USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 372 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 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 THR OG1 : rot -11:sc= 0.757 USER MOD Single : A 183 SER OG : rot -34:sc= 0.599 USER MOD Single : A 185 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 THR OG1 : rot 30:sc= 0.144 USER MOD Single : A 209 MET CE :methyl 156:sc= 0 (180deg=-0.884) USER MOD Single : A 214 SER OG : rot -75:sc= 0.113 USER MOD Single : A 216 LYS NZ :NH3+ 161:sc= -0.0345 (180deg=-0.354) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 168 -16.510 10.148 -1.586 1.00 0.00 N ATOM 90 CA ALA A 168 -15.170 10.725 -1.376 1.00 0.00 C ATOM 91 C ALA A 168 -14.363 9.958 -0.321 1.00 0.00 C ATOM 92 O ALA A 168 -13.178 9.694 -0.524 1.00 0.00 O ATOM 93 CB ALA A 168 -15.279 12.209 -0.980 1.00 0.00 C ATOM 0 HA ALA A 168 -14.635 10.640 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -14.281 12.619 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -15.782 12.761 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -15.852 12.298 -0.057 1.00 0.00 H new ATOM 99 N SER A 169 -14.980 9.575 0.804 1.00 0.00 N ATOM 100 CA SER A 169 -14.209 8.934 1.881 1.00 0.00 C ATOM 101 C SER A 169 -13.833 7.496 1.510 1.00 0.00 C ATOM 102 O SER A 169 -12.702 7.078 1.742 1.00 0.00 O ATOM 103 CB SER A 169 -14.940 8.966 3.239 1.00 0.00 C ATOM 104 OG SER A 169 -16.053 8.073 3.247 1.00 0.00 O ATOM 0 H SER A 169 -15.976 9.691 0.991 1.00 0.00 H new ATOM 0 HA SER A 169 -13.296 9.519 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 169 -14.247 8.694 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 169 -15.282 9.980 3.447 1.00 0.00 H new ATOM 0 HG SER A 169 -16.497 8.112 4.120 1.00 0.00 H new ATOM 110 N THR A 170 -14.764 6.715 0.950 1.00 0.00 N ATOM 111 CA THR A 170 -14.438 5.337 0.530 1.00 0.00 C ATOM 112 C THR A 170 -13.273 5.335 -0.474 1.00 0.00 C ATOM 113 O THR A 170 -12.356 4.519 -0.378 1.00 0.00 O ATOM 114 CB THR A 170 -15.691 4.606 -0.024 1.00 0.00 C ATOM 115 OG1 THR A 170 -15.354 3.252 -0.343 1.00 0.00 O ATOM 116 CG2 THR A 170 -16.327 5.262 -1.264 1.00 0.00 C ATOM 0 H THR A 170 -15.728 6.999 0.778 1.00 0.00 H new ATOM 0 HA THR A 170 -14.111 4.779 1.408 1.00 0.00 H new ATOM 0 HB THR A 170 -16.436 4.664 0.770 1.00 0.00 H new ATOM 0 HG1 THR A 170 -16.146 2.791 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 170 -17.194 4.682 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 170 -16.639 6.277 -1.019 1.00 0.00 H new ATOM 0 HG23 THR A 170 -15.598 5.292 -2.074 1.00 0.00 H new ATOM 124 N PHE A 171 -13.293 6.259 -1.441 1.00 0.00 N ATOM 125 CA PHE A 171 -12.173 6.427 -2.386 1.00 0.00 C ATOM 126 C PHE A 171 -10.863 6.720 -1.638 1.00 0.00 C ATOM 127 O PHE A 171 -9.838 6.088 -1.889 1.00 0.00 O ATOM 128 CB PHE A 171 -12.516 7.597 -3.342 1.00 0.00 C ATOM 129 CG PHE A 171 -11.641 7.757 -4.525 1.00 0.00 C ATOM 130 CD1 PHE A 171 -10.691 6.793 -4.884 1.00 0.00 C ATOM 131 CD2 PHE A 171 -11.876 8.839 -5.381 1.00 0.00 C ATOM 132 CE1 PHE A 171 -9.993 6.906 -6.089 1.00 0.00 C ATOM 133 CE2 PHE A 171 -11.180 8.952 -6.587 1.00 0.00 C ATOM 134 CZ PHE A 171 -10.240 7.984 -6.943 1.00 0.00 C ATOM 0 H PHE A 171 -14.069 6.903 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 171 -12.031 5.506 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -13.541 7.465 -3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -12.491 8.525 -2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -10.497 5.958 -4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -12.600 9.592 -5.107 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -9.262 6.159 -6.361 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -11.369 9.788 -7.244 1.00 0.00 H new ATOM 0 HZ PHE A 171 -9.704 8.068 -7.877 1.00 0.00 H new ATOM 144 N LYS A 172 -10.881 7.699 -0.725 1.00 0.00 N ATOM 145 CA LYS A 172 -9.713 8.016 0.121 1.00 0.00 C ATOM 146 C LYS A 172 -9.129 6.774 0.809 1.00 0.00 C ATOM 147 O LYS A 172 -7.922 6.543 0.754 1.00 0.00 O ATOM 148 CB LYS A 172 -10.121 9.073 1.177 1.00 0.00 C ATOM 149 CG LYS A 172 -9.000 9.437 2.177 1.00 0.00 C ATOM 150 CD LYS A 172 -7.732 10.006 1.506 1.00 0.00 C ATOM 151 CE LYS A 172 -6.635 10.333 2.541 1.00 0.00 C ATOM 152 NZ LYS A 172 -5.445 10.860 1.859 1.00 0.00 N ATOM 0 H LYS A 172 -11.693 8.290 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 172 -8.930 8.412 -0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -10.441 9.979 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -10.981 8.701 1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -9.383 10.168 2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -8.731 8.548 2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -7.348 9.285 0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -7.988 10.908 0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -7.007 11.064 3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -6.375 9.437 3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -4.710 11.078 2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -5.085 10.149 1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -5.697 11.726 1.341 1.00 0.00 H new ATOM 166 N VAL A 173 -9.974 5.983 1.473 1.00 0.00 N ATOM 167 CA VAL A 173 -9.543 4.736 2.136 1.00 0.00 C ATOM 168 C VAL A 173 -8.854 3.779 1.153 1.00 0.00 C ATOM 169 O VAL A 173 -7.741 3.322 1.411 1.00 0.00 O ATOM 170 CB VAL A 173 -10.768 4.049 2.799 1.00 0.00 C ATOM 171 CG1 VAL A 173 -10.425 2.659 3.384 1.00 0.00 C ATOM 172 CG2 VAL A 173 -11.380 4.936 3.906 1.00 0.00 C ATOM 0 H VAL A 173 -10.970 6.180 1.570 1.00 0.00 H new ATOM 0 HA VAL A 173 -8.812 4.992 2.903 1.00 0.00 H new ATOM 0 HB VAL A 173 -11.500 3.909 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 173 -11.317 2.224 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 173 -10.067 2.007 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 173 -9.650 2.765 4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 173 -12.235 4.426 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 173 -10.632 5.126 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 173 -11.706 5.883 3.475 1.00 0.00 H new ATOM 182 N LEU A 174 -9.506 3.466 0.029 1.00 0.00 N ATOM 183 CA LEU A 174 -8.928 2.575 -1.000 1.00 0.00 C ATOM 184 C LEU A 174 -7.517 3.041 -1.387 1.00 0.00 C ATOM 185 O LEU A 174 -6.552 2.281 -1.325 1.00 0.00 O ATOM 186 CB LEU A 174 -9.875 2.587 -2.227 1.00 0.00 C ATOM 187 CG LEU A 174 -9.554 1.569 -3.355 1.00 0.00 C ATOM 188 CD1 LEU A 174 -10.750 1.456 -4.323 1.00 0.00 C ATOM 189 CD2 LEU A 174 -8.279 1.909 -4.160 1.00 0.00 C ATOM 0 H LEU A 174 -10.437 3.814 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 174 -8.836 1.560 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -10.890 2.401 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -9.865 3.588 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 174 -9.368 0.618 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -10.515 0.740 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -11.630 1.118 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -10.952 2.431 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -8.122 1.153 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -8.395 2.886 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -7.420 1.929 -3.489 1.00 0.00 H new ATOM 201 N ARG A 175 -7.402 4.314 -1.765 1.00 0.00 N ATOM 202 CA ARG A 175 -6.119 4.947 -2.120 1.00 0.00 C ATOM 203 C ARG A 175 -5.051 4.756 -1.032 1.00 0.00 C ATOM 204 O ARG A 175 -3.934 4.326 -1.309 1.00 0.00 O ATOM 205 CB ARG A 175 -6.433 6.445 -2.321 1.00 0.00 C ATOM 206 CG ARG A 175 -5.218 7.360 -2.564 1.00 0.00 C ATOM 207 CD ARG A 175 -5.608 8.855 -2.623 1.00 0.00 C ATOM 208 NE ARG A 175 -6.412 9.160 -3.824 1.00 0.00 N ATOM 209 CZ ARG A 175 -7.740 8.999 -3.882 1.00 0.00 C ATOM 210 NH1 ARG A 175 -8.448 8.515 -2.862 1.00 0.00 N ATOM 211 NH2 ARG A 175 -8.372 9.329 -5.002 1.00 0.00 N ATOM 0 H ARG A 175 -8.200 4.945 -1.836 1.00 0.00 H new ATOM 0 HA ARG A 175 -5.704 4.490 -3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -7.113 6.544 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -6.965 6.806 -1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.488 7.209 -1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.734 7.076 -3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -6.173 9.120 -1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -4.706 9.467 -2.623 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.931 9.511 -4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -7.979 8.251 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -9.459 8.408 -2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.846 9.696 -5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -9.383 9.215 -5.069 1.00 0.00 H new ATOM 225 N ASN A 176 -5.381 5.091 0.218 1.00 0.00 N ATOM 226 CA ASN A 176 -4.458 4.903 1.351 1.00 0.00 C ATOM 227 C ASN A 176 -3.935 3.462 1.422 1.00 0.00 C ATOM 228 O ASN A 176 -2.728 3.224 1.441 1.00 0.00 O ATOM 229 CB ASN A 176 -5.206 5.254 2.657 1.00 0.00 C ATOM 230 CG ASN A 176 -4.278 5.077 3.862 1.00 0.00 C ATOM 231 OD1 ASN A 176 -3.321 5.824 4.054 1.00 0.00 O ATOM 232 ND2 ASN A 176 -4.536 4.070 4.690 1.00 0.00 N ATOM 0 H ASN A 176 -6.281 5.495 0.476 1.00 0.00 H new ATOM 0 HA ASN A 176 -3.597 5.557 1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -5.566 6.282 2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -6.082 4.614 2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -3.936 3.908 5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -5.334 3.459 4.517 1.00 0.00 H new ATOM 239 N VAL A 177 -4.849 2.489 1.450 1.00 0.00 N ATOM 240 CA VAL A 177 -4.481 1.063 1.517 1.00 0.00 C ATOM 241 C VAL A 177 -3.525 0.671 0.382 1.00 0.00 C ATOM 242 O VAL A 177 -2.460 0.111 0.636 1.00 0.00 O ATOM 243 CB VAL A 177 -5.769 0.199 1.487 1.00 0.00 C ATOM 244 CG1 VAL A 177 -5.468 -1.314 1.402 1.00 0.00 C ATOM 245 CG2 VAL A 177 -6.654 0.481 2.723 1.00 0.00 C ATOM 0 H VAL A 177 -5.855 2.659 1.427 1.00 0.00 H new ATOM 0 HA VAL A 177 -3.950 0.883 2.452 1.00 0.00 H new ATOM 0 HB VAL A 177 -6.306 0.483 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 177 -6.405 -1.871 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 177 -4.905 -1.522 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 177 -4.882 -1.618 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 177 -7.550 -0.137 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 177 -6.097 0.247 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 177 -6.939 1.533 2.734 1.00 0.00 H new ATOM 255 N THR A 178 -3.881 0.964 -0.871 1.00 0.00 N ATOM 256 CA THR A 178 -3.023 0.609 -2.018 1.00 0.00 C ATOM 257 C THR A 178 -1.599 1.168 -1.875 1.00 0.00 C ATOM 258 O THR A 178 -0.629 0.457 -2.133 1.00 0.00 O ATOM 259 CB THR A 178 -3.665 1.050 -3.356 1.00 0.00 C ATOM 260 OG1 THR A 178 -3.943 2.453 -3.336 1.00 0.00 O ATOM 261 CG2 THR A 178 -4.968 0.282 -3.664 1.00 0.00 C ATOM 0 H THR A 178 -4.747 1.441 -1.122 1.00 0.00 H new ATOM 0 HA THR A 178 -2.938 -0.478 -2.025 1.00 0.00 H new ATOM 0 HB THR A 178 -2.944 0.821 -4.141 1.00 0.00 H new ATOM 0 HG1 THR A 178 -3.839 2.794 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 178 -5.379 0.628 -4.612 1.00 0.00 H new ATOM 0 HG22 THR A 178 -4.755 -0.785 -3.729 1.00 0.00 H new ATOM 0 HG23 THR A 178 -5.692 0.460 -2.869 1.00 0.00 H new ATOM 269 N VAL A 179 -1.451 2.435 -1.472 1.00 0.00 N ATOM 270 CA VAL A 179 -0.116 3.009 -1.198 1.00 0.00 C ATOM 271 C VAL A 179 0.658 2.185 -0.152 1.00 0.00 C ATOM 272 O VAL A 179 1.831 1.863 -0.349 1.00 0.00 O ATOM 273 CB VAL A 179 -0.257 4.487 -0.745 1.00 0.00 C ATOM 274 CG1 VAL A 179 1.090 5.096 -0.289 1.00 0.00 C ATOM 275 CG2 VAL A 179 -0.859 5.360 -1.870 1.00 0.00 C ATOM 0 H VAL A 179 -2.226 3.082 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 179 0.461 2.975 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 179 -0.932 4.480 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 179 0.936 6.131 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.482 4.523 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.802 5.064 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -0.946 6.390 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -0.210 5.325 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -1.846 4.982 -2.135 1.00 0.00 H new ATOM 285 N VAL A 180 0.022 1.853 0.976 1.00 0.00 N ATOM 286 CA VAL A 180 0.667 1.012 2.007 1.00 0.00 C ATOM 287 C VAL A 180 1.172 -0.315 1.416 1.00 0.00 C ATOM 288 O VAL A 180 2.352 -0.643 1.530 1.00 0.00 O ATOM 289 CB VAL A 180 -0.315 0.757 3.180 1.00 0.00 C ATOM 290 CG1 VAL A 180 0.278 -0.202 4.236 1.00 0.00 C ATOM 291 CG2 VAL A 180 -0.735 2.080 3.860 1.00 0.00 C ATOM 0 H VAL A 180 -0.928 2.146 1.203 1.00 0.00 H new ATOM 0 HA VAL A 180 1.535 1.549 2.388 1.00 0.00 H new ATOM 0 HB VAL A 180 -1.196 0.285 2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -0.444 -0.351 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.506 -1.161 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 180 1.192 0.228 4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.423 1.866 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 180 0.148 2.584 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -1.227 2.724 3.131 1.00 0.00 H new ATOM 301 N LEU A 181 0.296 -1.083 0.766 1.00 0.00 N ATOM 302 CA LEU A 181 0.699 -2.360 0.140 1.00 0.00 C ATOM 303 C LEU A 181 1.875 -2.182 -0.831 1.00 0.00 C ATOM 304 O LEU A 181 2.824 -2.966 -0.825 1.00 0.00 O ATOM 305 CB LEU A 181 -0.496 -3.017 -0.593 1.00 0.00 C ATOM 306 CG LEU A 181 -1.458 -3.789 0.344 1.00 0.00 C ATOM 307 CD1 LEU A 181 -2.189 -2.886 1.359 1.00 0.00 C ATOM 308 CD2 LEU A 181 -2.475 -4.619 -0.468 1.00 0.00 C ATOM 0 H LEU A 181 -0.691 -0.852 0.655 1.00 0.00 H new ATOM 0 HA LEU A 181 1.028 -3.016 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 181 -1.058 -2.244 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 181 -0.114 -3.702 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 181 -0.828 -4.461 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 181 -2.845 -3.495 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 181 -1.457 -2.381 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 181 -2.782 -2.144 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 181 -3.138 -5.151 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 181 -3.063 -3.955 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 181 -1.943 -5.338 -1.091 1.00 0.00 H new ATOM 320 N TRP A 182 1.814 -1.150 -1.678 1.00 0.00 N ATOM 321 CA TRP A 182 2.900 -0.834 -2.622 1.00 0.00 C ATOM 322 C TRP A 182 4.251 -0.714 -1.901 1.00 0.00 C ATOM 323 O TRP A 182 5.207 -1.404 -2.249 1.00 0.00 O ATOM 324 CB TRP A 182 2.558 0.503 -3.322 1.00 0.00 C ATOM 325 CG TRP A 182 3.558 0.911 -4.418 1.00 0.00 C ATOM 326 CD1 TRP A 182 3.676 2.213 -4.930 1.00 0.00 C ATOM 327 CD2 TRP A 182 4.490 0.140 -5.154 1.00 0.00 C ATOM 328 NE1 TRP A 182 4.615 2.283 -5.906 1.00 0.00 N ATOM 329 CE2 TRP A 182 5.129 1.030 -6.063 1.00 0.00 C ATOM 330 CE3 TRP A 182 4.845 -1.213 -5.163 1.00 0.00 C ATOM 331 CZ2 TRP A 182 6.110 0.546 -6.930 1.00 0.00 C ATOM 332 CZ3 TRP A 182 5.825 -1.682 -6.040 1.00 0.00 C ATOM 333 CH2 TRP A 182 6.459 -0.805 -6.919 1.00 0.00 C ATOM 0 H TRP A 182 1.019 -0.513 -1.732 1.00 0.00 H new ATOM 0 HA TRP A 182 2.987 -1.640 -3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 182 1.564 0.427 -3.762 1.00 0.00 H new ATOM 0 HB3 TRP A 182 2.515 1.293 -2.572 1.00 0.00 H new ATOM 0 HD1 TRP A 182 3.091 3.055 -4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 182 4.886 3.118 -6.426 1.00 0.00 H new ATOM 0 HE3 TRP A 182 4.358 -1.900 -4.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 182 6.602 1.222 -7.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 182 6.093 -2.728 -6.037 1.00 0.00 H new ATOM 0 HH2 TRP A 182 7.220 -1.171 -7.592 1.00 0.00 H new ATOM 344 N SER A 183 4.345 0.151 -0.886 1.00 0.00 N ATOM 345 CA SER A 183 5.612 0.346 -0.149 1.00 0.00 C ATOM 346 C SER A 183 6.093 -0.939 0.547 1.00 0.00 C ATOM 347 O SER A 183 7.291 -1.219 0.609 1.00 0.00 O ATOM 348 CB SER A 183 5.472 1.506 0.867 1.00 0.00 C ATOM 349 OG SER A 183 4.636 1.144 1.973 1.00 0.00 O ATOM 0 H SER A 183 3.571 0.726 -0.553 1.00 0.00 H new ATOM 0 HA SER A 183 6.375 0.608 -0.882 1.00 0.00 H new ATOM 0 HB2 SER A 183 6.458 1.789 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 183 5.055 2.380 0.366 1.00 0.00 H new ATOM 0 HG SER A 183 3.923 0.548 1.663 1.00 0.00 H new ATOM 355 N ALA A 184 5.160 -1.714 1.108 1.00 0.00 N ATOM 356 CA ALA A 184 5.485 -3.014 1.726 1.00 0.00 C ATOM 357 C ALA A 184 6.205 -3.959 0.752 1.00 0.00 C ATOM 358 O ALA A 184 7.316 -4.407 1.024 1.00 0.00 O ATOM 359 CB ALA A 184 4.182 -3.682 2.216 1.00 0.00 C ATOM 0 H ALA A 184 4.171 -1.468 1.150 1.00 0.00 H new ATOM 0 HA ALA A 184 6.160 -2.825 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 184 4.416 -4.643 2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 184 3.697 -3.039 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.512 -3.836 1.370 1.00 0.00 H new ATOM 365 N TYR A 185 5.584 -4.238 -0.400 1.00 0.00 N ATOM 366 CA TYR A 185 6.087 -5.211 -1.396 1.00 0.00 C ATOM 367 C TYR A 185 7.619 -5.250 -1.594 1.00 0.00 C ATOM 368 O TYR A 185 8.216 -6.316 -1.442 1.00 0.00 O ATOM 369 CB TYR A 185 5.398 -4.941 -2.757 1.00 0.00 C ATOM 370 CG TYR A 185 5.849 -5.847 -3.829 1.00 0.00 C ATOM 371 CD1 TYR A 185 5.559 -7.214 -3.758 1.00 0.00 C ATOM 372 CD2 TYR A 185 6.579 -5.347 -4.911 1.00 0.00 C ATOM 373 CE1 TYR A 185 5.995 -8.075 -4.767 1.00 0.00 C ATOM 374 CE2 TYR A 185 7.012 -6.208 -5.921 1.00 0.00 C ATOM 375 CZ TYR A 185 6.721 -7.573 -5.851 1.00 0.00 C ATOM 376 OH TYR A 185 7.148 -8.420 -6.852 1.00 0.00 O ATOM 0 H TYR A 185 4.708 -3.794 -0.676 1.00 0.00 H new ATOM 0 HA TYR A 185 5.836 -6.191 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 185 4.319 -5.041 -2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 185 5.591 -3.911 -3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 185 4.997 -7.604 -2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 185 6.808 -4.293 -4.966 1.00 0.00 H new ATOM 0 HE1 TYR A 185 5.771 -9.130 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 185 7.573 -5.819 -6.758 1.00 0.00 H new ATOM 0 HH TYR A 185 7.637 -7.907 -7.529 1.00 0.00 H new ATOM 386 N PRO A 186 8.300 -4.148 -1.943 1.00 0.00 N ATOM 387 CA PRO A 186 9.755 -4.143 -2.172 1.00 0.00 C ATOM 388 C PRO A 186 10.542 -4.582 -0.933 1.00 0.00 C ATOM 389 O PRO A 186 11.478 -5.374 -1.038 1.00 0.00 O ATOM 390 CB PRO A 186 10.074 -2.695 -2.584 1.00 0.00 C ATOM 391 CG PRO A 186 8.946 -1.885 -1.965 1.00 0.00 C ATOM 392 CD PRO A 186 7.730 -2.807 -2.125 1.00 0.00 C ATOM 0 HA PRO A 186 10.049 -4.860 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 186 11.047 -2.378 -2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 186 10.098 -2.584 -3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 186 9.142 -1.654 -0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 186 8.802 -0.935 -2.479 1.00 0.00 H new ATOM 0 HD2 PRO A 186 6.961 -2.592 -1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 186 7.267 -2.696 -3.105 1.00 0.00 H new ATOM 400 N VAL A 187 10.179 -4.075 0.249 1.00 0.00 N ATOM 401 CA VAL A 187 10.818 -4.511 1.507 1.00 0.00 C ATOM 402 C VAL A 187 10.632 -6.024 1.715 1.00 0.00 C ATOM 403 O VAL A 187 11.576 -6.743 2.047 1.00 0.00 O ATOM 404 CB VAL A 187 10.214 -3.726 2.701 1.00 0.00 C ATOM 405 CG1 VAL A 187 10.877 -4.108 4.044 1.00 0.00 C ATOM 406 CG2 VAL A 187 10.283 -2.199 2.478 1.00 0.00 C ATOM 0 H VAL A 187 9.453 -3.368 0.367 1.00 0.00 H new ATOM 0 HA VAL A 187 11.887 -4.305 1.447 1.00 0.00 H new ATOM 0 HB VAL A 187 9.164 -4.012 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 187 10.422 -3.533 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 187 10.734 -5.172 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 187 11.944 -3.888 3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 187 9.850 -1.686 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 187 11.323 -1.895 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.725 -1.937 1.579 1.00 0.00 H new ATOM 416 N VAL A 188 9.400 -6.510 1.524 1.00 0.00 N ATOM 417 CA VAL A 188 9.094 -7.950 1.632 1.00 0.00 C ATOM 418 C VAL A 188 10.060 -8.783 0.776 1.00 0.00 C ATOM 419 O VAL A 188 10.695 -9.718 1.266 1.00 0.00 O ATOM 420 CB VAL A 188 7.621 -8.229 1.225 1.00 0.00 C ATOM 421 CG1 VAL A 188 7.291 -9.740 1.231 1.00 0.00 C ATOM 422 CG2 VAL A 188 6.625 -7.483 2.139 1.00 0.00 C ATOM 0 H VAL A 188 8.594 -5.929 1.293 1.00 0.00 H new ATOM 0 HA VAL A 188 9.225 -8.246 2.673 1.00 0.00 H new ATOM 0 HB VAL A 188 7.514 -7.856 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 188 6.251 -9.886 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 188 7.941 -10.257 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.448 -10.143 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 188 5.605 -7.703 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.763 -7.809 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.802 -6.410 2.071 1.00 0.00 H new ATOM 432 N TRP A 189 10.179 -8.446 -0.510 1.00 0.00 N ATOM 433 CA TRP A 189 11.123 -9.142 -1.404 1.00 0.00 C ATOM 434 C TRP A 189 12.563 -9.075 -0.875 1.00 0.00 C ATOM 435 O TRP A 189 13.235 -10.098 -0.770 1.00 0.00 O ATOM 436 CB TRP A 189 11.093 -8.530 -2.825 1.00 0.00 C ATOM 437 CG TRP A 189 12.139 -9.258 -3.678 1.00 0.00 C ATOM 438 CD1 TRP A 189 12.033 -10.548 -4.228 1.00 0.00 C ATOM 439 CD2 TRP A 189 13.459 -8.848 -3.942 1.00 0.00 C ATOM 440 NE1 TRP A 189 13.209 -10.939 -4.787 1.00 0.00 N ATOM 441 CE2 TRP A 189 14.101 -9.918 -4.620 1.00 0.00 C ATOM 442 CE3 TRP A 189 14.171 -7.689 -3.633 1.00 0.00 C ATOM 443 CZ2 TRP A 189 15.448 -9.793 -4.968 1.00 0.00 C ATOM 444 CZ3 TRP A 189 15.518 -7.580 -3.985 1.00 0.00 C ATOM 445 CH2 TRP A 189 16.154 -8.630 -4.651 1.00 0.00 C ATOM 0 H TRP A 189 9.642 -7.704 -0.958 1.00 0.00 H new ATOM 0 HA TRP A 189 10.805 -10.184 -1.441 1.00 0.00 H new ATOM 0 HB2 TRP A 189 10.101 -8.637 -3.265 1.00 0.00 H new ATOM 0 HB3 TRP A 189 11.310 -7.463 -2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 189 11.136 -11.149 -4.209 1.00 0.00 H new ATOM 0 HE1 TRP A 189 13.392 -11.831 -5.247 1.00 0.00 H new ATOM 0 HE3 TRP A 189 13.680 -6.875 -3.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 189 15.946 -10.600 -5.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 189 16.068 -6.683 -3.742 1.00 0.00 H new ATOM 0 HH2 TRP A 189 17.196 -8.542 -4.922 1.00 0.00 H new ATOM 456 N LEU A 190 13.046 -7.867 -0.570 1.00 0.00 N ATOM 457 CA LEU A 190 14.434 -7.644 -0.124 1.00 0.00 C ATOM 458 C LEU A 190 14.873 -8.645 0.950 1.00 0.00 C ATOM 459 O LEU A 190 15.928 -9.268 0.838 1.00 0.00 O ATOM 460 CB LEU A 190 14.551 -6.200 0.416 1.00 0.00 C ATOM 461 CG LEU A 190 15.965 -5.824 0.918 1.00 0.00 C ATOM 462 CD1 LEU A 190 17.023 -5.926 -0.202 1.00 0.00 C ATOM 463 CD2 LEU A 190 15.964 -4.424 1.568 1.00 0.00 C ATOM 0 H LEU A 190 12.490 -7.013 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 190 15.095 -7.792 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 190 14.260 -5.505 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 190 13.841 -6.071 1.233 1.00 0.00 H new ATOM 0 HG LEU A 190 16.244 -6.550 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 190 18.001 -5.653 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 190 17.057 -6.948 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 190 16.759 -5.249 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 190 16.969 -4.182 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 190 15.644 -3.683 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 190 15.278 -4.417 2.415 1.00 0.00 H new ATOM 475 N ILE A 191 14.074 -8.801 2.005 1.00 0.00 N ATOM 476 CA ILE A 191 14.369 -9.823 3.025 1.00 0.00 C ATOM 477 C ILE A 191 14.231 -11.243 2.454 1.00 0.00 C ATOM 478 O ILE A 191 15.061 -12.104 2.751 1.00 0.00 O ATOM 479 CB ILE A 191 13.531 -9.613 4.312 1.00 0.00 C ATOM 480 CG1 ILE A 191 14.022 -8.412 5.161 1.00 0.00 C ATOM 481 CG2 ILE A 191 13.452 -10.889 5.182 1.00 0.00 C ATOM 482 CD1 ILE A 191 13.855 -7.036 4.483 1.00 0.00 C ATOM 0 H ILE A 191 13.234 -8.249 2.180 1.00 0.00 H new ATOM 0 HA ILE A 191 15.412 -9.704 3.318 1.00 0.00 H new ATOM 0 HB ILE A 191 12.525 -9.381 3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 191 13.478 -8.405 6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 191 15.075 -8.559 5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 191 12.854 -10.687 6.071 1.00 0.00 H new ATOM 0 HG22 ILE A 191 12.990 -11.692 4.608 1.00 0.00 H new ATOM 0 HG23 ILE A 191 14.457 -11.188 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 191 14.224 -6.255 5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 191 14.422 -7.018 3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 191 12.801 -6.861 4.269 1.00 0.00 H new ATOM 494 N GLY A 192 13.173 -11.512 1.676 1.00 0.00 N ATOM 495 CA GLY A 192 13.015 -12.802 0.971 1.00 0.00 C ATOM 496 C GLY A 192 13.925 -12.923 -0.264 1.00 0.00 C ATOM 497 O GLY A 192 13.477 -13.211 -1.372 1.00 0.00 O ATOM 0 H GLY A 192 12.410 -10.855 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 192 13.236 -13.617 1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 192 11.976 -12.918 0.663 1.00 0.00 H new ATOM 667 N THR A 205 2.302 -11.902 12.391 1.00 0.00 N ATOM 668 CA THR A 205 1.229 -11.769 11.390 1.00 0.00 C ATOM 669 C THR A 205 0.375 -13.043 11.296 1.00 0.00 C ATOM 670 O THR A 205 -0.846 -12.985 11.436 1.00 0.00 O ATOM 671 CB THR A 205 1.851 -11.438 10.010 1.00 0.00 C ATOM 672 OG1 THR A 205 2.649 -10.254 10.119 1.00 0.00 O ATOM 673 CG2 THR A 205 0.790 -11.212 8.914 1.00 0.00 C ATOM 0 HA THR A 205 0.570 -10.959 11.703 1.00 0.00 H new ATOM 0 HB THR A 205 2.454 -12.299 9.720 1.00 0.00 H new ATOM 0 HG1 THR A 205 3.015 -10.188 11.026 1.00 0.00 H new ATOM 0 HG21 THR A 205 1.285 -10.984 7.970 1.00 0.00 H new ATOM 0 HG22 THR A 205 0.188 -12.113 8.799 1.00 0.00 H new ATOM 0 HG23 THR A 205 0.146 -10.379 9.197 1.00 0.00 H new ATOM 681 N LEU A 206 0.998 -14.201 11.064 1.00 0.00 N ATOM 682 CA LEU A 206 0.247 -15.468 10.981 1.00 0.00 C ATOM 683 C LEU A 206 -0.476 -15.803 12.293 1.00 0.00 C ATOM 684 O LEU A 206 -1.603 -16.296 12.270 1.00 0.00 O ATOM 685 CB LEU A 206 1.120 -16.634 10.448 1.00 0.00 C ATOM 686 CG LEU A 206 2.439 -16.944 11.202 1.00 0.00 C ATOM 687 CD1 LEU A 206 2.234 -17.790 12.478 1.00 0.00 C ATOM 688 CD2 LEU A 206 3.459 -17.618 10.263 1.00 0.00 C ATOM 0 H LEU A 206 2.005 -14.294 10.931 1.00 0.00 H new ATOM 0 HA LEU A 206 -0.539 -15.323 10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 206 0.511 -17.538 10.450 1.00 0.00 H new ATOM 0 HB3 LEU A 206 1.369 -16.420 9.409 1.00 0.00 H new ATOM 0 HG LEU A 206 2.833 -15.983 11.532 1.00 0.00 H new ATOM 0 HD11 LEU A 206 3.198 -17.969 12.955 1.00 0.00 H new ATOM 0 HD12 LEU A 206 1.581 -17.255 13.168 1.00 0.00 H new ATOM 0 HD13 LEU A 206 1.778 -18.744 12.213 1.00 0.00 H new ATOM 0 HD21 LEU A 206 4.377 -17.827 10.813 1.00 0.00 H new ATOM 0 HD22 LEU A 206 3.043 -18.551 9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 206 3.679 -16.953 9.428 1.00 0.00 H new ATOM 700 N LEU A 207 0.150 -15.542 13.447 1.00 0.00 N ATOM 701 CA LEU A 207 -0.522 -15.716 14.750 1.00 0.00 C ATOM 702 C LEU A 207 -1.834 -14.921 14.801 1.00 0.00 C ATOM 703 O LEU A 207 -2.899 -15.470 15.078 1.00 0.00 O ATOM 704 CB LEU A 207 0.431 -15.251 15.877 1.00 0.00 C ATOM 705 CG LEU A 207 -0.173 -15.341 17.299 1.00 0.00 C ATOM 706 CD1 LEU A 207 -0.557 -16.787 17.680 1.00 0.00 C ATOM 707 CD2 LEU A 207 0.782 -14.724 18.342 1.00 0.00 C ATOM 0 H LEU A 207 1.113 -15.212 13.510 1.00 0.00 H new ATOM 0 HA LEU A 207 -0.765 -16.770 14.886 1.00 0.00 H new ATOM 0 HB2 LEU A 207 1.338 -15.854 15.841 1.00 0.00 H new ATOM 0 HB3 LEU A 207 0.726 -14.219 15.685 1.00 0.00 H new ATOM 0 HG LEU A 207 -1.096 -14.760 17.294 1.00 0.00 H new ATOM 0 HD11 LEU A 207 -0.976 -16.799 18.686 1.00 0.00 H new ATOM 0 HD12 LEU A 207 -1.297 -17.165 16.974 1.00 0.00 H new ATOM 0 HD13 LEU A 207 0.330 -17.419 17.649 1.00 0.00 H new ATOM 0 HD21 LEU A 207 0.335 -14.799 19.334 1.00 0.00 H new ATOM 0 HD22 LEU A 207 1.730 -15.261 18.330 1.00 0.00 H new ATOM 0 HD23 LEU A 207 0.956 -13.675 18.101 1.00 0.00 H new ATOM 719 N PHE A 208 -1.756 -13.619 14.523 1.00 0.00 N ATOM 720 CA PHE A 208 -2.932 -12.733 14.466 1.00 0.00 C ATOM 721 C PHE A 208 -4.015 -13.307 13.541 1.00 0.00 C ATOM 722 O PHE A 208 -5.179 -13.400 13.925 1.00 0.00 O ATOM 723 CB PHE A 208 -2.469 -11.349 13.943 1.00 0.00 C ATOM 724 CG PHE A 208 -3.482 -10.270 13.939 1.00 0.00 C ATOM 725 CD1 PHE A 208 -4.723 -10.409 14.574 1.00 0.00 C ATOM 726 CD2 PHE A 208 -3.167 -9.062 13.308 1.00 0.00 C ATOM 727 CE1 PHE A 208 -5.641 -9.356 14.565 1.00 0.00 C ATOM 728 CE2 PHE A 208 -4.083 -8.007 13.303 1.00 0.00 C ATOM 729 CZ PHE A 208 -5.322 -8.155 13.931 1.00 0.00 C ATOM 0 H PHE A 208 -0.875 -13.142 14.330 1.00 0.00 H new ATOM 0 HA PHE A 208 -3.365 -12.642 15.462 1.00 0.00 H new ATOM 0 HB2 PHE A 208 -1.624 -11.021 14.549 1.00 0.00 H new ATOM 0 HB3 PHE A 208 -2.101 -11.475 12.925 1.00 0.00 H new ATOM 0 HD1 PHE A 208 -4.971 -11.334 15.073 1.00 0.00 H new ATOM 0 HD2 PHE A 208 -2.210 -8.944 12.822 1.00 0.00 H new ATOM 0 HE1 PHE A 208 -6.599 -9.472 15.050 1.00 0.00 H new ATOM 0 HE2 PHE A 208 -3.833 -7.077 12.814 1.00 0.00 H new ATOM 0 HZ PHE A 208 -6.032 -7.341 13.926 1.00 0.00 H new ATOM 739 N MET A 209 -3.648 -13.693 12.316 1.00 0.00 N ATOM 740 CA MET A 209 -4.604 -14.306 11.370 1.00 0.00 C ATOM 741 C MET A 209 -5.356 -15.494 11.986 1.00 0.00 C ATOM 742 O MET A 209 -6.584 -15.544 11.949 1.00 0.00 O ATOM 743 CB MET A 209 -3.867 -14.771 10.096 1.00 0.00 C ATOM 744 CG MET A 209 -3.313 -13.599 9.262 1.00 0.00 C ATOM 745 SD MET A 209 -2.416 -14.181 7.799 1.00 0.00 S ATOM 746 CE MET A 209 -2.083 -12.593 6.997 1.00 0.00 C ATOM 0 H MET A 209 -2.701 -13.595 11.950 1.00 0.00 H new ATOM 0 HA MET A 209 -5.339 -13.541 11.120 1.00 0.00 H new ATOM 0 HB2 MET A 209 -3.046 -15.430 10.378 1.00 0.00 H new ATOM 0 HB3 MET A 209 -4.550 -15.357 9.481 1.00 0.00 H new ATOM 0 HG2 MET A 209 -4.134 -12.953 8.952 1.00 0.00 H new ATOM 0 HG3 MET A 209 -2.648 -12.995 9.880 1.00 0.00 H new ATOM 0 HE1 MET A 209 -1.213 -12.689 6.347 1.00 0.00 H new ATOM 0 HE2 MET A 209 -2.948 -12.296 6.404 1.00 0.00 H new ATOM 0 HE3 MET A 209 -1.886 -11.836 7.756 1.00 0.00 H new ATOM 756 N VAL A 210 -4.632 -16.462 12.555 1.00 0.00 N ATOM 757 CA VAL A 210 -5.264 -17.620 13.219 1.00 0.00 C ATOM 758 C VAL A 210 -6.246 -17.179 14.316 1.00 0.00 C ATOM 759 O VAL A 210 -7.369 -17.676 14.387 1.00 0.00 O ATOM 760 CB VAL A 210 -4.169 -18.554 13.795 1.00 0.00 C ATOM 761 CG1 VAL A 210 -4.760 -19.716 14.625 1.00 0.00 C ATOM 762 CG2 VAL A 210 -3.278 -19.126 12.670 1.00 0.00 C ATOM 0 H VAL A 210 -3.612 -16.473 12.573 1.00 0.00 H new ATOM 0 HA VAL A 210 -5.843 -18.168 12.476 1.00 0.00 H new ATOM 0 HB VAL A 210 -3.563 -17.939 14.461 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -3.951 -20.340 15.005 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -5.331 -19.312 15.461 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -5.416 -20.317 13.995 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -2.519 -19.777 13.103 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -3.892 -19.697 11.974 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -2.793 -18.307 12.138 1.00 0.00 H new ATOM 772 N LEU A 211 -5.824 -16.256 15.185 1.00 0.00 N ATOM 773 CA LEU A 211 -6.702 -15.705 16.237 1.00 0.00 C ATOM 774 C LEU A 211 -8.003 -15.127 15.663 1.00 0.00 C ATOM 775 O LEU A 211 -9.091 -15.402 16.170 1.00 0.00 O ATOM 776 CB LEU A 211 -5.943 -14.611 17.022 1.00 0.00 C ATOM 777 CG LEU A 211 -4.725 -15.148 17.811 1.00 0.00 C ATOM 778 CD1 LEU A 211 -3.893 -13.993 18.405 1.00 0.00 C ATOM 779 CD2 LEU A 211 -5.150 -16.137 18.919 1.00 0.00 C ATOM 0 H LEU A 211 -4.880 -15.870 15.186 1.00 0.00 H new ATOM 0 HA LEU A 211 -6.976 -16.524 16.903 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -5.605 -13.844 16.325 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.632 -14.130 17.716 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.100 -15.692 17.103 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -3.044 -14.401 18.954 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -3.531 -13.354 17.600 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -4.515 -13.407 19.082 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -4.266 -16.491 19.449 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -5.816 -15.634 19.620 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.668 -16.985 18.471 1.00 0.00 H new ATOM 791 N ASP A 212 -7.901 -14.307 14.613 1.00 0.00 N ATOM 792 CA ASP A 212 -9.085 -13.768 13.917 1.00 0.00 C ATOM 793 C ASP A 212 -10.016 -14.901 13.475 1.00 0.00 C ATOM 794 O ASP A 212 -11.185 -14.926 13.846 1.00 0.00 O ATOM 795 CB ASP A 212 -8.633 -12.945 12.680 1.00 0.00 C ATOM 796 CG ASP A 212 -9.802 -12.291 11.909 1.00 0.00 C ATOM 797 OD1 ASP A 212 -10.933 -12.254 12.399 1.00 0.00 O ATOM 798 OD2 ASP A 212 -9.557 -11.804 10.808 1.00 0.00 O ATOM 0 H ASP A 212 -7.011 -13.998 14.222 1.00 0.00 H new ATOM 0 HA ASP A 212 -9.630 -13.122 14.606 1.00 0.00 H new ATOM 0 HB2 ASP A 212 -7.943 -12.166 13.005 1.00 0.00 H new ATOM 0 HB3 ASP A 212 -8.082 -13.597 12.002 1.00 0.00 H new ATOM 803 N VAL A 213 -9.499 -15.859 12.700 1.00 0.00 N ATOM 804 CA VAL A 213 -10.307 -16.993 12.208 1.00 0.00 C ATOM 805 C VAL A 213 -11.056 -17.701 13.348 1.00 0.00 C ATOM 806 O VAL A 213 -12.277 -17.843 13.305 1.00 0.00 O ATOM 807 CB VAL A 213 -9.387 -17.993 11.454 1.00 0.00 C ATOM 808 CG1 VAL A 213 -10.132 -19.282 11.037 1.00 0.00 C ATOM 809 CG2 VAL A 213 -8.751 -17.341 10.205 1.00 0.00 C ATOM 0 H VAL A 213 -8.525 -15.877 12.397 1.00 0.00 H new ATOM 0 HA VAL A 213 -11.062 -16.604 11.525 1.00 0.00 H new ATOM 0 HB VAL A 213 -8.601 -18.268 12.157 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -9.444 -19.947 10.514 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -10.516 -19.784 11.925 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -10.961 -19.026 10.377 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -8.113 -18.067 9.700 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -9.538 -17.014 9.525 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -8.153 -16.482 10.508 1.00 0.00 H new ATOM 819 N SER A 214 -10.335 -18.143 14.381 1.00 0.00 N ATOM 820 CA SER A 214 -10.950 -18.871 15.507 1.00 0.00 C ATOM 821 C SER A 214 -12.051 -18.055 16.202 1.00 0.00 C ATOM 822 O SER A 214 -13.162 -18.545 16.405 1.00 0.00 O ATOM 823 CB SER A 214 -9.860 -19.297 16.517 1.00 0.00 C ATOM 824 OG SER A 214 -9.119 -18.159 16.970 1.00 0.00 O ATOM 0 H SER A 214 -9.327 -18.013 14.466 1.00 0.00 H new ATOM 0 HA SER A 214 -11.431 -19.760 15.100 1.00 0.00 H new ATOM 0 HB2 SER A 214 -10.321 -19.799 17.367 1.00 0.00 H new ATOM 0 HB3 SER A 214 -9.185 -20.015 16.051 1.00 0.00 H new ATOM 0 HG SER A 214 -8.503 -17.868 16.265 1.00 0.00 H new ATOM 830 N ALA A 215 -11.754 -16.804 16.568 1.00 0.00 N ATOM 831 CA ALA A 215 -12.739 -15.918 17.217 1.00 0.00 C ATOM 832 C ALA A 215 -13.987 -15.717 16.349 1.00 0.00 C ATOM 833 O ALA A 215 -15.117 -15.798 16.829 1.00 0.00 O ATOM 834 CB ALA A 215 -12.079 -14.549 17.481 1.00 0.00 C ATOM 0 H ALA A 215 -10.838 -16.377 16.428 1.00 0.00 H new ATOM 0 HA ALA A 215 -13.054 -16.385 18.150 1.00 0.00 H new ATOM 0 HB1 ALA A 215 -12.798 -13.885 17.961 1.00 0.00 H new ATOM 0 HB2 ALA A 215 -11.216 -14.681 18.133 1.00 0.00 H new ATOM 0 HB3 ALA A 215 -11.756 -14.112 16.536 1.00 0.00 H new ATOM 840 N LYS A 216 -13.779 -15.437 15.064 1.00 0.00 N ATOM 841 CA LYS A 216 -14.864 -15.232 14.089 1.00 0.00 C ATOM 842 C LYS A 216 -15.813 -16.437 14.048 1.00 0.00 C ATOM 843 O LYS A 216 -17.031 -16.285 14.133 1.00 0.00 O ATOM 844 CB LYS A 216 -14.199 -15.028 12.709 1.00 0.00 C ATOM 845 CG LYS A 216 -15.142 -14.471 11.626 1.00 0.00 C ATOM 846 CD LYS A 216 -14.404 -14.317 10.278 1.00 0.00 C ATOM 847 CE LYS A 216 -15.195 -13.495 9.242 1.00 0.00 C ATOM 848 NZ LYS A 216 -15.321 -12.107 9.715 1.00 0.00 N ATOM 0 H LYS A 216 -12.847 -15.344 14.660 1.00 0.00 H new ATOM 0 HA LYS A 216 -15.463 -14.366 14.371 1.00 0.00 H new ATOM 0 HB2 LYS A 216 -13.354 -14.349 12.823 1.00 0.00 H new ATOM 0 HB3 LYS A 216 -13.797 -15.982 12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 216 -15.996 -15.138 11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 216 -15.535 -13.505 11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 216 -13.440 -13.839 10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 216 -14.200 -15.306 9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 216 -14.687 -13.518 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 216 -16.183 -13.931 9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 -15.555 -11.487 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 -16.076 -12.050 10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 -14.421 -11.801 10.138 1.00 0.00 H new ATOM 862 N VAL A 217 -15.258 -17.645 13.907 1.00 0.00 N ATOM 863 CA VAL A 217 -16.056 -18.884 13.959 1.00 0.00 C ATOM 864 C VAL A 217 -16.851 -18.975 15.269 1.00 0.00 C ATOM 865 O VAL A 217 -18.062 -19.198 15.251 1.00 0.00 O ATOM 866 CB VAL A 217 -15.121 -20.113 13.790 1.00 0.00 C ATOM 867 CG1 VAL A 217 -15.858 -21.452 14.016 1.00 0.00 C ATOM 868 CG2 VAL A 217 -14.457 -20.119 12.396 1.00 0.00 C ATOM 0 H VAL A 217 -14.261 -17.796 13.756 1.00 0.00 H new ATOM 0 HA VAL A 217 -16.777 -18.872 13.141 1.00 0.00 H new ATOM 0 HB VAL A 217 -14.352 -20.019 14.557 1.00 0.00 H new ATOM 0 HG11 VAL A 217 -15.159 -22.278 13.886 1.00 0.00 H new ATOM 0 HG12 VAL A 217 -16.266 -21.477 15.027 1.00 0.00 H new ATOM 0 HG13 VAL A 217 -16.670 -21.547 13.295 1.00 0.00 H new ATOM 0 HG21 VAL A 217 -13.808 -20.990 12.306 1.00 0.00 H new ATOM 0 HG22 VAL A 217 -15.228 -20.159 11.626 1.00 0.00 H new ATOM 0 HG23 VAL A 217 -13.866 -19.212 12.271 1.00 0.00 H new ATOM 878 N GLY A 218 -16.181 -18.803 16.412 1.00 0.00 N ATOM 879 CA GLY A 218 -16.846 -18.829 17.729 1.00 0.00 C ATOM 880 C GLY A 218 -18.081 -17.924 17.764 1.00 0.00 C ATOM 881 O GLY A 218 -19.166 -18.349 18.156 1.00 0.00 O ATOM 0 H GLY A 218 -15.175 -18.643 16.457 1.00 0.00 H new ATOM 0 HA2 GLY A 218 -17.139 -19.852 17.968 1.00 0.00 H new ATOM 0 HA3 GLY A 218 -16.141 -18.511 18.498 1.00 0.00 H new ATOM 885 N PHE A 219 -17.919 -16.665 17.349 1.00 0.00 N ATOM 886 CA PHE A 219 -19.043 -15.716 17.239 1.00 0.00 C ATOM 887 C PHE A 219 -20.172 -16.292 16.376 1.00 0.00 C ATOM 888 O PHE A 219 -21.342 -16.225 16.750 1.00 0.00 O ATOM 889 CB PHE A 219 -18.519 -14.386 16.642 1.00 0.00 C ATOM 890 CG PHE A 219 -19.532 -13.314 16.569 1.00 0.00 C ATOM 891 CD1 PHE A 219 -20.589 -13.396 15.655 1.00 0.00 C ATOM 892 CD2 PHE A 219 -19.479 -12.248 17.471 1.00 0.00 C ATOM 893 CE1 PHE A 219 -21.589 -12.423 15.650 1.00 0.00 C ATOM 894 CE2 PHE A 219 -20.479 -11.272 17.465 1.00 0.00 C ATOM 895 CZ PHE A 219 -21.535 -11.360 16.554 1.00 0.00 C ATOM 0 H PHE A 219 -17.017 -16.272 17.081 1.00 0.00 H new ATOM 0 HA PHE A 219 -19.456 -15.534 18.231 1.00 0.00 H new ATOM 0 HB2 PHE A 219 -17.680 -14.037 17.243 1.00 0.00 H new ATOM 0 HB3 PHE A 219 -18.136 -14.577 15.640 1.00 0.00 H new ATOM 0 HD1 PHE A 219 -20.631 -14.215 14.952 1.00 0.00 H new ATOM 0 HD2 PHE A 219 -18.663 -12.178 18.175 1.00 0.00 H new ATOM 0 HE1 PHE A 219 -22.405 -12.492 14.946 1.00 0.00 H new ATOM 0 HE2 PHE A 219 -20.436 -10.450 18.164 1.00 0.00 H new ATOM 0 HZ PHE A 219 -22.309 -10.607 16.549 1.00 0.00 H new ATOM 905 N GLY A 220 -19.834 -16.839 15.206 1.00 0.00 N ATOM 906 CA GLY A 220 -20.817 -17.516 14.336 1.00 0.00 C ATOM 907 C GLY A 220 -21.684 -18.522 15.104 1.00 0.00 C ATOM 908 O GLY A 220 -22.910 -18.496 15.009 1.00 0.00 O ATOM 0 H GLY A 220 -18.885 -16.830 14.832 1.00 0.00 H new ATOM 0 HA2 GLY A 220 -21.459 -16.769 13.869 1.00 0.00 H new ATOM 0 HA3 GLY A 220 -20.292 -18.032 13.532 1.00 0.00 H new ATOM 912 N LEU A 221 -21.053 -19.423 15.862 1.00 0.00 N ATOM 913 CA LEU A 221 -21.791 -20.383 16.709 1.00 0.00 C ATOM 914 C LEU A 221 -22.700 -19.676 17.725 1.00 0.00 C ATOM 915 O LEU A 221 -23.890 -19.972 17.818 1.00 0.00 O ATOM 916 CB LEU A 221 -20.827 -21.332 17.461 1.00 0.00 C ATOM 917 CG LEU A 221 -20.219 -22.458 16.587 1.00 0.00 C ATOM 918 CD1 LEU A 221 -19.229 -21.941 15.523 1.00 0.00 C ATOM 919 CD2 LEU A 221 -19.560 -23.539 17.467 1.00 0.00 C ATOM 0 H LEU A 221 -20.038 -19.513 15.911 1.00 0.00 H new ATOM 0 HA LEU A 221 -22.415 -20.968 16.033 1.00 0.00 H new ATOM 0 HB2 LEU A 221 -20.015 -20.742 17.886 1.00 0.00 H new ATOM 0 HB3 LEU A 221 -21.362 -21.786 18.295 1.00 0.00 H new ATOM 0 HG LEU A 221 -21.051 -22.901 16.040 1.00 0.00 H new ATOM 0 HD11 LEU A 221 -18.842 -22.782 14.947 1.00 0.00 H new ATOM 0 HD12 LEU A 221 -19.742 -21.249 14.855 1.00 0.00 H new ATOM 0 HD13 LEU A 221 -18.403 -21.426 16.014 1.00 0.00 H new ATOM 0 HD21 LEU A 221 -19.140 -24.319 16.832 1.00 0.00 H new ATOM 0 HD22 LEU A 221 -18.766 -23.089 18.062 1.00 0.00 H new ATOM 0 HD23 LEU A 221 -20.308 -23.974 18.130 1.00 0.00 H new ATOM 931 N ILE A 222 -22.144 -18.739 18.500 1.00 0.00 N ATOM 932 CA ILE A 222 -22.918 -17.974 19.502 1.00 0.00 C ATOM 933 C ILE A 222 -24.200 -17.388 18.891 1.00 0.00 C ATOM 934 O ILE A 222 -25.279 -17.478 19.474 1.00 0.00 O ATOM 935 CB ILE A 222 -22.026 -16.847 20.090 1.00 0.00 C ATOM 936 CG1 ILE A 222 -20.810 -17.441 20.841 1.00 0.00 C ATOM 937 CG2 ILE A 222 -22.827 -15.891 21.008 1.00 0.00 C ATOM 938 CD1 ILE A 222 -19.772 -16.382 21.266 1.00 0.00 C ATOM 0 H ILE A 222 -21.157 -18.486 18.457 1.00 0.00 H new ATOM 0 HA ILE A 222 -23.220 -18.651 20.301 1.00 0.00 H new ATOM 0 HB ILE A 222 -21.659 -16.256 19.251 1.00 0.00 H new ATOM 0 HG12 ILE A 222 -21.163 -17.969 21.727 1.00 0.00 H new ATOM 0 HG13 ILE A 222 -20.324 -18.179 20.203 1.00 0.00 H new ATOM 0 HG21 ILE A 222 -22.163 -15.119 21.397 1.00 0.00 H new ATOM 0 HG22 ILE A 222 -23.630 -15.425 20.436 1.00 0.00 H new ATOM 0 HG23 ILE A 222 -23.253 -16.455 21.838 1.00 0.00 H new ATOM 0 HD11 ILE A 222 -18.948 -16.869 21.787 1.00 0.00 H new ATOM 0 HD12 ILE A 222 -19.391 -15.871 20.382 1.00 0.00 H new ATOM 0 HD13 ILE A 222 -20.243 -15.657 21.930 1.00 0.00 H new ATOM 950 N LEU A 223 -24.085 -16.767 17.717 1.00 0.00 N ATOM 951 CA LEU A 223 -25.262 -16.284 16.980 1.00 0.00 C ATOM 952 C LEU A 223 -26.229 -17.441 16.697 1.00 0.00 C ATOM 953 O LEU A 223 -27.358 -17.444 17.187 1.00 0.00 O ATOM 954 CB LEU A 223 -24.798 -15.634 15.652 1.00 0.00 C ATOM 955 CG LEU A 223 -25.958 -15.107 14.773 1.00 0.00 C ATOM 956 CD1 LEU A 223 -26.778 -14.011 15.487 1.00 0.00 C ATOM 957 CD2 LEU A 223 -25.436 -14.614 13.407 1.00 0.00 C ATOM 0 H LEU A 223 -23.194 -16.585 17.254 1.00 0.00 H new ATOM 0 HA LEU A 223 -25.787 -15.543 17.583 1.00 0.00 H new ATOM 0 HB2 LEU A 223 -24.123 -14.809 15.879 1.00 0.00 H new ATOM 0 HB3 LEU A 223 -24.226 -16.365 15.081 1.00 0.00 H new ATOM 0 HG LEU A 223 -26.634 -15.944 14.597 1.00 0.00 H new ATOM 0 HD11 LEU A 223 -27.580 -13.672 14.832 1.00 0.00 H new ATOM 0 HD12 LEU A 223 -27.205 -14.416 16.404 1.00 0.00 H new ATOM 0 HD13 LEU A 223 -26.128 -13.170 15.730 1.00 0.00 H new ATOM 0 HD21 LEU A 223 -26.271 -14.249 12.809 1.00 0.00 H new ATOM 0 HD22 LEU A 223 -24.720 -13.807 13.561 1.00 0.00 H new ATOM 0 HD23 LEU A 223 -24.948 -15.437 12.885 1.00 0.00 H new