.151 -0.976 -17.926 1.00 0.00 C ATOM 719 C PRO A 46 -1.940 -1.275 -17.048 1.00 0.00 C ATOM 720 O PRO A 46 -1.815 -0.735 -15.946 1.00 0.00 O ATOM 721 CB PRO A 46 -2.981 0.361 -18.655 1.00 0.00 C ATOM 722 CG PRO A 46 -3.724 1.350 -17.829 1.00 0.00 C ATOM 723 CD PRO A 46 -4.857 0.598 -17.188 1.00 0.00 C ATOM 0 HA PRO A 46 -3.235 -1.821 -18.609 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.929 0.631 -18.742 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.382 0.312 -19.667 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.074 1.792 -17.074 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.099 2.167 -18.445 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.089 0.990 -16.198 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.770 0.667 -17.780 1.00 0.00 H new ATOM 731 N GLN A 47 -1.046 -2.123 -17.542 1.00 0.00 N ATOM 732 CA GLN A 47 0.107 -2.564 -16.765 1.00 0.00 C ATOM 733 C GLN A 47 1.008 -1.384 -16.408 1.00 0.00 C ATOM 734 O GLN A 47 1.688 -1.402 -15.382 1.00 0.00 O ATOM 735 CB GLN A 47 0.894 -3.629 -17.529 1.00 0.00 C ATOM 736 CG GLN A 47 2.047 -4.218 -16.731 1.00 0.00 C ATOM 737 CD GLN A 47 2.677 -5.421 -17.402 1.00 0.00 C ATOM 738 OE1 GLN A 47 2.011 -6.167 -18.120 1.00 0.00 O ATOM 739 NE2 GLN A 47 3.964 -5.625 -17.165 1.00 0.00 N ATOM 0 H GLN A 47 -1.097 -2.520 -18.480 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.258 -3.004 -15.837 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.216 -4.432 -17.820 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.284 -3.192 -18.448 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.808 -3.452 -16.583 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.688 -4.506 -15.743 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.480 -4.983 -16.564 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.439 -6.424 -17.584 1.00 0.00 H new ATOM 748 N ALA A 48 0.995 -0.357 -17.254 1.00 0.00 N ATOM 749 CA ALA A 48 1.729 0.874 -16.985 1.00 0.00 C ATOM 750 C ALA A 48 1.300 1.480 -15.650 1.00 0.00 C ATOM 751 O ALA A 48 2.135 1.855 -14.823 1.00 0.00 O ATOM 752 CB ALA A 48 1.522 1.870 -18.117 1.00 0.00 C ATOM 0 H ALA A 48 0.481 -0.355 -18.135 1.00 0.00 H new ATOM 0 HA ALA A 48 2.791 0.635 -16.922 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.076 2.784 -17.903 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.881 1.439 -19.051 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.461 2.101 -18.209 1.00 0.00 H new ATOM 758 N GLN A 49 -0.009 1.559 -15.438 1.00 0.00 N ATOM 759 CA GLN A 49 -0.546 2.081 -14.192 1.00 0.00 C ATOM 760 C GLN A 49 -0.352 1.074 -13.065 1.00 0.00 C ATOM 761 O GLN A 49 -0.043 1.455 -11.940 1.00 0.00 O ATOM 762 CB GLN A 49 -2.030 2.424 -14.342 1.00 0.00 C ATOM 763 CG GLN A 49 -2.310 3.495 -15.387 1.00 0.00 C ATOM 764 CD GLN A 49 -3.762 3.933 -15.406 1.00 0.00 C ATOM 765 OE1 GLN A 49 -4.663 3.162 -15.082 1.00 0.00 O ATOM 766 NE2 GLN A 49 -3.997 5.177 -15.793 1.00 0.00 N ATOM 0 H GLN A 49 -0.715 1.268 -16.114 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.004 2.994 -13.945 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.578 1.519 -14.607 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.415 2.760 -13.379 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.677 4.361 -15.192 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.037 3.116 -16.372 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.221 5.785 -16.054 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.954 5.527 -15.830 1.00 0.00 H new ATOM 775 N LEU A 50 -0.519 -0.209 -13.377 1.00 0.00 N ATOM 776 CA LEU A 50 -0.349 -1.270 -12.393 1.00 0.00 C ATOM 777 C LEU A 50 1.060 -1.252 -11.810 1.00 0.00 C ATOM 778 O LEU A 50 1.237 -1.325 -10.594 1.00 0.00 O ATOM 779 CB LEU A 50 -0.636 -2.630 -13.031 1.00 0.00 C ATOM 780 CG LEU A 50 -2.081 -2.851 -13.483 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.234 -4.226 -14.119 1.00 0.00 C ATOM 782 CD2 LEU A 50 -3.038 -2.695 -12.311 1.00 0.00 C ATOM 0 H LEU A 50 -0.773 -0.538 -14.308 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.057 -1.100 -11.582 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.019 -2.753 -13.893 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.373 -3.410 -12.317 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.328 -2.096 -14.229 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.267 -4.368 -14.435 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.576 -4.302 -14.985 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.968 -4.994 -13.393 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.061 -2.856 -12.652 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.793 -3.427 -11.541 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.947 -1.690 -11.898 1.00 0.00 H new ATOM 794 N ALA A 51 2.058 -1.140 -12.679 1.00 0.00 N ATOM 795 CA ALA A 51 3.444 -1.054 -12.243 1.00 0.00 C ATOM 796 C ALA A 51 3.668 0.209 -11.420 1.00 0.00 C ATOM 797 O ALA A 51 4.379 0.189 -10.415 1.00 0.00 O ATOM 798 CB ALA A 51 4.380 -1.080 -13.440 1.00 0.00 C ATOM 0 H ALA A 51 1.931 -1.107 -13.691 1.00 0.00 H new ATOM 0 HA ALA A 51 3.661 -1.918 -11.615 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.412 -1.015 -13.096 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.239 -2.009 -13.992 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.161 -0.234 -14.092 1.00 0.00 H new ATOM 804 N SER A 52 3.041 1.299 -11.853 1.00 0.00 N ATOM 805 CA SER A 52 3.096 2.563 -11.132 1.00 0.00 C ATOM 806 C SER A 52 2.519 2.401 -9.724 1.00 0.00 C ATOM 807 O SER A 52 3.142 2.796 -8.740 1.00 0.00 O ATOM 808 CB SER A 52 2.323 3.631 -11.913 1.00 0.00 C ATOM 809 OG SER A 52 2.910 3.854 -13.187 1.00 0.00 O ATOM 0 H SER A 52 2.485 1.330 -12.707 1.00 0.00 H new ATOM 0 HA SER A 52 4.136 2.876 -11.036 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.286 3.318 -12.036 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.309 4.562 -11.347 1.00 0.00 H new ATOM 0 HG SER A 52 2.499 3.257 -13.846 1.00 0.00 H new ATOM 815 N ILE A 53 1.341 1.791 -9.642 1.00 0.00 N ATOM 816 CA ILE A 53 0.682 1.535 -8.365 1.00 0.00 C ATOM 817 C ILE A 53 1.546 0.648 -7.474 1.00 0.00 C ATOM 818 O ILE A 53 1.706 0.929 -6.290 1.00 0.00 O ATOM 819 CB ILE A 53 -0.700 0.870 -8.576 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.640 1.836 -9.303 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.304 0.426 -7.248 1.00 0.00 C ATOM 822 CD1 ILE A 53 -2.962 1.219 -9.702 1.00 0.00 C ATOM 0 H ILE A 53 0.818 1.462 -10.454 1.00 0.00 H new ATOM 0 HA ILE A 53 0.538 2.497 -7.873 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.565 -0.019 -9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.830 2.695 -8.660 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.140 2.211 -10.196 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.274 -0.038 -7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.640 -0.294 -6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.430 1.292 -6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.572 1.965 -10.211 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.783 0.377 -10.371 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.484 0.870 -8.811 1.00 0.00 H new ATOM 834 N TRP A 54 2.111 -0.408 -8.048 1.00 0.00 N ATOM 835 CA TRP A 54 2.974 -1.310 -7.295 1.00 0.00 C ATOM 836 C TRP A 54 4.167 -0.556 -6.725 1.00 0.00 C ATOM 837 O TRP A 54 4.454 -0.641 -5.535 1.00 0.00 O ATOM 838 CB TRP A 54 3.468 -2.455 -8.184 1.00 0.00 C ATOM 839 CG TRP A 54 4.343 -3.430 -7.453 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.699 -3.355 -7.292 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.923 -4.620 -6.776 1.00 0.00 C ATOM 842 NE1 TRP A 54 6.144 -4.423 -6.554 1.00 0.00 N ATOM 843 CE2 TRP A 54 5.075 -5.217 -6.230 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.685 -5.241 -6.579 1.00 0.00 C ATOM 845 CZ2 TRP A 54 5.023 -6.401 -5.498 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.638 -6.418 -5.854 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.799 -6.986 -5.323 1.00 0.00 C ATOM 0 H TRP A 54 1.988 -0.660 -9.029 1.00 0.00 H new ATOM 0 HA TRP A 54 2.390 -1.726 -6.474 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.609 -2.984 -8.596 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.021 -2.040 -9.027 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.327 -2.571 -7.687 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.113 -4.598 -6.289 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.782 -4.809 -6.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.918 -6.842 -5.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.688 -6.906 -5.696 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.728 -7.906 -4.763 1.00 0.00 H new ATOM 858 N ASN A 55 4.845 0.192 -7.585 1.00 0.00 N ATOM 859 CA ASN A 55 6.036 0.937 -7.188 1.00 0.00 C ATOM 860 C ASN A 55 5.696 1.964 -6.105 1.00 0.00 C ATOM 861 O ASN A 55 6.500 2.237 -5.214 1.00 0.00 O ATOM 862 CB ASN A 55 6.644 1.631 -8.412 1.00 0.00 C ATOM 863 CG ASN A 55 7.919 2.390 -8.094 1.00 0.00 C ATOM 864 OD1 ASN A 55 7.883 3.575 -7.766 1.00 0.00 O ATOM 865 ND2 ASN A 55 9.054 1.717 -8.203 1.00 0.00 N ATOM 0 H ASN A 55 4.590 0.300 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 55 6.765 0.240 -6.775 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.854 0.885 -9.178 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.912 2.321 -8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.942 2.181 -8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.040 0.735 -8.478 1.00 0.00 H new ATOM 872 N LEU A 56 4.500 2.531 -6.203 1.00 0.00 N ATOM 873 CA LEU A 56 4.005 3.484 -5.216 1.00 0.00 C ATOM 874 C LEU A 56 3.584 2.794 -3.915 1.00 0.00 C ATOM 875 O LEU A 56 3.699 3.370 -2.835 1.00 0.00 O ATOM 876 CB LEU A 56 2.823 4.270 -5.798 1.00 0.00 C ATOM 877 CG LEU A 56 3.184 5.265 -6.901 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.937 5.979 -7.395 1.00 0.00 C ATOM 879 CD2 LEU A 56 4.207 6.272 -6.398 1.00 0.00 C ATOM 0 H LEU A 56 3.848 2.345 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 56 4.820 4.167 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.096 3.561 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.333 4.811 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 56 3.624 4.715 -7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.209 6.685 -8.180 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.232 5.248 -7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.474 6.517 -6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.452 6.972 -7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.793 6.819 -5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.110 5.748 -6.086 1.00 0.00 H new ATOM 891 N SER A 57 3.100 1.563 -4.023 1.00 0.00 N ATOM 892 CA SER A 57 2.529 0.862 -2.881 1.00 0.00 C ATOM 893 C SER A 57 3.591 0.114 -2.079 1.00 0.00 C ATOM 894 O SER A 57 3.484 0.017 -0.858 1.00 0.00 O ATOM 895 CB SER A 57 1.443 -0.111 -3.348 1.00 0.00 C ATOM 896 OG SER A 57 0.798 -0.732 -2.250 1.00 0.00 O ATOM 0 H SER A 57 3.092 1.029 -4.892 1.00 0.00 H new ATOM 0 HA SER A 57 2.088 1.612 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.707 0.424 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.886 -0.873 -3.990 1.00 0.00 H new ATOM 0 HG SER A 57 0.029 -0.191 -1.974 1.00 0.00 H new ATOM 902 N ASP A 58 4.596 -0.426 -2.762 1.00 0.00 N ATOM 903 CA ASP A 58 5.665 -1.158 -2.086 1.00 0.00 C ATOM 904 C ASP A 58 6.599 -0.180 -1.388 1.00 0.00 C ATOM 905 O ASP A 58 7.528 0.366 -1.992 1.00 0.00 O ATOM 906 CB ASP A 58 6.442 -2.036 -3.076 1.00 0.00 C ATOM 907 CG ASP A 58 7.456 -2.952 -2.402 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.510 -2.992 -1.156 1.00 0.00 O ATOM 909 OD2 ASP A 58 8.201 -3.651 -3.122 1.00 0.00 O ATOM 0 H ASP A 58 4.694 -0.372 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 58 5.218 -1.815 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.737 -2.642 -3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.960 -1.396 -3.790 1.00 0.00 H new ATOM 914 N ILE A 59 6.323 0.068 -0.119 1.00 0.00 N ATOM 915 CA ILE A 59 7.094 1.026 0.654 1.00 0.00 C ATOM 916 C ILE A 59 8.367 0.369 1.176 1.00 0.00 C ATOM 917 O ILE A 59 9.418 1.010 1.287 1.00 0.00 O ATOM 918 CB ILE A 59 6.276 1.579 1.844 1.00 0.00 C ATOM 919 CG1 ILE A 59 4.907 2.089 1.377 1.00 0.00 C ATOM 920 CG2 ILE A 59 7.043 2.690 2.554 1.00 0.00 C ATOM 921 CD1 ILE A 59 4.982 3.229 0.387 1.00 0.00 C ATOM 0 H ILE A 59 5.568 -0.382 0.399 1.00 0.00 H new ATOM 0 HA ILE A 59 7.349 1.857 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 59 6.115 0.764 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.358 1.263 0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.335 2.413 2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.450 3.066 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.989 2.298 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.239 3.502 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.974 3.533 0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.502 4.072 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.525 2.905 -0.501 1.00 0.00 H new ATOM 933 N ASP A 60 8.264 -0.918 1.470 1.00 0.00 N ATOM 934 CA ASP A 60 9.384 -1.683 2.002 1.00 0.00 C ATOM 935 C ASP A 60 10.401 -1.956 0.901 1.00 0.00 C ATOM 936 O ASP A 60 11.597 -2.105 1.165 1.00 0.00 O ATOM 937 CB ASP A 60 8.873 -2.997 2.603 1.00 0.00 C ATOM 938 CG ASP A 60 9.954 -3.789 3.315 1.00 0.00 C ATOM 939 OD1 ASP A 60 10.777 -3.175 4.023 1.00 0.00 O ATOM 940 OD2 ASP A 60 9.967 -5.032 3.194 1.00 0.00 O ATOM 0 H ASP A 60 7.408 -1.460 1.348 1.00 0.00 H new ATOM 0 HA ASP A 60 9.874 -1.106 2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.069 -2.779 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.446 -3.610 1.810 1.00 0.00 H new ATOM 945 N GLN A 61 9.907 -1.982 -0.335 1.00 0.00 N ATOM 946 CA GLN A 61 10.723 -2.234 -1.519 1.00 0.00 C ATOM 947 C GLN A 61 11.283 -3.646 -1.483 1.00 0.00 C ATOM 948 O GLN A 61 12.496 -3.856 -1.580 1.00 0.00 O ATOM 949 CB GLN A 61 11.858 -1.215 -1.661 1.00 0.00 C ATOM 950 CG GLN A 61 11.393 0.182 -2.033 1.00 0.00 C ATOM 951 CD GLN A 61 12.549 1.101 -2.381 1.00 0.00 C ATOM 952 OE1 GLN A 61 13.589 0.653 -2.870 1.00 0.00 O ATOM 953 NE2 GLN A 61 12.378 2.389 -2.136 1.00 0.00 N ATOM 0 H GLN A 61 8.921 -1.827 -0.544 1.00 0.00 H new ATOM 0 HA GLN A 61 10.077 -2.127 -2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.407 -1.165 -0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.556 -1.568 -2.420 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.712 0.122 -2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.830 0.608 -1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.502 2.719 -1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.122 3.052 -2.352 1.00 0.00 H new ATOM 962 N ASP A 62 10.387 -4.608 -1.340 1.00 0.00 N ATOM 963 CA ASP A 62 10.777 -6.009 -1.266 1.00 0.00 C ATOM 964 C ASP A 62 9.906 -6.866 -2.186 1.00 0.00 C ATOM 965 O ASP A 62 10.211 -8.031 -2.440 1.00 0.00 O ATOM 966 CB ASP A 62 10.679 -6.508 0.180 1.00 0.00 C ATOM 967 CG ASP A 62 11.253 -7.898 0.358 1.00 0.00 C ATOM 968 OD1 ASP A 62 12.490 -8.023 0.496 1.00 0.00 O ATOM 969 OD2 ASP A 62 10.478 -8.874 0.364 1.00 0.00 O ATOM 0 H ASP A 62 9.382 -4.446 -1.273 1.00 0.00 H new ATOM 0 HA ASP A 62 11.811 -6.097 -1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.206 -5.815 0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.634 -6.508 0.490 1.00 0.00 H new ATOM 974 N GLY A 63 8.842 -6.278 -2.715 1.00 0.00 N ATOM 975 CA GLY A 63 7.940 -7.025 -3.563 1.00 0.00 C ATOM 976 C GLY A 63 6.865 -7.748 -2.778 1.00 0.00 C ATOM 977 O GLY A 63 6.467 -8.856 -3.138 1.00 0.00 O ATOM 0 H GLY A 63 8.589 -5.300 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.470 -6.346 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.510 -7.750 -4.144 1.00 0.00 H new ATOM 981 N LYS A 64 6.410 -7.133 -1.695 1.00 0.00 N ATOM 982 CA LYS A 64 5.315 -7.682 -0.903 1.00 0.00 C ATOM 983 C LYS A 64 4.382 -6.564 -0.474 1.00 0.00 C ATOM 984 O LYS A 64 4.822 -5.439 -0.250 1.00 0.00 O ATOM 985 CB LYS A 64 5.822 -8.417 0.343 1.00 0.00 C ATOM 986 CG LYS A 64 6.818 -9.530 0.060 1.00 0.00 C ATOM 987 CD LYS A 64 6.873 -10.521 1.211 1.00 0.00 C ATOM 988 CE LYS A 64 8.005 -11.522 1.044 1.00 0.00 C ATOM 989 NZ LYS A 64 9.321 -10.939 1.414 1.00 0.00 N ATOM 0 H LYS A 64 6.783 -6.251 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 64 4.786 -8.400 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.287 -7.693 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.968 -8.838 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.538 -10.048 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.808 -9.104 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.001 -9.981 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.924 -11.054 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.809 -12.398 1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.038 -11.864 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.082 -11.581 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.438 -10.019 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.365 -10.808 2.445 1.00 0.00 H new ATOM 1003 N LEU A 65 3.099 -6.877 -0.352 1.00 0.00 N ATOM 1004 CA LEU A 65 2.113 -5.885 0.049 1.00 0.00 C ATOM 1005 C LEU A 65 1.408 -6.317 1.330 1.00 0.00 C ATOM 1006 O LEU A 65 0.668 -7.303 1.338 1.00 0.00 O ATOM 1007 CB LEU A 65 1.087 -5.659 -1.069 1.00 0.00 C ATOM 1008 CG LEU A 65 1.630 -4.973 -2.329 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.492 -4.618 -3.272 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.428 -3.729 -1.964 1.00 0.00 C ATOM 0 H LEU A 65 2.718 -7.807 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 65 2.634 -4.946 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.666 -6.623 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.269 -5.058 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 65 2.297 -5.669 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.894 -4.132 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.036 -5.526 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.199 -3.941 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.804 -3.258 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.786 -3.028 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.267 -4.009 -1.327 1.00 0.00 H new ATOM 1022 N THR A 66 1.655 -5.594 2.413 1.00 0.00 N ATOM 1023 CA THR A 66 1.001 -5.873 3.685 1.00 0.00 C ATOM 1024 C THR A 66 -0.474 -5.488 3.626 1.00 0.00 C ATOM 1025 O THR A 66 -0.948 -4.978 2.610 1.00 0.00 O ATOM 1026 CB THR A 66 1.666 -5.105 4.841 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.674 -3.703 4.552 1.00 0.00 O ATOM 1028 CG2 THR A 66 3.092 -5.579 5.078 1.00 0.00 C ATOM 0 H THR A 66 2.305 -4.808 2.437 1.00 0.00 H new ATOM 0 HA THR A 66 1.099 -6.943 3.867 1.00 0.00 H new ATOM 0 HB THR A 66 1.087 -5.296 5.745 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.481 -3.479 4.043 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.531 -5.015 5.901 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.086 -6.640 5.328 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.682 -5.422 4.175 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.196 -5.729 4.714 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.597 -5.347 4.791 1.00 0.00 C ATOM 1038 C ALA A 67 -2.753 -3.841 4.632 1.00 0.00 C ATOM 1039 O ALA A 67 -3.685 -3.371 3.982 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.207 -5.814 6.104 1.00 0.00 C ATOM 0 H ALA A 67 -0.834 -6.186 5.551 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.130 -5.833 3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.256 -5.519 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.132 -6.899 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.671 -5.359 6.937 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.823 -3.093 5.214 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.831 -1.643 5.110 1.00 0.00 C ATOM 1048 C GLU A 68 -1.553 -1.207 3.673 1.00 0.00 C ATOM 1049 O GLU A 68 -2.219 -0.320 3.140 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.790 -1.027 6.053 1.00 0.00 C ATOM 1051 CG GLU A 68 -1.163 -1.071 7.531 1.00 0.00 C ATOM 1052 CD GLU A 68 -1.255 -2.477 8.091 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -0.242 -3.204 8.062 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -2.338 -2.856 8.582 1.00 0.00 O ATOM 0 H GLU A 68 -1.052 -3.471 5.764 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.820 -1.289 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.158 -1.548 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.628 0.011 5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.423 -0.509 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.121 -0.570 7.671 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.588 -1.857 3.042 1.00 0.00 N ATOM 1062 CA GLU A 69 -0.167 -1.475 1.700 1.00 0.00 C ATOM 1063 C GLU A 69 -1.206 -1.886 0.662 1.00 0.00 C ATOM 1064 O GLU A 69 -1.428 -1.178 -0.316 1.00 0.00 O ATOM 1065 CB GLU A 69 1.193 -2.093 1.378 1.00 0.00 C ATOM 1066 CG GLU A 69 2.318 -1.547 2.247 1.00 0.00 C ATOM 1067 CD GLU A 69 3.578 -2.383 2.173 1.00 0.00 C ATOM 1068 OE1 GLU A 69 3.528 -3.559 2.603 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.617 -1.871 1.706 1.00 0.00 O ATOM 0 H GLU A 69 -0.081 -2.650 3.435 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.074 -0.390 1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.134 -3.174 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.430 -1.910 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.546 -0.527 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.980 -1.499 3.282 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.854 -3.023 0.888 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.911 -3.494 -0.004 1.00 0.00 C ATOM 1078 C PHE A 70 -4.047 -2.472 -0.066 1.00 0.00 C ATOM 1079 O PHE A 70 -4.574 -2.184 -1.141 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.439 -4.855 0.469 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.453 -5.481 -0.454 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.777 -5.076 -0.424 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -4.085 -6.483 -1.339 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -6.712 -5.655 -1.255 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -5.020 -7.066 -2.177 1.00 0.00 C ATOM 1086 CZ PHE A 70 -6.338 -6.650 -2.134 1.00 0.00 C ATOM 0 H PHE A 70 -1.667 -3.637 1.681 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.497 -3.612 -1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.598 -5.539 0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.888 -4.735 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.081 -4.297 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.057 -6.812 -1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.741 -5.329 -1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.721 -7.844 -2.863 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.071 -7.102 -2.786 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.411 -1.926 1.092 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.435 -0.886 1.164 1.00 0.00 C ATOM 1098 C ILE A 71 -5.023 0.319 0.324 1.00 0.00 C ATOM 1099 O ILE A 71 -5.827 0.871 -0.432 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.667 -0.424 2.619 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.181 -1.582 3.477 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.642 0.745 2.663 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.330 -1.236 4.946 1.00 0.00 C ATOM 0 H ILE A 71 -4.012 -2.186 1.994 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.361 -1.312 0.778 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.713 -0.091 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.147 -1.908 3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.498 -2.425 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.792 1.055 3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.237 1.578 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.596 0.439 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.698 -2.106 5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.362 -0.939 5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.037 -0.414 5.056 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.762 0.714 0.464 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.208 1.822 -0.304 1.00 0.00 C ATOM 1117 C LEU A 72 -3.274 1.526 -1.802 1.00 0.00 C ATOM 1118 O LEU A 72 -3.726 2.361 -2.590 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.760 2.090 0.118 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.031 3.164 -0.692 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.724 4.509 -0.543 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.418 3.258 -0.254 1.00 0.00 C ATOM 0 H LEU A 72 -3.101 0.279 1.107 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.804 2.712 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.753 2.383 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.199 1.159 0.043 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.058 2.883 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.191 5.260 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.750 4.431 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.729 4.802 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.926 4.026 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.462 3.518 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.909 2.298 -0.412 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.830 0.332 -2.179 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.852 -0.104 -3.570 1.00 0.00 C ATOM 1136 C ALA A 73 -4.264 -0.038 -4.141 1.00 0.00 C ATOM 1137 O ALA A 73 -4.498 0.601 -5.165 1.00 0.00 O ATOM 1138 CB ALA A 73 -2.292 -1.517 -3.687 1.00 0.00 C ATOM 0 H ALA A 73 -2.447 -0.358 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.224 0.571 -4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.314 -1.832 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.264 -1.532 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.897 -2.199 -3.090 1.00 0.00 H new ATOM 1144 N MET A 74 -5.209 -0.663 -3.452 1.00 0.00 N ATOM 1145 CA MET A 74 -6.594 -0.688 -3.912 1.00 0.00 C ATOM 1146 C MET A 74 -7.190 0.713 -3.961 1.00 0.00 C ATOM 1147 O MET A 74 -8.074 0.989 -4.772 1.00 0.00 O ATOM 1148 CB MET A 74 -7.449 -1.591 -3.026 1.00 0.00 C ATOM 1149 CG MET A 74 -7.174 -3.068 -3.227 1.00 0.00 C ATOM 1150 SD MET A 74 -7.489 -3.609 -4.919 1.00 0.00 S ATOM 1151 CE MET A 74 -9.249 -3.295 -5.063 1.00 0.00 C ATOM 0 H MET A 74 -5.045 -1.158 -2.576 1.00 0.00 H new ATOM 0 HA MET A 74 -6.591 -1.093 -4.924 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.272 -1.335 -1.981 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.502 -1.394 -3.228 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.136 -3.279 -2.970 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.796 -3.646 -2.543 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.648 -3.843 -5.916 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.753 -3.623 -4.154 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.418 -2.228 -5.207 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.705 1.604 -3.105 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.155 2.987 -3.132 1.00 0.00 C ATOM 1163 C HIS A 75 -6.672 3.666 -4.410 1.00 0.00 C ATOM 1164 O HIS A 75 -7.366 4.506 -4.974 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.665 3.751 -1.901 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.176 5.159 -1.836 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -8.519 5.472 -1.819 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -6.518 6.342 -1.798 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -8.664 6.783 -1.777 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -7.466 7.334 -1.765 1.00 0.00 N ATOM 0 H HIS A 75 -6.007 1.395 -2.391 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.245 2.994 -3.116 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.976 3.217 -1.003 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.575 3.767 -1.902 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.447 6.479 -1.794 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.604 7.314 -1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -7.275 8.335 -1.736 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.482 3.288 -4.866 1.00 0.00 N ATOM 1180 CA LEU A 76 -4.941 3.813 -6.112 1.00 0.00 C ATOM 1181 C LEU A 76 -5.735 3.270 -7.297 1.00 0.00 C ATOM 1182 O LEU A 76 -6.000 3.992 -8.258 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.457 3.461 -6.250 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.553 4.039 -5.159 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.118 3.578 -5.356 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.633 5.561 -5.144 1.00 0.00 C ATOM 0 H LEU A 76 -4.875 2.620 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.030 4.899 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.354 2.376 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.104 3.814 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.902 3.671 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.490 3.999 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.076 2.490 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.758 3.914 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.983 5.952 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.313 5.952 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.660 5.869 -4.950 1.00 0.00 H new ATOM 1198 N ILE A 77 -6.124 1.997 -7.216 1.00 0.00 N ATOM 1199 CA ILE A 77 -7.025 1.409 -8.207 1.00 0.00 C ATOM 1200 C ILE A 77 -8.343 2.181 -8.231 1.00 0.00 C ATOM 1201 O ILE A 77 -8.866 2.496 -9.296 1.00 0.00 O ATOM 1202 CB ILE A 77 -7.302 -0.104 -7.940 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -6.175 -0.985 -8.496 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.634 -0.539 -8.535 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.889 -0.918 -7.711 1.00 0.00 C ATOM 0 H ILE A 77 -5.831 1.356 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.531 1.481 -9.176 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.345 -0.232 -6.858 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.518 -2.019 -8.522 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.974 -0.690 -9.526 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.795 -1.597 -8.331 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.440 0.044 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.622 -0.375 -9.613 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.147 -1.570 -8.172 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.519 0.107 -7.706 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.071 -1.243 -6.687 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.854 2.501 -7.047 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.089 3.277 -6.903 1.00 0.00 C ATOM 1219 C ASP A 78 -9.963 4.645 -7.581 1.00 0.00 C ATOM 1220 O ASP A 78 -10.886 5.105 -8.256 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.414 3.448 -5.414 1.00 0.00 C ATOM 1222 CG ASP A 78 -11.692 4.220 -5.154 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -11.631 5.461 -5.056 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -12.755 3.580 -4.997 1.00 0.00 O ATOM 0 H ASP A 78 -8.428 2.232 -6.160 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.900 2.737 -7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.495 2.463 -4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.585 3.961 -4.927 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.810 5.283 -7.408 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.536 6.561 -8.057 1.00 0.00 C ATOM 1231 C VAL A 79 -8.520 6.395 -9.577 1.00 0.00 C ATOM 1232 O VAL A 79 -9.124 7.185 -10.308 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.195 7.165 -7.584 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -6.890 8.460 -8.324 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.222 7.407 -6.081 1.00 0.00 C ATOM 0 H VAL A 79 -8.050 4.936 -6.823 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.335 7.247 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.403 6.450 -7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.941 8.865 -7.973 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.826 8.261 -9.394 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.684 9.182 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.270 7.833 -5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.028 8.100 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.387 6.462 -5.563 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.847 5.350 -10.045 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.786 5.056 -11.474 1.00 0.00 C ATOM 1247 C ALA A 80 -9.167 4.685 -12.011 1.00 0.00 C ATOM 1248 O ALA A 80 -9.494 4.972 -13.160 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.790 3.939 -11.746 1.00 0.00 C ATOM 0 H ALA A 80 -7.336 4.692 -9.457 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.449 5.954 -11.993 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.757 3.733 -12.816 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.800 4.243 -11.405 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.097 3.040 -11.213 1.00 0.00 H new ATOM 1255 N MET A 81 -9.978 4.065 -11.158 1.00 0.00 N ATOM 1256 CA MET A 81 -11.356 3.702 -11.502 1.00 0.00 C ATOM 1257 C MET A 81 -12.212 4.939 -11.756 1.00 0.00 C ATOM 1258 O MET A 81 -13.284 4.853 -12.355 1.00 0.00 O ATOM 1259 CB MET A 81 -11.981 2.865 -10.381 1.00 0.00 C ATOM 1260 CG MET A 81 -11.531 1.413 -10.365 1.00 0.00 C ATOM 1261 SD MET A 81 -12.063 0.499 -11.826 1.00 0.00 S ATOM 1262 CE MET A 81 -11.365 -1.113 -11.481 1.00 0.00 C ATOM 0 H MET A 81 -9.703 3.800 -10.212 1.00 0.00 H new ATOM 0 HA MET A 81 -11.323 3.114 -12.419 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.735 3.321 -9.422 1.00 0.00 H new ATOM 0 HB3 MET A 81 -13.066 2.897 -10.480 1.00 0.00 H new ATOM 0 HG2 MET A 81 -10.444 1.375 -10.295 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.925 0.925 -9.474 1.00 0.00 H new ATOM 0 HE1 MET A 81 -11.607 -1.796 -12.295 1.00 0.00 H new ATOM 0 HE2 MET A 81 -10.282 -1.028 -11.388 1.00 0.00 H new ATOM 0 HE3 MET A 81 -11.780 -1.497 -10.549 1.00 0.00 H new ATOM 1272 N SER A 82 -11.733 6.085 -11.293 1.00 0.00 N ATOM 1273 CA SER A 82 -12.426 7.347 -11.496 1.00 0.00 C ATOM 1274 C SER A 82 -11.956 7.998 -12.802 1.00 0.00 C ATOM 1275 O SER A 82 -12.560 8.960 -13.285 1.00 0.00 O ATOM 1276 CB SER A 82 -12.169 8.272 -10.298 1.00 0.00 C ATOM 1277 OG SER A 82 -12.902 9.484 -10.393 1.00 0.00 O ATOM 0 H SER A 82 -10.861 6.165 -10.771 1.00 0.00 H new ATOM 0 HA SER A 82 -13.498 7.167 -11.573 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.440 7.756 -9.377 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.104 8.497 -10.236 1.00 0.00 H new ATOM 0 HG SER A 82 -12.991 9.740 -11.335 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.886 7.450 -13.378 1.00 0.00 N ATOM 1284 CA GLY A 83 -10.337 7.993 -14.608 1.00 0.00 C ATOM 1285 C GLY A 83 -9.284 9.051 -14.349 1.00 0.00 C ATOM 1286 O GLY A 83 -9.022 9.901 -15.201 1.00 0.00 O ATOM 0 H GLY A 83 -10.390 6.637 -13.012 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.901 7.186 -15.196 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.142 8.423 -15.204 1.00 0.00 H new ATOM 1290 N GLN A 84 -8.679 9.001 -13.172 1.00 0.00 N ATOM 1291 CA GLN A 84 -7.683 9.983 -12.786 1.00 0.00 C ATOM 1292 C GLN A 84 -6.272 9.491 -13.091 1.00 0.00 C ATOM 1293 O GLN A 84 -5.981 8.302 -12.967 1.00 0.00 O ATOM 1294 CB GLN A 84 -7.814 10.282 -11.295 1.00 0.00 C ATOM 1295 CG GLN A 84 -9.151 10.893 -10.908 1.00 0.00 C ATOM 1296 CD GLN A 84 -9.420 12.202 -11.621 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -10.036 12.231 -12.685 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -8.937 13.296 -11.050 1.00 0.00 N ATOM 0 H GLN A 84 -8.863 8.287 -12.467 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.856 10.891 -13.363 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.671 9.358 -10.735 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.015 10.961 -10.998 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.949 10.187 -11.138 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.173 11.059 -9.831 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.431 13.229 -10.167 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.071 14.205 -11.494 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.380 10.408 -13.507 1.00 0.00 N ATOM 1308 CA PRO A 85 -3.969 10.099 -13.732 1.00 0.00 C ATOM 1309 C PRO A 85 -3.218 9.933 -12.415 1.00 0.00 C ATOM 1310 O PRO A 85 -3.373 10.740 -11.494 1.00 0.00 O ATOM 1311 CB PRO A 85 -3.436 11.322 -14.499 1.00 0.00 C ATOM 1312 CG PRO A 85 -4.639 12.134 -14.854 1.00 0.00 C ATOM 1313 CD PRO A 85 -5.677 11.810 -13.822 1.00 0.00 C ATOM 0 HA PRO A 85 -3.837 9.162 -14.274 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.743 11.897 -13.885 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.892 11.017 -15.393 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.405 13.199 -14.851 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.994 11.888 -15.855 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.591 12.451 -12.944 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.688 11.934 -14.210 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.404 8.894 -12.331 1.00 0.00 N ATOM 1322 CA LEU A 86 -1.676 8.588 -11.107 1.00 0.00 C ATOM 1323 C LEU A 86 -0.378 9.390 -11.033 1.00 0.00 C ATOM 1324 O LEU A 86 0.272 9.625 -12.054 1.00 0.00 O ATOM 1325 CB LEU A 86 -1.378 7.089 -11.043 1.00 0.00 C ATOM 1326 CG LEU A 86 -2.610 6.184 -11.103 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -2.196 4.725 -11.185 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -3.505 6.415 -9.892 1.00 0.00 C ATOM 0 H LEU A 86 -2.229 8.245 -13.098 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.295 8.866 -10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.714 6.830 -11.868 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.836 6.880 -10.120 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.175 6.434 -12.001 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.085 4.096 -11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.597 4.567 -12.082 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.608 4.464 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.376 5.762 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.949 6.194 -8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.832 7.455 -9.874 1.00 0.00 H new ATOM 1340 N PRO A 87 0.014 9.823 -9.823 1.00 0.00 N ATOM 1341 CA PRO A 87 1.234 10.612 -9.625 1.00 0.00 C ATOM 1342 C PRO A 87 2.503 9.764 -9.729 1.00 0.00 C ATOM 1343 O PRO A 87 2.474 8.557 -9.481 1.00 0.00 O ATOM 1344 CB PRO A 87 1.072 11.153 -8.204 1.00 0.00 C ATOM 1345 CG PRO A 87 0.218 10.149 -7.510 1.00 0.00 C ATOM 1346 CD PRO A 87 -0.703 9.581 -8.557 1.00 0.00 C ATOM 0 HA PRO A 87 1.347 11.385 -10.385 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.037 11.261 -7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.603 12.137 -8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.827 9.364 -7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.350 10.613 -6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.884 8.518 -8.397 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.674 10.075 -8.546 1.00 0.00 H new ATOM 1354 N PRO A 88 3.636 10.383 -10.097 1.00 0.00 N ATOM 1355 CA PRO A 88 4.922 9.686 -10.173 1.00 0.00 C ATOM 1356 C PRO A 88 5.483 9.386 -8.786 1.00 0.00 C ATOM 1357 O PRO A 88 6.221 8.420 -8.595 1.00 0.00 O ATOM 1358 CB PRO A 88 5.820 10.676 -10.916 1.00 0.00 C ATOM 1359 CG PRO A 88 5.231 12.014 -10.628 1.00 0.00 C ATOM 1360 CD PRO A 88 3.748 11.801 -10.489 1.00 0.00 C ATOM 0 HA PRO A 88 4.842 8.719 -10.669 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.851 10.614 -10.567 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.833 10.472 -11.987 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.651 12.435 -9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.449 12.716 -11.432 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.317 12.460 -9.736 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.225 12.001 -11.424 1.00 0.00 H new ATOM 1368 N VAL A 89 5.126 10.228 -7.824 1.00 0.00 N ATOM 1369 CA VAL A 89 5.539 10.046 -6.442 1.00 0.00 C ATOM 1370 C VAL A 89 4.310 10.109 -5.546 1.00 0.00 C ATOM 1371 O VAL A 89 3.317 10.752 -5.895 1.00 0.00 O ATOM 1372 CB VAL A 89 6.549 11.132 -5.993 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.182 10.768 -4.656 1.00 0.00 C ATOM 1374 CG2 VAL A 89 7.624 11.352 -7.050 1.00 0.00 C ATOM 0 H VAL A 89 4.545 11.052 -7.981 1.00 0.00 H new ATOM 0 HA VAL A 89 6.030 9.076 -6.361 1.00 0.00 H new ATOM 0 HB VAL A 89 5.999 12.065 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.887 11.546 -4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.404 10.679 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.708 9.818 -4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.319 12.119 -6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.165 10.421 -7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.158 11.674 -7.981 1.00 0.00 H new ATOM 1384 N LEU A 90 4.367 9.448 -4.407 1.00 0.00 N ATOM 1385 CA LEU A 90 3.236 9.418 -3.497 1.00 0.00 C ATOM 1386 C LEU A 90 3.464 10.403 -2.352 1.00 0.00 C ATOM 1387 O LEU A 90 4.582 10.519 -1.845 1.00 0.00 O ATOM 1388 CB LEU A 90 3.059 7.996 -2.946 1.00 0.00 C ATOM 1389 CG LEU A 90 1.780 7.747 -2.148 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.567 7.726 -3.066 1.00 0.00 C ATOM 1391 CD2 LEU A 90 1.889 6.446 -1.367 1.00 0.00 C ATOM 0 H LEU A 90 5.183 8.925 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 90 2.332 9.708 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.085 7.297 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.913 7.764 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 90 1.651 8.565 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.332 7.547 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.481 8.685 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.682 6.931 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.971 6.282 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.043 5.618 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.732 6.505 -0.678 1.00 0.00 H new ATOM 1403 N PRO A 91 2.408 11.117 -1.928 1.00 0.00 N ATOM 1404 CA PRO A 91 2.475 12.028 -0.786 1.00 0.00 C ATOM 1405 C PRO A 91 2.519 11.280 0.545 1.00 0.00 C ATOM 1406 O PRO A 91 2.019 10.156 0.651 1.00 0.00 O ATOM 1407 CB PRO A 91 1.180 12.855 -0.894 1.00 0.00 C ATOM 1408 CG PRO A 91 0.595 12.521 -2.228 1.00 0.00 C ATOM 1409 CD PRO A 91 1.083 11.143 -2.558 1.00 0.00 C ATOM 0 HA PRO A 91 3.380 12.635 -0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.488 12.605 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.389 13.922 -0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.494 12.552 -2.196 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.912 13.239 -2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.426 10.372 -2.154 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.142 10.980 -3.634 1.00 0.00 H new ATOM 1417 N PRO A 92 3.105 11.903 1.580 1.00 0.00 N ATOM 1418 CA PRO A 92 3.234 11.294 2.913 1.00 0.00 C ATOM 1419 C PRO A 92 1.886 10.960 3.550 1.00 0.00 C ATOM 1420 O PRO A 92 1.786 10.030 4.347 1.00 0.00 O ATOM 1421 CB PRO A 92 3.957 12.366 3.736 1.00 0.00 C ATOM 1422 CG PRO A 92 4.618 13.243 2.733 1.00 0.00 C ATOM 1423 CD PRO A 92 3.716 13.242 1.532 1.00 0.00 C ATOM 0 HA PRO A 92 3.764 10.343 2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.256 12.930 4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.687 11.919 4.411 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.750 14.253 3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.609 12.868 2.478 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.966 14.031 1.590 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.273 13.399 0.608 1.00 0.00 H new ATOM 1431 N GLU A 93 0.849 11.714 3.187 1.00 0.00 N ATOM 1432 CA GLU A 93 -0.487 11.505 3.747 1.00 0.00 C ATOM 1433 C GLU A 93 -1.060 10.146 3.340 1.00 0.00 C ATOM 1434 O GLU A 93 -2.012 9.655 3.948 1.00 0.00 O ATOM 1435 CB GLU A 93 -1.453 12.610 3.297 1.00 0.00 C ATOM 1436 CG GLU A 93 -0.999 14.025 3.635 1.00 0.00 C ATOM 1437 CD GLU A 93 -0.060 14.610 2.600 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -0.546 15.053 1.538 1.00 0.00 O ATOM 1439 OE2 GLU A 93 1.164 14.638 2.844 1.00 0.00 O ATOM 0 H GLU A 93 0.907 12.474 2.509 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.382 11.535 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.593 12.535 2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.425 12.435 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.874 14.668 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.503 14.019 4.605 1.00 0.00 H new ATOM 1446 N TYR A 94 -0.484 9.546 2.309 1.00 0.00 N ATOM 1447 CA TYR A 94 -0.985 8.283 1.791 1.00 0.00 C ATOM 1448 C TYR A 94 -0.130 7.111 2.265 1.00 0.00 C ATOM 1449 O TYR A 94 -0.427 5.959 1.958 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.021 8.317 0.259 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.031 9.286 -0.319 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -1.798 10.657 -0.304 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.217 8.829 -0.885 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -2.715 11.543 -0.834 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.139 9.711 -1.418 1.00 0.00 C ATOM 1456 CZ TYR A 94 -3.885 11.067 -1.390 1.00 0.00 C ATOM 1457 OH TYR A 94 -4.803 11.950 -1.916 1.00 0.00 O ATOM 0 H TYR A 94 0.330 9.913 1.816 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.996 8.142 2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.030 8.580 -0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.243 7.316 -0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.884 11.035 0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.421 7.769 -0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.517 12.605 -0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.054 9.340 -1.855 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.570 11.453 -2.269 1.00 0.00 H new ATOM 1467 N ILE A 95 0.913 7.404 3.028 1.00 0.00 N ATOM 1468 CA ILE A 95 1.837 6.369 3.478 1.00 0.00 C ATOM 1469 C ILE A 95 1.244 5.584 4.649 1.00 0.00 C ATOM 1470 O ILE A 95 0.850 6.166 5.661 1.00 0.00 O ATOM 1471 CB ILE A 95 3.205 6.963 3.882 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.838 7.684 2.688 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.139 5.873 4.397 1.00 0.00 C ATOM 1474 CD1 ILE A 95 5.164 8.339 3.005 1.00 0.00 C ATOM 0 H ILE A 95 1.141 8.345 3.348 1.00 0.00 H new ATOM 0 HA ILE A 95 1.996 5.691 2.639 1.00 0.00 H new ATOM 0 HB ILE A 95 3.045 7.681 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.981 6.969 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.146 8.443 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.096 6.315 4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.693 5.394 5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.296 5.130 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.551 8.829 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.025 9.079 3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.873 7.582 3.339 1.00 0.00 H new ATOM 1486 N PRO A 96 1.166 4.249 4.512 1.00 0.00 N ATOM 1487 CA PRO A 96 0.592 3.370 5.538 1.00 0.00 C ATOM 1488 C PRO A 96 1.385 3.387 6.843 1.00 0.00 C ATOM 1489 O PRO A 96 2.586 3.682 6.856 1.00 0.00 O ATOM 1490 CB PRO A 96 0.650 1.977 4.895 1.00 0.00 C ATOM 1491 CG PRO A 96 1.699 2.082 3.844 1.00 0.00 C ATOM 1492 CD PRO A 96 1.626 3.492 3.337 1.00 0.00 C ATOM 0 HA PRO A 96 -0.413 3.685 5.817 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.903 1.213 5.630 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.313 1.700 4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.686 1.863 4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.521 1.367 3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.596 3.844 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.932 3.584 2.502 1.00 0.00 H new ATOM 1500 N PRO A 97 0.713 3.077 7.967 1.00 0.00 N ATOM 1501 CA PRO A 97 1.349 3.026 9.285 1.00 0.00 C ATOM 1502 C PRO A 97 2.548 2.079 9.307 1.00 0.00 C ATOM 1503 O PRO A 97 2.604 1.124 8.529 1.00 0.00 O ATOM 1504 CB PRO A 97 0.237 2.510 10.205 1.00 0.00 C ATOM 1505 CG PRO A 97 -1.032 2.846 9.502 1.00 0.00 C ATOM 1506 CD PRO A 97 -0.726 2.754 8.035 1.00 0.00 C ATOM 0 HA PRO A 97 1.744 3.996 9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.326 1.436 10.367 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.283 2.985 11.185 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.827 2.154 9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.373 3.847 9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.934 1.759 7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.324 3.457 7.455 1.00 0.00 H new ATOM 1514 N SER A 98 3.514 2.378 10.181 1.00 0.00 N ATOM 1515 CA SER A 98 4.731 1.573 10.343 1.00 0.00 C ATOM 1516 C SER A 98 5.710 1.774 9.181 1.00 0.00 C ATOM 1517 O SER A 98 6.926 1.804 9.385 1.00 0.00 O ATOM 1518 CB SER A 98 4.387 0.089 10.514 1.00 0.00 C ATOM 1519 OG SER A 98 3.544 -0.110 11.638 1.00 0.00 O ATOM 0 H SER A 98 3.475 3.188 10.799 1.00 0.00 H new ATOM 0 HA SER A 98 5.228 1.919 11.250 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.894 -0.280 9.615 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.303 -0.489 10.635 1.00 0.00 H new ATOM 0 HG SER A 98 3.336 -1.064 11.726 1.00 0.00 H new ATOM 1525 N PHE A 99 5.183 1.934 7.974 1.00 0.00 N ATOM 1526 CA PHE A 99 6.007 2.175 6.798 1.00 0.00 C ATOM 1527 C PHE A 99 6.248 3.667 6.621 1.00 0.00 C ATOM 1528 O PHE A 99 6.822 4.104 5.626 1.00 0.00 O ATOM 1529 CB PHE A 99 5.339 1.591 5.551 1.00 0.00 C ATOM 1530 CG PHE A 99 5.227 0.096 5.586 1.00 0.00 C ATOM 1531 CD1 PHE A 99 6.280 -0.695 5.159 1.00 0.00 C ATOM 1532 CD2 PHE A 99 4.076 -0.515 6.051 1.00 0.00 C ATOM 1533 CE1 PHE A 99 6.187 -2.071 5.197 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.977 -1.891 6.094 1.00 0.00 C ATOM 1535 CZ PHE A 99 5.034 -2.670 5.664 1.00 0.00 C ATOM 0 H PHE A 99 4.181 1.901 7.784 1.00 0.00 H new ATOM 0 HA PHE A 99 6.969 1.681 6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.343 2.021 5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.909 1.886 4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.183 -0.230 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.246 0.091 6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.015 -2.679 4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.076 -2.358 6.463 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.958 -3.747 5.693 1.00 0.00 H new ATOM 1545 N ARG A 100 5.829 4.437 7.614 1.00 0.00 N ATOM 1546 CA ARG A 100 5.966 5.890 7.590 1.00 0.00 C ATOM 1547 C ARG A 100 7.412 6.334 7.843 1.00 0.00 C ATOM 1548 O ARG A 100 7.709 7.527 7.856 1.00 0.00 O ATOM 1549 CB ARG A 100 5.025 6.508 8.627 1.00 0.00 C ATOM 1550 CG ARG A 100 3.586 6.634 8.147 1.00 0.00 C ATOM 1551 CD ARG A 100 2.613 6.762 9.310 1.00 0.00 C ATOM 1552 NE ARG A 100 3.062 7.713 10.327 1.00 0.00 N ATOM 1553 CZ ARG A 100 2.251 8.311 11.200 1.00 0.00 C ATOM 1554 NH1 ARG A 100 0.934 8.157 11.114 1.00 0.00 N ATOM 1555 NH2 ARG A 100 2.762 9.072 12.153 1.00 0.00 N ATOM 0 H ARG A 100 5.385 4.076 8.458 1.00 0.00 H new ATOM 0 HA ARG A 100 5.694 6.240 6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.045 5.900 9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.396 7.496 8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.494 7.505 7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.325 5.761 7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.641 7.076 8.931 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.475 5.784 9.771 1.00 0.00 H new ATOM 0 HE ARG A 100 4.057 7.932 10.371 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.535 7.577 10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.322 8.619 11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.772 9.199 12.218 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.146 9.532 12.824 1.00 0.00 H new