USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 190 SER OG : rot 180:sc= 0.0113 USER MOD Set 1.2: A 193 GLN : amide:sc= 0.107 K(o=0.12,f=-5.1!) USER MOD Set 2.1: A 191 THR OG1 : rot 180:sc= 0.221 USER MOD Set 2.2: A 218 SER OG : rot -19:sc= 0.224 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 167 MET CE :methyl -144:sc= -0.546 (180deg=-2.27) USER MOD Single : A 173 TYR OH : rot 15:sc= -1.65 USER MOD Single : A 175 LYS NZ :NH3+ -113:sc= -0.229 (180deg=-0.774) USER MOD Single : A 177 GLN : amide:sc= -3.67! C(o=-3.7!,f=-6.3!) USER MOD Single : A 184 TYR OH : rot -80:sc= -0.821 USER MOD Single : A 188 HIS : no HD1:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 196 HIS : no HD1:sc= -3.03! K(o=-3!,f=-1.1) USER MOD Single : A 202 MET CE :methyl -157:sc= -7.84! (180deg=-8.17!) USER MOD Single : A 203 LYS NZ :NH3+ 170:sc= 1.16 (180deg=0.859) USER MOD Single : A 206 SER OG : rot -57:sc= 0.043 USER MOD Single : A 207 MET CE :methyl 156:sc= -4.84! (180deg=-6.75!) USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 213 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 216 ASN : amide:sc= 0 X(o=0,f=0.038) USER MOD Single : A 223 CYS SG : rot -23:sc= 0.716 USER MOD Single : A 224 SER OG : rot -28:sc= 0.314 USER MOD Single : A 226 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 227 GLN : amide:sc= 0.583 K(o=0.58,f=-0.17) USER MOD Single : A 232 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.16) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 243 HIS : no HE2:sc= -4! C(o=-4!,f=-5.3!) USER MOD Single : A 249 LYS NZ :NH3+ -157:sc= -1.28 (180deg=-2.62!) USER MOD Single : A 250 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 SER OG : rot 42:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 164 -4.850 -3.324 -12.440 1.00 5.98 N ATOM 2 CA GLY A 164 -5.709 -4.526 -12.298 1.00 5.08 C ATOM 3 C GLY A 164 -7.153 -4.159 -12.035 1.00 4.07 C ATOM 4 O GLY A 164 -7.450 -3.010 -11.717 1.00 4.09 O ATOM 0 HA2 GLY A 164 -5.646 -5.126 -13.206 1.00 5.08 H new ATOM 0 HA3 GLY A 164 -5.337 -5.144 -11.481 1.00 5.08 H new ATOM 10 N SER A 165 -8.047 -5.129 -12.167 1.00 3.59 N ATOM 11 CA SER A 165 -9.465 -4.905 -11.913 1.00 3.14 C ATOM 12 C SER A 165 -9.968 -5.853 -10.826 1.00 2.20 C ATOM 13 O SER A 165 -11.118 -6.292 -10.849 1.00 2.60 O ATOM 14 CB SER A 165 -10.263 -5.122 -13.199 1.00 3.93 C ATOM 15 OG SER A 165 -9.686 -4.416 -14.286 1.00 4.65 O ATOM 0 H SER A 165 -7.815 -6.081 -12.449 1.00 3.59 H new ATOM 0 HA SER A 165 -9.601 -3.878 -11.573 1.00 3.14 H new ATOM 0 HB2 SER A 165 -10.300 -6.186 -13.432 1.00 3.93 H new ATOM 0 HB3 SER A 165 -11.291 -4.792 -13.052 1.00 3.93 H new ATOM 0 HG SER A 165 -10.215 -4.573 -15.096 1.00 4.65 H new ATOM 21 N HIS A 166 -9.102 -6.164 -9.874 1.00 1.55 N ATOM 22 CA HIS A 166 -9.433 -7.127 -8.831 1.00 0.98 C ATOM 23 C HIS A 166 -9.956 -6.433 -7.580 1.00 0.85 C ATOM 24 O HIS A 166 -9.206 -5.789 -6.848 1.00 1.45 O ATOM 25 CB HIS A 166 -8.215 -7.990 -8.491 1.00 1.69 C ATOM 26 CG HIS A 166 -7.850 -8.945 -9.586 1.00 2.07 C ATOM 27 ND1 HIS A 166 -8.386 -10.208 -9.631 1.00 2.94 N ATOM 28 CD2 HIS A 166 -7.032 -8.772 -10.653 1.00 2.43 C ATOM 29 CE1 HIS A 166 -7.892 -10.771 -10.720 1.00 3.54 C ATOM 30 NE2 HIS A 166 -7.066 -9.940 -11.371 1.00 3.27 N ATOM 0 H HIS A 166 -8.166 -5.765 -9.801 1.00 1.55 H new ATOM 0 HA HIS A 166 -10.225 -7.771 -9.213 1.00 0.98 H new ATOM 0 HB2 HIS A 166 -7.364 -7.342 -8.283 1.00 1.69 H new ATOM 0 HB3 HIS A 166 -8.418 -8.552 -7.579 1.00 1.69 H new ATOM 0 HD2 HIS A 166 -6.463 -7.885 -10.892 1.00 2.43 H new ATOM 0 HE1 HIS A 166 -8.125 -11.774 -11.045 1.00 3.54 H new ATOM 0 HE2 HIS A 166 -6.560 -10.138 -12.234 1.00 3.27 H new ATOM 38 N MET A 167 -11.249 -6.588 -7.333 1.00 0.64 N ATOM 39 CA MET A 167 -11.906 -5.918 -6.218 1.00 0.52 C ATOM 40 C MET A 167 -11.581 -6.593 -4.889 1.00 0.40 C ATOM 41 O MET A 167 -11.755 -5.988 -3.833 1.00 0.39 O ATOM 42 CB MET A 167 -13.420 -5.894 -6.434 1.00 0.71 C ATOM 43 CG MET A 167 -13.858 -5.116 -7.666 1.00 0.99 C ATOM 44 SD MET A 167 -13.444 -3.361 -7.571 1.00 0.96 S ATOM 45 CE MET A 167 -14.368 -2.874 -6.116 1.00 1.20 C ATOM 0 H MET A 167 -11.867 -7.175 -7.893 1.00 0.64 H new ATOM 0 HA MET A 167 -11.530 -4.896 -6.177 1.00 0.52 H new ATOM 0 HB2 MET A 167 -13.781 -6.919 -6.517 1.00 0.71 H new ATOM 0 HB3 MET A 167 -13.895 -5.459 -5.555 1.00 0.71 H new ATOM 0 HG2 MET A 167 -13.387 -5.548 -8.549 1.00 0.99 H new ATOM 0 HG3 MET A 167 -14.935 -5.224 -7.794 1.00 0.99 H new ATOM 0 HE1 MET A 167 -14.756 -1.865 -6.252 1.00 1.20 H new ATOM 0 HE2 MET A 167 -15.198 -3.564 -5.964 1.00 1.20 H new ATOM 0 HE3 MET A 167 -13.713 -2.896 -5.245 1.00 1.20 H new ATOM 55 N ALA A 168 -11.095 -7.834 -4.950 1.00 0.41 N ATOM 56 CA ALA A 168 -10.760 -8.604 -3.747 1.00 0.40 C ATOM 57 C ALA A 168 -9.839 -7.819 -2.822 1.00 0.31 C ATOM 58 O ALA A 168 -10.171 -7.572 -1.660 1.00 0.35 O ATOM 59 CB ALA A 168 -10.114 -9.926 -4.133 1.00 0.53 C ATOM 0 H ALA A 168 -10.923 -8.331 -5.824 1.00 0.41 H new ATOM 0 HA ALA A 168 -11.686 -8.802 -3.208 1.00 0.40 H new ATOM 0 HB1 ALA A 168 -9.870 -10.489 -3.232 1.00 0.53 H new ATOM 0 HB2 ALA A 168 -10.806 -10.504 -4.745 1.00 0.53 H new ATOM 0 HB3 ALA A 168 -9.202 -9.734 -4.699 1.00 0.53 H new ATOM 65 N ALA A 169 -8.696 -7.408 -3.348 1.00 0.28 N ATOM 66 CA ALA A 169 -7.729 -6.665 -2.560 1.00 0.24 C ATOM 67 C ALA A 169 -8.242 -5.264 -2.257 1.00 0.20 C ATOM 68 O ALA A 169 -8.036 -4.741 -1.161 1.00 0.19 O ATOM 69 CB ALA A 169 -6.391 -6.601 -3.280 1.00 0.31 C ATOM 0 H ALA A 169 -8.417 -7.576 -4.315 1.00 0.28 H new ATOM 0 HA ALA A 169 -7.586 -7.187 -1.614 1.00 0.24 H new ATOM 0 HB1 ALA A 169 -5.679 -6.040 -2.675 1.00 0.31 H new ATOM 0 HB2 ALA A 169 -6.015 -7.612 -3.440 1.00 0.31 H new ATOM 0 HB3 ALA A 169 -6.519 -6.105 -4.242 1.00 0.31 H new ATOM 75 N LEU A 170 -8.940 -4.668 -3.222 1.00 0.21 N ATOM 76 CA LEU A 170 -9.396 -3.293 -3.081 1.00 0.19 C ATOM 77 C LEU A 170 -10.423 -3.168 -1.967 1.00 0.16 C ATOM 78 O LEU A 170 -10.207 -2.426 -1.012 1.00 0.17 O ATOM 79 CB LEU A 170 -9.993 -2.755 -4.380 1.00 0.23 C ATOM 80 CG LEU A 170 -10.263 -1.251 -4.352 1.00 0.26 C ATOM 81 CD1 LEU A 170 -8.955 -0.482 -4.420 1.00 0.29 C ATOM 82 CD2 LEU A 170 -11.189 -0.838 -5.478 1.00 0.29 C ATOM 0 H LEU A 170 -9.199 -5.114 -4.102 1.00 0.21 H new ATOM 0 HA LEU A 170 -8.518 -2.698 -2.831 1.00 0.19 H new ATOM 0 HB2 LEU A 170 -9.313 -2.978 -5.202 1.00 0.23 H new ATOM 0 HB3 LEU A 170 -10.926 -3.279 -4.586 1.00 0.23 H new ATOM 0 HG LEU A 170 -10.760 -1.012 -3.412 1.00 0.26 H new ATOM 0 HD11 LEU A 170 -9.161 0.588 -4.399 1.00 0.29 H new ATOM 0 HD12 LEU A 170 -8.332 -0.748 -3.566 1.00 0.29 H new ATOM 0 HD13 LEU A 170 -8.433 -0.733 -5.343 1.00 0.29 H new ATOM 0 HD21 LEU A 170 -11.362 0.237 -5.431 1.00 0.29 H new ATOM 0 HD22 LEU A 170 -10.733 -1.091 -6.435 1.00 0.29 H new ATOM 0 HD23 LEU A 170 -12.139 -1.363 -5.379 1.00 0.29 H new ATOM 94 N GLU A 171 -11.529 -3.905 -2.086 1.00 0.19 N ATOM 95 CA GLU A 171 -12.588 -3.871 -1.079 1.00 0.24 C ATOM 96 C GLU A 171 -12.036 -4.246 0.274 1.00 0.22 C ATOM 97 O GLU A 171 -12.506 -3.762 1.298 1.00 0.26 O ATOM 98 CB GLU A 171 -13.728 -4.819 -1.440 1.00 0.36 C ATOM 99 CG GLU A 171 -14.598 -4.315 -2.568 1.00 1.00 C ATOM 100 CD GLU A 171 -15.627 -5.336 -3.008 1.00 1.16 C ATOM 101 OE1 GLU A 171 -15.269 -6.272 -3.757 1.00 1.10 O ATOM 102 OE2 GLU A 171 -16.796 -5.222 -2.592 1.00 1.46 O ATOM 0 H GLU A 171 -11.713 -4.532 -2.869 1.00 0.19 H new ATOM 0 HA GLU A 171 -12.979 -2.854 -1.046 1.00 0.24 H new ATOM 0 HB2 GLU A 171 -13.311 -5.787 -1.718 1.00 0.36 H new ATOM 0 HB3 GLU A 171 -14.348 -4.981 -0.558 1.00 0.36 H new ATOM 0 HG2 GLU A 171 -15.107 -3.405 -2.251 1.00 1.00 H new ATOM 0 HG3 GLU A 171 -13.968 -4.049 -3.417 1.00 1.00 H new ATOM 109 N GLY A 172 -11.025 -5.097 0.266 1.00 0.19 N ATOM 110 CA GLY A 172 -10.403 -5.502 1.495 1.00 0.22 C ATOM 111 C GLY A 172 -9.812 -4.327 2.240 1.00 0.19 C ATOM 112 O GLY A 172 -10.173 -4.068 3.389 1.00 0.22 O ATOM 0 H GLY A 172 -10.626 -5.513 -0.576 1.00 0.19 H new ATOM 0 HA2 GLY A 172 -11.138 -6.000 2.127 1.00 0.22 H new ATOM 0 HA3 GLY A 172 -9.619 -6.229 1.283 1.00 0.22 H new ATOM 116 N TYR A 173 -8.904 -3.611 1.593 1.00 0.17 N ATOM 117 CA TYR A 173 -8.225 -2.506 2.243 1.00 0.16 C ATOM 118 C TYR A 173 -9.103 -1.257 2.300 1.00 0.16 C ATOM 119 O TYR A 173 -9.100 -0.562 3.300 1.00 0.18 O ATOM 120 CB TYR A 173 -6.895 -2.201 1.556 1.00 0.17 C ATOM 121 CG TYR A 173 -6.080 -1.155 2.281 1.00 0.16 C ATOM 122 CD1 TYR A 173 -5.801 -1.282 3.639 1.00 0.19 C ATOM 123 CD2 TYR A 173 -5.598 -0.037 1.616 1.00 0.17 C ATOM 124 CE1 TYR A 173 -5.069 -0.322 4.308 1.00 0.20 C ATOM 125 CE2 TYR A 173 -4.862 0.925 2.280 1.00 0.20 C ATOM 126 CZ TYR A 173 -4.603 0.778 3.624 1.00 0.19 C ATOM 127 OH TYR A 173 -3.879 1.739 4.288 1.00 0.24 O ATOM 0 H TYR A 173 -8.624 -3.775 0.626 1.00 0.17 H new ATOM 0 HA TYR A 173 -8.020 -2.811 3.269 1.00 0.16 H new ATOM 0 HB2 TYR A 173 -6.313 -3.119 1.481 1.00 0.17 H new ATOM 0 HB3 TYR A 173 -7.088 -1.862 0.538 1.00 0.17 H new ATOM 0 HD1 TYR A 173 -6.163 -2.145 4.178 1.00 0.19 H new ATOM 0 HD2 TYR A 173 -5.801 0.083 0.562 1.00 0.17 H new ATOM 0 HE1 TYR A 173 -4.863 -0.433 5.362 1.00 0.20 H new ATOM 0 HE2 TYR A 173 -4.492 1.788 1.747 1.00 0.20 H new ATOM 0 HH TYR A 173 -3.584 1.387 5.154 1.00 0.24 H new ATOM 137 N ARG A 174 -9.855 -0.962 1.240 1.00 0.18 N ATOM 138 CA ARG A 174 -10.758 0.193 1.242 1.00 0.23 C ATOM 139 C ARG A 174 -11.820 0.076 2.331 1.00 0.23 C ATOM 140 O ARG A 174 -12.185 1.088 2.929 1.00 0.25 O ATOM 141 CB ARG A 174 -11.430 0.411 -0.114 1.00 0.31 C ATOM 142 CG ARG A 174 -12.575 -0.542 -0.416 1.00 0.93 C ATOM 143 CD ARG A 174 -13.610 0.120 -1.308 1.00 0.74 C ATOM 144 NE ARG A 174 -14.219 1.274 -0.647 1.00 1.05 N ATOM 145 CZ ARG A 174 -14.417 2.458 -1.225 1.00 1.35 C ATOM 146 NH1 ARG A 174 -14.083 2.655 -2.492 1.00 1.31 N ATOM 147 NH2 ARG A 174 -14.948 3.449 -0.524 1.00 2.09 N ATOM 0 H ARG A 174 -9.859 -1.501 0.374 1.00 0.18 H new ATOM 0 HA ARG A 174 -10.133 1.061 1.452 1.00 0.23 H new ATOM 0 HB2 ARG A 174 -11.805 1.433 -0.158 1.00 0.31 H new ATOM 0 HB3 ARG A 174 -10.678 0.313 -0.897 1.00 0.31 H new ATOM 0 HG2 ARG A 174 -12.189 -1.438 -0.903 1.00 0.93 H new ATOM 0 HG3 ARG A 174 -13.043 -0.862 0.515 1.00 0.93 H new ATOM 0 HD2 ARG A 174 -13.141 0.437 -2.240 1.00 0.74 H new ATOM 0 HD3 ARG A 174 -14.383 -0.602 -1.570 1.00 0.74 H new ATOM 0 HE ARG A 174 -14.512 1.165 0.324 1.00 1.05 H new ATOM 0 HH11 ARG A 174 -13.670 1.896 -3.034 1.00 1.31 H new ATOM 0 HH12 ARG A 174 -14.239 3.565 -2.925 1.00 1.31 H new ATOM 0 HH21 ARG A 174 -15.203 3.303 0.453 1.00 2.09 H new ATOM 0 HH22 ARG A 174 -15.102 4.358 -0.961 1.00 2.09 H new ATOM 161 N LYS A 175 -12.301 -1.123 2.625 1.00 0.22 N ATOM 162 CA LYS A 175 -13.243 -1.279 3.729 1.00 0.25 C ATOM 163 C LYS A 175 -12.520 -0.978 5.048 1.00 0.24 C ATOM 164 O LYS A 175 -13.146 -0.672 6.065 1.00 0.29 O ATOM 165 CB LYS A 175 -13.853 -2.687 3.745 1.00 0.26 C ATOM 166 CG LYS A 175 -12.997 -3.706 4.480 1.00 0.89 C ATOM 167 CD LYS A 175 -13.626 -5.088 4.485 1.00 0.84 C ATOM 168 CE LYS A 175 -12.839 -6.042 5.367 1.00 1.71 C ATOM 169 NZ LYS A 175 -11.424 -6.168 4.933 1.00 2.34 N ATOM 0 H LYS A 175 -12.064 -1.983 2.131 1.00 0.22 H new ATOM 0 HA LYS A 175 -14.066 -0.576 3.599 1.00 0.25 H new ATOM 0 HB2 LYS A 175 -14.836 -2.644 4.213 1.00 0.26 H new ATOM 0 HB3 LYS A 175 -14.003 -3.022 2.719 1.00 0.26 H new ATOM 0 HG2 LYS A 175 -12.014 -3.758 4.011 1.00 0.89 H new ATOM 0 HG3 LYS A 175 -12.843 -3.375 5.507 1.00 0.89 H new ATOM 0 HD2 LYS A 175 -14.654 -5.022 4.841 1.00 0.84 H new ATOM 0 HD3 LYS A 175 -13.666 -5.477 3.468 1.00 0.84 H new ATOM 0 HE2 LYS A 175 -12.871 -5.691 6.398 1.00 1.71 H new ATOM 0 HE3 LYS A 175 -13.312 -7.024 5.350 1.00 1.71 H new ATOM 0 HZ1 LYS A 175 -11.254 -7.130 4.577 1.00 2.34 H new ATOM 0 HZ2 LYS A 175 -11.230 -5.480 4.177 1.00 2.34 H new ATOM 0 HZ3 LYS A 175 -10.795 -5.982 5.740 1.00 2.34 H new ATOM 183 N GLU A 176 -11.191 -1.058 5.000 1.00 0.20 N ATOM 184 CA GLU A 176 -10.343 -0.789 6.152 1.00 0.18 C ATOM 185 C GLU A 176 -9.938 0.690 6.191 1.00 0.20 C ATOM 186 O GLU A 176 -9.463 1.187 7.210 1.00 0.44 O ATOM 187 CB GLU A 176 -9.079 -1.658 6.099 1.00 0.19 C ATOM 188 CG GLU A 176 -8.360 -1.769 7.433 1.00 0.24 C ATOM 189 CD GLU A 176 -9.116 -2.649 8.411 1.00 0.34 C ATOM 190 OE1 GLU A 176 -9.295 -3.857 8.124 1.00 0.70 O ATOM 191 OE2 GLU A 176 -9.539 -2.147 9.470 1.00 0.69 O ATOM 0 H GLU A 176 -10.675 -1.312 4.158 1.00 0.20 H new ATOM 0 HA GLU A 176 -10.910 -1.028 7.051 1.00 0.18 H new ATOM 0 HB2 GLU A 176 -9.349 -2.657 5.757 1.00 0.19 H new ATOM 0 HB3 GLU A 176 -8.394 -1.243 5.360 1.00 0.19 H new ATOM 0 HG2 GLU A 176 -7.362 -2.177 7.275 1.00 0.24 H new ATOM 0 HG3 GLU A 176 -8.234 -0.775 7.862 1.00 0.24 H new ATOM 198 N GLN A 177 -10.159 1.409 5.088 1.00 0.29 N ATOM 199 CA GLN A 177 -9.638 2.768 4.953 1.00 0.22 C ATOM 200 C GLN A 177 -10.683 3.779 5.379 1.00 0.25 C ATOM 201 O GLN A 177 -10.426 4.640 6.216 1.00 0.25 O ATOM 202 CB GLN A 177 -9.238 3.066 3.506 1.00 0.21 C ATOM 203 CG GLN A 177 -8.105 2.211 2.980 1.00 0.20 C ATOM 204 CD GLN A 177 -7.739 2.565 1.553 1.00 0.22 C ATOM 205 OE1 GLN A 177 -8.288 2.015 0.602 1.00 0.24 O ATOM 206 NE2 GLN A 177 -6.805 3.486 1.392 1.00 0.24 N ATOM 0 H GLN A 177 -10.690 1.076 4.284 1.00 0.29 H new ATOM 0 HA GLN A 177 -8.759 2.844 5.593 1.00 0.22 H new ATOM 0 HB2 GLN A 177 -10.109 2.927 2.865 1.00 0.21 H new ATOM 0 HB3 GLN A 177 -8.951 4.115 3.430 1.00 0.21 H new ATOM 0 HG2 GLN A 177 -7.231 2.335 3.619 1.00 0.20 H new ATOM 0 HG3 GLN A 177 -8.391 1.160 3.031 1.00 0.20 H new ATOM 0 HE21 GLN A 177 -6.372 3.921 2.207 1.00 0.24 H new ATOM 0 HE22 GLN A 177 -6.518 3.762 0.453 1.00 0.24 H new ATOM 215 N GLU A 178 -11.871 3.646 4.816 1.00 0.27 N ATOM 216 CA GLU A 178 -12.934 4.608 5.066 1.00 0.31 C ATOM 217 C GLU A 178 -13.373 4.564 6.528 1.00 0.33 C ATOM 218 O GLU A 178 -13.895 5.536 7.067 1.00 0.36 O ATOM 219 CB GLU A 178 -14.111 4.360 4.119 1.00 0.35 C ATOM 220 CG GLU A 178 -14.549 2.912 4.004 1.00 0.39 C ATOM 221 CD GLU A 178 -15.580 2.735 2.909 1.00 0.46 C ATOM 222 OE1 GLU A 178 -16.691 3.279 3.051 1.00 0.71 O ATOM 223 OE2 GLU A 178 -15.276 2.087 1.885 1.00 0.41 O ATOM 0 H GLU A 178 -12.125 2.886 4.185 1.00 0.27 H new ATOM 0 HA GLU A 178 -12.551 5.609 4.870 1.00 0.31 H new ATOM 0 HB2 GLU A 178 -14.960 4.955 4.456 1.00 0.35 H new ATOM 0 HB3 GLU A 178 -13.842 4.722 3.127 1.00 0.35 H new ATOM 0 HG2 GLU A 178 -13.683 2.283 3.796 1.00 0.39 H new ATOM 0 HG3 GLU A 178 -14.964 2.579 4.955 1.00 0.39 H new ATOM 230 N ARG A 179 -13.120 3.428 7.164 1.00 0.34 N ATOM 231 CA ARG A 179 -13.469 3.212 8.564 1.00 0.40 C ATOM 232 C ARG A 179 -12.470 3.905 9.497 1.00 0.35 C ATOM 233 O ARG A 179 -12.755 4.136 10.672 1.00 0.38 O ATOM 234 CB ARG A 179 -13.496 1.705 8.836 1.00 0.48 C ATOM 235 CG ARG A 179 -13.831 1.326 10.268 1.00 0.65 C ATOM 236 CD ARG A 179 -13.938 -0.180 10.422 1.00 0.83 C ATOM 237 NE ARG A 179 -14.317 -0.570 11.777 1.00 1.03 N ATOM 238 CZ ARG A 179 -15.518 -1.037 12.104 1.00 1.80 C ATOM 239 NH1 ARG A 179 -16.481 -1.090 11.191 1.00 2.15 N ATOM 240 NH2 ARG A 179 -15.761 -1.426 13.346 1.00 2.55 N ATOM 0 H ARG A 179 -12.666 2.628 6.724 1.00 0.34 H new ATOM 0 HA ARG A 179 -14.451 3.643 8.759 1.00 0.40 H new ATOM 0 HB2 ARG A 179 -14.226 1.242 8.172 1.00 0.48 H new ATOM 0 HB3 ARG A 179 -12.523 1.286 8.582 1.00 0.48 H new ATOM 0 HG2 ARG A 179 -13.062 1.710 10.939 1.00 0.65 H new ATOM 0 HG3 ARG A 179 -14.772 1.793 10.561 1.00 0.65 H new ATOM 0 HD2 ARG A 179 -14.674 -0.564 9.716 1.00 0.83 H new ATOM 0 HD3 ARG A 179 -12.982 -0.638 10.168 1.00 0.83 H new ATOM 0 HE ARG A 179 -13.620 -0.479 12.516 1.00 1.03 H new ATOM 0 HH11 ARG A 179 -16.299 -0.772 10.239 1.00 2.15 H new ATOM 0 HH12 ARG A 179 -17.402 -1.448 11.442 1.00 2.15 H new ATOM 0 HH21 ARG A 179 -15.027 -1.367 14.052 1.00 2.55 H new ATOM 0 HH22 ARG A 179 -16.682 -1.784 13.597 1.00 2.55 H new ATOM 254 N LEU A 180 -11.315 4.255 8.955 1.00 0.30 N ATOM 255 CA LEU A 180 -10.214 4.802 9.747 1.00 0.28 C ATOM 256 C LEU A 180 -9.763 6.158 9.216 1.00 0.25 C ATOM 257 O LEU A 180 -8.960 6.842 9.853 1.00 0.24 O ATOM 258 CB LEU A 180 -9.031 3.830 9.745 1.00 0.28 C ATOM 259 CG LEU A 180 -9.297 2.468 10.393 1.00 0.33 C ATOM 260 CD1 LEU A 180 -8.060 1.588 10.308 1.00 0.35 C ATOM 261 CD2 LEU A 180 -9.724 2.643 11.844 1.00 0.38 C ATOM 0 H LEU A 180 -11.110 4.171 7.959 1.00 0.30 H new ATOM 0 HA LEU A 180 -10.575 4.939 10.766 1.00 0.28 H new ATOM 0 HB2 LEU A 180 -8.718 3.667 8.714 1.00 0.28 H new ATOM 0 HB3 LEU A 180 -8.195 4.301 10.261 1.00 0.28 H new ATOM 0 HG LEU A 180 -10.107 1.981 9.850 1.00 0.33 H new ATOM 0 HD11 LEU A 180 -8.267 0.624 10.773 1.00 0.35 H new ATOM 0 HD12 LEU A 180 -7.792 1.436 9.262 1.00 0.35 H new ATOM 0 HD13 LEU A 180 -7.233 2.072 10.828 1.00 0.35 H new ATOM 0 HD21 LEU A 180 -9.909 1.665 12.289 1.00 0.38 H new ATOM 0 HD22 LEU A 180 -8.933 3.150 12.397 1.00 0.38 H new ATOM 0 HD23 LEU A 180 -10.636 3.239 11.886 1.00 0.38 H new ATOM 273 N GLY A 181 -10.268 6.541 8.057 1.00 0.24 N ATOM 274 CA GLY A 181 -9.925 7.831 7.489 1.00 0.22 C ATOM 275 C GLY A 181 -8.721 7.743 6.573 1.00 0.18 C ATOM 276 O GLY A 181 -8.285 8.744 6.007 1.00 0.18 O ATOM 0 H GLY A 181 -10.911 5.983 7.496 1.00 0.24 H new ATOM 0 HA2 GLY A 181 -10.777 8.221 6.932 1.00 0.22 H new ATOM 0 HA3 GLY A 181 -9.719 8.538 8.292 1.00 0.22 H new ATOM 280 N ILE A 182 -8.186 6.532 6.438 1.00 0.17 N ATOM 281 CA ILE A 182 -7.003 6.288 5.619 1.00 0.16 C ATOM 282 C ILE A 182 -7.263 6.672 4.162 1.00 0.15 C ATOM 283 O ILE A 182 -8.233 6.213 3.554 1.00 0.17 O ATOM 284 CB ILE A 182 -6.571 4.805 5.698 1.00 0.17 C ATOM 285 CG1 ILE A 182 -6.253 4.422 7.148 1.00 0.20 C ATOM 286 CG2 ILE A 182 -5.367 4.549 4.800 1.00 0.19 C ATOM 287 CD1 ILE A 182 -5.841 2.974 7.333 1.00 0.22 C ATOM 0 H ILE A 182 -8.558 5.697 6.891 1.00 0.17 H new ATOM 0 HA ILE A 182 -6.197 6.909 6.010 1.00 0.16 H new ATOM 0 HB ILE A 182 -7.395 4.184 5.348 1.00 0.17 H new ATOM 0 HG12 ILE A 182 -5.453 5.065 7.515 1.00 0.20 H new ATOM 0 HG13 ILE A 182 -7.130 4.620 7.765 1.00 0.20 H new ATOM 0 HG21 ILE A 182 -5.078 3.500 4.869 1.00 0.19 H new ATOM 0 HG22 ILE A 182 -5.626 4.787 3.768 1.00 0.19 H new ATOM 0 HG23 ILE A 182 -4.535 5.176 5.119 1.00 0.19 H new ATOM 0 HD11 ILE A 182 -5.634 2.786 8.387 1.00 0.22 H new ATOM 0 HD12 ILE A 182 -6.647 2.321 7.000 1.00 0.22 H new ATOM 0 HD13 ILE A 182 -4.945 2.773 6.746 1.00 0.22 H new ATOM 299 N PRO A 183 -6.408 7.540 3.597 1.00 0.14 N ATOM 300 CA PRO A 183 -6.542 8.004 2.218 1.00 0.15 C ATOM 301 C PRO A 183 -6.276 6.898 1.209 1.00 0.14 C ATOM 302 O PRO A 183 -5.431 6.026 1.415 1.00 0.16 O ATOM 303 CB PRO A 183 -5.483 9.104 2.083 1.00 0.20 C ATOM 304 CG PRO A 183 -5.036 9.405 3.474 1.00 0.24 C ATOM 305 CD PRO A 183 -5.245 8.144 4.258 1.00 0.15 C ATOM 0 HA PRO A 183 -7.555 8.350 2.015 1.00 0.15 H new ATOM 0 HB2 PRO A 183 -4.648 8.770 1.467 1.00 0.20 H new ATOM 0 HB3 PRO A 183 -5.898 9.991 1.604 1.00 0.20 H new ATOM 0 HG2 PRO A 183 -3.988 9.705 3.491 1.00 0.24 H new ATOM 0 HG3 PRO A 183 -5.610 10.228 3.899 1.00 0.24 H new ATOM 0 HD2 PRO A 183 -4.372 7.492 4.216 1.00 0.15 H new ATOM 0 HD3 PRO A 183 -5.439 8.350 5.311 1.00 0.15 H new ATOM 313 N TYR A 184 -7.024 6.953 0.124 1.00 0.15 N ATOM 314 CA TYR A 184 -6.917 5.995 -0.956 1.00 0.16 C ATOM 315 C TYR A 184 -5.613 6.181 -1.727 1.00 0.16 C ATOM 316 O TYR A 184 -4.976 5.212 -2.130 1.00 0.19 O ATOM 317 CB TYR A 184 -8.082 6.197 -1.905 1.00 0.17 C ATOM 318 CG TYR A 184 -8.935 4.968 -2.132 1.00 0.10 C ATOM 319 CD1 TYR A 184 -8.471 3.915 -2.903 1.00 0.23 C ATOM 320 CD2 TYR A 184 -10.219 4.881 -1.610 1.00 0.30 C ATOM 321 CE1 TYR A 184 -9.255 2.811 -3.153 1.00 0.27 C ATOM 322 CE2 TYR A 184 -11.010 3.772 -1.848 1.00 0.42 C ATOM 323 CZ TYR A 184 -10.521 2.741 -2.626 1.00 0.36 C ATOM 324 OH TYR A 184 -11.304 1.640 -2.887 1.00 0.50 O ATOM 0 H TYR A 184 -7.730 7.672 -0.033 1.00 0.15 H new ATOM 0 HA TYR A 184 -6.930 4.990 -0.534 1.00 0.16 H new ATOM 0 HB2 TYR A 184 -8.715 6.995 -1.516 1.00 0.17 H new ATOM 0 HB3 TYR A 184 -7.695 6.536 -2.866 1.00 0.17 H new ATOM 0 HD1 TYR A 184 -7.474 3.961 -3.316 1.00 0.23 H new ATOM 0 HD2 TYR A 184 -10.605 5.691 -1.009 1.00 0.30 H new ATOM 0 HE1 TYR A 184 -8.876 2.003 -3.761 1.00 0.27 H new ATOM 0 HE2 TYR A 184 -12.003 3.713 -1.428 1.00 0.42 H new ATOM 0 HH TYR A 184 -11.704 1.727 -3.778 1.00 0.50 H new ATOM 334 N ASP A 185 -5.237 7.440 -1.941 1.00 0.16 N ATOM 335 CA ASP A 185 -4.034 7.761 -2.706 1.00 0.17 C ATOM 336 C ASP A 185 -2.812 7.756 -1.788 1.00 0.14 C ATOM 337 O ASP A 185 -2.829 8.353 -0.710 1.00 0.17 O ATOM 338 CB ASP A 185 -4.176 9.125 -3.393 1.00 0.27 C ATOM 339 CG ASP A 185 -3.049 9.410 -4.371 1.00 0.33 C ATOM 340 OD1 ASP A 185 -2.003 9.942 -3.952 1.00 0.58 O ATOM 341 OD2 ASP A 185 -3.203 9.105 -5.571 1.00 0.74 O ATOM 0 H ASP A 185 -5.747 8.253 -1.596 1.00 0.16 H new ATOM 0 HA ASP A 185 -3.901 7.002 -3.477 1.00 0.17 H new ATOM 0 HB2 ASP A 185 -5.128 9.163 -3.922 1.00 0.27 H new ATOM 0 HB3 ASP A 185 -4.200 9.908 -2.635 1.00 0.27 H new ATOM 346 N PRO A 186 -1.735 7.076 -2.221 1.00 0.13 N ATOM 347 CA PRO A 186 -0.558 6.794 -1.385 1.00 0.11 C ATOM 348 C PRO A 186 0.143 8.030 -0.846 1.00 0.12 C ATOM 349 O PRO A 186 0.724 7.995 0.236 1.00 0.13 O ATOM 350 CB PRO A 186 0.391 6.044 -2.326 1.00 0.13 C ATOM 351 CG PRO A 186 -0.093 6.351 -3.696 1.00 0.20 C ATOM 352 CD PRO A 186 -1.577 6.522 -3.573 1.00 0.18 C ATOM 0 HA PRO A 186 -0.859 6.240 -0.496 1.00 0.11 H new ATOM 0 HB2 PRO A 186 1.421 6.373 -2.190 1.00 0.13 H new ATOM 0 HB3 PRO A 186 0.371 4.971 -2.133 1.00 0.13 H new ATOM 0 HG2 PRO A 186 0.375 7.256 -4.083 1.00 0.20 H new ATOM 0 HG3 PRO A 186 0.152 5.545 -4.388 1.00 0.20 H new ATOM 0 HD2 PRO A 186 -1.970 7.196 -4.334 1.00 0.18 H new ATOM 0 HD3 PRO A 186 -2.103 5.574 -3.685 1.00 0.18 H new ATOM 360 N ILE A 187 0.101 9.117 -1.597 1.00 0.13 N ATOM 361 CA ILE A 187 0.877 10.291 -1.248 1.00 0.17 C ATOM 362 C ILE A 187 0.353 10.968 0.017 1.00 0.19 C ATOM 363 O ILE A 187 1.113 11.634 0.720 1.00 0.22 O ATOM 364 CB ILE A 187 0.934 11.316 -2.407 1.00 0.25 C ATOM 365 CG1 ILE A 187 2.134 12.252 -2.228 1.00 0.42 C ATOM 366 CG2 ILE A 187 -0.355 12.123 -2.479 1.00 0.29 C ATOM 367 CD1 ILE A 187 2.334 13.213 -3.381 1.00 0.55 C ATOM 0 H ILE A 187 -0.458 9.210 -2.445 1.00 0.13 H new ATOM 0 HA ILE A 187 1.889 9.936 -1.054 1.00 0.17 H new ATOM 0 HB ILE A 187 1.049 10.768 -3.342 1.00 0.25 H new ATOM 0 HG12 ILE A 187 2.004 12.823 -1.309 1.00 0.42 H new ATOM 0 HG13 ILE A 187 3.036 11.652 -2.106 1.00 0.42 H new ATOM 0 HG21 ILE A 187 -0.292 12.837 -3.301 1.00 0.29 H new ATOM 0 HG22 ILE A 187 -1.196 11.451 -2.646 1.00 0.29 H new ATOM 0 HG23 ILE A 187 -0.501 12.660 -1.542 1.00 0.29 H new ATOM 0 HD11 ILE A 187 3.201 13.843 -3.183 1.00 0.55 H new ATOM 0 HD12 ILE A 187 2.496 12.650 -4.300 1.00 0.55 H new ATOM 0 HD13 ILE A 187 1.448 13.839 -3.491 1.00 0.55 H new ATOM 379 N HIS A 188 -0.934 10.809 0.331 1.00 0.18 N ATOM 380 CA HIS A 188 -1.495 11.498 1.486 1.00 0.20 C ATOM 381 C HIS A 188 -1.399 10.658 2.756 1.00 0.19 C ATOM 382 O HIS A 188 -1.864 11.088 3.815 1.00 0.22 O ATOM 383 CB HIS A 188 -2.960 11.880 1.259 1.00 0.25 C ATOM 384 CG HIS A 188 -3.218 12.704 0.038 1.00 0.32 C ATOM 385 ND1 HIS A 188 -2.841 14.020 -0.035 1.00 0.39 N ATOM 386 CD2 HIS A 188 -3.853 12.360 -1.105 1.00 0.42 C ATOM 387 CE1 HIS A 188 -3.261 14.447 -1.216 1.00 0.48 C ATOM 388 NE2 HIS A 188 -3.881 13.476 -1.900 1.00 0.50 N ATOM 0 H HIS A 188 -1.590 10.224 -0.186 1.00 0.18 H new ATOM 0 HA HIS A 188 -0.900 12.402 1.613 1.00 0.20 H new ATOM 0 HB2 HIS A 188 -3.552 10.967 1.194 1.00 0.25 H new ATOM 0 HB3 HIS A 188 -3.316 12.429 2.131 1.00 0.25 H new ATOM 0 HD2 HIS A 188 -4.261 11.389 -1.346 1.00 0.42 H new ATOM 0 HE1 HIS A 188 -3.121 15.453 -1.582 1.00 0.48 H new ATOM 0 HE2 HIS A 188 -4.293 13.552 -2.830 1.00 0.50 H new ATOM 396 N TRP A 189 -0.806 9.466 2.669 1.00 0.18 N ATOM 397 CA TRP A 189 -0.742 8.585 3.836 1.00 0.19 C ATOM 398 C TRP A 189 0.154 9.198 4.905 1.00 0.20 C ATOM 399 O TRP A 189 1.114 9.906 4.597 1.00 0.20 O ATOM 400 CB TRP A 189 -0.163 7.199 3.510 1.00 0.18 C ATOM 401 CG TRP A 189 -0.948 6.334 2.573 1.00 0.15 C ATOM 402 CD1 TRP A 189 -2.298 6.309 2.393 1.00 0.18 C ATOM 403 CD2 TRP A 189 -0.404 5.320 1.714 1.00 0.12 C ATOM 404 NE1 TRP A 189 -2.627 5.357 1.456 1.00 0.15 N ATOM 405 CE2 TRP A 189 -1.479 4.736 1.025 1.00 0.12 C ATOM 406 CE3 TRP A 189 0.897 4.861 1.453 1.00 0.11 C ATOM 407 CZ2 TRP A 189 -1.298 3.714 0.093 1.00 0.12 C ATOM 408 CZ3 TRP A 189 1.078 3.846 0.526 1.00 0.12 C ATOM 409 CH2 TRP A 189 -0.015 3.284 -0.143 1.00 0.12 C ATOM 0 H TRP A 189 -0.373 9.095 1.824 1.00 0.18 H new ATOM 0 HA TRP A 189 -1.770 8.471 4.180 1.00 0.19 H new ATOM 0 HB2 TRP A 189 0.832 7.339 3.087 1.00 0.18 H new ATOM 0 HB3 TRP A 189 -0.038 6.656 4.447 1.00 0.18 H new ATOM 0 HD1 TRP A 189 -3.005 6.942 2.909 1.00 0.18 H new ATOM 0 HE1 TRP A 189 -3.571 5.146 1.133 1.00 0.15 H new ATOM 0 HE3 TRP A 189 1.744 5.292 1.966 1.00 0.11 H new ATOM 0 HZ2 TRP A 189 -2.138 3.276 -0.425 1.00 0.12 H new ATOM 0 HZ3 TRP A 189 2.074 3.485 0.318 1.00 0.12 H new ATOM 0 HH2 TRP A 189 0.154 2.495 -0.861 1.00 0.12 H new ATOM 420 N SER A 190 -0.163 8.937 6.158 1.00 0.23 N ATOM 421 CA SER A 190 0.758 9.222 7.238 1.00 0.25 C ATOM 422 C SER A 190 1.510 7.947 7.573 1.00 0.25 C ATOM 423 O SER A 190 1.058 6.864 7.205 1.00 0.25 O ATOM 424 CB SER A 190 0.018 9.773 8.459 1.00 0.29 C ATOM 425 OG SER A 190 -1.174 9.048 8.707 1.00 1.18 O ATOM 0 H SER A 190 -1.050 8.529 6.452 1.00 0.23 H new ATOM 0 HA SER A 190 1.467 9.990 6.929 1.00 0.25 H new ATOM 0 HB2 SER A 190 0.666 9.722 9.334 1.00 0.29 H new ATOM 0 HB3 SER A 190 -0.220 10.825 8.299 1.00 0.29 H new ATOM 0 HG SER A 190 -1.626 9.420 9.493 1.00 1.18 H new ATOM 431 N THR A 191 2.646 8.073 8.249 1.00 0.26 N ATOM 432 CA THR A 191 3.550 6.947 8.481 1.00 0.28 C ATOM 433 C THR A 191 2.817 5.692 8.975 1.00 0.25 C ATOM 434 O THR A 191 3.115 4.578 8.540 1.00 0.25 O ATOM 435 CB THR A 191 4.647 7.349 9.481 1.00 0.31 C ATOM 436 OG1 THR A 191 5.243 8.589 9.061 1.00 0.74 O ATOM 437 CG2 THR A 191 5.721 6.276 9.586 1.00 0.62 C ATOM 0 H THR A 191 2.968 8.953 8.651 1.00 0.26 H new ATOM 0 HA THR A 191 4.001 6.695 7.521 1.00 0.28 H new ATOM 0 HB THR A 191 4.189 7.467 10.463 1.00 0.31 H new ATOM 0 HG1 THR A 191 5.941 8.848 9.698 1.00 0.74 H new ATOM 0 HG21 THR A 191 6.481 6.591 10.301 1.00 0.62 H new ATOM 0 HG22 THR A 191 5.271 5.342 9.923 1.00 0.62 H new ATOM 0 HG23 THR A 191 6.181 6.125 8.610 1.00 0.62 H new ATOM 445 N ASP A 192 1.837 5.877 9.853 1.00 0.24 N ATOM 446 CA ASP A 192 1.045 4.755 10.355 1.00 0.24 C ATOM 447 C ASP A 192 0.227 4.117 9.237 1.00 0.23 C ATOM 448 O ASP A 192 0.292 2.915 9.032 1.00 0.25 O ATOM 449 CB ASP A 192 0.109 5.202 11.479 1.00 0.29 C ATOM 450 CG ASP A 192 0.850 5.584 12.740 1.00 1.06 C ATOM 451 OD1 ASP A 192 1.224 6.768 12.880 1.00 1.75 O ATOM 452 OD2 ASP A 192 1.061 4.701 13.600 1.00 1.37 O ATOM 0 H ASP A 192 1.572 6.786 10.231 1.00 0.24 H new ATOM 0 HA ASP A 192 1.744 4.017 10.748 1.00 0.24 H new ATOM 0 HB2 ASP A 192 -0.481 6.053 11.138 1.00 0.29 H new ATOM 0 HB3 ASP A 192 -0.592 4.398 11.704 1.00 0.29 H new ATOM 457 N GLN A 193 -0.526 4.937 8.515 1.00 0.22 N ATOM 458 CA GLN A 193 -1.370 4.469 7.406 1.00 0.21 C ATOM 459 C GLN A 193 -0.537 3.884 6.272 1.00 0.17 C ATOM 460 O GLN A 193 -0.976 2.934 5.619 1.00 0.14 O ATOM 461 CB GLN A 193 -2.238 5.605 6.866 1.00 0.24 C ATOM 462 CG GLN A 193 -3.094 6.293 7.913 1.00 0.30 C ATOM 463 CD GLN A 193 -3.658 7.600 7.400 1.00 0.41 C ATOM 464 OE1 GLN A 193 -3.041 8.267 6.568 1.00 1.34 O ATOM 465 NE2 GLN A 193 -4.825 7.980 7.889 1.00 0.85 N ATOM 0 H GLN A 193 -0.574 5.943 8.675 1.00 0.22 H new ATOM 0 HA GLN A 193 -2.011 3.683 7.804 1.00 0.21 H new ATOM 0 HB2 GLN A 193 -1.592 6.348 6.397 1.00 0.24 H new ATOM 0 HB3 GLN A 193 -2.888 5.210 6.086 1.00 0.24 H new ATOM 0 HG2 GLN A 193 -3.911 5.634 8.206 1.00 0.30 H new ATOM 0 HG3 GLN A 193 -2.498 6.479 8.806 1.00 0.30 H new ATOM 0 HE21 GLN A 193 -5.304 7.398 8.577 1.00 0.85 H new ATOM 0 HE22 GLN A 193 -5.247 8.855 7.579 1.00 0.85 H new ATOM 474 N VAL A 194 0.640 4.429 6.042 1.00 0.16 N ATOM 475 CA VAL A 194 1.564 3.839 5.079 1.00 0.14 C ATOM 476 C VAL A 194 1.774 2.354 5.393 1.00 0.13 C ATOM 477 O VAL A 194 1.730 1.500 4.508 1.00 0.13 O ATOM 478 CB VAL A 194 2.930 4.564 5.091 1.00 0.16 C ATOM 479 CG1 VAL A 194 3.894 3.937 4.101 1.00 0.17 C ATOM 480 CG2 VAL A 194 2.761 6.039 4.781 1.00 0.17 C ATOM 0 H VAL A 194 0.983 5.273 6.501 1.00 0.16 H new ATOM 0 HA VAL A 194 1.124 3.948 4.088 1.00 0.14 H new ATOM 0 HB VAL A 194 3.346 4.459 6.093 1.00 0.16 H new ATOM 0 HG11 VAL A 194 4.845 4.469 4.133 1.00 0.17 H new ATOM 0 HG12 VAL A 194 4.054 2.891 4.362 1.00 0.17 H new ATOM 0 HG13 VAL A 194 3.476 4.001 3.096 1.00 0.17 H new ATOM 0 HG21 VAL A 194 3.735 6.528 4.795 1.00 0.17 H new ATOM 0 HG22 VAL A 194 2.311 6.154 3.795 1.00 0.17 H new ATOM 0 HG23 VAL A 194 2.115 6.496 5.530 1.00 0.17 H new ATOM 490 N LEU A 195 1.961 2.056 6.667 1.00 0.14 N ATOM 491 CA LEU A 195 2.177 0.686 7.117 1.00 0.14 C ATOM 492 C LEU A 195 0.892 0.012 7.614 1.00 0.12 C ATOM 493 O LEU A 195 0.910 -1.192 7.853 1.00 0.14 O ATOM 494 CB LEU A 195 3.288 0.615 8.165 1.00 0.16 C ATOM 495 CG LEU A 195 4.622 1.233 7.742 1.00 0.18 C ATOM 496 CD1 LEU A 195 5.570 1.307 8.928 1.00 0.23 C ATOM 497 CD2 LEU A 195 5.246 0.429 6.611 1.00 0.18 C ATOM 0 H LEU A 195 1.968 2.749 7.416 1.00 0.14 H new ATOM 0 HA LEU A 195 2.500 0.120 6.243 1.00 0.14 H new ATOM 0 HB2 LEU A 195 2.944 1.116 9.070 1.00 0.16 H new ATOM 0 HB3 LEU A 195 3.456 -0.431 8.423 1.00 0.16 H new ATOM 0 HG LEU A 195 4.437 2.245 7.383 1.00 0.18 H new ATOM 0 HD11 LEU A 195 6.515 1.749 8.612 1.00 0.23 H new ATOM 0 HD12 LEU A 195 5.126 1.922 9.711 1.00 0.23 H new ATOM 0 HD13 LEU A 195 5.750 0.303 9.313 1.00 0.23 H new ATOM 0 HD21 LEU A 195 6.194 0.882 6.322 1.00 0.18 H new ATOM 0 HD22 LEU A 195 5.420 -0.594 6.945 1.00 0.18 H new ATOM 0 HD23 LEU A 195 4.572 0.422 5.755 1.00 0.18 H new ATOM 509 N HIS A 196 -0.221 0.726 7.750 1.00 0.11 N ATOM 510 CA HIS A 196 -1.505 0.027 7.863 1.00 0.10 C ATOM 511 C HIS A 196 -1.728 -0.724 6.559 1.00 0.09 C ATOM 512 O HIS A 196 -2.107 -1.891 6.541 1.00 0.12 O ATOM 513 CB HIS A 196 -2.701 0.961 8.118 1.00 0.13 C ATOM 514 CG HIS A 196 -2.774 1.540 9.498 1.00 0.16 C ATOM 515 ND1 HIS A 196 -2.876 0.738 10.608 1.00 0.30 N ATOM 516 CD2 HIS A 196 -2.808 2.838 9.889 1.00 0.30 C ATOM 517 CE1 HIS A 196 -2.972 1.558 11.637 1.00 0.30 C ATOM 518 NE2 HIS A 196 -2.934 2.839 11.255 1.00 0.28 N ATOM 0 H HIS A 196 -0.268 1.744 7.784 1.00 0.11 H new ATOM 0 HA HIS A 196 -1.451 -0.636 8.727 1.00 0.10 H new ATOM 0 HB2 HIS A 196 -2.662 1.780 7.399 1.00 0.13 H new ATOM 0 HB3 HIS A 196 -3.621 0.409 7.923 1.00 0.13 H new ATOM 0 HD2 HIS A 196 -2.747 3.705 9.248 1.00 0.30 H new ATOM 0 HE1 HIS A 196 -3.069 1.234 12.663 1.00 0.30 H new ATOM 0 HE2 HIS A 196 -2.988 3.657 11.861 1.00 0.28 H new ATOM 526 N TRP A 197 -1.451 -0.019 5.474 1.00 0.10 N ATOM 527 CA TRP A 197 -1.458 -0.597 4.138 1.00 0.09 C ATOM 528 C TRP A 197 -0.470 -1.755 4.034 1.00 0.10 C ATOM 529 O TRP A 197 -0.874 -2.866 3.711 1.00 0.13 O ATOM 530 CB TRP A 197 -1.140 0.485 3.098 1.00 0.09 C ATOM 531 CG TRP A 197 -1.084 -0.014 1.685 1.00 0.07 C ATOM 532 CD1 TRP A 197 -2.122 -0.498 0.945 1.00 0.09 C ATOM 533 CD2 TRP A 197 0.066 -0.052 0.831 1.00 0.07 C ATOM 534 NE1 TRP A 197 -1.684 -0.858 -0.306 1.00 0.08 N ATOM 535 CE2 TRP A 197 -0.345 -0.588 -0.403 1.00 0.07 C ATOM 536 CE3 TRP A 197 1.406 0.312 0.995 1.00 0.12 C ATOM 537 CZ2 TRP A 197 0.534 -0.768 -1.466 1.00 0.10 C ATOM 538 CZ3 TRP A 197 2.277 0.134 -0.062 1.00 0.16 C ATOM 539 CH2 TRP A 197 1.839 -0.401 -1.279 1.00 0.14 C ATOM 0 H TRP A 197 -1.214 0.973 5.494 1.00 0.10 H new ATOM 0 HA TRP A 197 -2.453 -0.995 3.939 1.00 0.09 H new ATOM 0 HB2 TRP A 197 -1.894 1.269 3.164 1.00 0.09 H new ATOM 0 HB3 TRP A 197 -0.182 0.942 3.348 1.00 0.09 H new ATOM 0 HD1 TRP A 197 -3.141 -0.586 1.292 1.00 0.09 H new ATOM 0 HE1 TRP A 197 -2.262 -1.261 -1.043 1.00 0.08 H new ATOM 0 HE3 TRP A 197 1.753 0.725 1.931 1.00 0.12 H new ATOM 0 HZ2 TRP A 197 0.199 -1.183 -2.405 1.00 0.10 H new ATOM 0 HZ3 TRP A 197 3.314 0.412 0.053 1.00 0.16 H new ATOM 0 HH2 TRP A 197 2.545 -0.527 -2.087 1.00 0.14 H new ATOM 550 N VAL A 198 0.807 -1.526 4.311 1.00 0.10 N ATOM 551 CA VAL A 198 1.800 -2.587 4.170 1.00 0.12 C ATOM 552 C VAL A 198 1.477 -3.803 5.055 1.00 0.13 C ATOM 553 O VAL A 198 1.646 -4.932 4.611 1.00 0.15 O ATOM 554 CB VAL A 198 3.237 -2.086 4.437 1.00 0.14 C ATOM 555 CG1 VAL A 198 4.251 -3.189 4.191 1.00 0.23 C ATOM 556 CG2 VAL A 198 3.556 -0.879 3.569 1.00 0.13 C ATOM 0 H VAL A 198 1.177 -0.631 4.630 1.00 0.10 H new ATOM 0 HA VAL A 198 1.751 -2.908 3.129 1.00 0.12 H new ATOM 0 HB VAL A 198 3.298 -1.789 5.484 1.00 0.14 H new ATOM 0 HG11 VAL A 198 5.255 -2.811 4.386 1.00 0.23 H new ATOM 0 HG12 VAL A 198 4.044 -4.028 4.855 1.00 0.23 H new ATOM 0 HG13 VAL A 198 4.183 -3.521 3.155 1.00 0.23 H new ATOM 0 HG21 VAL A 198 4.572 -0.543 3.773 1.00 0.13 H new ATOM 0 HG22 VAL A 198 3.469 -1.154 2.518 1.00 0.13 H new ATOM 0 HG23 VAL A 198 2.856 -0.074 3.793 1.00 0.13 H new ATOM 566 N VAL A 199 0.986 -3.595 6.273 1.00 0.13 N ATOM 567 CA VAL A 199 0.639 -4.720 7.151 1.00 0.14 C ATOM 568 C VAL A 199 -0.623 -5.446 6.667 1.00 0.13 C ATOM 569 O VAL A 199 -0.626 -6.663 6.487 1.00 0.15 O ATOM 570 CB VAL A 199 0.443 -4.257 8.614 1.00 0.18 C ATOM 571 CG1 VAL A 199 -0.152 -5.369 9.466 1.00 0.21 C ATOM 572 CG2 VAL A 199 1.766 -3.794 9.206 1.00 0.20 C ATOM 0 H VAL A 199 0.819 -2.673 6.675 1.00 0.13 H new ATOM 0 HA VAL A 199 1.477 -5.416 7.113 1.00 0.14 H new ATOM 0 HB VAL A 199 -0.255 -3.420 8.610 1.00 0.18 H new ATOM 0 HG11 VAL A 199 -0.279 -5.015 10.489 1.00 0.21 H new ATOM 0 HG12 VAL A 199 -1.121 -5.660 9.060 1.00 0.21 H new ATOM 0 HG13 VAL A 199 0.517 -6.230 9.460 1.00 0.21 H new ATOM 0 HG21 VAL A 199 1.611 -3.472 10.236 1.00 0.20 H new ATOM 0 HG22 VAL A 199 2.481 -4.617 9.187 1.00 0.20 H new ATOM 0 HG23 VAL A 199 2.155 -2.962 8.620 1.00 0.20 H new ATOM 582 N TRP A 200 -1.680 -4.690 6.452 1.00 0.13 N ATOM 583 CA TRP A 200 -2.944 -5.255 5.983 1.00 0.13 C ATOM 584 C TRP A 200 -2.772 -5.925 4.620 1.00 0.13 C ATOM 585 O TRP A 200 -3.200 -7.059 4.422 1.00 0.13 O ATOM 586 CB TRP A 200 -4.016 -4.163 5.900 1.00 0.14 C ATOM 587 CG TRP A 200 -5.409 -4.696 5.791 1.00 0.14 C ATOM 588 CD1 TRP A 200 -6.364 -4.676 6.761 1.00 0.15 C ATOM 589 CD2 TRP A 200 -6.000 -5.340 4.657 1.00 0.13 C ATOM 590 NE1 TRP A 200 -7.513 -5.264 6.300 1.00 0.16 N ATOM 591 CE2 TRP A 200 -7.314 -5.681 5.014 1.00 0.15 C ATOM 592 CE3 TRP A 200 -5.547 -5.660 3.375 1.00 0.13 C ATOM 593 CZ2 TRP A 200 -8.175 -6.324 4.139 1.00 0.15 C ATOM 594 CZ3 TRP A 200 -6.396 -6.302 2.508 1.00 0.14 C ATOM 595 CH2 TRP A 200 -7.700 -6.630 2.891 1.00 0.15 C ATOM 0 H TRP A 200 -1.696 -3.680 6.593 1.00 0.13 H new ATOM 0 HA TRP A 200 -3.262 -6.012 6.699 1.00 0.13 H new ATOM 0 HB2 TRP A 200 -3.947 -3.530 6.785 1.00 0.14 H new ATOM 0 HB3 TRP A 200 -3.810 -3.529 5.038 1.00 0.14 H new ATOM 0 HD1 TRP A 200 -6.235 -4.258 7.749 1.00 0.15 H new ATOM 0 HE1 TRP A 200 -8.377 -5.373 6.831 1.00 0.16 H new ATOM 0 HE3 TRP A 200 -4.543 -5.406 3.070 1.00 0.13 H new ATOM 0 HZ2 TRP A 200 -9.184 -6.575 4.430 1.00 0.15 H new ATOM 0 HZ3 TRP A 200 -6.052 -6.557 1.517 1.00 0.14 H new ATOM 0 HH2 TRP A 200 -8.346 -7.135 2.188 1.00 0.15 H new ATOM 606 N VAL A 201 -2.143 -5.247 3.698 1.00 0.14 N ATOM 607 CA VAL A 201 -2.010 -5.779 2.351 1.00 0.16 C ATOM 608 C VAL A 201 -0.934 -6.871 2.266 1.00 0.16 C ATOM 609 O VAL A 201 -1.020 -7.747 1.412 1.00 0.18 O ATOM 610 CB VAL A 201 -1.787 -4.663 1.312 1.00 0.20 C ATOM 611 CG1 VAL A 201 -1.754 -5.218 -0.099 1.00 0.26 C ATOM 612 CG2 VAL A 201 -2.882 -3.618 1.437 1.00 0.22 C ATOM 0 H VAL A 201 -1.715 -4.333 3.844 1.00 0.14 H new ATOM 0 HA VAL A 201 -2.959 -6.256 2.104 1.00 0.16 H new ATOM 0 HB VAL A 201 -0.820 -4.202 1.511 1.00 0.20 H new ATOM 0 HG11 VAL A 201 -1.595 -4.404 -0.806 1.00 0.26 H new ATOM 0 HG12 VAL A 201 -0.942 -5.939 -0.187 1.00 0.26 H new ATOM 0 HG13 VAL A 201 -2.702 -5.710 -0.319 1.00 0.26 H new ATOM 0 HG21 VAL A 201 -2.720 -2.831 0.700 1.00 0.22 H new ATOM 0 HG22 VAL A 201 -3.852 -4.084 1.262 1.00 0.22 H new ATOM 0 HG23 VAL A 201 -2.861 -3.187 2.438 1.00 0.22 H new ATOM 622 N MET A 202 0.043 -6.884 3.160 1.00 0.17 N ATOM 623 CA MET A 202 0.937 -8.047 3.211 1.00 0.20 C ATOM 624 C MET A 202 0.167 -9.271 3.719 1.00 0.19 C ATOM 625 O MET A 202 0.512 -10.408 3.404 1.00 0.22 O ATOM 626 CB MET A 202 2.181 -7.812 4.078 1.00 0.23 C ATOM 627 CG MET A 202 1.903 -7.778 5.569 1.00 0.23 C ATOM 628 SD MET A 202 3.402 -7.851 6.566 1.00 0.40 S ATOM 629 CE MET A 202 4.309 -6.434 5.952 1.00 0.56 C ATOM 0 H MET A 202 0.238 -6.144 3.834 1.00 0.17 H new ATOM 0 HA MET A 202 1.292 -8.220 2.195 1.00 0.20 H new ATOM 0 HB2 MET A 202 2.907 -8.599 3.873 1.00 0.23 H new ATOM 0 HB3 MET A 202 2.642 -6.869 3.784 1.00 0.23 H new ATOM 0 HG2 MET A 202 1.357 -6.866 5.810 1.00 0.23 H new ATOM 0 HG3 MET A 202 1.257 -8.616 5.832 1.00 0.23 H new ATOM 0 HE1 MET A 202 5.372 -6.569 6.149 1.00 0.56 H new ATOM 0 HE2 MET A 202 4.149 -6.337 4.878 1.00 0.56 H new ATOM 0 HE3 MET A 202 3.959 -5.532 6.454 1.00 0.56 H new ATOM 639 N LYS A 203 -0.884 -9.015 4.484 1.00 0.16 N ATOM 640 CA LYS A 203 -1.757 -10.062 5.015 1.00 0.18 C ATOM 641 C LYS A 203 -2.500 -10.816 3.910 1.00 0.18 C ATOM 642 O LYS A 203 -2.461 -12.045 3.869 1.00 0.20 O ATOM 643 CB LYS A 203 -2.772 -9.438 5.979 1.00 0.19 C ATOM 644 CG LYS A 203 -3.854 -10.393 6.459 1.00 0.36 C ATOM 645 CD LYS A 203 -4.795 -9.712 7.439 1.00 0.82 C ATOM 646 CE LYS A 203 -5.661 -8.661 6.760 1.00 1.61 C ATOM 647 NZ LYS A 203 -6.680 -9.273 5.865 1.00 2.35 N ATOM 0 H LYS A 203 -1.160 -8.072 4.758 1.00 0.16 H new ATOM 0 HA LYS A 203 -1.127 -10.782 5.537 1.00 0.18 H new ATOM 0 HB2 LYS A 203 -2.239 -9.048 6.846 1.00 0.19 H new ATOM 0 HB3 LYS A 203 -3.246 -8.589 5.488 1.00 0.19 H new ATOM 0 HG2 LYS A 203 -4.421 -10.763 5.605 1.00 0.36 H new ATOM 0 HG3 LYS A 203 -3.393 -11.258 6.935 1.00 0.36 H new ATOM 0 HD2 LYS A 203 -5.434 -10.460 7.908 1.00 0.82 H new ATOM 0 HD3 LYS A 203 -4.214 -9.245 8.234 1.00 0.82 H new ATOM 0 HE2 LYS A 203 -6.160 -8.057 7.518 1.00 1.61 H new ATOM 0 HE3 LYS A 203 -5.028 -7.988 6.182 1.00 1.61 H new ATOM 0 HZ1 LYS A 203 -7.353 -8.543 5.556 1.00 2.35 H new ATOM 0 HZ2 LYS A 203 -6.210 -9.685 5.034 1.00 2.35 H new ATOM 0 HZ3 LYS A 203 -7.190 -10.019 6.379 1.00 2.35 H new ATOM 661 N GLU A 204 -3.155 -10.092 3.009 1.00 0.18 N ATOM 662 CA GLU A 204 -4.095 -10.709 2.066 1.00 0.18 C ATOM 663 C GLU A 204 -3.414 -11.706 1.118 1.00 0.23 C ATOM 664 O GLU A 204 -4.067 -12.597 0.578 1.00 0.47 O ATOM 665 CB GLU A 204 -4.843 -9.633 1.273 1.00 0.23 C ATOM 666 CG GLU A 204 -6.306 -9.987 1.028 1.00 0.42 C ATOM 667 CD GLU A 204 -7.108 -10.085 2.319 1.00 0.93 C ATOM 668 OE1 GLU A 204 -6.502 -10.210 3.407 1.00 1.45 O ATOM 669 OE2 GLU A 204 -8.353 -10.045 2.254 1.00 1.72 O ATOM 0 H GLU A 204 -3.057 -9.082 2.908 1.00 0.18 H new ATOM 0 HA GLU A 204 -4.811 -11.278 2.658 1.00 0.18 H new ATOM 0 HB2 GLU A 204 -4.788 -8.687 1.812 1.00 0.23 H new ATOM 0 HB3 GLU A 204 -4.345 -9.483 0.315 1.00 0.23 H new ATOM 0 HG2 GLU A 204 -6.755 -9.233 0.382 1.00 0.42 H new ATOM 0 HG3 GLU A 204 -6.362 -10.937 0.496 1.00 0.42 H new ATOM 676 N PHE A 205 -2.112 -11.567 0.926 1.00 0.18 N ATOM 677 CA PHE A 205 -1.360 -12.485 0.065 1.00 0.19 C ATOM 678 C PHE A 205 -0.291 -13.214 0.863 1.00 0.22 C ATOM 679 O PHE A 205 0.628 -13.801 0.296 1.00 0.25 O ATOM 680 CB PHE A 205 -0.705 -11.742 -1.099 1.00 0.19 C ATOM 681 CG PHE A 205 -1.416 -10.482 -1.478 1.00 0.18 C ATOM 682 CD1 PHE A 205 -2.608 -10.509 -2.182 1.00 0.24 C ATOM 683 CD2 PHE A 205 -0.884 -9.267 -1.118 1.00 0.21 C ATOM 684 CE1 PHE A 205 -3.254 -9.334 -2.512 1.00 0.29 C ATOM 685 CE2 PHE A 205 -1.515 -8.094 -1.442 1.00 0.25 C ATOM 686 CZ PHE A 205 -2.706 -8.122 -2.141 1.00 0.29 C ATOM 0 H PHE A 205 -1.549 -10.831 1.351 1.00 0.18 H new ATOM 0 HA PHE A 205 -2.069 -13.209 -0.336 1.00 0.19 H new ATOM 0 HB2 PHE A 205 0.325 -11.503 -0.834 1.00 0.19 H new ATOM 0 HB3 PHE A 205 -0.666 -12.402 -1.965 1.00 0.19 H new ATOM 0 HD1 PHE A 205 -3.036 -11.456 -2.475 1.00 0.24 H new ATOM 0 HD2 PHE A 205 0.047 -9.236 -0.571 1.00 0.21 H new ATOM 0 HE1 PHE A 205 -4.185 -9.363 -3.059 1.00 0.29 H new ATOM 0 HE2 PHE A 205 -1.081 -7.149 -1.151 1.00 0.25 H new ATOM 0 HZ PHE A 205 -3.207 -7.200 -2.396 1.00 0.29 H new ATOM 696 N SER A 206 -0.434 -13.163 2.182 1.00 0.21 N ATOM 697 CA SER A 206 0.414 -13.923 3.102 1.00 0.23 C ATOM 698 C SER A 206 1.897 -13.648 2.850 1.00 0.24 C ATOM 699 O SER A 206 2.719 -14.561 2.785 1.00 0.28 O ATOM 700 CB SER A 206 0.112 -15.423 2.994 1.00 0.26 C ATOM 701 OG SER A 206 0.627 -16.136 4.108 1.00 1.14 O ATOM 0 H SER A 206 -1.141 -12.594 2.648 1.00 0.21 H new ATOM 0 HA SER A 206 0.187 -13.595 4.116 1.00 0.23 H new ATOM 0 HB2 SER A 206 -0.965 -15.575 2.929 1.00 0.26 H new ATOM 0 HB3 SER A 206 0.546 -15.818 2.075 1.00 0.26 H new ATOM 0 HG SER A 206 1.591 -15.976 4.182 1.00 1.14 H new ATOM 707 N MET A 207 2.230 -12.368 2.713 1.00 0.25 N ATOM 708 CA MET A 207 3.612 -11.947 2.573 1.00 0.27 C ATOM 709 C MET A 207 4.291 -11.945 3.936 1.00 0.52 C ATOM 710 O MET A 207 5.244 -12.691 4.159 1.00 1.36 O ATOM 711 CB MET A 207 3.717 -10.567 1.916 1.00 0.32 C ATOM 712 CG MET A 207 3.187 -10.520 0.489 1.00 0.52 C ATOM 713 SD MET A 207 3.792 -9.090 -0.429 1.00 0.95 S ATOM 714 CE MET A 207 3.035 -7.746 0.475 1.00 0.94 C ATOM 0 H MET A 207 1.554 -11.604 2.696 1.00 0.25 H new ATOM 0 HA MET A 207 4.120 -12.657 1.920 1.00 0.27 H new ATOM 0 HB2 MET A 207 3.168 -9.845 2.521 1.00 0.32 H new ATOM 0 HB3 MET A 207 4.761 -10.254 1.916 1.00 0.32 H new ATOM 0 HG2 MET A 207 3.478 -11.432 -0.033 1.00 0.52 H new ATOM 0 HG3 MET A 207 2.097 -10.499 0.511 1.00 0.52 H new ATOM 0 HE1 MET A 207 3.616 -6.835 0.327 1.00 0.94 H new ATOM 0 HE2 MET A 207 2.019 -7.591 0.113 1.00 0.94 H new ATOM 0 HE3 MET A 207 3.009 -7.991 1.537 1.00 0.94 H new ATOM 724 N THR A 208 3.785 -11.103 4.838 1.00 0.86 N ATOM 725 CA THR A 208 4.187 -11.103 6.249 1.00 1.02 C ATOM 726 C THR A 208 5.601 -10.546 6.466 1.00 1.04 C ATOM 727 O THR A 208 5.817 -9.709 7.342 1.00 1.71 O ATOM 728 CB THR A 208 4.078 -12.519 6.860 1.00 1.53 C ATOM 729 OG1 THR A 208 2.773 -13.062 6.601 1.00 2.11 O ATOM 730 CG2 THR A 208 4.319 -12.488 8.364 1.00 1.72 C ATOM 0 H THR A 208 3.083 -10.399 4.612 1.00 0.86 H new ATOM 0 HA THR A 208 3.493 -10.437 6.761 1.00 1.02 H new ATOM 0 HB THR A 208 4.841 -13.146 6.398 1.00 1.53 H new ATOM 0 HG1 THR A 208 2.709 -13.960 6.989 1.00 2.11 H new ATOM 0 HG21 THR A 208 4.236 -13.498 8.767 1.00 1.72 H new ATOM 0 HG22 THR A 208 5.317 -12.098 8.565 1.00 1.72 H new ATOM 0 HG23 THR A 208 3.577 -11.846 8.838 1.00 1.72 H new ATOM 738 N ASP A 209 6.559 -10.995 5.669 1.00 0.83 N ATOM 739 CA ASP A 209 7.946 -10.588 5.844 1.00 0.85 C ATOM 740 C ASP A 209 8.367 -9.561 4.803 1.00 0.70 C ATOM 741 O ASP A 209 9.347 -9.759 4.082 1.00 1.04 O ATOM 742 CB ASP A 209 8.883 -11.795 5.772 1.00 1.19 C ATOM 743 CG ASP A 209 8.691 -12.762 6.921 1.00 1.50 C ATOM 744 OD1 ASP A 209 9.197 -12.489 8.030 1.00 1.94 O ATOM 745 OD2 ASP A 209 8.056 -13.816 6.711 1.00 1.88 O ATOM 0 H ASP A 209 6.402 -11.641 4.895 1.00 0.83 H new ATOM 0 HA ASP A 209 8.019 -10.132 6.831 1.00 0.85 H new ATOM 0 HB2 ASP A 209 8.719 -12.320 4.831 1.00 1.19 H new ATOM 0 HB3 ASP A 209 9.916 -11.446 5.766 1.00 1.19 H new ATOM 750 N ILE A 210 7.621 -8.473 4.705 1.00 0.53 N ATOM 751 CA ILE A 210 8.053 -7.349 3.900 1.00 0.40 C ATOM 752 C ILE A 210 8.459 -6.204 4.826 1.00 0.36 C ATOM 753 O ILE A 210 7.802 -5.951 5.836 1.00 0.47 O ATOM 754 CB ILE A 210 6.994 -6.892 2.851 1.00 0.34 C ATOM 755 CG1 ILE A 210 6.806 -5.380 2.895 1.00 0.44 C ATOM 756 CG2 ILE A 210 5.661 -7.609 3.039 1.00 0.42 C ATOM 757 CD1 ILE A 210 6.323 -4.804 1.590 1.00 0.65 C ATOM 0 H ILE A 210 6.722 -8.347 5.169 1.00 0.53 H new ATOM 0 HA ILE A 210 8.911 -7.671 3.310 1.00 0.40 H new ATOM 0 HB ILE A 210 7.374 -7.165 1.866 1.00 0.34 H new ATOM 0 HG12 ILE A 210 6.092 -5.132 3.681 1.00 0.44 H new ATOM 0 HG13 ILE A 210 7.752 -4.910 3.164 1.00 0.44 H new ATOM 0 HG21 ILE A 210 4.952 -7.261 2.288 1.00 0.42 H new ATOM 0 HG22 ILE A 210 5.807 -8.684 2.930 1.00 0.42 H new ATOM 0 HG23 ILE A 210 5.270 -7.395 4.034 1.00 0.42 H new ATOM 0 HD11 ILE A 210 6.210 -3.724 1.689 1.00 0.65 H new ATOM 0 HD12 ILE A 210 7.047 -5.023 0.805 1.00 0.65 H new ATOM 0 HD13 ILE A 210 5.362 -5.247 1.330 1.00 0.65 H new ATOM 769 N ASP A 211 9.562 -5.554 4.479 1.00 0.28 N ATOM 770 CA ASP A 211 10.208 -4.567 5.338 1.00 0.28 C ATOM 771 C ASP A 211 9.280 -3.425 5.739 1.00 0.27 C ATOM 772 O ASP A 211 8.968 -2.548 4.936 1.00 0.33 O ATOM 773 CB ASP A 211 11.448 -4.013 4.640 1.00 0.34 C ATOM 774 CG ASP A 211 12.536 -5.060 4.492 1.00 0.65 C ATOM 775 OD1 ASP A 211 12.471 -5.867 3.542 1.00 0.91 O ATOM 776 OD2 ASP A 211 13.458 -5.090 5.336 1.00 0.88 O ATOM 0 H ASP A 211 10.038 -5.697 3.588 1.00 0.28 H new ATOM 0 HA ASP A 211 10.489 -5.079 6.258 1.00 0.28 H new ATOM 0 HB2 ASP A 211 11.171 -3.637 3.655 1.00 0.34 H new ATOM 0 HB3 ASP A 211 11.835 -3.167 5.207 1.00 0.34 H new ATOM 781 N LEU A 212 8.863 -3.443 6.999 1.00 0.30 N ATOM 782 CA LEU A 212 8.030 -2.390 7.558 1.00 0.36 C ATOM 783 C LEU A 212 8.891 -1.226 8.029 1.00 0.42 C ATOM 784 O LEU A 212 8.621 -0.071 7.714 1.00 0.56 O ATOM 785 CB LEU A 212 7.220 -2.928 8.741 1.00 0.43 C ATOM 786 CG LEU A 212 6.157 -3.966 8.392 1.00 0.48 C ATOM 787 CD1 LEU A 212 5.582 -4.578 9.658 1.00 0.56 C ATOM 788 CD2 LEU A 212 5.057 -3.330 7.561 1.00 0.52 C ATOM 0 H LEU A 212 9.093 -4.186 7.659 1.00 0.30 H new ATOM 0 HA LEU A 212 7.350 -2.043 6.780 1.00 0.36 H new ATOM 0 HB2 LEU A 212 7.910 -3.368 9.461 1.00 0.43 H new ATOM 0 HB3 LEU A 212 6.734 -2.088 9.238 1.00 0.43 H new ATOM 0 HG LEU A 212 6.620 -4.759 7.805 1.00 0.48 H new ATOM 0 HD11 LEU A 212 4.825 -5.317 9.394 1.00 0.56 H new ATOM 0 HD12 LEU A 212 6.379 -5.061 10.223 1.00 0.56 H new ATOM 0 HD13 LEU A 212 5.129 -3.796 10.267 1.00 0.56 H new ATOM 0 HD21 LEU A 212 4.304 -4.080 7.318 1.00 0.52 H new ATOM 0 HD22 LEU A 212 4.594 -2.522 8.127 1.00 0.52 H new ATOM 0 HD23 LEU A 212 5.482 -2.931 6.640 1.00 0.52 H new ATOM 800 N THR A 213 9.947 -1.548 8.766 1.00 0.44 N ATOM 801 CA THR A 213 10.818 -0.532 9.350 1.00 0.51 C ATOM 802 C THR A 213 11.582 0.241 8.272 1.00 0.46 C ATOM 803 O THR A 213 12.070 1.344 8.515 1.00 0.52 O ATOM 804 CB THR A 213 11.812 -1.163 10.353 1.00 0.71 C ATOM 805 OG1 THR A 213 12.599 -0.143 10.989 1.00 1.56 O ATOM 806 CG2 THR A 213 12.731 -2.159 9.664 1.00 1.34 C ATOM 0 H THR A 213 10.223 -2.508 8.975 1.00 0.44 H new ATOM 0 HA THR A 213 10.178 0.170 9.885 1.00 0.51 H new ATOM 0 HB THR A 213 11.229 -1.692 11.107 1.00 0.71 H new ATOM 0 HG1 THR A 213 13.222 -0.557 11.622 1.00 1.56 H new ATOM 0 HG21 THR A 213 13.418 -2.586 10.395 1.00 1.34 H new ATOM 0 HG22 THR A 213 12.135 -2.955 9.218 1.00 1.34 H new ATOM 0 HG23 THR A 213 13.299 -1.651 8.885 1.00 1.34 H new ATOM 814 N THR A 214 11.675 -0.328 7.079 1.00 0.45 N ATOM 815 CA THR A 214 12.363 0.330 5.982 1.00 0.47 C ATOM 816 C THR A 214 11.400 1.225 5.204 1.00 0.42 C ATOM 817 O THR A 214 11.814 2.069 4.407 1.00 0.60 O ATOM 818 CB THR A 214 12.997 -0.707 5.039 1.00 0.57 C ATOM 819 OG1 THR A 214 13.559 -1.773 5.815 1.00 1.18 O ATOM 820 CG2 THR A 214 14.092 -0.075 4.199 1.00 0.40 C ATOM 0 H THR A 214 11.283 -1.241 6.848 1.00 0.45 H new ATOM 0 HA THR A 214 13.155 0.950 6.402 1.00 0.47 H new ATOM 0 HB THR A 214 12.222 -1.090 4.375 1.00 0.57 H new ATOM 0 HG1 THR A 214 13.962 -2.436 5.216 1.00 1.18 H new ATOM 0 HG21 THR A 214 14.525 -0.828 3.540 1.00 0.40 H new ATOM 0 HG22 THR A 214 13.671 0.732 3.600 1.00 0.40 H new ATOM 0 HG23 THR A 214 14.867 0.325 4.853 1.00 0.40 H new ATOM 828 N LEU A 215 10.110 1.042 5.455 1.00 0.30 N ATOM 829 CA LEU A 215 9.083 1.866 4.839 1.00 0.27 C ATOM 830 C LEU A 215 8.419 2.740 5.888 1.00 0.25 C ATOM 831 O LEU A 215 7.293 3.201 5.708 1.00 0.29 O ATOM 832 CB LEU A 215 8.031 1.001 4.146 1.00 0.25 C ATOM 833 CG LEU A 215 8.530 0.189 2.957 1.00 0.23 C ATOM 834 CD1 LEU A 215 7.423 -0.727 2.461 1.00 0.25 C ATOM 835 CD2 LEU A 215 9.010 1.111 1.846 1.00 0.24 C ATOM 0 H LEU A 215 9.751 0.325 6.085 1.00 0.30 H new ATOM 0 HA LEU A 215 9.559 2.498 4.089 1.00 0.27 H new ATOM 0 HB2 LEU A 215 7.608 0.315 4.880 1.00 0.25 H new ATOM 0 HB3 LEU A 215 7.220 1.646 3.809 1.00 0.25 H new ATOM 0 HG LEU A 215 9.375 -0.423 3.272 1.00 0.23 H new ATOM 0 HD11 LEU A 215 7.783 -1.306 1.611 1.00 0.25 H new ATOM 0 HD12 LEU A 215 7.125 -1.404 3.261 1.00 0.25 H new ATOM 0 HD13 LEU A 215 6.565 -0.128 2.155 1.00 0.25 H new ATOM 0 HD21 LEU A 215 9.363 0.514 1.005 1.00 0.24 H new ATOM 0 HD22 LEU A 215 8.187 1.747 1.520 1.00 0.24 H new ATOM 0 HD23 LEU A 215 9.825 1.733 2.216 1.00 0.24 H new ATOM 847 N ASN A 216 9.125 2.960 6.988 1.00 0.24 N ATOM 848 CA ASN A 216 8.614 3.798 8.065 1.00 0.26 C ATOM 849 C ASN A 216 8.780 5.266 7.688 1.00 0.22 C ATOM 850 O ASN A 216 9.632 5.983 8.218 1.00 0.29 O ATOM 851 CB ASN A 216 9.328 3.485 9.385 1.00 0.34 C ATOM 852 CG ASN A 216 8.718 4.211 10.572 1.00 0.69 C ATOM 853 OD1 ASN A 216 9.111 5.327 10.909 1.00 1.34 O ATOM 854 ND2 ASN A 216 7.768 3.570 11.236 1.00 0.64 N ATOM 0 H ASN A 216 10.052 2.571 7.159 1.00 0.24 H new ATOM 0 HA ASN A 216 7.554 3.588 8.209 1.00 0.26 H new ATOM 0 HB2 ASN A 216 9.293 2.411 9.565 1.00 0.34 H new ATOM 0 HB3 ASN A 216 10.379 3.760 9.298 1.00 0.34 H new ATOM 0 HD21 ASN A 216 7.338 4.001 12.055 1.00 0.64 H new ATOM 0 HD22 ASN A 216 7.466 2.645 10.929 1.00 0.64 H new ATOM 861 N ILE A 217 7.975 5.681 6.727 1.00 0.19 N ATOM 862 CA ILE A 217 7.983 7.039 6.222 1.00 0.19 C ATOM 863 C ILE A 217 6.554 7.490 5.957 1.00 0.18 C ATOM 864 O ILE A 217 5.618 6.713 6.134 1.00 0.19 O ATOM 865 CB ILE A 217 8.834 7.168 4.931 1.00 0.20 C ATOM 866 CG1 ILE A 217 8.703 5.924 4.035 1.00 0.27 C ATOM 867 CG2 ILE A 217 10.293 7.406 5.280 1.00 0.32 C ATOM 868 CD1 ILE A 217 7.345 5.753 3.387 1.00 0.89 C ATOM 0 H ILE A 217 7.291 5.077 6.271 1.00 0.19 H new ATOM 0 HA ILE A 217 8.438 7.680 6.977 1.00 0.19 H new ATOM 0 HB ILE A 217 8.453 8.023 4.373 1.00 0.20 H new ATOM 0 HG12 ILE A 217 9.460 5.975 3.253 1.00 0.27 H new ATOM 0 HG13 ILE A 217 8.920 5.038 4.632 1.00 0.27 H new ATOM 0 HG21 ILE A 217 10.877 7.494 4.364 1.00 0.32 H new ATOM 0 HG22 ILE A 217 10.384 8.326 5.858 1.00 0.32 H new ATOM 0 HG23 ILE A 217 10.667 6.569 5.869 1.00 0.32 H new ATOM 0 HD11 ILE A 217 7.345 4.851 2.775 1.00 0.89 H new ATOM 0 HD12 ILE A 217 6.581 5.667 4.160 1.00 0.89 H new ATOM 0 HD13 ILE A 217 7.130 6.618 2.759 1.00 0.89 H new ATOM 880 N SER A 218 6.380 8.730 5.541 1.00 0.19 N ATOM 881 CA SER A 218 5.049 9.229 5.249 1.00 0.20 C ATOM 882 C SER A 218 4.691 9.004 3.779 1.00 0.20 C ATOM 883 O SER A 218 5.542 8.587 2.990 1.00 0.21 O ATOM 884 CB SER A 218 4.934 10.703 5.638 1.00 0.23 C ATOM 885 OG SER A 218 5.267 10.883 7.006 1.00 1.10 O ATOM 0 H SER A 218 7.133 9.403 5.399 1.00 0.19 H new ATOM 0 HA SER A 218 4.330 8.669 5.847 1.00 0.20 H new ATOM 0 HB2 SER A 218 5.597 11.303 5.014 1.00 0.23 H new ATOM 0 HB3 SER A 218 3.919 11.055 5.455 1.00 0.23 H new ATOM 0 HG SER A 218 5.208 10.023 7.473 1.00 1.10 H new ATOM 891 N GLY A 219 3.444 9.273 3.417 1.00 0.21 N ATOM 892 CA GLY A 219 2.968 8.977 2.078 1.00 0.23 C ATOM 893 C GLY A 219 3.759 9.676 0.994 1.00 0.22 C ATOM 894 O GLY A 219 4.078 9.070 -0.032 1.00 0.22 O ATOM 0 H GLY A 219 2.748 9.694 4.032 1.00 0.21 H new ATOM 0 HA2 GLY A 219 3.012 7.900 1.914 1.00 0.23 H new ATOM 0 HA3 GLY A 219 1.921 9.269 1.999 1.00 0.23 H new ATOM 898 N ARG A 220 4.085 10.945 1.215 1.00 0.24 N ATOM 899 CA ARG A 220 4.846 11.715 0.240 1.00 0.25 C ATOM 900 C ARG A 220 6.201 11.063 -0.022 1.00 0.25 C ATOM 901 O ARG A 220 6.698 11.097 -1.143 1.00 0.32 O ATOM 902 CB ARG A 220 4.997 13.169 0.714 1.00 0.26 C ATOM 903 CG ARG A 220 5.817 14.061 -0.210 1.00 1.23 C ATOM 904 CD ARG A 220 7.291 14.038 0.161 1.00 2.30 C ATOM 905 NE ARG A 220 8.122 14.745 -0.811 1.00 3.08 N ATOM 906 CZ ARG A 220 9.452 14.673 -0.840 1.00 4.20 C ATOM 907 NH1 ARG A 220 10.103 13.961 0.074 1.00 4.78 N ATOM 908 NH2 ARG A 220 10.132 15.321 -1.776 1.00 5.01 N ATOM 0 H ARG A 220 3.835 11.460 2.059 1.00 0.24 H new ATOM 0 HA ARG A 220 4.303 11.726 -0.705 1.00 0.25 H new ATOM 0 HB2 ARG A 220 4.004 13.604 0.829 1.00 0.26 H new ATOM 0 HB3 ARG A 220 5.460 13.168 1.701 1.00 0.26 H new ATOM 0 HG2 ARG A 220 5.695 13.729 -1.241 1.00 1.23 H new ATOM 0 HG3 ARG A 220 5.443 15.083 -0.157 1.00 1.23 H new ATOM 0 HD2 ARG A 220 7.422 14.490 1.144 1.00 2.30 H new ATOM 0 HD3 ARG A 220 7.627 13.004 0.238 1.00 2.30 H new ATOM 0 HE ARG A 220 7.657 15.327 -1.508 1.00 3.08 H new ATOM 0 HH11 ARG A 220 9.584 13.468 0.801 1.00 4.78 H new ATOM 0 HH12 ARG A 220 11.121 13.908 0.049 1.00 4.78 H new ATOM 0 HH21 ARG A 220 9.637 15.875 -2.475 1.00 5.01 H new ATOM 0 HH22 ARG A 220 11.150 15.265 -1.797 1.00 5.01 H new ATOM 922 N GLU A 221 6.778 10.447 0.999 1.00 0.24 N ATOM 923 CA GLU A 221 8.013 9.689 0.837 1.00 0.27 C ATOM 924 C GLU A 221 7.757 8.417 0.035 1.00 0.23 C ATOM 925 O GLU A 221 8.445 8.146 -0.947 1.00 0.23 O ATOM 926 CB GLU A 221 8.605 9.331 2.200 1.00 0.34 C ATOM 927 CG GLU A 221 9.568 10.365 2.763 1.00 0.84 C ATOM 928 CD GLU A 221 8.916 11.707 3.006 1.00 1.60 C ATOM 929 OE1 GLU A 221 8.181 11.842 4.007 1.00 2.45 O ATOM 930 OE2 GLU A 221 9.160 12.636 2.216 1.00 2.07 O ATOM 0 H GLU A 221 6.411 10.456 1.951 1.00 0.24 H new ATOM 0 HA GLU A 221 8.725 10.311 0.295 1.00 0.27 H new ATOM 0 HB2 GLU A 221 7.790 9.189 2.909 1.00 0.34 H new ATOM 0 HB3 GLU A 221 9.125 8.377 2.116 1.00 0.34 H new ATOM 0 HG2 GLU A 221 9.984 9.994 3.700 1.00 0.84 H new ATOM 0 HG3 GLU A 221 10.401 10.492 2.072 1.00 0.84 H new ATOM 937 N LEU A 222 6.751 7.656 0.457 1.00 0.21 N ATOM 938 CA LEU A 222 6.398 6.390 -0.186 1.00 0.20 C ATOM 939 C LEU A 222 6.119 6.600 -1.676 1.00 0.18 C ATOM 940 O LEU A 222 6.691 5.926 -2.527 1.00 0.20 O ATOM 941 CB LEU A 222 5.163 5.791 0.516 1.00 0.21 C ATOM 942 CG LEU A 222 4.843 4.317 0.217 1.00 0.21 C ATOM 943 CD1 LEU A 222 4.163 4.163 -1.134 1.00 0.19 C ATOM 944 CD2 LEU A 222 6.108 3.469 0.274 1.00 0.26 C ATOM 0 H LEU A 222 6.158 7.897 1.251 1.00 0.21 H new ATOM 0 HA LEU A 222 7.235 5.698 -0.097 1.00 0.20 H new ATOM 0 HB2 LEU A 222 5.299 5.898 1.592 1.00 0.21 H new ATOM 0 HB3 LEU A 222 4.294 6.389 0.244 1.00 0.21 H new ATOM 0 HG LEU A 222 4.153 3.966 0.984 1.00 0.21 H new ATOM 0 HD11 LEU A 222 3.950 3.110 -1.316 1.00 0.19 H new ATOM 0 HD12 LEU A 222 3.231 4.728 -1.139 1.00 0.19 H new ATOM 0 HD13 LEU A 222 4.820 4.541 -1.917 1.00 0.19 H new ATOM 0 HD21 LEU A 222 5.859 2.430 0.060 1.00 0.26 H new ATOM 0 HD22 LEU A 222 6.822 3.831 -0.465 1.00 0.26 H new ATOM 0 HD23 LEU A 222 6.548 3.539 1.269 1.00 0.26 H new ATOM 956 N CYS A 223 5.241 7.540 -1.977 1.00 0.18 N ATOM 957 CA CYS A 223 4.798 7.765 -3.345 1.00 0.18 C ATOM 958 C CYS A 223 5.885 8.409 -4.212 1.00 0.18 C ATOM 959 O CYS A 223 5.830 8.320 -5.440 1.00 0.21 O ATOM 960 CB CYS A 223 3.531 8.629 -3.327 1.00 0.21 C ATOM 961 SG CYS A 223 2.812 8.979 -4.949 1.00 0.71 S ATOM 0 H CYS A 223 4.818 8.164 -1.290 1.00 0.18 H new ATOM 0 HA CYS A 223 4.579 6.797 -3.796 1.00 0.18 H new ATOM 0 HB2 CYS A 223 2.780 8.130 -2.715 1.00 0.21 H new ATOM 0 HB3 CYS A 223 3.763 9.575 -2.839 1.00 0.21 H new ATOM 0 HG CYS A 223 3.729 8.866 -5.864 1.00 0.71 H new ATOM 967 N SER A 224 6.868 9.054 -3.593 1.00 0.17 N ATOM 968 CA SER A 224 7.900 9.752 -4.350 1.00 0.21 C ATOM 969 C SER A 224 9.088 8.847 -4.692 1.00 0.17 C ATOM 970 O SER A 224 9.971 9.254 -5.447 1.00 0.19 O ATOM 971 CB SER A 224 8.381 10.985 -3.570 1.00 0.30 C ATOM 972 OG SER A 224 9.214 11.820 -4.359 1.00 1.10 O ATOM 0 H SER A 224 6.972 9.108 -2.580 1.00 0.17 H new ATOM 0 HA SER A 224 7.453 10.065 -5.294 1.00 0.21 H new ATOM 0 HB2 SER A 224 7.518 11.555 -3.225 1.00 0.30 H new ATOM 0 HB3 SER A 224 8.926 10.663 -2.683 1.00 0.30 H new ATOM 0 HG SER A 224 9.668 11.280 -5.039 1.00 1.10 H new ATOM 978 N LEU A 225 9.125 7.625 -4.169 1.00 0.17 N ATOM 979 CA LEU A 225 10.236 6.732 -4.477 1.00 0.18 C ATOM 980 C LEU A 225 9.848 5.776 -5.600 1.00 0.19 C ATOM 981 O LEU A 225 8.720 5.283 -5.647 1.00 0.19 O ATOM 982 CB LEU A 225 10.711 5.978 -3.218 1.00 0.19 C ATOM 983 CG LEU A 225 9.666 5.131 -2.483 1.00 0.16 C ATOM 984 CD1 LEU A 225 9.662 3.698 -2.992 1.00 0.39 C ATOM 985 CD2 LEU A 225 9.925 5.156 -0.985 1.00 0.27 C ATOM 0 H LEU A 225 8.417 7.238 -3.545 1.00 0.17 H new ATOM 0 HA LEU A 225 11.079 7.331 -4.823 1.00 0.18 H new ATOM 0 HB2 LEU A 225 11.536 5.326 -3.504 1.00 0.19 H new ATOM 0 HB3 LEU A 225 11.111 6.709 -2.515 1.00 0.19 H new ATOM 0 HG LEU A 225 8.685 5.562 -2.681 1.00 0.16 H new ATOM 0 HD11 LEU A 225 8.911 3.122 -2.452 1.00 0.39 H new ATOM 0 HD12 LEU A 225 9.428 3.691 -4.057 1.00 0.39 H new ATOM 0 HD13 LEU A 225 10.644 3.253 -2.833 1.00 0.39 H new ATOM 0 HD21 LEU A 225 9.175 4.550 -0.476 1.00 0.27 H new ATOM 0 HD22 LEU A 225 10.917 4.753 -0.780 1.00 0.27 H new ATOM 0 HD23 LEU A 225 9.869 6.183 -0.623 1.00 0.27 H new ATOM 997 N ASN A 226 10.775 5.542 -6.521 1.00 0.22 N ATOM 998 CA ASN A 226 10.530 4.649 -7.652 1.00 0.25 C ATOM 999 C ASN A 226 10.525 3.211 -7.176 1.00 0.21 C ATOM 1000 O ASN A 226 11.038 2.919 -6.092 1.00 0.23 O ATOM 1001 CB ASN A 226 11.619 4.794 -8.721 1.00 0.40 C ATOM 1002 CG ASN A 226 11.787 6.208 -9.229 1.00 1.04 C ATOM 1003 OD1 ASN A 226 10.850 7.007 -9.227 1.00 2.01 O ATOM 1004 ND2 ASN A 226 12.989 6.522 -9.679 1.00 1.31 N ATOM 0 H ASN A 226 11.706 5.958 -6.509 1.00 0.22 H new ATOM 0 HA ASN A 226 9.565 4.918 -8.083 1.00 0.25 H new ATOM 0 HB2 ASN A 226 12.568 4.450 -8.309 1.00 0.40 H new ATOM 0 HB3 ASN A 226 11.381 4.141 -9.561 1.00 0.40 H new ATOM 0 HD21 ASN A 226 13.169 7.458 -10.043 1.00 1.31 H new ATOM 0 HD22 ASN A 226 13.737 5.829 -9.662 1.00 1.31 H new ATOM 1011 N GLN A 227 9.932 2.309 -7.969 1.00 0.20 N ATOM 1012 CA GLN A 227 9.864 0.895 -7.628 1.00 0.19 C ATOM 1013 C GLN A 227 11.208 0.365 -7.138 1.00 0.18 C ATOM 1014 O GLN A 227 11.271 -0.481 -6.250 1.00 0.19 O ATOM 1015 CB GLN A 227 9.407 0.070 -8.830 1.00 0.22 C ATOM 1016 CG GLN A 227 8.962 -1.327 -8.434 1.00 0.29 C ATOM 1017 CD GLN A 227 7.766 -1.297 -7.504 1.00 0.52 C ATOM 1018 OE1 GLN A 227 6.619 -1.327 -7.943 1.00 1.30 O ATOM 1019 NE2 GLN A 227 8.031 -1.225 -6.210 1.00 1.13 N ATOM 0 H GLN A 227 9.491 2.544 -8.858 1.00 0.20 H new ATOM 0 HA GLN A 227 9.138 0.798 -6.820 1.00 0.19 H new ATOM 0 HB2 GLN A 227 8.585 0.583 -9.329 1.00 0.22 H new ATOM 0 HB3 GLN A 227 10.222 -0.001 -9.550 1.00 0.22 H new ATOM 0 HG2 GLN A 227 8.711 -1.896 -9.330 1.00 0.29 H new ATOM 0 HG3 GLN A 227 9.787 -1.847 -7.947 1.00 0.29 H new ATOM 0 HE21 GLN A 227 8.999 -1.202 -5.888 1.00 1.13 H new ATOM 0 HE22 GLN A 227 7.268 -1.192 -5.534 1.00 1.13 H new ATOM 1028 N GLU A 228 12.279 0.916 -7.708 1.00 0.20 N ATOM 1029 CA GLU A 228 13.642 0.488 -7.425 1.00 0.23 C ATOM 1030 C GLU A 228 14.001 0.800 -5.983 1.00 0.18 C ATOM 1031 O GLU A 228 14.472 -0.070 -5.256 1.00 0.19 O ATOM 1032 CB GLU A 228 14.609 1.232 -8.341 1.00 0.34 C ATOM 1033 CG GLU A 228 14.206 1.223 -9.804 1.00 1.14 C ATOM 1034 CD GLU A 228 15.078 2.132 -10.639 1.00 1.66 C ATOM 1035 OE1 GLU A 228 15.035 3.363 -10.427 1.00 2.29 O ATOM 1036 OE2 GLU A 228 15.816 1.622 -11.511 1.00 1.83 O ATOM 0 H GLU A 228 12.221 1.678 -8.384 1.00 0.20 H new ATOM 0 HA GLU A 228 13.713 -0.586 -7.594 1.00 0.23 H new ATOM 0 HB2 GLU A 228 14.690 2.265 -8.004 1.00 0.34 H new ATOM 0 HB3 GLU A 228 15.599 0.787 -8.245 1.00 0.34 H new ATOM 0 HG2 GLU A 228 14.269 0.206 -10.191 1.00 1.14 H new ATOM 0 HG3 GLU A 228 13.166 1.535 -9.895 1.00 1.14 H new ATOM 1043 N ASP A 229 13.770 2.040 -5.581 1.00 0.18 N ATOM 1044 CA ASP A 229 14.067 2.442 -4.211 1.00 0.20 C ATOM 1045 C ASP A 229 13.300 1.581 -3.220 1.00 0.19 C ATOM 1046 O ASP A 229 13.790 1.297 -2.131 1.00 0.22 O ATOM 1047 CB ASP A 229 13.775 3.924 -3.981 1.00 0.25 C ATOM 1048 CG ASP A 229 14.346 4.419 -2.667 1.00 0.37 C ATOM 1049 OD1 ASP A 229 15.580 4.591 -2.583 1.00 0.71 O ATOM 1050 OD2 ASP A 229 13.576 4.620 -1.710 1.00 0.54 O ATOM 0 H ASP A 229 13.384 2.777 -6.171 1.00 0.18 H new ATOM 0 HA ASP A 229 15.134 2.290 -4.048 1.00 0.20 H new ATOM 0 HB2 ASP A 229 14.194 4.507 -4.801 1.00 0.25 H new ATOM 0 HB3 ASP A 229 12.697 4.087 -3.992 1.00 0.25 H new ATOM 1055 N PHE A 230 12.116 1.131 -3.610 1.00 0.17 N ATOM 1056 CA PHE A 230 11.375 0.196 -2.775 1.00 0.17 C ATOM 1057 C PHE A 230 12.014 -1.174 -2.868 1.00 0.18 C ATOM 1058 O PHE A 230 12.264 -1.809 -1.858 1.00 0.21 O ATOM 1059 CB PHE A 230 9.909 0.090 -3.188 1.00 0.17 C ATOM 1060 CG PHE A 230 9.145 -0.996 -2.460 1.00 0.17 C ATOM 1061 CD1 PHE A 230 8.546 -0.747 -1.235 1.00 0.19 C ATOM 1062 CD2 PHE A 230 8.995 -2.258 -3.022 1.00 0.19 C ATOM 1063 CE1 PHE A 230 7.812 -1.729 -0.594 1.00 0.23 C ATOM 1064 CE2 PHE A 230 8.269 -3.241 -2.378 1.00 0.21 C ATOM 1065 CZ PHE A 230 7.675 -2.974 -1.164 1.00 0.22 C ATOM 0 H PHE A 230 11.655 1.391 -4.482 1.00 0.17 H new ATOM 0 HA PHE A 230 11.408 0.571 -1.752 1.00 0.17 H new ATOM 0 HB2 PHE A 230 9.421 1.048 -3.008 1.00 0.17 H new ATOM 0 HB3 PHE A 230 9.856 -0.098 -4.260 1.00 0.17 H new ATOM 0 HD1 PHE A 230 8.654 0.225 -0.776 1.00 0.19 H new ATOM 0 HD2 PHE A 230 9.453 -2.473 -3.976 1.00 0.19 H new ATOM 0 HE1 PHE A 230 7.345 -1.518 0.357 1.00 0.23 H new ATOM 0 HE2 PHE A 230 8.167 -4.218 -2.826 1.00 0.21 H new ATOM 0 HZ PHE A 230 7.103 -3.740 -0.661 1.00 0.22 H new ATOM 1075 N PHE A 231 12.314 -1.608 -4.089 1.00 0.17 N ATOM 1076 CA PHE A 231 12.767 -2.971 -4.331 1.00 0.20 C ATOM 1077 C PHE A 231 14.163 -3.196 -3.772 1.00 0.25 C ATOM 1078 O PHE A 231 14.653 -4.319 -3.756 1.00 0.41 O ATOM 1079 CB PHE A 231 12.743 -3.304 -5.826 1.00 0.21 C ATOM 1080 CG PHE A 231 11.503 -4.021 -6.286 1.00 0.20 C ATOM 1081 CD1 PHE A 231 10.260 -3.700 -5.771 1.00 0.33 C ATOM 1082 CD2 PHE A 231 11.589 -5.020 -7.244 1.00 0.44 C ATOM 1083 CE1 PHE A 231 9.124 -4.358 -6.204 1.00 0.36 C ATOM 1084 CE2 PHE A 231 10.458 -5.681 -7.680 1.00 0.45 C ATOM 1085 CZ PHE A 231 9.224 -5.351 -7.158 1.00 0.27 C ATOM 0 H PHE A 231 12.251 -1.032 -4.928 1.00 0.17 H new ATOM 0 HA PHE A 231 12.076 -3.637 -3.814 1.00 0.20 H new ATOM 0 HB2 PHE A 231 12.844 -2.379 -6.393 1.00 0.21 H new ATOM 0 HB3 PHE A 231 13.612 -3.919 -6.062 1.00 0.21 H new ATOM 0 HD1 PHE A 231 10.176 -2.926 -5.022 1.00 0.33 H new ATOM 0 HD2 PHE A 231 12.553 -5.284 -7.654 1.00 0.44 H new ATOM 0 HE1 PHE A 231 8.159 -4.095 -5.796 1.00 0.36 H new ATOM 0 HE2 PHE A 231 10.539 -6.455 -8.429 1.00 0.45 H new ATOM 0 HZ PHE A 231 8.338 -5.869 -7.495 1.00 0.27 H new ATOM 1095 N GLN A 232 14.824 -2.131 -3.341 1.00 0.20 N ATOM 1096 CA GLN A 232 16.090 -2.297 -2.659 1.00 0.23 C ATOM 1097 C GLN A 232 15.829 -2.426 -1.170 1.00 0.25 C ATOM 1098 O GLN A 232 16.382 -3.301 -0.509 1.00 0.28 O ATOM 1099 CB GLN A 232 17.050 -1.137 -2.945 1.00 0.24 C ATOM 1100 CG GLN A 232 17.292 -0.892 -4.424 1.00 0.28 C ATOM 1101 CD GLN A 232 17.737 -2.139 -5.157 1.00 0.33 C ATOM 1102 OE1 GLN A 232 18.930 -2.426 -5.256 1.00 0.37 O ATOM 1103 NE2 GLN A 232 16.780 -2.887 -5.680 1.00 0.36 N ATOM 0 H GLN A 232 14.511 -1.166 -3.450 1.00 0.20 H new ATOM 0 HA GLN A 232 16.573 -3.201 -3.031 1.00 0.23 H new ATOM 0 HB2 GLN A 232 16.650 -0.228 -2.496 1.00 0.24 H new ATOM 0 HB3 GLN A 232 18.004 -1.339 -2.459 1.00 0.24 H new ATOM 0 HG2 GLN A 232 16.377 -0.514 -4.880 1.00 0.28 H new ATOM 0 HG3 GLN A 232 18.050 -0.117 -4.541 1.00 0.28 H new ATOM 0 HE21 GLN A 232 15.803 -2.613 -5.575 1.00 0.36 H new ATOM 0 HE22 GLN A 232 17.019 -3.738 -6.189 1.00 0.36 H new ATOM 1112 N ARG A 233 14.966 -1.547 -0.654 1.00 0.24 N ATOM 1113 CA ARG A 233 14.520 -1.607 0.736 1.00 0.27 C ATOM 1114 C ARG A 233 13.834 -2.944 1.016 1.00 0.29 C ATOM 1115 O ARG A 233 13.926 -3.492 2.113 1.00 0.33 O ATOM 1116 CB ARG A 233 13.499 -0.495 1.009 1.00 0.27 C ATOM 1117 CG ARG A 233 14.010 0.918 0.781 1.00 0.27 C ATOM 1118 CD ARG A 233 12.939 1.941 1.133 1.00 0.40 C ATOM 1119 NE ARG A 233 13.266 3.284 0.655 1.00 0.69 N ATOM 1120 CZ ARG A 233 13.305 4.368 1.427 1.00 0.67 C ATOM 1121 NH1 ARG A 233 13.073 4.279 2.735 1.00 0.93 N ATOM 1122 NH2 ARG A 233 13.570 5.547 0.876 1.00 1.39 N ATOM 0 H ARG A 233 14.560 -0.778 -1.187 1.00 0.24 H new ATOM 0 HA ARG A 233 15.395 -1.489 1.375 1.00 0.27 H new ATOM 0 HB2 ARG A 233 12.629 -0.657 0.373 1.00 0.27 H new ATOM 0 HB3 ARG A 233 13.159 -0.580 2.041 1.00 0.27 H new ATOM 0 HG2 ARG A 233 14.899 1.091 1.388 1.00 0.27 H new ATOM 0 HG3 ARG A 233 14.307 1.039 -0.261 1.00 0.27 H new ATOM 0 HD2 ARG A 233 11.987 1.628 0.703 1.00 0.40 H new ATOM 0 HD3 ARG A 233 12.807 1.966 2.215 1.00 0.40 H new ATOM 0 HE ARG A 233 13.478 3.398 -0.336 1.00 0.69 H new ATOM 0 HH11 ARG A 233 12.863 3.374 3.155 1.00 0.93 H new ATOM 0 HH12 ARG A 233 13.106 5.116 3.317 1.00 0.93 H new ATOM 0 HH21 ARG A 233 13.741 5.614 -0.127 1.00 1.39 H new ATOM 0 HH22 ARG A 233 13.603 6.385 1.456 1.00 1.39 H new ATOM 1136 N VAL A 234 13.164 -3.456 -0.019 1.00 0.27 N ATOM 1137 CA VAL A 234 12.266 -4.605 0.057 1.00 0.27 C ATOM 1138 C VAL A 234 11.808 -4.961 -1.368 1.00 0.25 C ATOM 1139 O VAL A 234 10.937 -4.312 -1.938 1.00 0.24 O ATOM 1140 CB VAL A 234 11.038 -4.318 0.979 1.00 0.27 C ATOM 1141 CG1 VAL A 234 10.609 -2.863 0.892 1.00 0.28 C ATOM 1142 CG2 VAL A 234 9.852 -5.212 0.645 1.00 0.26 C ATOM 0 H VAL A 234 13.235 -3.069 -0.960 1.00 0.27 H new ATOM 0 HA VAL A 234 12.800 -5.446 0.499 1.00 0.27 H new ATOM 0 HB VAL A 234 11.361 -4.537 1.997 1.00 0.27 H new ATOM 0 HG11 VAL A 234 9.752 -2.697 1.545 1.00 0.28 H new ATOM 0 HG12 VAL A 234 11.433 -2.221 1.204 1.00 0.28 H new ATOM 0 HG13 VAL A 234 10.333 -2.626 -0.135 1.00 0.28 H new ATOM 0 HG21 VAL A 234 9.021 -4.978 1.311 1.00 0.26 H new ATOM 0 HG22 VAL A 234 9.548 -5.043 -0.388 1.00 0.26 H new ATOM 0 HG23 VAL A 234 10.136 -6.256 0.773 1.00 0.26 H new ATOM 1152 N PRO A 235 12.422 -5.977 -1.980 1.00 0.27 N ATOM 1153 CA PRO A 235 12.188 -6.319 -3.385 1.00 0.27 C ATOM 1154 C PRO A 235 10.939 -7.159 -3.610 1.00 0.30 C ATOM 1155 O PRO A 235 10.386 -7.179 -4.710 1.00 0.32 O ATOM 1156 CB PRO A 235 13.434 -7.126 -3.779 1.00 0.30 C ATOM 1157 CG PRO A 235 14.263 -7.273 -2.535 1.00 0.34 C ATOM 1158 CD PRO A 235 13.398 -6.878 -1.369 1.00 0.33 C ATOM 0 HA PRO A 235 12.028 -5.418 -3.977 1.00 0.27 H new ATOM 0 HB2 PRO A 235 13.154 -8.102 -4.175 1.00 0.30 H new ATOM 0 HB3 PRO A 235 13.996 -6.614 -4.560 1.00 0.30 H new ATOM 0 HG2 PRO A 235 14.611 -8.300 -2.425 1.00 0.34 H new ATOM 0 HG3 PRO A 235 15.149 -6.640 -2.587 1.00 0.34 H new ATOM 0 HD2 PRO A 235 12.918 -7.743 -0.910 1.00 0.33 H new ATOM 0 HD3 PRO A 235 13.974 -6.381 -0.588 1.00 0.33 H new ATOM 1166 N ARG A 236 10.475 -7.828 -2.579 1.00 0.31 N ATOM 1167 CA ARG A 236 9.367 -8.759 -2.726 1.00 0.31 C ATOM 1168 C ARG A 236 7.996 -8.100 -2.515 1.00 0.28 C ATOM 1169 O ARG A 236 7.040 -8.763 -2.119 1.00 0.32 O ATOM 1170 CB ARG A 236 9.571 -9.953 -1.777 1.00 0.39 C ATOM 1171 CG ARG A 236 9.889 -9.583 -0.324 1.00 0.67 C ATOM 1172 CD ARG A 236 8.670 -9.041 0.404 1.00 1.04 C ATOM 1173 NE ARG A 236 7.545 -9.971 0.288 1.00 1.78 N ATOM 1174 CZ ARG A 236 7.439 -11.111 0.976 1.00 2.75 C ATOM 1175 NH1 ARG A 236 8.280 -11.374 1.971 1.00 3.36 N ATOM 1176 NH2 ARG A 236 6.477 -11.978 0.680 1.00 3.49 N ATOM 0 H ARG A 236 10.842 -7.749 -1.631 1.00 0.31 H new ATOM 0 HA ARG A 236 9.365 -9.112 -3.757 1.00 0.31 H new ATOM 0 HB2 ARG A 236 8.670 -10.566 -1.790 1.00 0.39 H new ATOM 0 HB3 ARG A 236 10.382 -10.570 -2.164 1.00 0.39 H new ATOM 0 HG2 ARG A 236 10.264 -10.462 0.200 1.00 0.67 H new ATOM 0 HG3 ARG A 236 10.684 -8.838 -0.305 1.00 0.67 H new ATOM 0 HD2 ARG A 236 8.909 -8.880 1.455 1.00 1.04 H new ATOM 0 HD3 ARG A 236 8.392 -8.072 -0.011 1.00 1.04 H new ATOM 0 HE ARG A 236 6.794 -9.733 -0.360 1.00 1.78 H new ATOM 0 HH11 ARG A 236 9.010 -10.704 2.212 1.00 3.36 H new ATOM 0 HH12 ARG A 236 8.195 -12.246 2.494 1.00 3.36 H new ATOM 0 HH21 ARG A 236 5.820 -11.773 -0.072 1.00 3.49 H new ATOM 0 HH22 ARG A 236 6.396 -12.849 1.205 1.00 3.49 H new ATOM 1190 N GLY A 237 7.875 -6.808 -2.801 1.00 0.23 N ATOM 1191 CA GLY A 237 6.608 -6.135 -2.565 1.00 0.20 C ATOM 1192 C GLY A 237 5.900 -5.689 -3.834 1.00 0.15 C ATOM 1193 O GLY A 237 5.108 -4.754 -3.795 1.00 0.15 O ATOM 0 H GLY A 237 8.616 -6.222 -3.185 1.00 0.23 H new ATOM 0 HA2 GLY A 237 5.950 -6.804 -2.010 1.00 0.20 H new ATOM 0 HA3 GLY A 237 6.783 -5.264 -1.933 1.00 0.20 H new ATOM 1197 N GLU A 238 6.166 -6.364 -4.950 1.00 0.16 N ATOM 1198 CA GLU A 238 5.512 -6.060 -6.232 1.00 0.15 C ATOM 1199 C GLU A 238 3.982 -6.062 -6.124 1.00 0.13 C ATOM 1200 O GLU A 238 3.300 -5.220 -6.708 1.00 0.13 O ATOM 1201 CB GLU A 238 5.958 -7.070 -7.287 1.00 0.19 C ATOM 1202 CG GLU A 238 5.721 -8.515 -6.879 1.00 1.06 C ATOM 1203 CD GLU A 238 6.126 -9.498 -7.950 1.00 1.37 C ATOM 1204 OE1 GLU A 238 5.288 -9.812 -8.820 1.00 1.55 O ATOM 1205 OE2 GLU A 238 7.281 -9.962 -7.927 1.00 1.74 O ATOM 0 H GLU A 238 6.835 -7.133 -4.997 1.00 0.16 H new ATOM 0 HA GLU A 238 5.814 -5.054 -6.523 1.00 0.15 H new ATOM 0 HB2 GLU A 238 5.426 -6.871 -8.217 1.00 0.19 H new ATOM 0 HB3 GLU A 238 7.019 -6.927 -7.490 1.00 0.19 H new ATOM 0 HG2 GLU A 238 6.280 -8.727 -5.967 1.00 1.06 H new ATOM 0 HG3 GLU A 238 4.665 -8.653 -6.645 1.00 1.06 H new ATOM 1212 N ILE A 239 3.465 -7.004 -5.356 1.00 0.12 N ATOM 1213 CA ILE A 239 2.026 -7.192 -5.227 1.00 0.12 C ATOM 1214 C ILE A 239 1.400 -6.007 -4.465 1.00 0.12 C ATOM 1215 O ILE A 239 0.254 -5.619 -4.723 1.00 0.12 O ATOM 1216 CB ILE A 239 1.727 -8.557 -4.549 1.00 0.13 C ATOM 1217 CG1 ILE A 239 0.498 -9.233 -5.174 1.00 0.18 C ATOM 1218 CG2 ILE A 239 1.557 -8.405 -3.045 1.00 0.25 C ATOM 1219 CD1 ILE A 239 -0.800 -8.484 -4.981 1.00 0.26 C ATOM 0 H ILE A 239 4.023 -7.657 -4.807 1.00 0.12 H new ATOM 0 HA ILE A 239 1.569 -7.214 -6.216 1.00 0.12 H new ATOM 0 HB ILE A 239 2.588 -9.202 -4.723 1.00 0.13 H new ATOM 0 HG12 ILE A 239 0.674 -9.359 -6.242 1.00 0.18 H new ATOM 0 HG13 ILE A 239 0.393 -10.231 -4.748 1.00 0.18 H new ATOM 0 HG21 ILE A 239 1.349 -9.379 -2.602 1.00 0.25 H new ATOM 0 HG22 ILE A 239 2.472 -7.999 -2.615 1.00 0.25 H new ATOM 0 HG23 ILE A 239 0.728 -7.728 -2.839 1.00 0.25 H new ATOM 0 HD11 ILE A 239 -1.612 -9.035 -5.455 1.00 0.26 H new ATOM 0 HD12 ILE A 239 -1.005 -8.380 -3.916 1.00 0.26 H new ATOM 0 HD13 ILE A 239 -0.720 -7.495 -5.433 1.00 0.26 H new ATOM 1231 N LEU A 240 2.185 -5.408 -3.574 1.00 0.13 N ATOM 1232 CA LEU A 240 1.749 -4.227 -2.833 1.00 0.14 C ATOM 1233 C LEU A 240 1.390 -3.106 -3.799 1.00 0.14 C ATOM 1234 O LEU A 240 0.260 -2.620 -3.828 1.00 0.14 O ATOM 1235 CB LEU A 240 2.853 -3.741 -1.885 1.00 0.18 C ATOM 1236 CG LEU A 240 2.671 -4.100 -0.412 1.00 0.24 C ATOM 1237 CD1 LEU A 240 3.676 -3.347 0.433 1.00 0.45 C ATOM 1238 CD2 LEU A 240 1.264 -3.788 0.058 1.00 0.25 C ATOM 0 H LEU A 240 3.129 -5.722 -3.347 1.00 0.13 H new ATOM 0 HA LEU A 240 0.872 -4.501 -2.246 1.00 0.14 H new ATOM 0 HB2 LEU A 240 3.804 -4.152 -2.225 1.00 0.18 H new ATOM 0 HB3 LEU A 240 2.926 -2.657 -1.969 1.00 0.18 H new ATOM 0 HG LEU A 240 2.837 -5.172 -0.302 1.00 0.24 H new ATOM 0 HD11 LEU A 240 3.539 -3.609 1.482 1.00 0.45 H new ATOM 0 HD12 LEU A 240 4.686 -3.614 0.121 1.00 0.45 H new ATOM 0 HD13 LEU A 240 3.528 -2.275 0.305 1.00 0.45 H new ATOM 0 HD21 LEU A 240 1.165 -4.054 1.110 1.00 0.25 H new ATOM 0 HD22 LEU A 240 1.066 -2.723 -0.067 1.00 0.25 H new ATOM 0 HD23 LEU A 240 0.548 -4.362 -0.531 1.00 0.25 H new ATOM 1250 N TRP A 241 2.367 -2.741 -4.610 1.00 0.14 N ATOM 1251 CA TRP A 241 2.256 -1.640 -5.558 1.00 0.15 C ATOM 1252 C TRP A 241 1.111 -1.813 -6.535 1.00 0.15 C ATOM 1253 O TRP A 241 0.475 -0.853 -6.956 1.00 0.16 O ATOM 1254 CB TRP A 241 3.580 -1.541 -6.288 1.00 0.17 C ATOM 1255 CG TRP A 241 4.616 -1.142 -5.297 1.00 0.16 C ATOM 1256 CD1 TRP A 241 5.433 -1.972 -4.600 1.00 0.17 C ATOM 1257 CD2 TRP A 241 4.876 0.182 -4.814 1.00 0.16 C ATOM 1258 NE1 TRP A 241 6.190 -1.252 -3.722 1.00 0.17 N ATOM 1259 CE2 TRP A 241 5.878 0.072 -3.838 1.00 0.17 C ATOM 1260 CE3 TRP A 241 4.372 1.450 -5.117 1.00 0.18 C ATOM 1261 CZ2 TRP A 241 6.383 1.171 -3.157 1.00 0.18 C ATOM 1262 CZ3 TRP A 241 4.878 2.544 -4.442 1.00 0.19 C ATOM 1263 CH2 TRP A 241 5.875 2.399 -3.472 1.00 0.19 C ATOM 0 H TRP A 241 3.274 -3.206 -4.631 1.00 0.14 H new ATOM 0 HA TRP A 241 2.034 -0.722 -5.014 1.00 0.15 H new ATOM 0 HB2 TRP A 241 3.837 -2.497 -6.745 1.00 0.17 H new ATOM 0 HB3 TRP A 241 3.519 -0.809 -7.093 1.00 0.17 H new ATOM 0 HD1 TRP A 241 5.477 -3.044 -4.722 1.00 0.17 H new ATOM 0 HE1 TRP A 241 6.880 -1.642 -3.080 1.00 0.17 H new ATOM 0 HE3 TRP A 241 3.602 1.572 -5.864 1.00 0.18 H new ATOM 0 HZ2 TRP A 241 7.150 1.059 -2.405 1.00 0.18 H new ATOM 0 HZ3 TRP A 241 4.497 3.529 -4.667 1.00 0.19 H new ATOM 0 HH2 TRP A 241 6.250 3.274 -2.963 1.00 0.19 H new ATOM 1274 N SER A 242 0.863 -3.066 -6.867 1.00 0.15 N ATOM 1275 CA SER A 242 -0.168 -3.437 -7.817 1.00 0.15 C ATOM 1276 C SER A 242 -1.537 -3.002 -7.297 1.00 0.14 C ATOM 1277 O SER A 242 -2.312 -2.344 -8.000 1.00 0.14 O ATOM 1278 CB SER A 242 -0.128 -4.951 -8.014 1.00 0.16 C ATOM 1279 OG SER A 242 -0.867 -5.355 -9.154 1.00 0.24 O ATOM 0 H SER A 242 1.375 -3.860 -6.482 1.00 0.15 H new ATOM 0 HA SER A 242 0.007 -2.941 -8.771 1.00 0.15 H new ATOM 0 HB2 SER A 242 0.907 -5.276 -8.118 1.00 0.16 H new ATOM 0 HB3 SER A 242 -0.529 -5.443 -7.128 1.00 0.16 H new ATOM 0 HG SER A 242 -0.817 -6.329 -9.248 1.00 0.24 H new ATOM 1285 N HIS A 243 -1.811 -3.353 -6.047 1.00 0.13 N ATOM 1286 CA HIS A 243 -3.041 -2.941 -5.393 1.00 0.13 C ATOM 1287 C HIS A 243 -3.012 -1.433 -5.170 1.00 0.13 C ATOM 1288 O HIS A 243 -4.043 -0.769 -5.157 1.00 0.13 O ATOM 1289 CB HIS A 243 -3.210 -3.684 -4.061 1.00 0.15 C ATOM 1290 CG HIS A 243 -4.373 -3.214 -3.233 1.00 0.15 C ATOM 1291 ND1 HIS A 243 -4.296 -3.170 -1.864 1.00 0.17 N ATOM 1292 CD2 HIS A 243 -5.603 -2.785 -3.619 1.00 0.15 C ATOM 1293 CE1 HIS A 243 -5.465 -2.723 -1.450 1.00 0.17 C ATOM 1294 NE2 HIS A 243 -6.290 -2.475 -2.475 1.00 0.17 N ATOM 0 H HIS A 243 -1.195 -3.923 -5.467 1.00 0.13 H new ATOM 0 HA HIS A 243 -3.891 -3.190 -6.028 1.00 0.13 H new ATOM 0 HB2 HIS A 243 -3.331 -4.748 -4.265 1.00 0.15 H new ATOM 0 HB3 HIS A 243 -2.296 -3.573 -3.478 1.00 0.15 H new ATOM 0 HD1 HIS A 243 -3.498 -3.430 -1.285 1.00 0.17 H new ATOM 0 HD2 HIS A 243 -5.969 -2.704 -4.632 1.00 0.15 H new ATOM 0 HE1 HIS A 243 -5.725 -2.575 -0.412 1.00 0.17 H new ATOM 1302 N LEU A 244 -1.813 -0.905 -5.036 1.00 0.13 N ATOM 1303 CA LEU A 244 -1.647 0.511 -4.784 1.00 0.12 C ATOM 1304 C LEU A 244 -2.022 1.330 -6.020 1.00 0.13 C ATOM 1305 O LEU A 244 -2.662 2.381 -5.900 1.00 0.12 O ATOM 1306 CB LEU A 244 -0.231 0.834 -4.301 1.00 0.13 C ATOM 1307 CG LEU A 244 0.061 2.321 -4.167 1.00 0.15 C ATOM 1308 CD1 LEU A 244 -1.022 3.000 -3.340 1.00 0.17 C ATOM 1309 CD2 LEU A 244 1.432 2.545 -3.548 1.00 0.17 C ATOM 0 H LEU A 244 -0.942 -1.433 -5.097 1.00 0.13 H new ATOM 0 HA LEU A 244 -2.328 0.790 -3.980 1.00 0.12 H new ATOM 0 HB2 LEU A 244 -0.072 0.356 -3.335 1.00 0.13 H new ATOM 0 HB3 LEU A 244 0.486 0.396 -4.996 1.00 0.13 H new ATOM 0 HG LEU A 244 0.063 2.765 -5.163 1.00 0.15 H new ATOM 0 HD11 LEU A 244 -0.800 4.064 -3.252 1.00 0.17 H new ATOM 0 HD12 LEU A 244 -1.988 2.870 -3.828 1.00 0.17 H new ATOM 0 HD13 LEU A 244 -1.055 2.553 -2.346 1.00 0.17 H new ATOM 0 HD21 LEU A 244 1.621 3.615 -3.461 1.00 0.17 H new ATOM 0 HD22 LEU A 244 1.463 2.089 -2.558 1.00 0.17 H new ATOM 0 HD23 LEU A 244 2.195 2.092 -4.180 1.00 0.17 H new ATOM 1321 N GLU A 245 -1.625 0.864 -7.201 1.00 0.15 N ATOM 1322 CA GLU A 245 -2.096 1.477 -8.438 1.00 0.18 C ATOM 1323 C GLU A 245 -3.620 1.506 -8.436 1.00 0.17 C ATOM 1324 O GLU A 245 -4.240 2.530 -8.705 1.00 0.21 O ATOM 1325 CB GLU A 245 -1.613 0.710 -9.669 1.00 0.25 C ATOM 1326 CG GLU A 245 -0.114 0.482 -9.741 1.00 0.34 C ATOM 1327 CD GLU A 245 0.258 -0.369 -10.938 1.00 0.59 C ATOM 1328 OE1 GLU A 245 0.466 0.198 -12.029 1.00 0.83 O ATOM 1329 OE2 GLU A 245 0.308 -1.613 -10.802 1.00 0.76 O ATOM 0 H GLU A 245 -0.989 0.077 -7.327 1.00 0.15 H new ATOM 0 HA GLU A 245 -1.692 2.488 -8.487 1.00 0.18 H new ATOM 0 HB2 GLU A 245 -2.113 -0.258 -9.694 1.00 0.25 H new ATOM 0 HB3 GLU A 245 -1.925 1.253 -10.561 1.00 0.25 H new ATOM 0 HG2 GLU A 245 0.399 1.442 -9.801 1.00 0.34 H new ATOM 0 HG3 GLU A 245 0.226 -0.005 -8.827 1.00 0.34 H new ATOM 1336 N LEU A 246 -4.200 0.368 -8.083 1.00 0.16 N ATOM 1337 CA LEU A 246 -5.649 0.199 -8.062 1.00 0.16 C ATOM 1338 C LEU A 246 -6.306 1.092 -7.008 1.00 0.16 C ATOM 1339 O LEU A 246 -7.401 1.605 -7.228 1.00 0.17 O ATOM 1340 CB LEU A 246 -5.990 -1.276 -7.825 1.00 0.17 C ATOM 1341 CG LEU A 246 -7.475 -1.619 -7.743 1.00 0.21 C ATOM 1342 CD1 LEU A 246 -8.126 -1.455 -9.101 1.00 0.30 C ATOM 1343 CD2 LEU A 246 -7.661 -3.037 -7.228 1.00 0.22 C ATOM 0 H LEU A 246 -3.682 -0.465 -7.803 1.00 0.16 H new ATOM 0 HA LEU A 246 -6.047 0.506 -9.029 1.00 0.16 H new ATOM 0 HB2 LEU A 246 -5.546 -1.864 -8.629 1.00 0.17 H new ATOM 0 HB3 LEU A 246 -5.513 -1.593 -6.898 1.00 0.17 H new ATOM 0 HG LEU A 246 -7.956 -0.934 -7.045 1.00 0.21 H new ATOM 0 HD11 LEU A 246 -9.185 -1.703 -9.029 1.00 0.30 H new ATOM 0 HD12 LEU A 246 -8.016 -0.423 -9.435 1.00 0.30 H new ATOM 0 HD13 LEU A 246 -7.645 -2.121 -9.818 1.00 0.30 H new ATOM 0 HD21 LEU A 246 -8.725 -3.268 -7.175 1.00 0.22 H new ATOM 0 HD22 LEU A 246 -7.171 -3.737 -7.905 1.00 0.22 H new ATOM 0 HD23 LEU A 246 -7.221 -3.124 -6.235 1.00 0.22 H new ATOM 1355 N LEU A 247 -5.638 1.291 -5.889 1.00 0.17 N ATOM 1356 CA LEU A 247 -6.087 2.255 -4.889 1.00 0.16 C ATOM 1357 C LEU A 247 -6.237 3.655 -5.490 1.00 0.17 C ATOM 1358 O LEU A 247 -7.343 4.192 -5.549 1.00 0.19 O ATOM 1359 CB LEU A 247 -5.113 2.303 -3.706 1.00 0.15 C ATOM 1360 CG LEU A 247 -5.088 1.054 -2.821 1.00 0.15 C ATOM 1361 CD1 LEU A 247 -3.982 1.157 -1.784 1.00 0.15 C ATOM 1362 CD2 LEU A 247 -6.432 0.860 -2.136 1.00 0.19 C ATOM 0 H LEU A 247 -4.779 0.799 -5.644 1.00 0.17 H new ATOM 0 HA LEU A 247 -7.064 1.925 -4.535 1.00 0.16 H new ATOM 0 HB2 LEU A 247 -4.108 2.473 -4.092 1.00 0.15 H new ATOM 0 HB3 LEU A 247 -5.366 3.162 -3.085 1.00 0.15 H new ATOM 0 HG LEU A 247 -4.891 0.190 -3.455 1.00 0.15 H new ATOM 0 HD11 LEU A 247 -3.980 0.260 -1.164 1.00 0.15 H new ATOM 0 HD12 LEU A 247 -3.020 1.253 -2.287 1.00 0.15 H new ATOM 0 HD13 LEU A 247 -4.152 2.032 -1.156 1.00 0.15 H new ATOM 0 HD21 LEU A 247 -6.396 -0.032 -1.511 1.00 0.19 H new ATOM 0 HD22 LEU A 247 -6.653 1.729 -1.516 1.00 0.19 H new ATOM 0 HD23 LEU A 247 -7.211 0.744 -2.889 1.00 0.19 H new ATOM 1374 N ARG A 248 -5.155 4.230 -5.974 1.00 0.18 N ATOM 1375 CA ARG A 248 -5.206 5.627 -6.399 1.00 0.22 C ATOM 1376 C ARG A 248 -5.983 5.791 -7.713 1.00 0.23 C ATOM 1377 O ARG A 248 -6.416 6.892 -8.049 1.00 0.36 O ATOM 1378 CB ARG A 248 -3.805 6.228 -6.496 1.00 0.25 C ATOM 1379 CG ARG A 248 -2.990 5.727 -7.681 1.00 0.28 C ATOM 1380 CD ARG A 248 -1.541 6.191 -7.606 1.00 0.27 C ATOM 1381 NE ARG A 248 -1.394 7.477 -6.910 1.00 1.21 N ATOM 1382 CZ ARG A 248 -0.223 8.093 -6.720 1.00 1.50 C ATOM 1383 NH1 ARG A 248 0.879 7.638 -7.310 1.00 1.09 N ATOM 1384 NH2 ARG A 248 -0.158 9.183 -5.961 1.00 2.49 N ATOM 0 H ARG A 248 -4.250 3.773 -6.084 1.00 0.18 H new ATOM 0 HA ARG A 248 -5.749 6.182 -5.634 1.00 0.22 H new ATOM 0 HB2 ARG A 248 -3.891 7.313 -6.562 1.00 0.25 H new ATOM 0 HB3 ARG A 248 -3.263 6.006 -5.577 1.00 0.25 H new ATOM 0 HG2 ARG A 248 -3.022 4.638 -7.710 1.00 0.28 H new ATOM 0 HG3 ARG A 248 -3.439 6.084 -8.608 1.00 0.28 H new ATOM 0 HD2 ARG A 248 -0.947 5.435 -7.093 1.00 0.27 H new ATOM 0 HD3 ARG A 248 -1.139 6.281 -8.615 1.00 0.27 H new ATOM 0 HE ARG A 248 -2.236 7.926 -6.550 1.00 1.21 H new ATOM 0 HH11 ARG A 248 0.833 6.815 -7.911 1.00 1.09 H new ATOM 0 HH12 ARG A 248 1.770 8.112 -7.161 1.00 1.09 H new ATOM 0 HH21 ARG A 248 -1.003 9.550 -5.523 1.00 2.49 H new ATOM 0 HH22 ARG A 248 0.736 9.652 -5.817 1.00 2.49 H new ATOM 1398 N LYS A 249 -6.178 4.698 -8.432 1.00 0.21 N ATOM 1399 CA LYS A 249 -7.002 4.717 -9.642 1.00 0.25 C ATOM 1400 C LYS A 249 -8.494 4.659 -9.317 1.00 0.20 C ATOM 1401 O LYS A 249 -9.297 5.367 -9.927 1.00 0.25 O ATOM 1402 CB LYS A 249 -6.652 3.554 -10.571 1.00 0.33 C ATOM 1403 CG LYS A 249 -5.298 3.699 -11.250 1.00 0.44 C ATOM 1404 CD LYS A 249 -5.107 2.680 -12.366 1.00 1.04 C ATOM 1405 CE LYS A 249 -5.738 3.136 -13.678 1.00 1.12 C ATOM 1406 NZ LYS A 249 -7.225 3.108 -13.653 1.00 1.32 N ATOM 0 H LYS A 249 -5.781 3.786 -8.205 1.00 0.21 H new ATOM 0 HA LYS A 249 -6.787 5.661 -10.144 1.00 0.25 H new ATOM 0 HB2 LYS A 249 -6.664 2.627 -9.998 1.00 0.33 H new ATOM 0 HB3 LYS A 249 -7.424 3.466 -11.335 1.00 0.33 H new ATOM 0 HG2 LYS A 249 -5.203 4.705 -11.658 1.00 0.44 H new ATOM 0 HG3 LYS A 249 -4.507 3.579 -10.510 1.00 0.44 H new ATOM 0 HD2 LYS A 249 -4.042 2.506 -12.518 1.00 1.04 H new ATOM 0 HD3 LYS A 249 -5.545 1.728 -12.066 1.00 1.04 H new ATOM 0 HE2 LYS A 249 -5.404 4.149 -13.902 1.00 1.12 H new ATOM 0 HE3 LYS A 249 -5.382 2.497 -14.486 1.00 1.12 H new ATOM 0 HZ1 LYS A 249 -7.587 3.041 -14.626 1.00 1.32 H new ATOM 0 HZ2 LYS A 249 -7.548 2.285 -13.106 1.00 1.32 H new ATOM 0 HZ3 LYS A 249 -7.581 3.979 -13.210 1.00 1.32 H new ATOM 1420 N TYR A 250 -8.858 3.853 -8.334 1.00 0.24 N ATOM 1421 CA TYR A 250 -10.266 3.506 -8.111 1.00 0.41 C ATOM 1422 C TYR A 250 -10.866 4.292 -6.960 1.00 0.49 C ATOM 1423 O TYR A 250 -11.601 3.759 -6.126 1.00 0.58 O ATOM 1424 CB TYR A 250 -10.445 2.003 -7.888 1.00 0.51 C ATOM 1425 CG TYR A 250 -10.550 1.201 -9.167 1.00 0.50 C ATOM 1426 CD1 TYR A 250 -9.768 1.505 -10.277 1.00 1.05 C ATOM 1427 CD2 TYR A 250 -11.437 0.136 -9.263 1.00 0.64 C ATOM 1428 CE1 TYR A 250 -9.867 0.770 -11.443 1.00 1.05 C ATOM 1429 CE2 TYR A 250 -11.541 -0.603 -10.425 1.00 0.69 C ATOM 1430 CZ TYR A 250 -10.757 -0.281 -11.511 1.00 0.54 C ATOM 1431 OH TYR A 250 -10.855 -1.018 -12.668 1.00 0.59 O ATOM 0 H TYR A 250 -8.207 3.424 -7.676 1.00 0.24 H new ATOM 0 HA TYR A 250 -10.805 3.781 -9.018 1.00 0.41 H new ATOM 0 HB2 TYR A 250 -9.603 1.630 -7.305 1.00 0.51 H new ATOM 0 HB3 TYR A 250 -11.343 1.838 -7.293 1.00 0.51 H new ATOM 0 HD1 TYR A 250 -9.072 2.329 -10.226 1.00 1.05 H new ATOM 0 HD2 TYR A 250 -12.055 -0.118 -8.415 1.00 0.64 H new ATOM 0 HE1 TYR A 250 -9.251 1.017 -12.295 1.00 1.05 H new ATOM 0 HE2 TYR A 250 -12.234 -1.430 -10.482 1.00 0.69 H new ATOM 0 HH TYR A 250 -11.527 -1.722 -12.551 1.00 0.59 H new ATOM 1441 N VAL A 251 -10.539 5.567 -6.940 1.00 0.55 N ATOM 1442 CA VAL A 251 -11.184 6.529 -6.066 1.00 0.76 C ATOM 1443 C VAL A 251 -11.211 7.881 -6.777 1.00 0.83 C ATOM 1444 O VAL A 251 -11.684 8.885 -6.241 1.00 1.07 O ATOM 1445 CB VAL A 251 -10.431 6.654 -4.723 1.00 1.13 C ATOM 1446 CG1 VAL A 251 -9.053 7.250 -4.943 1.00 0.86 C ATOM 1447 CG2 VAL A 251 -11.220 7.476 -3.713 1.00 1.95 C ATOM 0 H VAL A 251 -9.813 5.970 -7.533 1.00 0.55 H new ATOM 0 HA VAL A 251 -12.197 6.193 -5.846 1.00 0.76 H new ATOM 0 HB VAL A 251 -10.316 5.652 -4.310 1.00 1.13 H new ATOM 0 HG11 VAL A 251 -8.535 7.332 -3.987 1.00 0.86 H new ATOM 0 HG12 VAL A 251 -8.481 6.607 -5.612 1.00 0.86 H new ATOM 0 HG13 VAL A 251 -9.152 8.240 -5.388 1.00 0.86 H new ATOM 0 HG21 VAL A 251 -10.659 7.542 -2.781 1.00 1.95 H new ATOM 0 HG22 VAL A 251 -11.385 8.478 -4.109 1.00 1.95 H new ATOM 0 HG23 VAL A 251 -12.181 6.997 -3.525 1.00 1.95 H new ATOM 1457 N LEU A 252 -10.718 7.867 -8.022 1.00 1.23 N ATOM 1458 CA LEU A 252 -10.478 9.088 -8.792 1.00 2.17 C ATOM 1459 C LEU A 252 -9.419 9.934 -8.091 1.00 3.19 C ATOM 1460 O LEU A 252 -9.387 11.156 -8.239 1.00 3.99 O ATOM 1461 CB LEU A 252 -11.771 9.898 -9.000 1.00 2.05 C ATOM 1462 CG LEU A 252 -12.775 9.317 -10.010 1.00 2.25 C ATOM 1463 CD1 LEU A 252 -13.378 8.012 -9.513 1.00 2.35 C ATOM 1464 CD2 LEU A 252 -13.875 10.324 -10.294 1.00 2.64 C ATOM 0 H LEU A 252 -10.476 7.010 -8.520 1.00 1.23 H new ATOM 0 HA LEU A 252 -10.118 8.802 -9.780 1.00 2.17 H new ATOM 0 HB2 LEU A 252 -12.272 9.999 -8.037 1.00 2.05 H new ATOM 0 HB3 LEU A 252 -11.499 10.902 -9.325 1.00 2.05 H new ATOM 0 HG LEU A 252 -12.233 9.105 -10.932 1.00 2.25 H new ATOM 0 HD11 LEU A 252 -14.082 7.632 -10.253 1.00 2.35 H new ATOM 0 HD12 LEU A 252 -12.585 7.281 -9.357 1.00 2.35 H new ATOM 0 HD13 LEU A 252 -13.900 8.187 -8.572 1.00 2.35 H new ATOM 0 HD21 LEU A 252 -14.579 9.901 -11.010 1.00 2.64 H new ATOM 0 HD22 LEU A 252 -14.398 10.562 -9.368 1.00 2.64 H new ATOM 0 HD23 LEU A 252 -13.438 11.233 -10.708 1.00 2.64 H new ATOM 1476 N ALA A 253 -8.542 9.242 -7.351 1.00 3.24 N ATOM 1477 CA ALA A 253 -7.517 9.860 -6.507 1.00 4.18 C ATOM 1478 C ALA A 253 -8.137 10.705 -5.388 1.00 4.09 C ATOM 1479 O ALA A 253 -8.869 11.660 -5.641 1.00 4.94 O ATOM 1480 CB ALA A 253 -6.541 10.661 -7.349 1.00 4.92 C ATOM 0 H ALA A 253 -8.527 8.222 -7.323 1.00 3.24 H new ATOM 0 HA ALA A 253 -6.957 9.062 -6.020 1.00 4.18 H new ATOM 0 HB1 ALA A 253 -5.788 11.112 -6.703 1.00 4.92 H new ATOM 0 HB2 ALA A 253 -6.055 10.002 -8.068 1.00 4.92 H new ATOM 0 HB3 ALA A 253 -7.079 11.445 -7.882 1.00 4.92 H new ATOM 1486 N SER A 254 -7.836 10.340 -4.145 1.00 3.08 N ATOM 1487 CA SER A 254 -8.451 10.974 -2.984 1.00 2.81 C ATOM 1488 C SER A 254 -7.952 12.405 -2.807 1.00 3.53 C ATOM 1489 O SER A 254 -8.714 13.349 -3.121 1.00 3.77 O ATOM 1490 CB SER A 254 -8.177 10.147 -1.724 1.00 3.46 C ATOM 1491 OG SER A 254 -6.793 9.870 -1.589 1.00 3.67 O ATOM 1492 OXT SER A 254 -6.801 12.581 -2.363 1.00 4.31 O ATOM 0 H SER A 254 -7.167 9.605 -3.916 1.00 3.08 H new ATOM 0 HA SER A 254 -9.528 11.016 -3.150 1.00 2.81 H new ATOM 0 HB2 SER A 254 -8.531 10.687 -0.846 1.00 3.46 H new ATOM 0 HB3 SER A 254 -8.736 9.212 -1.770 1.00 3.46 H new ATOM 0 HG SER A 254 -6.276 10.671 -1.815 1.00 3.67 H new TER 1498 SER A 254