USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 412 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 13 TYR OH : rot -143:sc= -0.11 USER MOD Set 1.2: A 16 LYS NZ :NH3+ -119:sc= 1.17 (180deg=-0.0286) USER MOD Single : A 12 SER OG : rot 26:sc= 0.0851 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 88:sc= 0.234 USER MOD Single : A 24 HIS : no HE2:sc= 1.31 K(o=1.3,f=-4.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.818 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 94:sc= 0.0553 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 60 THR OG1 : rot 59:sc= -0.15 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0278 X(o=-0.028,f=-0.5) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.461 1.037 1.145 1.00 54.00 N ATOM 159 CA SER A 12 13.000 2.177 0.436 1.00 13.10 C ATOM 160 C SER A 12 11.859 3.069 -0.104 1.00 40.44 C ATOM 161 O SER A 12 11.910 4.294 0.007 1.00 11.33 O ATOM 162 CB SER A 12 13.926 1.711 -0.684 1.00 21.21 C ATOM 163 OG SER A 12 14.995 0.915 -0.159 1.00 23.35 O ATOM 0 HA SER A 12 13.588 2.780 1.128 1.00 13.10 H new ATOM 0 HB2 SER A 12 13.360 1.132 -1.414 1.00 21.21 H new ATOM 0 HB3 SER A 12 14.333 2.575 -1.209 1.00 21.21 H new ATOM 0 HG SER A 12 14.709 0.494 0.679 1.00 23.35 H new ATOM 169 N TYR A 13 10.807 2.449 -0.626 1.00 45.25 N ATOM 170 CA TYR A 13 9.659 3.206 -1.082 1.00 44.00 C ATOM 171 C TYR A 13 8.782 3.647 0.065 1.00 62.04 C ATOM 172 O TYR A 13 8.198 4.717 0.017 1.00 52.41 O ATOM 173 CB TYR A 13 8.869 2.498 -2.180 1.00 54.24 C ATOM 174 CG TYR A 13 9.203 3.043 -3.547 1.00 24.12 C ATOM 175 CD1 TYR A 13 10.416 2.758 -4.155 1.00 63.11 C ATOM 176 CD2 TYR A 13 8.313 3.887 -4.209 1.00 13.43 C ATOM 177 CE1 TYR A 13 10.735 3.292 -5.384 1.00 52.11 C ATOM 178 CE2 TYR A 13 8.625 4.436 -5.437 1.00 23.43 C ATOM 179 CZ TYR A 13 9.844 4.131 -6.019 1.00 54.34 C ATOM 180 OH TYR A 13 10.179 4.672 -7.228 1.00 45.12 O ATOM 0 H TYR A 13 10.729 1.438 -0.741 1.00 45.25 H new ATOM 0 HA TYR A 13 10.057 4.109 -1.544 1.00 44.00 H new ATOM 0 HB2 TYR A 13 9.084 1.430 -2.152 1.00 54.24 H new ATOM 0 HB3 TYR A 13 7.801 2.614 -1.993 1.00 54.24 H new ATOM 0 HD1 TYR A 13 11.121 2.108 -3.658 1.00 63.11 H new ATOM 0 HD2 TYR A 13 7.361 4.116 -3.753 1.00 13.43 H new ATOM 0 HE1 TYR A 13 11.680 3.054 -5.849 1.00 52.11 H new ATOM 0 HE2 TYR A 13 7.929 5.094 -5.936 1.00 23.43 H new ATOM 0 HH TYR A 13 9.831 5.586 -7.285 1.00 45.12 H new ATOM 190 N VAL A 14 8.722 2.848 1.110 1.00 62.35 N ATOM 191 CA VAL A 14 7.975 3.224 2.305 1.00 61.12 C ATOM 192 C VAL A 14 8.623 4.451 2.958 1.00 75.02 C ATOM 193 O VAL A 14 7.948 5.396 3.333 1.00 22.20 O ATOM 194 CB VAL A 14 7.892 2.074 3.338 1.00 4.53 C ATOM 195 CG1 VAL A 14 7.169 2.548 4.587 1.00 41.52 C ATOM 196 CG2 VAL A 14 7.182 0.866 2.745 1.00 3.53 C ATOM 0 H VAL A 14 9.177 1.937 1.162 1.00 62.35 H new ATOM 0 HA VAL A 14 6.958 3.456 1.989 1.00 61.12 H new ATOM 0 HB VAL A 14 8.906 1.776 3.606 1.00 4.53 H new ATOM 0 HG11 VAL A 14 7.115 1.732 5.308 1.00 41.52 H new ATOM 0 HG12 VAL A 14 7.712 3.385 5.026 1.00 41.52 H new ATOM 0 HG13 VAL A 14 6.160 2.867 4.325 1.00 41.52 H new ATOM 0 HG21 VAL A 14 7.135 0.070 3.488 1.00 3.53 H new ATOM 0 HG22 VAL A 14 6.171 1.147 2.450 1.00 3.53 H new ATOM 0 HG23 VAL A 14 7.730 0.514 1.871 1.00 3.53 H new ATOM 206 N ASN A 15 9.939 4.422 3.060 1.00 72.52 N ATOM 207 CA ASN A 15 10.736 5.489 3.595 1.00 52.24 C ATOM 208 C ASN A 15 10.546 6.737 2.765 1.00 63.52 C ATOM 209 O ASN A 15 10.527 7.854 3.284 1.00 54.03 O ATOM 210 CB ASN A 15 12.197 5.080 3.536 1.00 50.15 C ATOM 211 CG ASN A 15 13.104 6.060 4.207 1.00 52.00 C ATOM 212 OD1 ASN A 15 13.620 6.991 3.584 1.00 44.33 O ATOM 213 ND2 ASN A 15 13.310 5.858 5.464 1.00 1.52 N ATOM 0 H ASN A 15 10.494 3.621 2.759 1.00 72.52 H new ATOM 0 HA ASN A 15 10.435 5.689 4.623 1.00 52.24 H new ATOM 0 HB2 ASN A 15 12.315 4.103 4.006 1.00 50.15 H new ATOM 0 HB3 ASN A 15 12.496 4.971 2.494 1.00 50.15 H new ATOM 0 HD21 ASN A 15 13.923 6.483 5.987 1.00 1.52 H new ATOM 0 HD22 ASN A 15 12.860 5.073 5.935 1.00 1.52 H new ATOM 220 N LYS A 16 10.419 6.530 1.476 1.00 73.21 N ATOM 221 CA LYS A 16 10.184 7.580 0.538 1.00 30.24 C ATOM 222 C LYS A 16 8.828 8.222 0.826 1.00 62.03 C ATOM 223 O LYS A 16 8.712 9.439 0.856 1.00 34.20 O ATOM 224 CB LYS A 16 10.239 7.001 -0.856 1.00 61.32 C ATOM 225 CG LYS A 16 10.194 8.001 -1.954 1.00 73.42 C ATOM 226 CD LYS A 16 10.401 7.308 -3.270 1.00 1.11 C ATOM 227 CE LYS A 16 10.633 8.304 -4.373 1.00 4.34 C ATOM 228 NZ LYS A 16 10.962 7.653 -5.650 1.00 3.34 N ATOM 0 H LYS A 16 10.479 5.605 1.050 1.00 73.21 H new ATOM 0 HA LYS A 16 10.946 8.355 0.624 1.00 30.24 H new ATOM 0 HB2 LYS A 16 11.154 6.417 -0.955 1.00 61.32 H new ATOM 0 HB3 LYS A 16 9.405 6.310 -0.979 1.00 61.32 H new ATOM 0 HG2 LYS A 16 9.235 8.518 -1.950 1.00 73.42 H new ATOM 0 HG3 LYS A 16 10.965 8.757 -1.804 1.00 73.42 H new ATOM 0 HD2 LYS A 16 11.254 6.633 -3.199 1.00 1.11 H new ATOM 0 HD3 LYS A 16 9.529 6.697 -3.504 1.00 1.11 H new ATOM 0 HE2 LYS A 16 9.741 8.918 -4.499 1.00 4.34 H new ATOM 0 HE3 LYS A 16 11.444 8.975 -4.090 1.00 4.34 H new ATOM 0 HZ1 LYS A 16 11.909 7.953 -5.959 1.00 3.34 H new ATOM 0 HZ2 LYS A 16 10.949 6.620 -5.527 1.00 3.34 H new ATOM 0 HZ3 LYS A 16 10.261 7.925 -6.369 1.00 3.34 H new ATOM 242 N ILE A 17 7.822 7.386 1.079 1.00 23.11 N ATOM 243 CA ILE A 17 6.503 7.837 1.471 1.00 14.41 C ATOM 244 C ILE A 17 6.613 8.641 2.768 1.00 1.24 C ATOM 245 O ILE A 17 6.097 9.757 2.866 1.00 60.02 O ATOM 246 CB ILE A 17 5.559 6.625 1.708 1.00 65.31 C ATOM 247 CG1 ILE A 17 5.318 5.842 0.410 1.00 31.20 C ATOM 248 CG2 ILE A 17 4.253 7.069 2.320 1.00 63.31 C ATOM 249 CD1 ILE A 17 4.478 4.588 0.595 1.00 1.34 C ATOM 0 H ILE A 17 7.908 6.372 1.015 1.00 23.11 H new ATOM 0 HA ILE A 17 6.092 8.456 0.673 1.00 14.41 H new ATOM 0 HB ILE A 17 6.052 5.955 2.412 1.00 65.31 H new ATOM 0 HG12 ILE A 17 4.825 6.495 -0.311 1.00 31.20 H new ATOM 0 HG13 ILE A 17 6.281 5.563 -0.019 1.00 31.20 H new ATOM 0 HG21 ILE A 17 3.611 6.202 2.476 1.00 63.31 H new ATOM 0 HG22 ILE A 17 4.446 7.554 3.277 1.00 63.31 H new ATOM 0 HG23 ILE A 17 3.758 7.772 1.650 1.00 63.31 H new ATOM 0 HD11 ILE A 17 4.352 4.090 -0.366 1.00 1.34 H new ATOM 0 HD12 ILE A 17 4.979 3.914 1.290 1.00 1.34 H new ATOM 0 HD13 ILE A 17 3.501 4.860 0.994 1.00 1.34 H new ATOM 261 N LYS A 18 7.334 8.072 3.737 1.00 43.43 N ATOM 262 CA LYS A 18 7.549 8.697 5.036 1.00 64.42 C ATOM 263 C LYS A 18 8.133 10.092 4.876 1.00 21.12 C ATOM 264 O LYS A 18 7.708 11.001 5.512 1.00 32.42 O ATOM 265 CB LYS A 18 8.522 7.889 5.905 1.00 4.31 C ATOM 266 CG LYS A 18 8.078 6.532 6.282 1.00 23.41 C ATOM 267 CD LYS A 18 9.095 5.891 7.180 1.00 24.23 C ATOM 268 CE LYS A 18 8.723 4.481 7.459 1.00 52.54 C ATOM 269 NZ LYS A 18 9.657 3.828 8.378 1.00 41.04 N ATOM 0 H LYS A 18 7.785 7.162 3.639 1.00 43.43 H new ATOM 0 HA LYS A 18 6.573 8.740 5.518 1.00 64.42 H new ATOM 0 HB2 LYS A 18 9.470 7.805 5.373 1.00 4.31 H new ATOM 0 HB3 LYS A 18 8.717 8.453 6.817 1.00 4.31 H new ATOM 0 HG2 LYS A 18 7.114 6.583 6.789 1.00 23.41 H new ATOM 0 HG3 LYS A 18 7.936 5.925 5.388 1.00 23.41 H new ATOM 0 HD2 LYS A 18 10.078 5.928 6.711 1.00 24.23 H new ATOM 0 HD3 LYS A 18 9.166 6.447 8.115 1.00 24.23 H new ATOM 0 HE2 LYS A 18 7.719 4.450 7.883 1.00 52.54 H new ATOM 0 HE3 LYS A 18 8.691 3.925 6.522 1.00 52.54 H new ATOM 0 HZ1 LYS A 18 9.354 2.846 8.541 1.00 41.04 H new ATOM 0 HZ2 LYS A 18 10.611 3.832 7.964 1.00 41.04 H new ATOM 0 HZ3 LYS A 18 9.670 4.341 9.283 1.00 41.04 H new ATOM 283 N THR A 19 9.108 10.201 4.002 1.00 33.05 N ATOM 284 CA THR A 19 9.842 11.406 3.702 1.00 41.24 C ATOM 285 C THR A 19 8.984 12.434 2.940 1.00 22.01 C ATOM 286 O THR A 19 8.990 13.627 3.247 1.00 12.34 O ATOM 287 CB THR A 19 11.049 10.957 2.850 1.00 24.22 C ATOM 288 OG1 THR A 19 12.084 10.370 3.650 1.00 55.22 O ATOM 289 CG2 THR A 19 11.562 12.009 1.894 1.00 51.11 C ATOM 0 H THR A 19 9.427 9.404 3.451 1.00 33.05 H new ATOM 0 HA THR A 19 10.153 11.908 4.619 1.00 41.24 H new ATOM 0 HB THR A 19 10.668 10.170 2.200 1.00 24.22 H new ATOM 0 HG1 THR A 19 11.918 9.409 3.745 1.00 55.22 H new ATOM 0 HG21 THR A 19 12.409 11.611 1.336 1.00 51.11 H new ATOM 0 HG22 THR A 19 10.769 12.288 1.200 1.00 51.11 H new ATOM 0 HG23 THR A 19 11.878 12.888 2.456 1.00 51.11 H new ATOM 297 N ARG A 20 8.256 11.966 1.973 1.00 2.44 N ATOM 298 CA ARG A 20 7.445 12.819 1.139 1.00 14.34 C ATOM 299 C ARG A 20 6.322 13.454 1.899 1.00 62.01 C ATOM 300 O ARG A 20 5.855 14.533 1.553 1.00 3.52 O ATOM 301 CB ARG A 20 6.935 12.028 -0.042 1.00 34.44 C ATOM 302 CG ARG A 20 7.940 11.942 -1.168 1.00 14.41 C ATOM 303 CD ARG A 20 8.075 13.285 -1.866 1.00 33.22 C ATOM 304 NE ARG A 20 8.962 13.220 -3.021 1.00 0.14 N ATOM 305 CZ ARG A 20 8.935 14.072 -4.051 1.00 21.02 C ATOM 306 NH1 ARG A 20 8.061 15.079 -4.066 1.00 63.43 N ATOM 307 NH2 ARG A 20 9.786 13.920 -5.060 1.00 3.34 N ATOM 0 H ARG A 20 8.203 10.976 1.733 1.00 2.44 H new ATOM 0 HA ARG A 20 8.068 13.638 0.779 1.00 14.34 H new ATOM 0 HB2 ARG A 20 6.676 11.021 0.285 1.00 34.44 H new ATOM 0 HB3 ARG A 20 6.019 12.488 -0.413 1.00 34.44 H new ATOM 0 HG2 ARG A 20 8.908 11.631 -0.776 1.00 14.41 H new ATOM 0 HG3 ARG A 20 7.627 11.183 -1.885 1.00 14.41 H new ATOM 0 HD2 ARG A 20 7.090 13.627 -2.185 1.00 33.22 H new ATOM 0 HD3 ARG A 20 8.455 14.023 -1.159 1.00 33.22 H new ATOM 0 HE ARG A 20 9.653 12.470 -3.045 1.00 0.14 H new ATOM 0 HH11 ARG A 20 7.410 15.201 -3.290 1.00 63.43 H new ATOM 0 HH12 ARG A 20 8.043 15.727 -4.853 1.00 63.43 H new ATOM 0 HH21 ARG A 20 10.459 13.154 -5.048 1.00 3.34 H new ATOM 0 HH22 ARG A 20 9.766 14.570 -5.846 1.00 3.34 H new ATOM 321 N PHE A 21 5.912 12.804 2.928 1.00 53.34 N ATOM 322 CA PHE A 21 4.829 13.257 3.736 1.00 33.25 C ATOM 323 C PHE A 21 5.314 13.284 5.173 1.00 61.34 C ATOM 324 O PHE A 21 4.565 13.064 6.112 1.00 75.22 O ATOM 325 CB PHE A 21 3.651 12.305 3.537 1.00 51.21 C ATOM 326 CG PHE A 21 3.285 12.143 2.073 1.00 60.51 C ATOM 327 CD1 PHE A 21 2.536 13.100 1.420 1.00 14.41 C ATOM 328 CD2 PHE A 21 3.714 11.039 1.351 1.00 3.31 C ATOM 329 CE1 PHE A 21 2.217 12.963 0.087 1.00 1.23 C ATOM 330 CE2 PHE A 21 3.401 10.897 0.022 1.00 12.13 C ATOM 331 CZ PHE A 21 2.649 11.860 -0.615 1.00 44.23 C ATOM 0 H PHE A 21 6.325 11.925 3.241 1.00 53.34 H new ATOM 0 HA PHE A 21 4.494 14.258 3.465 1.00 33.25 H new ATOM 0 HB2 PHE A 21 3.899 11.330 3.958 1.00 51.21 H new ATOM 0 HB3 PHE A 21 2.787 12.679 4.086 1.00 51.21 H new ATOM 0 HD1 PHE A 21 2.195 13.970 1.962 1.00 14.41 H new ATOM 0 HD2 PHE A 21 4.304 10.279 1.842 1.00 3.31 H new ATOM 0 HE1 PHE A 21 1.628 13.721 -0.408 1.00 1.23 H new ATOM 0 HE2 PHE A 21 3.744 10.031 -0.524 1.00 12.13 H new ATOM 0 HZ PHE A 21 2.400 11.750 -1.660 1.00 44.23 H new ATOM 341 N LEU A 22 6.579 13.636 5.313 1.00 10.32 N ATOM 342 CA LEU A 22 7.301 13.627 6.567 1.00 42.34 C ATOM 343 C LEU A 22 6.685 14.590 7.565 1.00 71.41 C ATOM 344 O LEU A 22 6.641 14.318 8.764 1.00 10.41 O ATOM 345 CB LEU A 22 8.779 13.966 6.298 1.00 20.30 C ATOM 346 CG LEU A 22 9.829 13.037 6.864 1.00 73.11 C ATOM 347 CD1 LEU A 22 11.214 13.522 6.511 1.00 10.21 C ATOM 348 CD2 LEU A 22 9.684 12.926 8.326 1.00 21.24 C ATOM 0 H LEU A 22 7.150 13.947 4.527 1.00 10.32 H new ATOM 0 HA LEU A 22 7.238 12.633 7.010 1.00 42.34 H new ATOM 0 HB2 LEU A 22 8.921 14.014 5.218 1.00 20.30 H new ATOM 0 HB3 LEU A 22 8.970 14.965 6.689 1.00 20.30 H new ATOM 0 HG LEU A 22 9.686 12.050 6.424 1.00 73.11 H new ATOM 0 HD11 LEU A 22 11.955 12.840 6.927 1.00 10.21 H new ATOM 0 HD12 LEU A 22 11.322 13.557 5.427 1.00 10.21 H new ATOM 0 HD13 LEU A 22 11.366 14.519 6.923 1.00 10.21 H new ATOM 0 HD21 LEU A 22 10.447 12.254 8.717 1.00 21.24 H new ATOM 0 HD22 LEU A 22 9.801 13.911 8.779 1.00 21.24 H new ATOM 0 HD23 LEU A 22 8.696 12.532 8.565 1.00 21.24 H new ATOM 360 N ASP A 23 6.165 15.678 7.071 1.00 64.21 N ATOM 361 CA ASP A 23 5.559 16.684 7.930 1.00 63.24 C ATOM 362 C ASP A 23 4.044 16.451 8.058 1.00 23.31 C ATOM 363 O ASP A 23 3.324 17.204 8.705 1.00 3.53 O ATOM 364 CB ASP A 23 5.893 18.094 7.417 1.00 64.00 C ATOM 365 CG ASP A 23 5.413 19.214 8.322 1.00 61.32 C ATOM 366 OD1 ASP A 23 5.744 19.218 9.530 1.00 65.13 O ATOM 367 OD2 ASP A 23 4.749 20.141 7.835 1.00 35.11 O ATOM 0 H ASP A 23 6.143 15.901 6.076 1.00 64.21 H new ATOM 0 HA ASP A 23 5.978 16.595 8.932 1.00 63.24 H new ATOM 0 HB2 ASP A 23 6.973 18.178 7.295 1.00 64.00 H new ATOM 0 HB3 ASP A 23 5.450 18.224 6.430 1.00 64.00 H new ATOM 372 N HIS A 24 3.572 15.376 7.474 1.00 3.02 N ATOM 373 CA HIS A 24 2.168 15.010 7.554 1.00 12.33 C ATOM 374 C HIS A 24 1.998 13.523 7.846 1.00 44.35 C ATOM 375 O HIS A 24 1.698 12.734 6.936 1.00 71.11 O ATOM 376 CB HIS A 24 1.391 15.377 6.283 1.00 70.25 C ATOM 377 CG HIS A 24 1.013 16.791 6.127 1.00 22.14 C ATOM 378 ND1 HIS A 24 -0.065 17.408 6.747 1.00 73.44 N ATOM 379 CD2 HIS A 24 1.571 17.693 5.371 1.00 2.34 C ATOM 380 CE1 HIS A 24 -0.103 18.671 6.335 1.00 64.02 C ATOM 381 NE2 HIS A 24 0.884 18.906 5.485 1.00 44.10 N ATOM 0 H HIS A 24 4.143 14.729 6.931 1.00 3.02 H new ATOM 0 HA HIS A 24 1.752 15.588 8.380 1.00 12.33 H new ATOM 0 HB2 HIS A 24 1.992 15.088 5.421 1.00 70.25 H new ATOM 0 HB3 HIS A 24 0.482 14.776 6.254 1.00 70.25 H new ATOM 0 HD1 HIS A 24 -0.713 16.970 7.402 1.00 73.44 H new ATOM 0 HD2 HIS A 24 2.437 17.528 4.747 1.00 2.34 H new ATOM 0 HE1 HIS A 24 -0.834 19.401 6.649 1.00 64.02 H new ATOM 389 N PRO A 25 2.192 13.101 9.125 1.00 74.43 N ATOM 390 CA PRO A 25 2.047 11.687 9.535 1.00 1.52 C ATOM 391 C PRO A 25 0.661 11.139 9.196 1.00 73.52 C ATOM 392 O PRO A 25 0.485 9.948 8.977 1.00 3.43 O ATOM 393 CB PRO A 25 2.228 11.726 11.056 1.00 2.43 C ATOM 394 CG PRO A 25 2.981 12.979 11.330 1.00 32.04 C ATOM 395 CD PRO A 25 2.596 13.958 10.257 1.00 41.33 C ATOM 0 HA PRO A 25 2.762 11.042 9.024 1.00 1.52 H new ATOM 0 HB2 PRO A 25 1.265 11.726 11.567 1.00 2.43 H new ATOM 0 HB3 PRO A 25 2.776 10.853 11.409 1.00 2.43 H new ATOM 0 HG2 PRO A 25 2.735 13.370 12.317 1.00 32.04 H new ATOM 0 HG3 PRO A 25 4.055 12.795 11.319 1.00 32.04 H new ATOM 0 HD2 PRO A 25 1.780 14.605 10.580 1.00 41.33 H new ATOM 0 HD3 PRO A 25 3.430 14.607 9.990 1.00 41.33 H new ATOM 403 N GLU A 26 -0.301 12.045 9.123 1.00 71.35 N ATOM 404 CA GLU A 26 -1.688 11.755 8.798 1.00 14.11 C ATOM 405 C GLU A 26 -1.815 11.005 7.451 1.00 52.03 C ATOM 406 O GLU A 26 -2.595 10.080 7.326 1.00 53.32 O ATOM 407 CB GLU A 26 -2.456 13.077 8.740 1.00 12.51 C ATOM 408 CG GLU A 26 -1.946 14.007 7.661 1.00 12.13 C ATOM 409 CD GLU A 26 -2.622 15.328 7.627 1.00 14.43 C ATOM 410 OE1 GLU A 26 -3.676 15.447 7.004 1.00 20.42 O ATOM 411 OE2 GLU A 26 -2.096 16.287 8.205 1.00 40.15 O ATOM 0 H GLU A 26 -0.132 13.036 9.294 1.00 71.35 H new ATOM 0 HA GLU A 26 -2.104 11.105 9.568 1.00 14.11 H new ATOM 0 HB2 GLU A 26 -3.512 12.871 8.565 1.00 12.51 H new ATOM 0 HB3 GLU A 26 -2.384 13.576 9.706 1.00 12.51 H new ATOM 0 HG2 GLU A 26 -0.877 14.162 7.806 1.00 12.13 H new ATOM 0 HG3 GLU A 26 -2.069 13.523 6.692 1.00 12.13 H new ATOM 418 N ILE A 27 -0.993 11.391 6.485 1.00 3.41 N ATOM 419 CA ILE A 27 -1.014 10.833 5.145 1.00 65.44 C ATOM 420 C ILE A 27 -0.457 9.430 5.175 1.00 24.40 C ATOM 421 O ILE A 27 -1.011 8.513 4.576 1.00 41.33 O ATOM 422 CB ILE A 27 -0.188 11.742 4.202 1.00 71.32 C ATOM 423 CG1 ILE A 27 -0.836 13.133 4.192 1.00 15.21 C ATOM 424 CG2 ILE A 27 -0.092 11.161 2.788 1.00 55.44 C ATOM 425 CD1 ILE A 27 -0.193 14.122 3.270 1.00 74.40 C ATOM 0 H ILE A 27 -0.283 12.112 6.615 1.00 3.41 H new ATOM 0 HA ILE A 27 -2.037 10.786 4.772 1.00 65.44 H new ATOM 0 HB ILE A 27 0.836 11.811 4.570 1.00 71.32 H new ATOM 0 HG12 ILE A 27 -1.885 13.027 3.914 1.00 15.21 H new ATOM 0 HG13 ILE A 27 -0.814 13.535 5.205 1.00 15.21 H new ATOM 0 HG21 ILE A 27 0.496 11.830 2.159 1.00 55.44 H new ATOM 0 HG22 ILE A 27 0.390 10.184 2.828 1.00 55.44 H new ATOM 0 HG23 ILE A 27 -1.093 11.055 2.369 1.00 55.44 H new ATOM 0 HD11 ILE A 27 -0.720 15.074 3.333 1.00 74.40 H new ATOM 0 HD12 ILE A 27 0.849 14.264 3.558 1.00 74.40 H new ATOM 0 HD13 ILE A 27 -0.238 13.749 2.247 1.00 74.40 H new ATOM 437 N TYR A 28 0.596 9.267 5.943 1.00 60.24 N ATOM 438 CA TYR A 28 1.235 7.984 6.126 1.00 51.42 C ATOM 439 C TYR A 28 0.242 7.045 6.809 1.00 13.23 C ATOM 440 O TYR A 28 -0.022 5.940 6.345 1.00 14.40 O ATOM 441 CB TYR A 28 2.464 8.164 7.024 1.00 35.00 C ATOM 442 CG TYR A 28 3.340 6.943 7.142 1.00 4.51 C ATOM 443 CD1 TYR A 28 4.192 6.574 6.111 1.00 15.32 C ATOM 444 CD2 TYR A 28 3.303 6.150 8.276 1.00 32.44 C ATOM 445 CE1 TYR A 28 4.974 5.445 6.210 1.00 43.44 C ATOM 446 CE2 TYR A 28 4.082 5.023 8.383 1.00 71.24 C ATOM 447 CZ TYR A 28 4.913 4.671 7.352 1.00 61.24 C ATOM 448 OH TYR A 28 5.689 3.538 7.461 1.00 2.02 O ATOM 0 H TYR A 28 1.036 10.027 6.462 1.00 60.24 H new ATOM 0 HA TYR A 28 1.543 7.570 5.166 1.00 51.42 H new ATOM 0 HB2 TYR A 28 3.063 8.988 6.637 1.00 35.00 H new ATOM 0 HB3 TYR A 28 2.130 8.453 8.021 1.00 35.00 H new ATOM 0 HD1 TYR A 28 4.243 7.180 5.219 1.00 15.32 H new ATOM 0 HD2 TYR A 28 2.650 6.422 9.092 1.00 32.44 H new ATOM 0 HE1 TYR A 28 5.631 5.166 5.399 1.00 43.44 H new ATOM 0 HE2 TYR A 28 4.039 4.417 9.276 1.00 71.24 H new ATOM 0 HH TYR A 28 5.525 3.112 8.328 1.00 2.02 H new ATOM 458 N ARG A 29 -0.342 7.545 7.881 1.00 33.12 N ATOM 459 CA ARG A 29 -1.269 6.805 8.705 1.00 74.10 C ATOM 460 C ARG A 29 -2.552 6.433 7.987 1.00 72.13 C ATOM 461 O ARG A 29 -3.020 5.300 8.113 1.00 63.13 O ATOM 462 CB ARG A 29 -1.571 7.572 9.965 1.00 32.40 C ATOM 463 CG ARG A 29 -0.431 7.552 10.941 1.00 65.33 C ATOM 464 CD ARG A 29 -0.596 8.624 11.966 1.00 23.14 C ATOM 465 NE ARG A 29 0.395 8.506 13.037 1.00 61.22 N ATOM 466 CZ ARG A 29 0.583 9.395 14.015 1.00 63.43 C ATOM 467 NH1 ARG A 29 -0.066 10.548 14.008 1.00 51.31 N ATOM 468 NH2 ARG A 29 1.448 9.141 14.984 1.00 22.22 N ATOM 0 H ARG A 29 -0.180 8.498 8.207 1.00 33.12 H new ATOM 0 HA ARG A 29 -0.779 5.864 8.956 1.00 74.10 H new ATOM 0 HB2 ARG A 29 -1.807 8.605 9.709 1.00 32.40 H new ATOM 0 HB3 ARG A 29 -2.457 7.150 10.439 1.00 32.40 H new ATOM 0 HG2 ARG A 29 -0.381 6.579 11.430 1.00 65.33 H new ATOM 0 HG3 ARG A 29 0.511 7.691 10.411 1.00 65.33 H new ATOM 0 HD2 ARG A 29 -0.503 9.600 11.490 1.00 23.14 H new ATOM 0 HD3 ARG A 29 -1.599 8.571 12.390 1.00 23.14 H new ATOM 0 HE ARG A 29 0.990 7.678 13.036 1.00 61.22 H new ATOM 0 HH11 ARG A 29 -0.716 10.763 13.252 1.00 51.31 H new ATOM 0 HH12 ARG A 29 0.083 11.222 14.759 1.00 51.31 H new ATOM 0 HH21 ARG A 29 1.971 8.266 14.984 1.00 22.22 H new ATOM 0 HH22 ARG A 29 1.591 9.821 15.731 1.00 22.22 H new ATOM 482 N SER A 30 -3.109 7.374 7.236 1.00 51.23 N ATOM 483 CA SER A 30 -4.329 7.137 6.495 1.00 61.13 C ATOM 484 C SER A 30 -4.097 6.073 5.425 1.00 42.00 C ATOM 485 O SER A 30 -4.990 5.322 5.081 1.00 75.10 O ATOM 486 CB SER A 30 -4.853 8.446 5.880 1.00 13.01 C ATOM 487 OG SER A 30 -6.091 8.256 5.212 1.00 10.43 O ATOM 0 H SER A 30 -2.728 8.314 7.127 1.00 51.23 H new ATOM 0 HA SER A 30 -5.091 6.767 7.181 1.00 61.13 H new ATOM 0 HB2 SER A 30 -4.974 9.193 6.664 1.00 13.01 H new ATOM 0 HB3 SER A 30 -4.117 8.838 5.178 1.00 13.01 H new ATOM 0 HG SER A 30 -6.394 9.109 4.835 1.00 10.43 H new ATOM 493 N PHE A 31 -2.896 6.016 4.912 1.00 53.15 N ATOM 494 CA PHE A 31 -2.539 4.996 3.970 1.00 3.31 C ATOM 495 C PHE A 31 -2.351 3.632 4.641 1.00 24.31 C ATOM 496 O PHE A 31 -2.732 2.595 4.080 1.00 75.21 O ATOM 497 CB PHE A 31 -1.319 5.417 3.173 1.00 10.23 C ATOM 498 CG PHE A 31 -0.586 4.266 2.582 1.00 20.51 C ATOM 499 CD1 PHE A 31 -1.063 3.637 1.457 1.00 32.31 C ATOM 500 CD2 PHE A 31 0.565 3.792 3.185 1.00 55.51 C ATOM 501 CE1 PHE A 31 -0.412 2.556 0.930 1.00 3.33 C ATOM 502 CE2 PHE A 31 1.233 2.709 2.665 1.00 31.11 C ATOM 503 CZ PHE A 31 0.746 2.086 1.529 1.00 50.21 C ATOM 0 H PHE A 31 -2.146 6.670 5.135 1.00 53.15 H new ATOM 0 HA PHE A 31 -3.368 4.875 3.273 1.00 3.31 H new ATOM 0 HB2 PHE A 31 -1.628 6.092 2.375 1.00 10.23 H new ATOM 0 HB3 PHE A 31 -0.644 5.977 3.821 1.00 10.23 H new ATOM 0 HD1 PHE A 31 -1.963 4.001 0.983 1.00 32.31 H new ATOM 0 HD2 PHE A 31 0.942 4.277 4.073 1.00 55.51 H new ATOM 0 HE1 PHE A 31 -0.800 2.069 0.048 1.00 3.33 H new ATOM 0 HE2 PHE A 31 2.133 2.346 3.140 1.00 31.11 H new ATOM 0 HZ PHE A 31 1.266 1.237 1.111 1.00 50.21 H new ATOM 513 N LEU A 32 -1.773 3.637 5.831 1.00 51.53 N ATOM 514 CA LEU A 32 -1.540 2.420 6.616 1.00 22.32 C ATOM 515 C LEU A 32 -2.832 1.650 6.832 1.00 42.14 C ATOM 516 O LEU A 32 -2.825 0.421 6.949 1.00 73.42 O ATOM 517 CB LEU A 32 -0.916 2.780 7.953 1.00 2.20 C ATOM 518 CG LEU A 32 0.479 3.368 7.917 1.00 74.04 C ATOM 519 CD1 LEU A 32 0.925 3.677 9.320 1.00 34.23 C ATOM 520 CD2 LEU A 32 1.461 2.422 7.230 1.00 22.02 C ATOM 0 H LEU A 32 -1.447 4.488 6.289 1.00 51.53 H new ATOM 0 HA LEU A 32 -0.856 1.780 6.059 1.00 22.32 H new ATOM 0 HB2 LEU A 32 -1.572 3.492 8.454 1.00 2.20 H new ATOM 0 HB3 LEU A 32 -0.891 1.881 8.569 1.00 2.20 H new ATOM 0 HG LEU A 32 0.458 4.290 7.335 1.00 74.04 H new ATOM 0 HD11 LEU A 32 1.929 4.101 9.298 1.00 34.23 H new ATOM 0 HD12 LEU A 32 0.239 4.394 9.770 1.00 34.23 H new ATOM 0 HD13 LEU A 32 0.931 2.761 9.910 1.00 34.23 H new ATOM 0 HD21 LEU A 32 2.454 2.872 7.220 1.00 22.02 H new ATOM 0 HD22 LEU A 32 1.497 1.477 7.773 1.00 22.02 H new ATOM 0 HD23 LEU A 32 1.135 2.240 6.206 1.00 22.02 H new ATOM 532 N GLU A 33 -3.928 2.390 6.858 1.00 3.34 N ATOM 533 CA GLU A 33 -5.269 1.848 6.975 1.00 31.12 C ATOM 534 C GLU A 33 -5.499 0.837 5.885 1.00 54.34 C ATOM 535 O GLU A 33 -5.907 -0.289 6.148 1.00 74.04 O ATOM 536 CB GLU A 33 -6.279 2.958 6.777 1.00 43.24 C ATOM 537 CG GLU A 33 -6.112 4.133 7.682 1.00 65.43 C ATOM 538 CD GLU A 33 -6.296 3.799 9.145 1.00 3.32 C ATOM 539 OE1 GLU A 33 -5.357 3.306 9.805 1.00 52.32 O ATOM 540 OE2 GLU A 33 -7.392 4.038 9.664 1.00 33.30 O ATOM 0 H GLU A 33 -3.908 3.408 6.797 1.00 3.34 H new ATOM 0 HA GLU A 33 -5.378 1.391 7.959 1.00 31.12 H new ATOM 0 HB2 GLU A 33 -6.220 3.303 5.745 1.00 43.24 H new ATOM 0 HB3 GLU A 33 -7.279 2.548 6.919 1.00 43.24 H new ATOM 0 HG2 GLU A 33 -5.118 4.555 7.536 1.00 65.43 H new ATOM 0 HG3 GLU A 33 -6.830 4.903 7.400 1.00 65.43 H new ATOM 547 N ILE A 34 -5.169 1.244 4.670 1.00 1.43 N ATOM 548 CA ILE A 34 -5.378 0.467 3.511 1.00 54.31 C ATOM 549 C ILE A 34 -4.575 -0.814 3.544 1.00 43.41 C ATOM 550 O ILE A 34 -5.107 -1.860 3.284 1.00 54.02 O ATOM 551 CB ILE A 34 -5.077 1.268 2.224 1.00 60.54 C ATOM 552 CG1 ILE A 34 -6.053 2.414 2.074 1.00 71.21 C ATOM 553 CG2 ILE A 34 -5.138 0.390 1.014 1.00 54.32 C ATOM 554 CD1 ILE A 34 -5.495 3.760 2.439 1.00 64.12 C ATOM 0 H ILE A 34 -4.739 2.150 4.483 1.00 1.43 H new ATOM 0 HA ILE A 34 -6.434 0.199 3.498 1.00 54.31 H new ATOM 0 HB ILE A 34 -4.066 1.667 2.310 1.00 60.54 H new ATOM 0 HG12 ILE A 34 -6.400 2.446 1.041 1.00 71.21 H new ATOM 0 HG13 ILE A 34 -6.925 2.215 2.697 1.00 71.21 H new ATOM 0 HG21 ILE A 34 -4.922 0.981 0.124 1.00 54.32 H new ATOM 0 HG22 ILE A 34 -4.402 -0.409 1.106 1.00 54.32 H new ATOM 0 HG23 ILE A 34 -6.135 -0.043 0.929 1.00 54.32 H new ATOM 0 HD11 ILE A 34 -6.263 4.522 2.301 1.00 64.12 H new ATOM 0 HD12 ILE A 34 -5.175 3.751 3.481 1.00 64.12 H new ATOM 0 HD13 ILE A 34 -4.642 3.986 1.800 1.00 64.12 H new ATOM 566 N LEU A 35 -3.314 -0.733 3.904 1.00 61.01 N ATOM 567 CA LEU A 35 -2.474 -1.923 3.932 1.00 55.11 C ATOM 568 C LEU A 35 -2.843 -2.887 5.042 1.00 20.23 C ATOM 569 O LEU A 35 -2.747 -4.105 4.859 1.00 65.52 O ATOM 570 CB LEU A 35 -0.983 -1.584 3.902 1.00 14.14 C ATOM 571 CG LEU A 35 -0.289 -1.754 2.529 1.00 64.43 C ATOM 572 CD1 LEU A 35 -0.159 -3.232 2.181 1.00 25.32 C ATOM 573 CD2 LEU A 35 -1.072 -1.045 1.429 1.00 24.34 C ATOM 0 H LEU A 35 -2.846 0.130 4.180 1.00 61.01 H new ATOM 0 HA LEU A 35 -2.681 -2.460 3.006 1.00 55.11 H new ATOM 0 HB2 LEU A 35 -0.856 -0.552 4.228 1.00 14.14 H new ATOM 0 HB3 LEU A 35 -0.470 -2.214 4.629 1.00 14.14 H new ATOM 0 HG LEU A 35 0.703 -1.307 2.600 1.00 64.43 H new ATOM 0 HD11 LEU A 35 0.331 -3.336 1.213 1.00 25.32 H new ATOM 0 HD12 LEU A 35 0.435 -3.735 2.944 1.00 25.32 H new ATOM 0 HD13 LEU A 35 -1.150 -3.684 2.137 1.00 25.32 H new ATOM 0 HD21 LEU A 35 -0.563 -1.180 0.475 1.00 24.34 H new ATOM 0 HD22 LEU A 35 -2.076 -1.466 1.368 1.00 24.34 H new ATOM 0 HD23 LEU A 35 -1.138 0.019 1.657 1.00 24.34 H new ATOM 585 N HIS A 36 -3.300 -2.357 6.167 1.00 62.31 N ATOM 586 CA HIS A 36 -3.778 -3.202 7.254 1.00 51.31 C ATOM 587 C HIS A 36 -5.039 -3.922 6.775 1.00 70.13 C ATOM 588 O HIS A 36 -5.169 -5.145 6.875 1.00 73.44 O ATOM 589 CB HIS A 36 -4.091 -2.338 8.484 1.00 42.01 C ATOM 590 CG HIS A 36 -4.567 -3.108 9.675 1.00 32.02 C ATOM 591 ND1 HIS A 36 -5.863 -3.077 10.153 1.00 43.01 N ATOM 592 CD2 HIS A 36 -3.886 -3.932 10.494 1.00 21.44 C ATOM 593 CE1 HIS A 36 -5.925 -3.867 11.225 1.00 42.14 C ATOM 594 NE2 HIS A 36 -4.742 -4.417 11.477 1.00 62.41 N ATOM 0 H HIS A 36 -3.350 -1.355 6.351 1.00 62.31 H new ATOM 0 HA HIS A 36 -3.018 -3.931 7.534 1.00 51.31 H new ATOM 0 HB2 HIS A 36 -3.195 -1.782 8.760 1.00 42.01 H new ATOM 0 HB3 HIS A 36 -4.850 -1.604 8.214 1.00 42.01 H new ATOM 0 HD2 HIS A 36 -2.838 -4.178 10.402 1.00 21.44 H new ATOM 0 HE1 HIS A 36 -6.817 -4.037 11.810 1.00 42.14 H new ATOM 0 HE2 HIS A 36 -4.510 -5.061 12.234 1.00 62.41 H new ATOM 602 N THR A 37 -5.921 -3.134 6.220 1.00 25.35 N ATOM 603 CA THR A 37 -7.154 -3.573 5.645 1.00 3.23 C ATOM 604 C THR A 37 -6.951 -4.595 4.514 1.00 75.15 C ATOM 605 O THR A 37 -7.577 -5.634 4.508 1.00 13.42 O ATOM 606 CB THR A 37 -7.932 -2.316 5.172 1.00 2.22 C ATOM 607 OG1 THR A 37 -8.592 -1.681 6.284 1.00 52.23 O ATOM 608 CG2 THR A 37 -8.873 -2.551 3.999 1.00 71.42 C ATOM 0 H THR A 37 -5.789 -2.125 6.156 1.00 25.35 H new ATOM 0 HA THR A 37 -7.735 -4.106 6.397 1.00 3.23 H new ATOM 0 HB THR A 37 -7.182 -1.633 4.773 1.00 2.22 H new ATOM 0 HG1 THR A 37 -8.014 -0.979 6.650 1.00 52.23 H new ATOM 0 HG21 THR A 37 -9.372 -1.617 3.740 1.00 71.42 H new ATOM 0 HG22 THR A 37 -8.303 -2.908 3.141 1.00 71.42 H new ATOM 0 HG23 THR A 37 -9.619 -3.296 4.275 1.00 71.42 H new ATOM 616 N TYR A 38 -6.038 -4.305 3.627 1.00 4.33 N ATOM 617 CA TYR A 38 -5.794 -5.080 2.427 1.00 14.33 C ATOM 618 C TYR A 38 -5.483 -6.540 2.711 1.00 63.43 C ATOM 619 O TYR A 38 -6.086 -7.439 2.107 1.00 54.54 O ATOM 620 CB TYR A 38 -4.666 -4.427 1.642 1.00 22.05 C ATOM 621 CG TYR A 38 -4.376 -5.059 0.335 1.00 41.00 C ATOM 622 CD1 TYR A 38 -5.270 -4.928 -0.685 1.00 0.35 C ATOM 623 CD2 TYR A 38 -3.188 -5.740 0.105 1.00 15.24 C ATOM 624 CE1 TYR A 38 -5.003 -5.459 -1.936 1.00 73.00 C ATOM 625 CE2 TYR A 38 -2.913 -6.285 -1.132 1.00 60.31 C ATOM 626 CZ TYR A 38 -3.823 -6.139 -2.152 1.00 34.45 C ATOM 627 OH TYR A 38 -3.547 -6.662 -3.400 1.00 53.42 O ATOM 0 H TYR A 38 -5.420 -3.498 3.717 1.00 4.33 H new ATOM 0 HA TYR A 38 -6.711 -5.084 1.838 1.00 14.33 H new ATOM 0 HB2 TYR A 38 -4.916 -3.379 1.476 1.00 22.05 H new ATOM 0 HB3 TYR A 38 -3.761 -4.446 2.249 1.00 22.05 H new ATOM 0 HD1 TYR A 38 -6.199 -4.403 -0.516 1.00 0.35 H new ATOM 0 HD2 TYR A 38 -2.470 -5.844 0.905 1.00 15.24 H new ATOM 0 HE1 TYR A 38 -5.716 -5.341 -2.739 1.00 73.00 H new ATOM 0 HE2 TYR A 38 -1.991 -6.822 -1.298 1.00 60.31 H new ATOM 0 HH TYR A 38 -2.675 -7.109 -3.382 1.00 53.42 H new ATOM 637 N GLN A 39 -4.577 -6.776 3.641 1.00 75.33 N ATOM 638 CA GLN A 39 -4.174 -8.133 3.963 1.00 21.24 C ATOM 639 C GLN A 39 -5.324 -8.874 4.631 1.00 52.30 C ATOM 640 O GLN A 39 -5.549 -10.053 4.382 1.00 32.14 O ATOM 641 CB GLN A 39 -2.934 -8.140 4.856 1.00 23.40 C ATOM 642 CG GLN A 39 -1.739 -7.416 4.253 1.00 22.15 C ATOM 643 CD GLN A 39 -0.493 -7.498 5.116 1.00 0.51 C ATOM 644 OE1 GLN A 39 -0.269 -8.473 5.833 1.00 13.42 O ATOM 645 NE2 GLN A 39 0.316 -6.477 5.069 1.00 3.01 N ATOM 0 H GLN A 39 -4.108 -6.051 4.184 1.00 75.33 H new ATOM 0 HA GLN A 39 -3.918 -8.646 3.036 1.00 21.24 H new ATOM 0 HB2 GLN A 39 -3.183 -7.678 5.811 1.00 23.40 H new ATOM 0 HB3 GLN A 39 -2.654 -9.172 5.065 1.00 23.40 H new ATOM 0 HG2 GLN A 39 -1.523 -7.840 3.272 1.00 22.15 H new ATOM 0 HG3 GLN A 39 -1.997 -6.369 4.098 1.00 22.15 H new ATOM 0 HE21 GLN A 39 0.102 -5.684 4.464 1.00 3.01 H new ATOM 0 HE22 GLN A 39 1.163 -6.471 5.637 1.00 3.01 H new ATOM 904 N GLU A 55 -8.614 -5.433 -4.917 1.00 31.22 N ATOM 905 CA GLU A 55 -7.338 -4.917 -5.389 1.00 72.42 C ATOM 906 C GLU A 55 -7.411 -3.557 -6.123 1.00 61.35 C ATOM 907 O GLU A 55 -6.623 -2.652 -5.830 1.00 50.14 O ATOM 908 CB GLU A 55 -6.716 -5.959 -6.286 1.00 54.42 C ATOM 909 CG GLU A 55 -5.275 -5.717 -6.577 1.00 3.41 C ATOM 910 CD GLU A 55 -4.719 -6.713 -7.547 1.00 52.22 C ATOM 911 OE1 GLU A 55 -4.672 -7.915 -7.227 1.00 41.32 O ATOM 912 OE2 GLU A 55 -4.358 -6.325 -8.655 1.00 2.50 O ATOM 0 HA GLU A 55 -6.731 -4.720 -4.506 1.00 72.42 H new ATOM 0 HB2 GLU A 55 -6.824 -6.938 -5.819 1.00 54.42 H new ATOM 0 HB3 GLU A 55 -7.267 -5.992 -7.226 1.00 54.42 H new ATOM 0 HG2 GLU A 55 -5.151 -4.712 -6.980 1.00 3.41 H new ATOM 0 HG3 GLU A 55 -4.706 -5.760 -5.648 1.00 3.41 H new ATOM 919 N GLU A 56 -8.345 -3.405 -7.031 1.00 62.03 N ATOM 920 CA GLU A 56 -8.474 -2.204 -7.787 1.00 73.03 C ATOM 921 C GLU A 56 -8.950 -1.027 -6.941 1.00 12.43 C ATOM 922 O GLU A 56 -8.437 0.084 -7.060 1.00 31.34 O ATOM 923 CB GLU A 56 -9.409 -2.443 -8.917 1.00 74.05 C ATOM 924 CG GLU A 56 -8.924 -3.472 -9.897 1.00 61.31 C ATOM 925 CD GLU A 56 -9.820 -3.569 -11.079 1.00 64.03 C ATOM 926 OE1 GLU A 56 -10.890 -4.207 -10.984 1.00 40.13 O ATOM 927 OE2 GLU A 56 -9.490 -2.990 -12.126 1.00 63.12 O ATOM 0 H GLU A 56 -9.035 -4.120 -7.260 1.00 62.03 H new ATOM 0 HA GLU A 56 -7.487 -1.935 -8.164 1.00 73.03 H new ATOM 0 HB2 GLU A 56 -10.373 -2.760 -8.518 1.00 74.05 H new ATOM 0 HB3 GLU A 56 -9.576 -1.503 -9.444 1.00 74.05 H new ATOM 0 HG2 GLU A 56 -7.916 -3.217 -10.224 1.00 61.31 H new ATOM 0 HG3 GLU A 56 -8.863 -4.443 -9.405 1.00 61.31 H new ATOM 934 N GLU A 57 -9.896 -1.273 -6.067 1.00 33.53 N ATOM 935 CA GLU A 57 -10.432 -0.219 -5.233 1.00 0.42 C ATOM 936 C GLU A 57 -9.475 0.053 -4.078 1.00 4.04 C ATOM 937 O GLU A 57 -9.540 1.101 -3.416 1.00 31.31 O ATOM 938 CB GLU A 57 -11.805 -0.579 -4.762 1.00 23.35 C ATOM 939 CG GLU A 57 -11.813 -1.454 -3.595 1.00 15.43 C ATOM 940 CD GLU A 57 -13.146 -2.044 -3.377 1.00 64.03 C ATOM 941 OE1 GLU A 57 -13.969 -1.430 -2.679 1.00 51.33 O ATOM 942 OE2 GLU A 57 -13.407 -3.123 -3.924 1.00 63.11 O ATOM 0 H GLU A 57 -10.312 -2.192 -5.913 1.00 33.53 H new ATOM 0 HA GLU A 57 -10.525 0.701 -5.810 1.00 0.42 H new ATOM 0 HB2 GLU A 57 -12.349 0.335 -4.524 1.00 23.35 H new ATOM 0 HB3 GLU A 57 -12.342 -1.067 -5.575 1.00 23.35 H new ATOM 0 HG2 GLU A 57 -11.079 -2.248 -3.728 1.00 15.43 H new ATOM 0 HG3 GLU A 57 -11.514 -0.889 -2.712 1.00 15.43 H new ATOM 949 N VAL A 58 -8.616 -0.925 -3.824 1.00 50.11 N ATOM 950 CA VAL A 58 -7.534 -0.798 -2.915 1.00 42.11 C ATOM 951 C VAL A 58 -6.599 0.265 -3.456 1.00 55.43 C ATOM 952 O VAL A 58 -6.261 1.236 -2.768 1.00 72.24 O ATOM 953 CB VAL A 58 -6.782 -2.145 -2.812 1.00 55.25 C ATOM 954 CG1 VAL A 58 -5.414 -1.985 -2.211 1.00 31.43 C ATOM 955 CG2 VAL A 58 -7.587 -3.140 -2.015 1.00 75.05 C ATOM 0 H VAL A 58 -8.672 -1.843 -4.266 1.00 50.11 H new ATOM 0 HA VAL A 58 -7.896 -0.522 -1.925 1.00 42.11 H new ATOM 0 HB VAL A 58 -6.652 -2.519 -3.827 1.00 55.25 H new ATOM 0 HG11 VAL A 58 -4.924 -2.957 -2.159 1.00 31.43 H new ATOM 0 HG12 VAL A 58 -4.821 -1.312 -2.830 1.00 31.43 H new ATOM 0 HG13 VAL A 58 -5.504 -1.569 -1.207 1.00 31.43 H new ATOM 0 HG21 VAL A 58 -7.042 -4.082 -1.953 1.00 75.05 H new ATOM 0 HG22 VAL A 58 -7.755 -2.751 -1.011 1.00 75.05 H new ATOM 0 HG23 VAL A 58 -8.546 -3.307 -2.504 1.00 75.05 H new ATOM 965 N PHE A 59 -6.245 0.082 -4.726 1.00 44.12 N ATOM 966 CA PHE A 59 -5.379 0.979 -5.455 1.00 31.22 C ATOM 967 C PHE A 59 -5.954 2.392 -5.445 1.00 64.34 C ATOM 968 O PHE A 59 -5.211 3.364 -5.318 1.00 75.05 O ATOM 969 CB PHE A 59 -5.196 0.460 -6.894 1.00 13.22 C ATOM 970 CG PHE A 59 -4.256 1.279 -7.746 1.00 75.44 C ATOM 971 CD1 PHE A 59 -2.901 1.010 -7.747 1.00 4.50 C ATOM 972 CD2 PHE A 59 -4.730 2.316 -8.540 1.00 4.35 C ATOM 973 CE1 PHE A 59 -2.031 1.757 -8.517 1.00 74.42 C ATOM 974 CE2 PHE A 59 -3.865 3.065 -9.312 1.00 15.31 C ATOM 975 CZ PHE A 59 -2.514 2.787 -9.300 1.00 4.25 C ATOM 0 H PHE A 59 -6.564 -0.713 -5.280 1.00 44.12 H new ATOM 0 HA PHE A 59 -4.402 1.015 -4.973 1.00 31.22 H new ATOM 0 HB2 PHE A 59 -4.827 -0.565 -6.852 1.00 13.22 H new ATOM 0 HB3 PHE A 59 -6.171 0.428 -7.381 1.00 13.22 H new ATOM 0 HD1 PHE A 59 -2.517 0.205 -7.138 1.00 4.50 H new ATOM 0 HD2 PHE A 59 -5.787 2.538 -8.553 1.00 4.35 H new ATOM 0 HE1 PHE A 59 -0.974 1.536 -8.507 1.00 74.42 H new ATOM 0 HE2 PHE A 59 -4.246 3.868 -9.925 1.00 15.31 H new ATOM 0 HZ PHE A 59 -1.835 3.374 -9.902 1.00 4.25 H new ATOM 985 N THR A 60 -7.281 2.485 -5.515 1.00 12.25 N ATOM 986 CA THR A 60 -7.986 3.693 -5.499 1.00 14.45 C ATOM 987 C THR A 60 -7.638 4.561 -4.275 1.00 2.22 C ATOM 988 O THR A 60 -7.277 5.714 -4.437 1.00 12.12 O ATOM 989 CB THR A 60 -9.475 3.368 -5.516 1.00 53.44 C ATOM 990 OG1 THR A 60 -9.832 2.718 -6.754 1.00 41.41 O ATOM 991 CG2 THR A 60 -10.277 4.591 -5.321 1.00 55.12 C ATOM 0 H THR A 60 -7.887 1.667 -5.586 1.00 12.25 H new ATOM 0 HA THR A 60 -7.705 4.276 -6.376 1.00 14.45 H new ATOM 0 HB THR A 60 -9.689 2.686 -4.693 1.00 53.44 H new ATOM 0 HG1 THR A 60 -9.311 1.894 -6.853 1.00 41.41 H new ATOM 0 HG21 THR A 60 -11.337 4.337 -5.336 1.00 55.12 H new ATOM 0 HG22 THR A 60 -10.026 5.042 -4.361 1.00 55.12 H new ATOM 0 HG23 THR A 60 -10.062 5.299 -6.121 1.00 55.12 H new ATOM 999 N GLU A 61 -7.683 3.986 -3.074 1.00 34.54 N ATOM 1000 CA GLU A 61 -7.449 4.755 -1.854 1.00 53.22 C ATOM 1001 C GLU A 61 -6.013 5.203 -1.752 1.00 4.24 C ATOM 1002 O GLU A 61 -5.722 6.291 -1.278 1.00 5.35 O ATOM 1003 CB GLU A 61 -7.803 3.933 -0.647 1.00 32.24 C ATOM 1004 CG GLU A 61 -9.272 3.774 -0.465 1.00 54.31 C ATOM 1005 CD GLU A 61 -9.943 5.083 -0.163 1.00 34.43 C ATOM 1006 OE1 GLU A 61 -9.918 5.507 0.999 1.00 12.31 O ATOM 1007 OE2 GLU A 61 -10.509 5.709 -1.078 1.00 24.24 O ATOM 0 H GLU A 61 -7.878 2.997 -2.921 1.00 34.54 H new ATOM 0 HA GLU A 61 -8.084 5.640 -1.895 1.00 53.22 H new ATOM 0 HB2 GLU A 61 -7.344 2.948 -0.737 1.00 32.24 H new ATOM 0 HB3 GLU A 61 -7.380 4.401 0.242 1.00 32.24 H new ATOM 0 HG2 GLU A 61 -9.705 3.344 -1.368 1.00 54.31 H new ATOM 0 HG3 GLU A 61 -9.464 3.072 0.347 1.00 54.31 H new ATOM 1014 N VAL A 62 -5.129 4.358 -2.210 1.00 43.14 N ATOM 1015 CA VAL A 62 -3.710 4.630 -2.193 1.00 52.10 C ATOM 1016 C VAL A 62 -3.364 5.730 -3.212 1.00 44.01 C ATOM 1017 O VAL A 62 -2.617 6.659 -2.906 1.00 35.21 O ATOM 1018 CB VAL A 62 -2.914 3.348 -2.480 1.00 42.43 C ATOM 1019 CG1 VAL A 62 -1.438 3.578 -2.295 1.00 52.22 C ATOM 1020 CG2 VAL A 62 -3.383 2.232 -1.569 1.00 63.05 C ATOM 0 H VAL A 62 -5.372 3.452 -2.610 1.00 43.14 H new ATOM 0 HA VAL A 62 -3.434 4.985 -1.200 1.00 52.10 H new ATOM 0 HB VAL A 62 -3.088 3.062 -3.517 1.00 42.43 H new ATOM 0 HG11 VAL A 62 -0.897 2.655 -2.504 1.00 52.22 H new ATOM 0 HG12 VAL A 62 -1.103 4.358 -2.979 1.00 52.22 H new ATOM 0 HG13 VAL A 62 -1.244 3.888 -1.268 1.00 52.22 H new ATOM 0 HG21 VAL A 62 -2.813 1.327 -1.779 1.00 63.05 H new ATOM 0 HG22 VAL A 62 -3.231 2.523 -0.530 1.00 63.05 H new ATOM 0 HG23 VAL A 62 -4.442 2.042 -1.742 1.00 63.05 H new ATOM 1030 N ALA A 63 -3.950 5.639 -4.401 1.00 20.22 N ATOM 1031 CA ALA A 63 -3.783 6.660 -5.442 1.00 54.44 C ATOM 1032 C ALA A 63 -4.444 7.951 -4.994 1.00 12.44 C ATOM 1033 O ALA A 63 -4.051 9.033 -5.363 1.00 32.21 O ATOM 1034 CB ALA A 63 -4.367 6.186 -6.767 1.00 20.24 C ATOM 0 H ALA A 63 -4.552 4.862 -4.674 1.00 20.22 H new ATOM 0 HA ALA A 63 -2.719 6.838 -5.596 1.00 54.44 H new ATOM 0 HB1 ALA A 63 -4.231 6.960 -7.522 1.00 20.24 H new ATOM 0 HB2 ALA A 63 -3.858 5.276 -7.084 1.00 20.24 H new ATOM 0 HB3 ALA A 63 -5.431 5.982 -6.644 1.00 20.24 H new ATOM 1040 N ASN A 64 -5.471 7.800 -4.211 1.00 61.51 N ATOM 1041 CA ASN A 64 -6.185 8.897 -3.604 1.00 52.23 C ATOM 1042 C ASN A 64 -5.352 9.572 -2.534 1.00 64.13 C ATOM 1043 O ASN A 64 -5.382 10.787 -2.388 1.00 64.35 O ATOM 1044 CB ASN A 64 -7.506 8.380 -3.079 1.00 62.03 C ATOM 1045 CG ASN A 64 -8.184 9.209 -2.027 1.00 45.11 C ATOM 1046 OD1 ASN A 64 -8.897 10.167 -2.323 1.00 61.44 O ATOM 1047 ND2 ASN A 64 -8.038 8.789 -0.803 1.00 1.21 N ATOM 0 H ASN A 64 -5.850 6.885 -3.967 1.00 61.51 H new ATOM 0 HA ASN A 64 -6.386 9.668 -4.347 1.00 52.23 H new ATOM 0 HB2 ASN A 64 -8.189 8.274 -3.922 1.00 62.03 H new ATOM 0 HB3 ASN A 64 -7.344 7.381 -2.673 1.00 62.03 H new ATOM 0 HD21 ASN A 64 -8.526 9.259 -0.041 1.00 1.21 H new ATOM 0 HD22 ASN A 64 -7.436 7.990 -0.607 1.00 1.21 H new ATOM 1054 N LEU A 65 -4.579 8.785 -1.832 1.00 42.04 N ATOM 1055 CA LEU A 65 -3.706 9.278 -0.809 1.00 13.14 C ATOM 1056 C LEU A 65 -2.540 10.026 -1.464 1.00 42.13 C ATOM 1057 O LEU A 65 -2.334 11.220 -1.245 1.00 50.44 O ATOM 1058 CB LEU A 65 -3.114 8.103 -0.026 1.00 20.14 C ATOM 1059 CG LEU A 65 -2.932 8.291 1.480 1.00 10.40 C ATOM 1060 CD1 LEU A 65 -2.895 9.724 1.875 1.00 12.30 C ATOM 1061 CD2 LEU A 65 -3.991 7.597 2.236 1.00 42.54 C ATOM 0 H LEU A 65 -4.540 7.774 -1.959 1.00 42.04 H new ATOM 0 HA LEU A 65 -4.272 9.933 -0.147 1.00 13.14 H new ATOM 0 HB2 LEU A 65 -3.754 7.235 -0.184 1.00 20.14 H new ATOM 0 HB3 LEU A 65 -2.142 7.865 -0.457 1.00 20.14 H new ATOM 0 HG LEU A 65 -1.966 7.851 1.726 1.00 10.40 H new ATOM 0 HD11 LEU A 65 -2.764 9.801 2.954 1.00 12.30 H new ATOM 0 HD12 LEU A 65 -2.064 10.219 1.373 1.00 12.30 H new ATOM 0 HD13 LEU A 65 -3.830 10.205 1.588 1.00 12.30 H new ATOM 0 HD21 LEU A 65 -3.835 7.749 3.304 1.00 42.54 H new ATOM 0 HD22 LEU A 65 -4.964 7.998 1.951 1.00 42.54 H new ATOM 0 HD23 LEU A 65 -3.958 6.531 2.013 1.00 42.54 H new ATOM 1073 N PHE A 66 -1.824 9.320 -2.311 1.00 3.34 N ATOM 1074 CA PHE A 66 -0.601 9.830 -2.899 1.00 33.33 C ATOM 1075 C PHE A 66 -0.839 10.350 -4.307 1.00 42.51 C ATOM 1076 O PHE A 66 0.020 10.197 -5.181 1.00 21.13 O ATOM 1077 CB PHE A 66 0.450 8.714 -2.947 1.00 52.30 C ATOM 1078 CG PHE A 66 0.677 8.010 -1.646 1.00 43.25 C ATOM 1079 CD1 PHE A 66 0.924 8.719 -0.486 1.00 61.13 C ATOM 1080 CD2 PHE A 66 0.649 6.633 -1.589 1.00 74.01 C ATOM 1081 CE1 PHE A 66 1.135 8.067 0.705 1.00 42.44 C ATOM 1082 CE2 PHE A 66 0.860 5.976 -0.403 1.00 44.41 C ATOM 1083 CZ PHE A 66 1.102 6.694 0.747 1.00 45.20 C ATOM 0 H PHE A 66 -2.071 8.377 -2.612 1.00 3.34 H new ATOM 0 HA PHE A 66 -0.248 10.656 -2.281 1.00 33.33 H new ATOM 0 HB2 PHE A 66 0.146 7.980 -3.693 1.00 52.30 H new ATOM 0 HB3 PHE A 66 1.396 9.139 -3.284 1.00 52.30 H new ATOM 0 HD1 PHE A 66 0.952 9.798 -0.516 1.00 61.13 H new ATOM 0 HD2 PHE A 66 0.459 6.065 -2.488 1.00 74.01 H new ATOM 0 HE1 PHE A 66 1.326 8.632 1.605 1.00 42.44 H new ATOM 0 HE2 PHE A 66 0.836 4.897 -0.371 1.00 44.41 H new ATOM 0 HZ PHE A 66 1.266 6.178 1.682 1.00 45.20 H new ATOM 1093 N ARG A 67 -1.963 11.006 -4.525 1.00 3.51 N ATOM 1094 CA ARG A 67 -2.236 11.583 -5.813 1.00 34.21 C ATOM 1095 C ARG A 67 -1.254 12.684 -6.125 1.00 32.44 C ATOM 1096 O ARG A 67 -0.878 13.472 -5.248 1.00 2.23 O ATOM 1097 CB ARG A 67 -3.692 12.019 -5.966 1.00 1.01 C ATOM 1098 CG ARG A 67 -4.299 12.726 -4.785 1.00 14.21 C ATOM 1099 CD ARG A 67 -5.777 12.960 -5.028 1.00 14.21 C ATOM 1100 NE ARG A 67 -6.502 11.705 -5.338 1.00 71.30 N ATOM 1101 CZ ARG A 67 -7.841 11.593 -5.459 1.00 53.11 C ATOM 1102 NH1 ARG A 67 -8.634 12.612 -5.149 1.00 44.40 N ATOM 1103 NH2 ARG A 67 -8.383 10.449 -5.868 1.00 51.32 N ATOM 0 H ARG A 67 -2.693 11.148 -3.827 1.00 3.51 H new ATOM 0 HA ARG A 67 -2.094 10.803 -6.561 1.00 34.21 H new ATOM 0 HB2 ARG A 67 -3.764 12.676 -6.833 1.00 1.01 H new ATOM 0 HB3 ARG A 67 -4.293 11.136 -6.184 1.00 1.01 H new ATOM 0 HG2 ARG A 67 -4.160 12.131 -3.883 1.00 14.21 H new ATOM 0 HG3 ARG A 67 -3.793 13.678 -4.620 1.00 14.21 H new ATOM 0 HD2 ARG A 67 -6.219 13.424 -4.146 1.00 14.21 H new ATOM 0 HD3 ARG A 67 -5.901 13.662 -5.853 1.00 14.21 H new ATOM 0 HE ARG A 67 -5.945 10.861 -5.470 1.00 71.30 H new ATOM 0 HH11 ARG A 67 -8.232 13.488 -4.816 1.00 44.40 H new ATOM 0 HH12 ARG A 67 -9.645 12.518 -5.244 1.00 44.40 H new ATOM 0 HH21 ARG A 67 -7.786 9.653 -6.091 1.00 51.32 H new ATOM 0 HH22 ARG A 67 -9.396 10.368 -5.958 1.00 51.32 H new ATOM 1117 N GLY A 68 -0.789 12.687 -7.340 1.00 4.31 N ATOM 1118 CA GLY A 68 0.258 13.583 -7.738 1.00 42.24 C ATOM 1119 C GLY A 68 1.568 12.837 -7.772 1.00 15.52 C ATOM 1120 O GLY A 68 2.315 12.888 -8.748 1.00 0.50 O ATOM 0 H GLY A 68 -1.123 12.071 -8.081 1.00 4.31 H new ATOM 0 HA2 GLY A 68 0.040 14.002 -8.720 1.00 42.24 H new ATOM 0 HA3 GLY A 68 0.321 14.419 -7.042 1.00 42.24 H new ATOM 1124 N GLN A 69 1.814 12.076 -6.726 1.00 73.23 N ATOM 1125 CA GLN A 69 3.020 11.311 -6.584 1.00 24.15 C ATOM 1126 C GLN A 69 2.868 9.963 -7.279 1.00 1.21 C ATOM 1127 O GLN A 69 2.932 8.894 -6.656 1.00 11.34 O ATOM 1128 CB GLN A 69 3.325 11.139 -5.110 1.00 24.51 C ATOM 1129 CG GLN A 69 3.354 12.464 -4.359 1.00 22.03 C ATOM 1130 CD GLN A 69 4.391 13.440 -4.898 1.00 3.32 C ATOM 1131 OE1 GLN A 69 5.439 13.048 -5.411 1.00 1.43 O ATOM 1132 NE2 GLN A 69 4.103 14.706 -4.802 1.00 11.31 N ATOM 0 H GLN A 69 1.168 11.975 -5.943 1.00 73.23 H new ATOM 0 HA GLN A 69 3.852 11.835 -7.055 1.00 24.15 H new ATOM 0 HB2 GLN A 69 2.575 10.488 -4.661 1.00 24.51 H new ATOM 0 HB3 GLN A 69 4.288 10.641 -4.998 1.00 24.51 H new ATOM 0 HG2 GLN A 69 2.368 12.926 -4.413 1.00 22.03 H new ATOM 0 HG3 GLN A 69 3.559 12.272 -3.306 1.00 22.03 H new ATOM 0 HE21 GLN A 69 3.226 14.998 -4.371 1.00 11.31 H new ATOM 0 HE22 GLN A 69 4.755 15.406 -5.158 1.00 11.31 H new ATOM 1141 N GLU A 70 2.687 10.037 -8.582 1.00 63.40 N ATOM 1142 CA GLU A 70 2.459 8.883 -9.442 1.00 41.45 C ATOM 1143 C GLU A 70 3.634 7.920 -9.451 1.00 14.45 C ATOM 1144 O GLU A 70 3.475 6.750 -9.770 1.00 70.40 O ATOM 1145 CB GLU A 70 2.126 9.344 -10.844 1.00 31.00 C ATOM 1146 CG GLU A 70 0.821 10.107 -10.927 1.00 51.44 C ATOM 1147 CD GLU A 70 0.592 10.701 -12.278 1.00 65.00 C ATOM 1148 OE1 GLU A 70 0.216 9.968 -13.216 1.00 23.25 O ATOM 1149 OE2 GLU A 70 0.781 11.928 -12.427 1.00 51.24 O ATOM 0 H GLU A 70 2.694 10.922 -9.089 1.00 63.40 H new ATOM 0 HA GLU A 70 1.612 8.331 -9.034 1.00 41.45 H new ATOM 0 HB2 GLU A 70 2.933 9.977 -11.213 1.00 31.00 H new ATOM 0 HB3 GLU A 70 2.075 8.477 -11.502 1.00 31.00 H new ATOM 0 HG2 GLU A 70 -0.004 9.438 -10.683 1.00 51.44 H new ATOM 0 HG3 GLU A 70 0.819 10.900 -10.180 1.00 51.44 H new ATOM 1156 N ASP A 71 4.792 8.409 -9.074 1.00 62.34 N ATOM 1157 CA ASP A 71 5.992 7.582 -8.983 1.00 62.02 C ATOM 1158 C ASP A 71 5.804 6.475 -7.945 1.00 54.45 C ATOM 1159 O ASP A 71 6.106 5.307 -8.201 1.00 5.41 O ATOM 1160 CB ASP A 71 7.183 8.449 -8.631 1.00 32.42 C ATOM 1161 CG ASP A 71 8.451 7.668 -8.421 1.00 65.42 C ATOM 1162 OD1 ASP A 71 9.004 7.129 -9.403 1.00 33.21 O ATOM 1163 OD2 ASP A 71 8.934 7.625 -7.281 1.00 53.35 O ATOM 0 H ASP A 71 4.938 9.386 -8.821 1.00 62.34 H new ATOM 0 HA ASP A 71 6.172 7.110 -9.949 1.00 62.02 H new ATOM 0 HB2 ASP A 71 7.341 9.176 -9.427 1.00 32.42 H new ATOM 0 HB3 ASP A 71 6.958 9.012 -7.725 1.00 32.42 H new ATOM 1168 N LEU A 72 5.222 6.843 -6.809 1.00 43.43 N ATOM 1169 CA LEU A 72 4.950 5.900 -5.723 1.00 73.32 C ATOM 1170 C LEU A 72 3.871 4.920 -6.164 1.00 22.44 C ATOM 1171 O LEU A 72 3.893 3.737 -5.834 1.00 34.11 O ATOM 1172 CB LEU A 72 4.450 6.658 -4.483 1.00 32.14 C ATOM 1173 CG LEU A 72 5.381 7.728 -3.902 1.00 3.43 C ATOM 1174 CD1 LEU A 72 4.702 8.440 -2.749 1.00 32.22 C ATOM 1175 CD2 LEU A 72 6.685 7.110 -3.433 1.00 54.21 C ATOM 0 H LEU A 72 4.925 7.799 -6.612 1.00 43.43 H new ATOM 0 HA LEU A 72 5.868 5.365 -5.480 1.00 73.32 H new ATOM 0 HB2 LEU A 72 3.502 7.134 -4.736 1.00 32.14 H new ATOM 0 HB3 LEU A 72 4.242 5.928 -3.700 1.00 32.14 H new ATOM 0 HG LEU A 72 5.604 8.451 -4.687 1.00 3.43 H new ATOM 0 HD11 LEU A 72 5.372 9.198 -2.344 1.00 32.22 H new ATOM 0 HD12 LEU A 72 3.788 8.916 -3.103 1.00 32.22 H new ATOM 0 HD13 LEU A 72 4.457 7.719 -1.970 1.00 32.22 H new ATOM 0 HD21 LEU A 72 7.330 7.888 -3.025 1.00 54.21 H new ATOM 0 HD22 LEU A 72 6.479 6.367 -2.662 1.00 54.21 H new ATOM 0 HD23 LEU A 72 7.184 6.630 -4.275 1.00 54.21 H new ATOM 1187 N LEU A 73 2.973 5.433 -6.964 1.00 71.52 N ATOM 1188 CA LEU A 73 1.803 4.697 -7.431 1.00 61.51 C ATOM 1189 C LEU A 73 2.194 3.696 -8.513 1.00 62.51 C ATOM 1190 O LEU A 73 1.629 2.601 -8.605 1.00 70.15 O ATOM 1191 CB LEU A 73 0.744 5.674 -7.968 1.00 33.30 C ATOM 1192 CG LEU A 73 0.310 6.796 -7.009 1.00 54.41 C ATOM 1193 CD1 LEU A 73 -0.720 7.708 -7.651 1.00 64.32 C ATOM 1194 CD2 LEU A 73 -0.228 6.227 -5.709 1.00 12.14 C ATOM 0 H LEU A 73 3.025 6.387 -7.321 1.00 71.52 H new ATOM 0 HA LEU A 73 1.382 4.146 -6.590 1.00 61.51 H new ATOM 0 HB2 LEU A 73 1.130 6.132 -8.879 1.00 33.30 H new ATOM 0 HB3 LEU A 73 -0.140 5.101 -8.249 1.00 33.30 H new ATOM 0 HG LEU A 73 1.196 7.390 -6.785 1.00 54.41 H new ATOM 0 HD11 LEU A 73 -1.004 8.489 -6.946 1.00 64.32 H new ATOM 0 HD12 LEU A 73 -0.295 8.164 -8.545 1.00 64.32 H new ATOM 0 HD13 LEU A 73 -1.601 7.127 -7.923 1.00 64.32 H new ATOM 0 HD21 LEU A 73 -0.527 7.043 -5.051 1.00 12.14 H new ATOM 0 HD22 LEU A 73 -1.091 5.595 -5.918 1.00 12.14 H new ATOM 0 HD23 LEU A 73 0.547 5.634 -5.223 1.00 12.14 H new ATOM 1206 N SER A 74 3.166 4.072 -9.313 1.00 12.42 N ATOM 1207 CA SER A 74 3.674 3.242 -10.377 1.00 22.54 C ATOM 1208 C SER A 74 4.325 1.985 -9.784 1.00 34.14 C ATOM 1209 O SER A 74 4.046 0.865 -10.199 1.00 1.11 O ATOM 1210 CB SER A 74 4.689 4.056 -11.218 1.00 43.53 C ATOM 1211 OG SER A 74 5.128 3.351 -12.370 1.00 64.11 O ATOM 0 H SER A 74 3.631 4.977 -9.240 1.00 12.42 H new ATOM 0 HA SER A 74 2.859 2.926 -11.029 1.00 22.54 H new ATOM 0 HB2 SER A 74 4.231 4.997 -11.524 1.00 43.53 H new ATOM 0 HB3 SER A 74 5.550 4.307 -10.599 1.00 43.53 H new ATOM 0 HG SER A 74 5.765 3.904 -12.869 1.00 64.11 H new ATOM 1217 N GLU A 75 5.113 2.177 -8.749 1.00 72.41 N ATOM 1218 CA GLU A 75 5.850 1.086 -8.132 1.00 13.10 C ATOM 1219 C GLU A 75 4.989 0.300 -7.136 1.00 24.12 C ATOM 1220 O GLU A 75 5.417 -0.721 -6.594 1.00 14.32 O ATOM 1221 CB GLU A 75 7.105 1.626 -7.476 1.00 12.15 C ATOM 1222 CG GLU A 75 8.014 2.360 -8.452 1.00 51.43 C ATOM 1223 CD GLU A 75 8.587 1.471 -9.530 1.00 73.14 C ATOM 1224 OE1 GLU A 75 7.871 1.100 -10.485 1.00 75.11 O ATOM 1225 OE2 GLU A 75 9.780 1.130 -9.454 1.00 74.25 O ATOM 0 H GLU A 75 5.263 3.086 -8.311 1.00 72.41 H new ATOM 0 HA GLU A 75 6.135 0.381 -8.913 1.00 13.10 H new ATOM 0 HB2 GLU A 75 6.825 2.303 -6.669 1.00 12.15 H new ATOM 0 HB3 GLU A 75 7.656 0.802 -7.024 1.00 12.15 H new ATOM 0 HG2 GLU A 75 7.453 3.169 -8.920 1.00 51.43 H new ATOM 0 HG3 GLU A 75 8.833 2.819 -7.898 1.00 51.43 H new ATOM 1232 N PHE A 76 3.775 0.770 -6.917 1.00 11.11 N ATOM 1233 CA PHE A 76 2.824 0.116 -6.022 1.00 34.10 C ATOM 1234 C PHE A 76 2.409 -1.236 -6.605 1.00 14.11 C ATOM 1235 O PHE A 76 2.184 -2.187 -5.869 1.00 55.31 O ATOM 1236 CB PHE A 76 1.623 1.052 -5.777 1.00 14.23 C ATOM 1237 CG PHE A 76 0.690 0.630 -4.675 1.00 1.44 C ATOM 1238 CD1 PHE A 76 1.178 0.317 -3.412 1.00 63.34 C ATOM 1239 CD2 PHE A 76 -0.669 0.553 -4.899 1.00 41.15 C ATOM 1240 CE1 PHE A 76 0.323 -0.067 -2.399 1.00 71.11 C ATOM 1241 CE2 PHE A 76 -1.532 0.172 -3.890 1.00 51.42 C ATOM 1242 CZ PHE A 76 -1.034 -0.139 -2.638 1.00 31.22 C ATOM 0 H PHE A 76 3.415 1.618 -7.354 1.00 11.11 H new ATOM 0 HA PHE A 76 3.286 -0.082 -5.055 1.00 34.10 H new ATOM 0 HB2 PHE A 76 2.001 2.048 -5.548 1.00 14.23 H new ATOM 0 HB3 PHE A 76 1.052 1.133 -6.702 1.00 14.23 H new ATOM 0 HD1 PHE A 76 2.239 0.375 -3.221 1.00 63.34 H new ATOM 0 HD2 PHE A 76 -1.063 0.794 -5.875 1.00 41.15 H new ATOM 0 HE1 PHE A 76 0.715 -0.310 -1.422 1.00 71.11 H new ATOM 0 HE2 PHE A 76 -2.594 0.117 -4.079 1.00 51.42 H new ATOM 0 HZ PHE A 76 -1.707 -0.438 -1.848 1.00 31.22 H new