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 Single : A 12 SER OG : rot 29:sc= 0.162 USER MOD Single : A 13 TYR OH : rot 41:sc= 0.954 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.04) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 84:sc= 1.25 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.6!) USER MOD Single : A 60 THR OG1 : rot 71:sc= 0.649 USER MOD Single : A 64 ASN : amide:sc= 0.269 X(o=0.27,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 74 SER OG : rot 71:sc= 0.64 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.874 1.381 0.864 1.00 34.22 N ATOM 159 CA SER A 12 13.320 2.588 0.196 1.00 41.41 C ATOM 160 C SER A 12 12.105 3.389 -0.275 1.00 61.52 C ATOM 161 O SER A 12 12.055 4.619 -0.124 1.00 75.12 O ATOM 162 CB SER A 12 14.222 2.209 -0.974 1.00 12.42 C ATOM 163 OG SER A 12 15.307 1.381 -0.525 1.00 60.44 O ATOM 0 HA SER A 12 13.891 3.212 0.883 1.00 41.41 H new ATOM 0 HB2 SER A 12 13.643 1.681 -1.731 1.00 12.42 H new ATOM 0 HB3 SER A 12 14.615 3.110 -1.445 1.00 12.42 H new ATOM 0 HG SER A 12 15.026 0.874 0.265 1.00 60.44 H new ATOM 169 N TYR A 13 11.129 2.669 -0.797 1.00 5.02 N ATOM 170 CA TYR A 13 9.856 3.221 -1.194 1.00 0.54 C ATOM 171 C TYR A 13 9.126 3.803 0.021 1.00 71.43 C ATOM 172 O TYR A 13 8.684 4.949 -0.007 1.00 43.02 O ATOM 173 CB TYR A 13 9.027 2.123 -1.873 1.00 5.30 C ATOM 174 CG TYR A 13 7.565 2.435 -2.067 1.00 64.41 C ATOM 175 CD1 TYR A 13 7.156 3.501 -2.838 1.00 5.52 C ATOM 176 CD2 TYR A 13 6.589 1.645 -1.470 1.00 32.22 C ATOM 177 CE1 TYR A 13 5.824 3.772 -3.013 1.00 0.13 C ATOM 178 CE2 TYR A 13 5.251 1.909 -1.648 1.00 4.44 C ATOM 179 CZ TYR A 13 4.875 2.975 -2.421 1.00 5.03 C ATOM 180 OH TYR A 13 3.544 3.247 -2.617 1.00 2.22 O ATOM 0 H TYR A 13 11.205 1.665 -0.958 1.00 5.02 H new ATOM 0 HA TYR A 13 10.009 4.035 -1.903 1.00 0.54 H new ATOM 0 HB2 TYR A 13 9.467 1.911 -2.847 1.00 5.30 H new ATOM 0 HB3 TYR A 13 9.110 1.212 -1.281 1.00 5.30 H new ATOM 0 HD1 TYR A 13 7.895 4.131 -3.311 1.00 5.52 H new ATOM 0 HD2 TYR A 13 6.887 0.809 -0.855 1.00 32.22 H new ATOM 0 HE1 TYR A 13 5.520 4.614 -3.618 1.00 0.13 H new ATOM 0 HE2 TYR A 13 4.505 1.282 -1.183 1.00 4.44 H new ATOM 0 HH TYR A 13 3.397 3.504 -3.551 1.00 2.22 H new ATOM 190 N VAL A 14 9.028 3.016 1.082 1.00 74.42 N ATOM 191 CA VAL A 14 8.367 3.446 2.300 1.00 62.12 C ATOM 192 C VAL A 14 9.047 4.671 2.892 1.00 60.10 C ATOM 193 O VAL A 14 8.383 5.641 3.211 1.00 35.30 O ATOM 194 CB VAL A 14 8.265 2.319 3.368 1.00 60.31 C ATOM 195 CG1 VAL A 14 7.648 2.857 4.653 1.00 21.42 C ATOM 196 CG2 VAL A 14 7.426 1.162 2.844 1.00 11.35 C ATOM 0 H VAL A 14 9.402 2.068 1.121 1.00 74.42 H new ATOM 0 HA VAL A 14 7.349 3.708 2.013 1.00 62.12 H new ATOM 0 HB VAL A 14 9.272 1.960 3.580 1.00 60.31 H new ATOM 0 HG11 VAL A 14 7.584 2.056 5.389 1.00 21.42 H new ATOM 0 HG12 VAL A 14 8.269 3.662 5.046 1.00 21.42 H new ATOM 0 HG13 VAL A 14 6.649 3.239 4.445 1.00 21.42 H new ATOM 0 HG21 VAL A 14 7.365 0.383 3.604 1.00 11.35 H new ATOM 0 HG22 VAL A 14 6.423 1.518 2.608 1.00 11.35 H new ATOM 0 HG23 VAL A 14 7.888 0.756 1.944 1.00 11.35 H new ATOM 206 N ASN A 15 10.369 4.635 3.010 1.00 30.04 N ATOM 207 CA ASN A 15 11.147 5.719 3.536 1.00 60.33 C ATOM 208 C ASN A 15 10.923 6.992 2.733 1.00 21.13 C ATOM 209 O ASN A 15 10.850 8.098 3.292 1.00 33.42 O ATOM 210 CB ASN A 15 12.584 5.335 3.447 1.00 72.43 C ATOM 211 CG ASN A 15 13.472 6.305 4.120 1.00 0.50 C ATOM 212 OD1 ASN A 15 13.112 6.934 5.127 1.00 33.22 O ATOM 213 ND2 ASN A 15 14.606 6.467 3.579 1.00 3.20 N ATOM 0 H ASN A 15 10.929 3.829 2.733 1.00 30.04 H new ATOM 0 HA ASN A 15 10.850 5.910 4.567 1.00 60.33 H new ATOM 0 HB2 ASN A 15 12.722 4.350 3.894 1.00 72.43 H new ATOM 0 HB3 ASN A 15 12.870 5.252 2.399 1.00 72.43 H new ATOM 0 HD21 ASN A 15 15.267 7.138 3.971 1.00 3.20 H new ATOM 0 HD22 ASN A 15 14.858 5.927 2.751 1.00 3.20 H new ATOM 220 N LYS A 16 10.792 6.824 1.432 1.00 31.10 N ATOM 221 CA LYS A 16 10.544 7.914 0.540 1.00 20.01 C ATOM 222 C LYS A 16 9.203 8.551 0.899 1.00 44.42 C ATOM 223 O LYS A 16 9.100 9.761 0.991 1.00 12.31 O ATOM 224 CB LYS A 16 10.545 7.396 -0.887 1.00 70.23 C ATOM 225 CG LYS A 16 10.499 8.448 -1.944 1.00 2.32 C ATOM 226 CD LYS A 16 10.536 7.800 -3.304 1.00 65.14 C ATOM 227 CE LYS A 16 10.717 8.831 -4.403 1.00 12.31 C ATOM 228 NZ LYS A 16 10.773 8.219 -5.752 1.00 73.33 N ATOM 0 H LYS A 16 10.857 5.916 0.971 1.00 31.10 H new ATOM 0 HA LYS A 16 11.322 8.672 0.630 1.00 20.01 H new ATOM 0 HB2 LYS A 16 11.440 6.792 -1.037 1.00 70.23 H new ATOM 0 HB3 LYS A 16 9.688 6.735 -1.017 1.00 70.23 H new ATOM 0 HG2 LYS A 16 9.593 9.044 -1.839 1.00 2.32 H new ATOM 0 HG3 LYS A 16 11.343 9.128 -1.831 1.00 2.32 H new ATOM 0 HD2 LYS A 16 11.351 7.078 -3.343 1.00 65.14 H new ATOM 0 HD3 LYS A 16 9.612 7.247 -3.471 1.00 65.14 H new ATOM 0 HE2 LYS A 16 9.895 9.545 -4.366 1.00 12.31 H new ATOM 0 HE3 LYS A 16 11.634 9.391 -4.223 1.00 12.31 H new ATOM 0 HZ1 LYS A 16 10.999 8.951 -6.456 1.00 73.33 H new ATOM 0 HZ2 LYS A 16 11.508 7.483 -5.769 1.00 73.33 H new ATOM 0 HZ3 LYS A 16 9.852 7.793 -5.978 1.00 73.33 H new ATOM 242 N ILE A 17 8.206 7.708 1.161 1.00 74.33 N ATOM 243 CA ILE A 17 6.887 8.134 1.592 1.00 52.45 C ATOM 244 C ILE A 17 6.993 8.899 2.912 1.00 45.24 C ATOM 245 O ILE A 17 6.448 10.002 3.044 1.00 11.35 O ATOM 246 CB ILE A 17 5.968 6.908 1.825 1.00 5.22 C ATOM 247 CG1 ILE A 17 5.769 6.099 0.544 1.00 31.12 C ATOM 248 CG2 ILE A 17 4.640 7.331 2.417 1.00 31.00 C ATOM 249 CD1 ILE A 17 4.991 4.817 0.761 1.00 0.32 C ATOM 0 H ILE A 17 8.299 6.696 1.077 1.00 74.33 H new ATOM 0 HA ILE A 17 6.468 8.770 0.812 1.00 52.45 H new ATOM 0 HB ILE A 17 6.466 6.257 2.544 1.00 5.22 H new ATOM 0 HG12 ILE A 17 5.246 6.714 -0.189 1.00 31.12 H new ATOM 0 HG13 ILE A 17 6.744 5.857 0.120 1.00 31.12 H new ATOM 0 HG21 ILE A 17 4.014 6.452 2.571 1.00 31.00 H new ATOM 0 HG22 ILE A 17 4.809 7.828 3.372 1.00 31.00 H new ATOM 0 HG23 ILE A 17 4.140 8.018 1.735 1.00 31.00 H new ATOM 0 HD11 ILE A 17 4.885 4.291 -0.188 1.00 0.32 H new ATOM 0 HD12 ILE A 17 5.524 4.184 1.470 1.00 0.32 H new ATOM 0 HD13 ILE A 17 4.003 5.053 1.157 1.00 0.32 H new ATOM 261 N LYS A 18 7.719 8.301 3.873 1.00 71.23 N ATOM 262 CA LYS A 18 7.914 8.862 5.203 1.00 61.20 C ATOM 263 C LYS A 18 8.411 10.303 5.101 1.00 32.31 C ATOM 264 O LYS A 18 7.920 11.165 5.784 1.00 41.02 O ATOM 265 CB LYS A 18 8.941 8.022 5.985 1.00 34.22 C ATOM 266 CG LYS A 18 8.592 6.551 6.054 1.00 65.21 C ATOM 267 CD LYS A 18 9.617 5.721 6.771 1.00 20.32 C ATOM 268 CE LYS A 18 9.465 5.910 8.213 1.00 23.10 C ATOM 269 NZ LYS A 18 10.334 5.003 8.993 1.00 30.31 N ATOM 0 H LYS A 18 8.188 7.405 3.737 1.00 71.23 H new ATOM 0 HA LYS A 18 6.959 8.848 5.728 1.00 61.20 H new ATOM 0 HB2 LYS A 18 9.920 8.133 5.519 1.00 34.22 H new ATOM 0 HB3 LYS A 18 9.024 8.415 6.998 1.00 34.22 H new ATOM 0 HG2 LYS A 18 7.631 6.438 6.555 1.00 65.21 H new ATOM 0 HG3 LYS A 18 8.471 6.167 5.041 1.00 65.21 H new ATOM 0 HD2 LYS A 18 9.494 4.669 6.515 1.00 20.32 H new ATOM 0 HD3 LYS A 18 10.620 6.010 6.458 1.00 20.32 H new ATOM 0 HE2 LYS A 18 9.700 6.943 8.468 1.00 23.10 H new ATOM 0 HE3 LYS A 18 8.425 5.741 8.492 1.00 23.10 H new ATOM 0 HZ1 LYS A 18 10.191 5.174 10.009 1.00 30.31 H new ATOM 0 HZ2 LYS A 18 10.094 4.016 8.771 1.00 30.31 H new ATOM 0 HZ3 LYS A 18 11.329 5.180 8.749 1.00 30.31 H new ATOM 283 N THR A 19 9.375 10.518 4.215 1.00 61.35 N ATOM 284 CA THR A 19 9.969 11.803 3.933 1.00 61.35 C ATOM 285 C THR A 19 9.028 12.732 3.120 1.00 13.10 C ATOM 286 O THR A 19 8.894 13.917 3.432 1.00 31.12 O ATOM 287 CB THR A 19 11.303 11.552 3.177 1.00 45.35 C ATOM 288 OG1 THR A 19 12.389 11.333 4.086 1.00 44.42 O ATOM 289 CG2 THR A 19 11.626 12.611 2.142 1.00 41.13 C ATOM 0 H THR A 19 9.775 9.766 3.654 1.00 61.35 H new ATOM 0 HA THR A 19 10.152 12.325 4.872 1.00 61.35 H new ATOM 0 HB THR A 19 11.157 10.634 2.608 1.00 45.35 H new ATOM 0 HG1 THR A 19 13.213 11.177 3.579 1.00 44.42 H new ATOM 0 HG21 THR A 19 12.571 12.368 1.656 1.00 41.13 H new ATOM 0 HG22 THR A 19 10.832 12.645 1.396 1.00 41.13 H new ATOM 0 HG23 THR A 19 11.708 13.583 2.629 1.00 41.13 H new ATOM 297 N ARG A 20 8.406 12.204 2.093 1.00 51.42 N ATOM 298 CA ARG A 20 7.531 12.988 1.225 1.00 23.13 C ATOM 299 C ARG A 20 6.363 13.565 1.975 1.00 65.20 C ATOM 300 O ARG A 20 5.959 14.702 1.748 1.00 41.55 O ATOM 301 CB ARG A 20 7.071 12.135 0.059 1.00 32.14 C ATOM 302 CG ARG A 20 8.139 11.955 -0.995 1.00 15.41 C ATOM 303 CD ARG A 20 8.326 13.225 -1.790 1.00 45.41 C ATOM 304 NE ARG A 20 9.343 13.079 -2.824 1.00 23.34 N ATOM 305 CZ ARG A 20 9.301 13.669 -4.019 1.00 22.02 C ATOM 306 NH1 ARG A 20 8.276 14.443 -4.345 1.00 24.41 N ATOM 307 NH2 ARG A 20 10.291 13.482 -4.882 1.00 1.42 N ATOM 0 H ARG A 20 8.485 11.222 1.828 1.00 51.42 H new ATOM 0 HA ARG A 20 8.101 13.835 0.842 1.00 23.13 H new ATOM 0 HB2 ARG A 20 6.765 11.157 0.430 1.00 32.14 H new ATOM 0 HB3 ARG A 20 6.193 12.593 -0.396 1.00 32.14 H new ATOM 0 HG2 ARG A 20 9.080 11.675 -0.522 1.00 15.41 H new ATOM 0 HG3 ARG A 20 7.863 11.139 -1.663 1.00 15.41 H new ATOM 0 HD2 ARG A 20 7.379 13.507 -2.250 1.00 45.41 H new ATOM 0 HD3 ARG A 20 8.607 14.035 -1.117 1.00 45.41 H new ATOM 0 HE ARG A 20 10.145 12.483 -2.619 1.00 23.34 H new ATOM 0 HH11 ARG A 20 7.516 14.589 -3.681 1.00 24.41 H new ATOM 0 HH12 ARG A 20 8.247 14.893 -5.260 1.00 24.41 H new ATOM 0 HH21 ARG A 20 11.081 12.888 -4.631 1.00 1.42 H new ATOM 0 HH22 ARG A 20 10.262 13.932 -5.797 1.00 1.42 H new ATOM 321 N PHE A 21 5.873 12.800 2.891 1.00 30.43 N ATOM 322 CA PHE A 21 4.752 13.166 3.699 1.00 22.32 C ATOM 323 C PHE A 21 5.217 13.278 5.145 1.00 73.02 C ATOM 324 O PHE A 21 4.487 12.965 6.077 1.00 12.25 O ATOM 325 CB PHE A 21 3.658 12.108 3.536 1.00 3.42 C ATOM 326 CG PHE A 21 3.221 11.935 2.099 1.00 4.11 C ATOM 327 CD1 PHE A 21 2.246 12.744 1.556 1.00 23.54 C ATOM 328 CD2 PHE A 21 3.801 10.968 1.293 1.00 24.12 C ATOM 329 CE1 PHE A 21 1.852 12.594 0.242 1.00 31.40 C ATOM 330 CE2 PHE A 21 3.415 10.814 -0.015 1.00 51.24 C ATOM 331 CZ PHE A 21 2.438 11.628 -0.546 1.00 0.40 C ATOM 0 H PHE A 21 6.249 11.877 3.107 1.00 30.43 H new ATOM 0 HA PHE A 21 4.340 14.128 3.393 1.00 22.32 H new ATOM 0 HB2 PHE A 21 4.021 11.154 3.918 1.00 3.42 H new ATOM 0 HB3 PHE A 21 2.796 12.387 4.142 1.00 3.42 H new ATOM 0 HD1 PHE A 21 1.784 13.505 2.167 1.00 23.54 H new ATOM 0 HD2 PHE A 21 4.568 10.326 1.700 1.00 24.12 H new ATOM 0 HE1 PHE A 21 1.085 13.234 -0.168 1.00 31.40 H new ATOM 0 HE2 PHE A 21 3.877 10.055 -0.628 1.00 51.24 H new ATOM 0 HZ PHE A 21 2.133 11.509 -1.575 1.00 0.40 H new ATOM 341 N LEU A 22 6.437 13.767 5.316 1.00 13.00 N ATOM 342 CA LEU A 22 7.078 13.880 6.620 1.00 61.15 C ATOM 343 C LEU A 22 6.340 14.879 7.509 1.00 34.24 C ATOM 344 O LEU A 22 6.331 14.763 8.737 1.00 74.40 O ATOM 345 CB LEU A 22 8.548 14.290 6.434 1.00 31.20 C ATOM 346 CG LEU A 22 9.603 13.435 7.105 1.00 32.43 C ATOM 347 CD1 LEU A 22 10.991 14.006 6.892 1.00 43.34 C ATOM 348 CD2 LEU A 22 9.304 13.285 8.542 1.00 62.11 C ATOM 0 H LEU A 22 7.016 14.100 4.546 1.00 13.00 H new ATOM 0 HA LEU A 22 7.040 12.911 7.118 1.00 61.15 H new ATOM 0 HB2 LEU A 22 8.759 14.308 5.365 1.00 31.20 H new ATOM 0 HB3 LEU A 22 8.661 15.311 6.798 1.00 31.20 H new ATOM 0 HG LEU A 22 9.584 12.447 6.645 1.00 32.43 H new ATOM 0 HD11 LEU A 22 11.726 13.370 7.386 1.00 43.34 H new ATOM 0 HD12 LEU A 22 11.207 14.049 5.824 1.00 43.34 H new ATOM 0 HD13 LEU A 22 11.040 15.010 7.313 1.00 43.34 H new ATOM 0 HD21 LEU A 22 10.071 12.668 9.011 1.00 62.11 H new ATOM 0 HD22 LEU A 22 9.289 14.267 9.015 1.00 62.11 H new ATOM 0 HD23 LEU A 22 8.331 12.809 8.663 1.00 62.11 H new ATOM 360 N ASP A 23 5.716 15.841 6.885 1.00 51.44 N ATOM 361 CA ASP A 23 4.958 16.842 7.590 1.00 54.14 C ATOM 362 C ASP A 23 3.530 16.410 7.790 1.00 43.44 C ATOM 363 O ASP A 23 2.787 17.026 8.541 1.00 52.12 O ATOM 364 CB ASP A 23 4.994 18.158 6.844 1.00 44.51 C ATOM 365 CG ASP A 23 6.314 18.867 6.950 1.00 22.30 C ATOM 366 OD1 ASP A 23 6.588 19.477 7.997 1.00 42.45 O ATOM 367 OD2 ASP A 23 7.120 18.814 5.989 1.00 73.21 O ATOM 0 H ASP A 23 5.718 15.954 5.871 1.00 51.44 H new ATOM 0 HA ASP A 23 5.418 16.972 8.570 1.00 54.14 H new ATOM 0 HB2 ASP A 23 4.770 17.978 5.793 1.00 44.51 H new ATOM 0 HB3 ASP A 23 4.209 18.808 7.230 1.00 44.51 H new ATOM 372 N HIS A 24 3.152 15.337 7.143 1.00 22.13 N ATOM 373 CA HIS A 24 1.797 14.834 7.215 1.00 12.14 C ATOM 374 C HIS A 24 1.774 13.342 7.483 1.00 41.43 C ATOM 375 O HIS A 24 1.532 12.540 6.568 1.00 50.33 O ATOM 376 CB HIS A 24 1.007 15.131 5.936 1.00 30.45 C ATOM 377 CG HIS A 24 0.619 16.531 5.726 1.00 34.10 C ATOM 378 ND1 HIS A 24 -0.373 17.193 6.419 1.00 54.54 N ATOM 379 CD2 HIS A 24 1.118 17.388 4.873 1.00 73.21 C ATOM 380 CE1 HIS A 24 -0.422 18.441 5.953 1.00 73.11 C ATOM 381 NE2 HIS A 24 0.479 18.619 4.998 1.00 11.12 N ATOM 0 H HIS A 24 3.772 14.785 6.551 1.00 22.13 H new ATOM 0 HA HIS A 24 1.321 15.354 8.046 1.00 12.14 H new ATOM 0 HB2 HIS A 24 1.603 14.809 5.082 1.00 30.45 H new ATOM 0 HB3 HIS A 24 0.103 14.522 5.942 1.00 30.45 H new ATOM 0 HD1 HIS A 24 -0.961 16.800 7.154 1.00 54.54 H new ATOM 0 HD2 HIS A 24 1.911 17.172 4.173 1.00 73.21 H new ATOM 0 HE1 HIS A 24 -1.102 19.202 6.305 1.00 73.11 H new ATOM 389 N PRO A 25 2.030 12.924 8.736 1.00 14.45 N ATOM 390 CA PRO A 25 2.023 11.505 9.108 1.00 34.42 C ATOM 391 C PRO A 25 0.619 10.912 8.982 1.00 40.13 C ATOM 392 O PRO A 25 0.443 9.704 8.906 1.00 1.33 O ATOM 393 CB PRO A 25 2.485 11.508 10.571 1.00 42.11 C ATOM 394 CG PRO A 25 3.124 12.841 10.772 1.00 3.20 C ATOM 395 CD PRO A 25 2.371 13.781 9.888 1.00 15.12 C ATOM 0 HA PRO A 25 2.661 10.899 8.464 1.00 34.42 H new ATOM 0 HB2 PRO A 25 1.644 11.367 11.250 1.00 42.11 H new ATOM 0 HB3 PRO A 25 3.190 10.699 10.764 1.00 42.11 H new ATOM 0 HG2 PRO A 25 3.065 13.151 11.815 1.00 3.20 H new ATOM 0 HG3 PRO A 25 4.181 12.814 10.506 1.00 3.20 H new ATOM 0 HD2 PRO A 25 1.481 14.176 10.378 1.00 15.12 H new ATOM 0 HD3 PRO A 25 2.979 14.636 9.593 1.00 15.12 H new ATOM 403 N GLU A 26 -0.363 11.796 8.917 1.00 12.00 N ATOM 404 CA GLU A 26 -1.751 11.454 8.753 1.00 51.35 C ATOM 405 C GLU A 26 -1.977 10.711 7.428 1.00 52.24 C ATOM 406 O GLU A 26 -2.828 9.832 7.338 1.00 1.33 O ATOM 407 CB GLU A 26 -2.583 12.731 8.806 1.00 22.10 C ATOM 408 CG GLU A 26 -2.303 13.688 7.667 1.00 64.01 C ATOM 409 CD GLU A 26 -3.020 14.998 7.803 1.00 33.24 C ATOM 410 OE1 GLU A 26 -4.270 15.013 7.773 1.00 13.04 O ATOM 411 OE2 GLU A 26 -2.360 16.037 7.973 1.00 1.51 O ATOM 0 H GLU A 26 -0.202 12.801 8.980 1.00 12.00 H new ATOM 0 HA GLU A 26 -2.058 10.787 9.559 1.00 51.35 H new ATOM 0 HB2 GLU A 26 -3.640 12.466 8.794 1.00 22.10 H new ATOM 0 HB3 GLU A 26 -2.392 13.239 9.751 1.00 22.10 H new ATOM 0 HG2 GLU A 26 -1.230 13.873 7.612 1.00 64.01 H new ATOM 0 HG3 GLU A 26 -2.594 13.218 6.727 1.00 64.01 H new ATOM 418 N ILE A 27 -1.182 11.049 6.422 1.00 51.11 N ATOM 419 CA ILE A 27 -1.281 10.437 5.118 1.00 22.34 C ATOM 420 C ILE A 27 -0.666 9.057 5.174 1.00 75.31 C ATOM 421 O ILE A 27 -1.250 8.088 4.706 1.00 74.11 O ATOM 422 CB ILE A 27 -0.602 11.329 4.060 1.00 61.43 C ATOM 423 CG1 ILE A 27 -1.317 12.687 4.066 1.00 14.41 C ATOM 424 CG2 ILE A 27 -0.645 10.677 2.664 1.00 1.34 C ATOM 425 CD1 ILE A 27 -0.774 13.689 3.100 1.00 34.12 C ATOM 0 H ILE A 27 -0.451 11.757 6.494 1.00 51.11 H new ATOM 0 HA ILE A 27 -2.327 10.335 4.828 1.00 22.34 H new ATOM 0 HB ILE A 27 0.452 11.461 4.303 1.00 61.43 H new ATOM 0 HG12 ILE A 27 -2.372 12.526 3.845 1.00 14.41 H new ATOM 0 HG13 ILE A 27 -1.262 13.106 5.071 1.00 14.41 H new ATOM 0 HG21 ILE A 27 -0.158 11.332 1.941 1.00 1.34 H new ATOM 0 HG22 ILE A 27 -0.126 9.719 2.694 1.00 1.34 H new ATOM 0 HG23 ILE A 27 -1.682 10.518 2.368 1.00 1.34 H new ATOM 0 HD11 ILE A 27 -1.343 14.615 3.178 1.00 34.12 H new ATOM 0 HD12 ILE A 27 0.273 13.886 3.330 1.00 34.12 H new ATOM 0 HD13 ILE A 27 -0.855 13.298 2.086 1.00 34.12 H new ATOM 437 N TYR A 28 0.472 8.978 5.847 1.00 41.45 N ATOM 438 CA TYR A 28 1.190 7.722 6.071 1.00 15.11 C ATOM 439 C TYR A 28 0.240 6.748 6.784 1.00 73.32 C ATOM 440 O TYR A 28 0.021 5.620 6.348 1.00 41.33 O ATOM 441 CB TYR A 28 2.398 8.011 6.986 1.00 34.04 C ATOM 442 CG TYR A 28 3.411 6.888 7.113 1.00 62.03 C ATOM 443 CD1 TYR A 28 4.432 6.724 6.178 1.00 34.24 C ATOM 444 CD2 TYR A 28 3.339 5.987 8.164 1.00 4.20 C ATOM 445 CE1 TYR A 28 5.338 5.691 6.293 1.00 22.31 C ATOM 446 CE2 TYR A 28 4.248 4.959 8.287 1.00 4.05 C ATOM 447 CZ TYR A 28 5.240 4.810 7.355 1.00 61.21 C ATOM 448 OH TYR A 28 6.138 3.771 7.486 1.00 34.35 O ATOM 0 H TYR A 28 0.932 9.790 6.259 1.00 41.45 H new ATOM 0 HA TYR A 28 1.530 7.293 5.128 1.00 15.11 H new ATOM 0 HB2 TYR A 28 2.910 8.897 6.611 1.00 34.04 H new ATOM 0 HB3 TYR A 28 2.026 8.255 7.981 1.00 34.04 H new ATOM 0 HD1 TYR A 28 4.514 7.415 5.352 1.00 34.24 H new ATOM 0 HD2 TYR A 28 2.556 6.093 8.900 1.00 4.20 H new ATOM 0 HE1 TYR A 28 6.120 5.570 5.558 1.00 22.31 H new ATOM 0 HE2 TYR A 28 4.178 4.272 9.117 1.00 4.05 H new ATOM 0 HH TYR A 28 5.923 3.252 8.289 1.00 34.35 H new ATOM 458 N ARG A 29 -0.353 7.246 7.851 1.00 1.03 N ATOM 459 CA ARG A 29 -1.272 6.534 8.688 1.00 71.30 C ATOM 460 C ARG A 29 -2.532 6.081 7.917 1.00 2.32 C ATOM 461 O ARG A 29 -2.995 4.944 8.079 1.00 43.21 O ATOM 462 CB ARG A 29 -1.657 7.461 9.812 1.00 42.15 C ATOM 463 CG ARG A 29 -2.544 6.868 10.843 1.00 14.41 C ATOM 464 CD ARG A 29 -2.831 7.883 11.915 1.00 5.31 C ATOM 465 NE ARG A 29 -3.780 7.400 12.916 1.00 51.43 N ATOM 466 CZ ARG A 29 -4.267 8.152 13.910 1.00 11.41 C ATOM 467 NH1 ARG A 29 -3.889 9.427 14.034 1.00 4.24 N ATOM 468 NH2 ARG A 29 -5.127 7.635 14.773 1.00 13.44 N ATOM 0 H ARG A 29 -0.193 8.203 8.164 1.00 1.03 H new ATOM 0 HA ARG A 29 -0.796 5.627 9.062 1.00 71.30 H new ATOM 0 HB2 ARG A 29 -0.748 7.815 10.298 1.00 42.15 H new ATOM 0 HB3 ARG A 29 -2.152 8.334 9.388 1.00 42.15 H new ATOM 0 HG2 ARG A 29 -3.476 6.535 10.386 1.00 14.41 H new ATOM 0 HG3 ARG A 29 -2.071 5.988 11.280 1.00 14.41 H new ATOM 0 HD2 ARG A 29 -1.898 8.157 12.408 1.00 5.31 H new ATOM 0 HD3 ARG A 29 -3.226 8.789 11.455 1.00 5.31 H new ATOM 0 HE ARG A 29 -4.090 6.430 12.853 1.00 51.43 H new ATOM 0 HH11 ARG A 29 -3.228 9.830 13.370 1.00 4.24 H new ATOM 0 HH12 ARG A 29 -4.262 9.998 14.793 1.00 4.24 H new ATOM 0 HH21 ARG A 29 -5.419 6.662 14.681 1.00 13.44 H new ATOM 0 HH22 ARG A 29 -5.497 8.209 15.530 1.00 13.44 H new ATOM 482 N SER A 30 -3.071 6.966 7.077 1.00 54.13 N ATOM 483 CA SER A 30 -4.254 6.653 6.278 1.00 44.12 C ATOM 484 C SER A 30 -3.944 5.550 5.275 1.00 52.24 C ATOM 485 O SER A 30 -4.810 4.787 4.880 1.00 35.42 O ATOM 486 CB SER A 30 -4.794 7.902 5.568 1.00 23.12 C ATOM 487 OG SER A 30 -5.203 8.899 6.514 1.00 15.44 O ATOM 0 H SER A 30 -2.705 7.907 6.933 1.00 54.13 H new ATOM 0 HA SER A 30 -5.031 6.296 6.954 1.00 44.12 H new ATOM 0 HB2 SER A 30 -4.026 8.312 4.913 1.00 23.12 H new ATOM 0 HB3 SER A 30 -5.639 7.628 4.936 1.00 23.12 H new ATOM 0 HG SER A 30 -4.424 9.424 6.794 1.00 15.44 H new ATOM 493 N PHE A 31 -2.710 5.484 4.861 1.00 5.22 N ATOM 494 CA PHE A 31 -2.279 4.443 3.976 1.00 40.52 C ATOM 495 C PHE A 31 -2.179 3.123 4.713 1.00 34.42 C ATOM 496 O PHE A 31 -2.624 2.080 4.219 1.00 2.20 O ATOM 497 CB PHE A 31 -0.940 4.787 3.358 1.00 54.14 C ATOM 498 CG PHE A 31 -0.343 3.624 2.665 1.00 10.10 C ATOM 499 CD1 PHE A 31 -0.887 3.169 1.483 1.00 2.21 C ATOM 500 CD2 PHE A 31 0.719 2.952 3.228 1.00 23.11 C ATOM 501 CE1 PHE A 31 -0.382 2.061 0.859 1.00 33.23 C ATOM 502 CE2 PHE A 31 1.249 1.842 2.618 1.00 3.41 C ATOM 503 CZ PHE A 31 0.698 1.386 1.423 1.00 22.52 C ATOM 0 H PHE A 31 -1.980 6.146 5.126 1.00 5.22 H new ATOM 0 HA PHE A 31 -3.020 4.349 3.182 1.00 40.52 H new ATOM 0 HB2 PHE A 31 -1.065 5.607 2.651 1.00 54.14 H new ATOM 0 HB3 PHE A 31 -0.260 5.137 4.135 1.00 54.14 H new ATOM 0 HD1 PHE A 31 -1.723 3.694 1.044 1.00 2.21 H new ATOM 0 HD2 PHE A 31 1.139 3.302 4.159 1.00 23.11 H new ATOM 0 HE1 PHE A 31 -0.818 1.712 -0.065 1.00 33.23 H new ATOM 0 HE2 PHE A 31 2.088 1.326 3.062 1.00 3.41 H new ATOM 0 HZ PHE A 31 1.106 0.513 0.936 1.00 22.52 H new ATOM 513 N LEU A 32 -1.584 3.178 5.880 1.00 11.52 N ATOM 514 CA LEU A 32 -1.383 2.027 6.730 1.00 74.22 C ATOM 515 C LEU A 32 -2.686 1.306 7.021 1.00 62.54 C ATOM 516 O LEU A 32 -2.705 0.085 7.171 1.00 70.31 O ATOM 517 CB LEU A 32 -0.725 2.470 8.023 1.00 71.45 C ATOM 518 CG LEU A 32 0.687 3.020 7.905 1.00 63.43 C ATOM 519 CD1 LEU A 32 1.191 3.392 9.272 1.00 43.25 C ATOM 520 CD2 LEU A 32 1.631 2.019 7.223 1.00 41.33 C ATOM 0 H LEU A 32 -1.217 4.044 6.275 1.00 11.52 H new ATOM 0 HA LEU A 32 -0.736 1.323 6.207 1.00 74.22 H new ATOM 0 HB2 LEU A 32 -1.353 3.234 8.482 1.00 71.45 H new ATOM 0 HB3 LEU A 32 -0.706 1.621 8.706 1.00 71.45 H new ATOM 0 HG LEU A 32 0.663 3.909 7.275 1.00 63.43 H new ATOM 0 HD11 LEU A 32 2.204 3.787 9.191 1.00 43.25 H new ATOM 0 HD12 LEU A 32 0.539 4.150 9.706 1.00 43.25 H new ATOM 0 HD13 LEU A 32 1.196 2.509 9.911 1.00 43.25 H new ATOM 0 HD21 LEU A 32 2.631 2.448 7.157 1.00 41.33 H new ATOM 0 HD22 LEU A 32 1.669 1.099 7.806 1.00 41.33 H new ATOM 0 HD23 LEU A 32 1.264 1.798 6.221 1.00 41.33 H new ATOM 532 N GLU A 33 -3.769 2.049 7.057 1.00 3.05 N ATOM 533 CA GLU A 33 -5.055 1.479 7.339 1.00 64.33 C ATOM 534 C GLU A 33 -5.576 0.708 6.112 1.00 20.40 C ATOM 535 O GLU A 33 -6.242 -0.312 6.245 1.00 55.53 O ATOM 536 CB GLU A 33 -6.022 2.572 7.785 1.00 24.31 C ATOM 537 CG GLU A 33 -6.743 3.313 6.672 1.00 34.25 C ATOM 538 CD GLU A 33 -7.603 4.419 7.201 1.00 52.44 C ATOM 539 OE1 GLU A 33 -8.599 4.128 7.903 1.00 52.53 O ATOM 540 OE2 GLU A 33 -7.327 5.590 6.910 1.00 71.41 O ATOM 0 H GLU A 33 -3.778 3.056 6.892 1.00 3.05 H new ATOM 0 HA GLU A 33 -4.967 0.764 8.157 1.00 64.33 H new ATOM 0 HB2 GLU A 33 -6.769 2.124 8.441 1.00 24.31 H new ATOM 0 HB3 GLU A 33 -5.469 3.299 8.381 1.00 24.31 H new ATOM 0 HG2 GLU A 33 -6.011 3.724 5.976 1.00 34.25 H new ATOM 0 HG3 GLU A 33 -7.359 2.612 6.109 1.00 34.25 H new ATOM 547 N ILE A 34 -5.210 1.180 4.921 1.00 65.11 N ATOM 548 CA ILE A 34 -5.597 0.573 3.680 1.00 2.43 C ATOM 549 C ILE A 34 -4.884 -0.734 3.535 1.00 24.33 C ATOM 550 O ILE A 34 -5.483 -1.737 3.176 1.00 1.04 O ATOM 551 CB ILE A 34 -5.225 1.497 2.497 1.00 54.25 C ATOM 552 CG1 ILE A 34 -6.004 2.800 2.592 1.00 33.05 C ATOM 553 CG2 ILE A 34 -5.434 0.799 1.152 1.00 51.44 C ATOM 554 CD1 ILE A 34 -5.543 3.857 1.631 1.00 63.32 C ATOM 0 H ILE A 34 -4.627 2.009 4.806 1.00 65.11 H new ATOM 0 HA ILE A 34 -6.675 0.413 3.677 1.00 2.43 H new ATOM 0 HB ILE A 34 -4.163 1.733 2.559 1.00 54.25 H new ATOM 0 HG12 ILE A 34 -7.059 2.595 2.412 1.00 33.05 H new ATOM 0 HG13 ILE A 34 -5.923 3.187 3.608 1.00 33.05 H new ATOM 0 HG21 ILE A 34 -5.163 1.478 0.344 1.00 51.44 H new ATOM 0 HG22 ILE A 34 -4.808 -0.092 1.103 1.00 51.44 H new ATOM 0 HG23 ILE A 34 -6.481 0.513 1.049 1.00 51.44 H new ATOM 0 HD11 ILE A 34 -6.147 4.755 1.760 1.00 63.32 H new ATOM 0 HD12 ILE A 34 -4.496 4.093 1.824 1.00 63.32 H new ATOM 0 HD13 ILE A 34 -5.650 3.492 0.610 1.00 63.32 H new ATOM 566 N LEU A 35 -3.606 -0.720 3.839 1.00 5.12 N ATOM 567 CA LEU A 35 -2.796 -1.879 3.733 1.00 72.43 C ATOM 568 C LEU A 35 -3.247 -2.901 4.788 1.00 45.20 C ATOM 569 O LEU A 35 -3.320 -4.100 4.505 1.00 54.01 O ATOM 570 CB LEU A 35 -1.340 -1.464 3.911 1.00 23.21 C ATOM 571 CG LEU A 35 -0.276 -2.291 3.187 1.00 64.35 C ATOM 572 CD1 LEU A 35 -0.215 -3.719 3.686 1.00 45.00 C ATOM 573 CD2 LEU A 35 -0.489 -2.260 1.673 1.00 61.33 C ATOM 0 H LEU A 35 -3.110 0.109 4.167 1.00 5.12 H new ATOM 0 HA LEU A 35 -2.897 -2.351 2.756 1.00 72.43 H new ATOM 0 HB2 LEU A 35 -1.243 -0.429 3.583 1.00 23.21 H new ATOM 0 HB3 LEU A 35 -1.113 -1.483 4.977 1.00 23.21 H new ATOM 0 HG LEU A 35 0.685 -1.829 3.413 1.00 64.35 H new ATOM 0 HD11 LEU A 35 0.556 -4.263 3.140 1.00 45.00 H new ATOM 0 HD12 LEU A 35 0.023 -3.723 4.750 1.00 45.00 H new ATOM 0 HD13 LEU A 35 -1.180 -4.201 3.528 1.00 45.00 H new ATOM 0 HD21 LEU A 35 0.282 -2.856 1.185 1.00 61.33 H new ATOM 0 HD22 LEU A 35 -1.470 -2.671 1.435 1.00 61.33 H new ATOM 0 HD23 LEU A 35 -0.431 -1.231 1.318 1.00 61.33 H new ATOM 585 N HIS A 36 -3.595 -2.405 5.976 1.00 52.33 N ATOM 586 CA HIS A 36 -4.112 -3.249 7.046 1.00 12.02 C ATOM 587 C HIS A 36 -5.394 -3.913 6.569 1.00 35.13 C ATOM 588 O HIS A 36 -5.528 -5.125 6.613 1.00 24.30 O ATOM 589 CB HIS A 36 -4.388 -2.407 8.302 1.00 13.43 C ATOM 590 CG HIS A 36 -4.770 -3.205 9.511 1.00 73.44 C ATOM 591 ND1 HIS A 36 -6.037 -3.241 10.052 1.00 61.44 N ATOM 592 CD2 HIS A 36 -4.005 -3.983 10.303 1.00 71.40 C ATOM 593 CE1 HIS A 36 -6.003 -4.018 11.129 1.00 12.43 C ATOM 594 NE2 HIS A 36 -4.784 -4.498 11.330 1.00 11.34 N ATOM 0 H HIS A 36 -3.526 -1.417 6.219 1.00 52.33 H new ATOM 0 HA HIS A 36 -3.375 -4.011 7.301 1.00 12.02 H new ATOM 0 HB2 HIS A 36 -3.499 -1.821 8.535 1.00 13.43 H new ATOM 0 HB3 HIS A 36 -5.187 -1.699 8.082 1.00 13.43 H new ATOM 0 HD2 HIS A 36 -2.952 -4.175 10.161 1.00 71.40 H new ATOM 0 HE1 HIS A 36 -6.855 -4.230 11.757 1.00 12.43 H new ATOM 0 HE2 HIS A 36 -4.481 -5.117 12.082 1.00 11.34 H new ATOM 602 N THR A 37 -6.292 -3.103 6.061 1.00 70.03 N ATOM 603 CA THR A 37 -7.539 -3.552 5.500 1.00 61.23 C ATOM 604 C THR A 37 -7.320 -4.572 4.372 1.00 4.41 C ATOM 605 O THR A 37 -7.993 -5.597 4.310 1.00 74.34 O ATOM 606 CB THR A 37 -8.363 -2.313 5.021 1.00 24.41 C ATOM 607 OG1 THR A 37 -9.213 -1.812 6.055 1.00 55.03 O ATOM 608 CG2 THR A 37 -9.116 -2.512 3.709 1.00 55.34 C ATOM 0 H THR A 37 -6.171 -2.091 6.027 1.00 70.03 H new ATOM 0 HA THR A 37 -8.109 -4.073 6.269 1.00 61.23 H new ATOM 0 HB THR A 37 -7.617 -1.551 4.795 1.00 24.41 H new ATOM 0 HG1 THR A 37 -9.712 -1.037 5.722 1.00 55.03 H new ATOM 0 HG21 THR A 37 -9.658 -1.600 3.458 1.00 55.34 H new ATOM 0 HG22 THR A 37 -8.407 -2.743 2.914 1.00 55.34 H new ATOM 0 HG23 THR A 37 -9.822 -3.335 3.816 1.00 55.34 H new ATOM 616 N TYR A 38 -6.355 -4.303 3.537 1.00 74.33 N ATOM 617 CA TYR A 38 -6.046 -5.131 2.413 1.00 42.11 C ATOM 618 C TYR A 38 -5.636 -6.536 2.876 1.00 44.14 C ATOM 619 O TYR A 38 -6.157 -7.536 2.389 1.00 54.11 O ATOM 620 CB TYR A 38 -4.936 -4.463 1.608 1.00 45.51 C ATOM 621 CG TYR A 38 -4.654 -5.107 0.306 1.00 0.13 C ATOM 622 CD1 TYR A 38 -5.409 -4.780 -0.786 1.00 32.42 C ATOM 623 CD2 TYR A 38 -3.643 -6.039 0.165 1.00 3.31 C ATOM 624 CE1 TYR A 38 -5.165 -5.370 -2.020 1.00 33.31 C ATOM 625 CE2 TYR A 38 -3.389 -6.638 -1.043 1.00 42.30 C ATOM 626 CZ TYR A 38 -4.145 -6.305 -2.137 1.00 34.54 C ATOM 627 OH TYR A 38 -3.896 -6.925 -3.339 1.00 31.23 O ATOM 0 H TYR A 38 -5.752 -3.485 3.624 1.00 74.33 H new ATOM 0 HA TYR A 38 -6.926 -5.246 1.780 1.00 42.11 H new ATOM 0 HB2 TYR A 38 -5.206 -3.422 1.434 1.00 45.51 H new ATOM 0 HB3 TYR A 38 -4.023 -4.460 2.204 1.00 45.51 H new ATOM 0 HD1 TYR A 38 -6.204 -4.055 -0.688 1.00 32.42 H new ATOM 0 HD2 TYR A 38 -3.041 -6.301 1.023 1.00 3.31 H new ATOM 0 HE1 TYR A 38 -5.763 -5.104 -2.879 1.00 33.31 H new ATOM 0 HE2 TYR A 38 -2.598 -7.368 -1.131 1.00 42.30 H new ATOM 0 HH TYR A 38 -3.146 -7.548 -3.237 1.00 31.23 H new ATOM 637 N GLN A 39 -4.760 -6.595 3.860 1.00 13.11 N ATOM 638 CA GLN A 39 -4.274 -7.865 4.371 1.00 41.20 C ATOM 639 C GLN A 39 -5.322 -8.578 5.226 1.00 10.32 C ATOM 640 O GLN A 39 -5.312 -9.800 5.350 1.00 51.13 O ATOM 641 CB GLN A 39 -3.007 -7.654 5.181 1.00 2.31 C ATOM 642 CG GLN A 39 -1.852 -7.081 4.383 1.00 3.20 C ATOM 643 CD GLN A 39 -1.419 -7.971 3.234 1.00 15.15 C ATOM 644 OE1 GLN A 39 -1.904 -7.856 2.110 1.00 74.32 O ATOM 645 NE2 GLN A 39 -0.507 -8.850 3.499 1.00 42.42 N ATOM 0 H GLN A 39 -4.368 -5.776 4.324 1.00 13.11 H new ATOM 0 HA GLN A 39 -4.059 -8.500 3.511 1.00 41.20 H new ATOM 0 HB2 GLN A 39 -3.227 -6.985 6.013 1.00 2.31 H new ATOM 0 HB3 GLN A 39 -2.700 -8.607 5.611 1.00 2.31 H new ATOM 0 HG2 GLN A 39 -2.139 -6.106 3.990 1.00 3.20 H new ATOM 0 HG3 GLN A 39 -1.004 -6.920 5.048 1.00 3.20 H new ATOM 0 HE21 GLN A 39 -0.125 -8.920 4.442 1.00 42.42 H new ATOM 0 HE22 GLN A 39 -0.170 -9.473 2.765 1.00 42.42 H new ATOM 904 N GLU A 55 -8.773 -5.058 -5.275 1.00 40.13 N ATOM 905 CA GLU A 55 -7.459 -4.560 -5.618 1.00 32.51 C ATOM 906 C GLU A 55 -7.539 -3.247 -6.399 1.00 50.43 C ATOM 907 O GLU A 55 -6.807 -2.299 -6.120 1.00 34.32 O ATOM 908 CB GLU A 55 -6.774 -5.620 -6.437 1.00 72.40 C ATOM 909 CG GLU A 55 -5.330 -5.369 -6.694 1.00 21.45 C ATOM 910 CD GLU A 55 -4.718 -6.441 -7.550 1.00 61.53 C ATOM 911 OE1 GLU A 55 -4.522 -7.566 -7.066 1.00 35.01 O ATOM 912 OE2 GLU A 55 -4.427 -6.188 -8.747 1.00 61.33 O ATOM 0 HA GLU A 55 -6.897 -4.348 -4.709 1.00 32.51 H new ATOM 0 HB2 GLU A 55 -6.877 -6.578 -5.927 1.00 72.40 H new ATOM 0 HB3 GLU A 55 -7.289 -5.711 -7.393 1.00 72.40 H new ATOM 0 HG2 GLU A 55 -5.211 -4.402 -7.183 1.00 21.45 H new ATOM 0 HG3 GLU A 55 -4.797 -5.314 -5.745 1.00 21.45 H new ATOM 919 N GLU A 56 -8.462 -3.192 -7.330 1.00 62.03 N ATOM 920 CA GLU A 56 -8.667 -2.023 -8.150 1.00 13.31 C ATOM 921 C GLU A 56 -9.118 -0.815 -7.306 1.00 1.00 C ATOM 922 O GLU A 56 -8.638 0.305 -7.511 1.00 33.00 O ATOM 923 CB GLU A 56 -9.691 -2.337 -9.217 1.00 64.31 C ATOM 924 CG GLU A 56 -9.884 -1.243 -10.230 1.00 62.23 C ATOM 925 CD GLU A 56 -10.932 -1.599 -11.226 1.00 71.01 C ATOM 926 OE1 GLU A 56 -10.686 -2.483 -12.062 1.00 32.10 O ATOM 927 OE2 GLU A 56 -12.026 -1.001 -11.193 1.00 52.30 O ATOM 0 H GLU A 56 -9.096 -3.963 -7.541 1.00 62.03 H new ATOM 0 HA GLU A 56 -7.720 -1.755 -8.619 1.00 13.31 H new ATOM 0 HB2 GLU A 56 -9.391 -3.248 -9.736 1.00 64.31 H new ATOM 0 HB3 GLU A 56 -10.647 -2.544 -8.737 1.00 64.31 H new ATOM 0 HG2 GLU A 56 -10.163 -0.320 -9.721 1.00 62.23 H new ATOM 0 HG3 GLU A 56 -8.942 -1.052 -10.744 1.00 62.23 H new ATOM 934 N GLU A 57 -10.002 -1.056 -6.339 1.00 12.35 N ATOM 935 CA GLU A 57 -10.516 0.017 -5.497 1.00 64.22 C ATOM 936 C GLU A 57 -9.497 0.323 -4.393 1.00 50.21 C ATOM 937 O GLU A 57 -9.442 1.430 -3.861 1.00 33.40 O ATOM 938 CB GLU A 57 -11.902 -0.338 -4.933 1.00 53.01 C ATOM 939 CG GLU A 57 -11.860 -1.120 -3.669 1.00 11.30 C ATOM 940 CD GLU A 57 -13.218 -1.581 -3.185 1.00 73.31 C ATOM 941 OE1 GLU A 57 -13.934 -0.791 -2.542 1.00 51.20 O ATOM 942 OE2 GLU A 57 -13.587 -2.768 -3.411 1.00 0.31 O ATOM 0 H GLU A 57 -10.374 -1.981 -6.122 1.00 12.35 H new ATOM 0 HA GLU A 57 -10.652 0.918 -6.095 1.00 64.22 H new ATOM 0 HB2 GLU A 57 -12.459 0.583 -4.760 1.00 53.01 H new ATOM 0 HB3 GLU A 57 -12.452 -0.907 -5.682 1.00 53.01 H new ATOM 0 HG2 GLU A 57 -11.222 -1.992 -3.814 1.00 11.30 H new ATOM 0 HG3 GLU A 57 -11.396 -0.512 -2.893 1.00 11.30 H new ATOM 949 N VAL A 58 -8.672 -0.678 -4.084 1.00 3.23 N ATOM 950 CA VAL A 58 -7.578 -0.542 -3.180 1.00 30.54 C ATOM 951 C VAL A 58 -6.618 0.472 -3.753 1.00 33.41 C ATOM 952 O VAL A 58 -6.278 1.468 -3.104 1.00 10.24 O ATOM 953 CB VAL A 58 -6.847 -1.906 -3.001 1.00 42.24 C ATOM 954 CG1 VAL A 58 -5.492 -1.742 -2.379 1.00 23.11 C ATOM 955 CG2 VAL A 58 -7.661 -2.848 -2.163 1.00 54.35 C ATOM 0 H VAL A 58 -8.765 -1.616 -4.474 1.00 3.23 H new ATOM 0 HA VAL A 58 -7.944 -0.218 -2.206 1.00 30.54 H new ATOM 0 HB VAL A 58 -6.721 -2.322 -4.001 1.00 42.24 H new ATOM 0 HG11 VAL A 58 -5.019 -2.719 -2.273 1.00 23.11 H new ATOM 0 HG12 VAL A 58 -4.875 -1.107 -3.014 1.00 23.11 H new ATOM 0 HG13 VAL A 58 -5.596 -1.281 -1.397 1.00 23.11 H new ATOM 0 HG21 VAL A 58 -7.127 -3.792 -2.054 1.00 54.35 H new ATOM 0 HG22 VAL A 58 -7.827 -2.409 -1.179 1.00 54.35 H new ATOM 0 HG23 VAL A 58 -8.621 -3.028 -2.646 1.00 54.35 H new ATOM 965 N PHE A 59 -6.245 0.236 -5.009 1.00 14.53 N ATOM 966 CA PHE A 59 -5.329 1.084 -5.729 1.00 11.33 C ATOM 967 C PHE A 59 -5.865 2.507 -5.805 1.00 35.14 C ATOM 968 O PHE A 59 -5.102 3.446 -5.767 1.00 32.30 O ATOM 969 CB PHE A 59 -5.047 0.510 -7.127 1.00 42.53 C ATOM 970 CG PHE A 59 -3.970 1.243 -7.891 1.00 70.05 C ATOM 971 CD1 PHE A 59 -2.632 0.960 -7.661 1.00 73.23 C ATOM 972 CD2 PHE A 59 -4.292 2.208 -8.835 1.00 61.24 C ATOM 973 CE1 PHE A 59 -1.637 1.625 -8.352 1.00 0.13 C ATOM 974 CE2 PHE A 59 -3.301 2.876 -9.530 1.00 42.41 C ATOM 975 CZ PHE A 59 -1.972 2.584 -9.288 1.00 0.03 C ATOM 0 H PHE A 59 -6.580 -0.560 -5.551 1.00 14.53 H new ATOM 0 HA PHE A 59 -4.383 1.116 -5.188 1.00 11.33 H new ATOM 0 HB2 PHE A 59 -4.758 -0.536 -7.026 1.00 42.53 H new ATOM 0 HB3 PHE A 59 -5.968 0.531 -7.709 1.00 42.53 H new ATOM 0 HD1 PHE A 59 -2.364 0.210 -6.932 1.00 73.23 H new ATOM 0 HD2 PHE A 59 -5.329 2.440 -9.029 1.00 61.24 H new ATOM 0 HE1 PHE A 59 -0.599 1.395 -8.161 1.00 0.13 H new ATOM 0 HE2 PHE A 59 -3.565 3.625 -10.261 1.00 42.41 H new ATOM 0 HZ PHE A 59 -1.197 3.105 -9.830 1.00 0.03 H new ATOM 985 N THR A 60 -7.182 2.655 -5.863 1.00 35.51 N ATOM 986 CA THR A 60 -7.813 3.905 -5.864 1.00 14.24 C ATOM 987 C THR A 60 -7.508 4.698 -4.579 1.00 33.45 C ATOM 988 O THR A 60 -7.110 5.873 -4.652 1.00 24.11 O ATOM 989 CB THR A 60 -9.303 3.678 -5.986 1.00 71.21 C ATOM 990 OG1 THR A 60 -9.592 3.062 -7.244 1.00 21.21 O ATOM 991 CG2 THR A 60 -10.026 4.955 -5.852 1.00 61.22 C ATOM 0 H THR A 60 -7.830 1.869 -5.911 1.00 35.51 H new ATOM 0 HA THR A 60 -7.439 4.492 -6.703 1.00 14.24 H new ATOM 0 HB THR A 60 -9.634 3.016 -5.186 1.00 71.21 H new ATOM 0 HG1 THR A 60 -9.267 2.137 -7.238 1.00 21.21 H new ATOM 0 HG21 THR A 60 -11.098 4.778 -5.942 1.00 61.22 H new ATOM 0 HG22 THR A 60 -9.811 5.394 -4.878 1.00 61.22 H new ATOM 0 HG23 THR A 60 -9.705 5.639 -6.637 1.00 61.22 H new ATOM 999 N GLU A 61 -7.631 4.052 -3.421 1.00 33.05 N ATOM 1000 CA GLU A 61 -7.428 4.731 -2.176 1.00 74.34 C ATOM 1001 C GLU A 61 -5.969 5.051 -1.985 1.00 11.05 C ATOM 1002 O GLU A 61 -5.620 6.078 -1.422 1.00 13.25 O ATOM 1003 CB GLU A 61 -7.948 3.903 -1.031 1.00 43.54 C ATOM 1004 CG GLU A 61 -9.436 3.775 -1.058 1.00 52.42 C ATOM 1005 CD GLU A 61 -10.131 5.100 -0.883 1.00 12.25 C ATOM 1006 OE1 GLU A 61 -10.037 5.695 0.219 1.00 51.25 O ATOM 1007 OE2 GLU A 61 -10.779 5.576 -1.842 1.00 22.50 O ATOM 0 H GLU A 61 -7.870 3.064 -3.335 1.00 33.05 H new ATOM 0 HA GLU A 61 -7.984 5.668 -2.197 1.00 74.34 H new ATOM 0 HB2 GLU A 61 -7.499 2.911 -1.069 1.00 43.54 H new ATOM 0 HB3 GLU A 61 -7.641 4.356 -0.088 1.00 43.54 H new ATOM 0 HG2 GLU A 61 -9.742 3.330 -2.005 1.00 52.42 H new ATOM 0 HG3 GLU A 61 -9.754 3.094 -0.268 1.00 52.42 H new ATOM 1014 N VAL A 62 -5.125 4.177 -2.498 1.00 14.33 N ATOM 1015 CA VAL A 62 -3.688 4.354 -2.441 1.00 13.01 C ATOM 1016 C VAL A 62 -3.265 5.476 -3.407 1.00 75.10 C ATOM 1017 O VAL A 62 -2.409 6.292 -3.092 1.00 5.12 O ATOM 1018 CB VAL A 62 -2.950 3.031 -2.772 1.00 54.22 C ATOM 1019 CG1 VAL A 62 -1.462 3.180 -2.592 1.00 51.34 C ATOM 1020 CG2 VAL A 62 -3.455 1.915 -1.882 1.00 2.23 C ATOM 0 H VAL A 62 -5.419 3.321 -2.968 1.00 14.33 H new ATOM 0 HA VAL A 62 -3.410 4.638 -1.426 1.00 13.01 H new ATOM 0 HB VAL A 62 -3.152 2.787 -3.815 1.00 54.22 H new ATOM 0 HG11 VAL A 62 -0.970 2.237 -2.831 1.00 51.34 H new ATOM 0 HG12 VAL A 62 -1.092 3.961 -3.256 1.00 51.34 H new ATOM 0 HG13 VAL A 62 -1.246 3.450 -1.558 1.00 51.34 H new ATOM 0 HG21 VAL A 62 -2.930 0.991 -2.124 1.00 2.23 H new ATOM 0 HG22 VAL A 62 -3.275 2.172 -0.838 1.00 2.23 H new ATOM 0 HG23 VAL A 62 -4.524 1.777 -2.043 1.00 2.23 H new ATOM 1030 N ALA A 63 -3.914 5.534 -4.560 1.00 60.51 N ATOM 1031 CA ALA A 63 -3.680 6.600 -5.537 1.00 3.21 C ATOM 1032 C ALA A 63 -4.108 7.927 -4.957 1.00 43.41 C ATOM 1033 O ALA A 63 -3.516 8.942 -5.221 1.00 61.20 O ATOM 1034 CB ALA A 63 -4.421 6.324 -6.841 1.00 62.01 C ATOM 0 H ALA A 63 -4.614 4.851 -4.849 1.00 60.51 H new ATOM 0 HA ALA A 63 -2.614 6.634 -5.762 1.00 3.21 H new ATOM 0 HB1 ALA A 63 -4.229 7.132 -7.547 1.00 62.01 H new ATOM 0 HB2 ALA A 63 -4.074 5.382 -7.265 1.00 62.01 H new ATOM 0 HB3 ALA A 63 -5.491 6.261 -6.645 1.00 62.01 H new ATOM 1040 N ASN A 64 -5.142 7.871 -4.157 1.00 25.42 N ATOM 1041 CA ASN A 64 -5.700 9.011 -3.430 1.00 50.24 C ATOM 1042 C ASN A 64 -4.812 9.422 -2.271 1.00 35.31 C ATOM 1043 O ASN A 64 -4.752 10.593 -1.894 1.00 41.24 O ATOM 1044 CB ASN A 64 -7.107 8.638 -2.976 1.00 14.01 C ATOM 1045 CG ASN A 64 -7.571 9.229 -1.656 1.00 34.15 C ATOM 1046 OD1 ASN A 64 -8.113 10.341 -1.594 1.00 71.31 O ATOM 1047 ND2 ASN A 64 -7.409 8.461 -0.603 1.00 4.34 N ATOM 0 H ASN A 64 -5.646 7.002 -3.979 1.00 25.42 H new ATOM 0 HA ASN A 64 -5.751 9.882 -4.083 1.00 50.24 H new ATOM 0 HB2 ASN A 64 -7.808 8.944 -3.752 1.00 14.01 H new ATOM 0 HB3 ASN A 64 -7.166 7.552 -2.903 1.00 14.01 H new ATOM 0 HD21 ASN A 64 -7.735 8.774 0.311 1.00 4.34 H new ATOM 0 HD22 ASN A 64 -6.957 7.552 -0.700 1.00 4.34 H new ATOM 1054 N LEU A 65 -4.125 8.468 -1.741 1.00 14.11 N ATOM 1055 CA LEU A 65 -3.249 8.649 -0.645 1.00 70.34 C ATOM 1056 C LEU A 65 -2.033 9.439 -1.154 1.00 31.24 C ATOM 1057 O LEU A 65 -1.644 10.456 -0.589 1.00 63.23 O ATOM 1058 CB LEU A 65 -2.830 7.257 -0.206 1.00 53.34 C ATOM 1059 CG LEU A 65 -2.319 7.014 1.178 1.00 25.02 C ATOM 1060 CD1 LEU A 65 -1.044 7.715 1.416 1.00 23.52 C ATOM 1061 CD2 LEU A 65 -3.323 7.343 2.224 1.00 63.25 C ATOM 0 H LEU A 65 -4.163 7.505 -2.076 1.00 14.11 H new ATOM 0 HA LEU A 65 -3.704 9.188 0.185 1.00 70.34 H new ATOM 0 HB2 LEU A 65 -3.690 6.603 -0.350 1.00 53.34 H new ATOM 0 HB3 LEU A 65 -2.056 6.922 -0.897 1.00 53.34 H new ATOM 0 HG LEU A 65 -2.129 5.943 1.254 1.00 25.02 H new ATOM 0 HD11 LEU A 65 -0.703 7.515 2.432 1.00 23.52 H new ATOM 0 HD12 LEU A 65 -0.296 7.361 0.706 1.00 23.52 H new ATOM 0 HD13 LEU A 65 -1.189 8.788 1.286 1.00 23.52 H new ATOM 0 HD21 LEU A 65 -2.899 7.148 3.209 1.00 63.25 H new ATOM 0 HD22 LEU A 65 -3.596 8.396 2.148 1.00 63.25 H new ATOM 0 HD23 LEU A 65 -4.211 6.727 2.083 1.00 63.25 H new ATOM 1073 N PHE A 66 -1.466 8.967 -2.244 1.00 23.24 N ATOM 1074 CA PHE A 66 -0.309 9.590 -2.837 1.00 54.05 C ATOM 1075 C PHE A 66 -0.728 10.278 -4.135 1.00 13.23 C ATOM 1076 O PHE A 66 -0.171 9.993 -5.201 1.00 22.11 O ATOM 1077 CB PHE A 66 0.768 8.541 -3.166 1.00 4.43 C ATOM 1078 CG PHE A 66 1.074 7.558 -2.065 1.00 11.01 C ATOM 1079 CD1 PHE A 66 1.745 7.952 -0.933 1.00 43.54 C ATOM 1080 CD2 PHE A 66 0.692 6.234 -2.179 1.00 44.13 C ATOM 1081 CE1 PHE A 66 2.025 7.050 0.068 1.00 24.33 C ATOM 1082 CE2 PHE A 66 0.972 5.328 -1.183 1.00 13.22 C ATOM 1083 CZ PHE A 66 1.638 5.736 -0.058 1.00 70.23 C ATOM 0 H PHE A 66 -1.797 8.140 -2.742 1.00 23.24 H new ATOM 0 HA PHE A 66 0.100 10.310 -2.129 1.00 54.05 H new ATOM 0 HB2 PHE A 66 0.451 7.985 -4.048 1.00 4.43 H new ATOM 0 HB3 PHE A 66 1.688 9.061 -3.431 1.00 4.43 H new ATOM 0 HD1 PHE A 66 2.056 8.981 -0.827 1.00 43.54 H new ATOM 0 HD2 PHE A 66 0.166 5.906 -3.063 1.00 44.13 H new ATOM 0 HE1 PHE A 66 2.550 7.375 0.954 1.00 24.33 H new ATOM 0 HE2 PHE A 66 0.667 4.297 -1.288 1.00 13.22 H new ATOM 0 HZ PHE A 66 1.859 5.028 0.728 1.00 70.23 H new ATOM 1093 N ARG A 67 -1.712 11.170 -4.055 1.00 14.42 N ATOM 1094 CA ARG A 67 -2.193 11.862 -5.249 1.00 25.14 C ATOM 1095 C ARG A 67 -1.075 12.689 -5.861 1.00 10.40 C ATOM 1096 O ARG A 67 -0.347 13.384 -5.149 1.00 32.12 O ATOM 1097 CB ARG A 67 -3.391 12.782 -4.981 1.00 3.52 C ATOM 1098 CG ARG A 67 -4.694 12.127 -4.634 1.00 24.31 C ATOM 1099 CD ARG A 67 -5.249 11.351 -5.819 1.00 42.25 C ATOM 1100 NE ARG A 67 -5.376 12.144 -7.038 1.00 74.44 N ATOM 1101 CZ ARG A 67 -5.800 11.658 -8.209 1.00 4.43 C ATOM 1102 NH1 ARG A 67 -6.301 10.423 -8.278 1.00 44.44 N ATOM 1103 NH2 ARG A 67 -5.762 12.414 -9.296 1.00 14.14 N ATOM 0 H ARG A 67 -2.186 11.429 -3.190 1.00 14.42 H new ATOM 0 HA ARG A 67 -2.524 11.082 -5.934 1.00 25.14 H new ATOM 0 HB2 ARG A 67 -3.124 13.455 -4.167 1.00 3.52 H new ATOM 0 HB3 ARG A 67 -3.548 13.399 -5.866 1.00 3.52 H new ATOM 0 HG2 ARG A 67 -4.552 11.454 -3.789 1.00 24.31 H new ATOM 0 HG3 ARG A 67 -5.413 12.884 -4.322 1.00 24.31 H new ATOM 0 HD2 ARG A 67 -4.600 10.498 -6.018 1.00 42.25 H new ATOM 0 HD3 ARG A 67 -6.228 10.952 -5.553 1.00 42.25 H new ATOM 0 HE ARG A 67 -5.125 13.132 -6.993 1.00 74.44 H new ATOM 0 HH11 ARG A 67 -6.361 9.849 -7.437 1.00 44.44 H new ATOM 0 HH12 ARG A 67 -6.624 10.053 -9.172 1.00 44.44 H new ATOM 0 HH21 ARG A 67 -5.409 13.369 -9.241 1.00 14.14 H new ATOM 0 HH22 ARG A 67 -6.086 12.041 -10.188 1.00 14.14 H new ATOM 1117 N GLY A 68 -0.909 12.580 -7.158 1.00 20.20 N ATOM 1118 CA GLY A 68 0.121 13.323 -7.852 1.00 41.12 C ATOM 1119 C GLY A 68 1.429 12.563 -7.881 1.00 71.04 C ATOM 1120 O GLY A 68 2.224 12.690 -8.812 1.00 34.41 O ATOM 0 H GLY A 68 -1.476 11.981 -7.758 1.00 20.20 H new ATOM 0 HA2 GLY A 68 -0.203 13.530 -8.872 1.00 41.12 H new ATOM 0 HA3 GLY A 68 0.269 14.286 -7.363 1.00 41.12 H new ATOM 1124 N GLN A 69 1.650 11.767 -6.869 1.00 14.30 N ATOM 1125 CA GLN A 69 2.832 10.974 -6.736 1.00 12.21 C ATOM 1126 C GLN A 69 2.643 9.639 -7.443 1.00 33.32 C ATOM 1127 O GLN A 69 2.630 8.580 -6.808 1.00 32.14 O ATOM 1128 CB GLN A 69 3.102 10.743 -5.262 1.00 63.44 C ATOM 1129 CG GLN A 69 3.322 12.010 -4.458 1.00 62.52 C ATOM 1130 CD GLN A 69 4.612 12.688 -4.776 1.00 54.21 C ATOM 1131 OE1 GLN A 69 5.644 12.397 -4.182 1.00 12.44 O ATOM 1132 NE2 GLN A 69 4.565 13.611 -5.658 1.00 74.00 N ATOM 0 H GLN A 69 0.993 11.653 -6.097 1.00 14.30 H new ATOM 0 HA GLN A 69 3.677 11.493 -7.189 1.00 12.21 H new ATOM 0 HB2 GLN A 69 2.262 10.196 -4.833 1.00 63.44 H new ATOM 0 HB3 GLN A 69 3.981 10.107 -5.162 1.00 63.44 H new ATOM 0 HG2 GLN A 69 2.500 12.700 -4.646 1.00 62.52 H new ATOM 0 HG3 GLN A 69 3.298 11.768 -3.396 1.00 62.52 H new ATOM 0 HE21 GLN A 69 3.685 13.822 -6.129 1.00 74.00 H new ATOM 0 HE22 GLN A 69 5.407 14.137 -5.891 1.00 74.00 H new ATOM 1141 N GLU A 70 2.512 9.691 -8.767 1.00 44.15 N ATOM 1142 CA GLU A 70 2.321 8.492 -9.593 1.00 33.11 C ATOM 1143 C GLU A 70 3.499 7.556 -9.421 1.00 72.20 C ATOM 1144 O GLU A 70 3.359 6.343 -9.497 1.00 31.00 O ATOM 1145 CB GLU A 70 2.175 8.856 -11.061 1.00 0.33 C ATOM 1146 CG GLU A 70 1.034 9.796 -11.368 1.00 14.52 C ATOM 1147 CD GLU A 70 0.972 10.120 -12.830 1.00 3.23 C ATOM 1148 OE1 GLU A 70 1.811 10.905 -13.307 1.00 53.43 O ATOM 1149 OE2 GLU A 70 0.078 9.602 -13.540 1.00 65.43 O ATOM 0 H GLU A 70 2.535 10.561 -9.300 1.00 44.15 H new ATOM 0 HA GLU A 70 1.406 7.998 -9.266 1.00 33.11 H new ATOM 0 HB2 GLU A 70 3.105 9.311 -11.403 1.00 0.33 H new ATOM 0 HB3 GLU A 70 2.038 7.940 -11.636 1.00 0.33 H new ATOM 0 HG2 GLU A 70 0.093 9.344 -11.054 1.00 14.52 H new ATOM 0 HG3 GLU A 70 1.153 10.715 -10.795 1.00 14.52 H new ATOM 1156 N ASP A 71 4.638 8.154 -9.162 1.00 24.33 N ATOM 1157 CA ASP A 71 5.888 7.468 -8.887 1.00 52.31 C ATOM 1158 C ASP A 71 5.709 6.453 -7.757 1.00 32.21 C ATOM 1159 O ASP A 71 6.111 5.291 -7.867 1.00 72.31 O ATOM 1160 CB ASP A 71 6.924 8.516 -8.482 1.00 32.25 C ATOM 1161 CG ASP A 71 8.261 7.937 -8.132 1.00 4.54 C ATOM 1162 OD1 ASP A 71 9.105 7.791 -9.034 1.00 51.24 O ATOM 1163 OD2 ASP A 71 8.509 7.649 -6.949 1.00 1.03 O ATOM 0 H ASP A 71 4.728 9.170 -9.135 1.00 24.33 H new ATOM 0 HA ASP A 71 6.215 6.928 -9.776 1.00 52.31 H new ATOM 0 HB2 ASP A 71 7.048 9.226 -9.299 1.00 32.25 H new ATOM 0 HB3 ASP A 71 6.546 9.077 -7.627 1.00 32.25 H new ATOM 1168 N LEU A 72 5.045 6.886 -6.703 1.00 15.25 N ATOM 1169 CA LEU A 72 4.817 6.047 -5.547 1.00 31.31 C ATOM 1170 C LEU A 72 3.742 5.001 -5.844 1.00 35.32 C ATOM 1171 O LEU A 72 3.775 3.879 -5.332 1.00 4.42 O ATOM 1172 CB LEU A 72 4.421 6.899 -4.331 1.00 4.05 C ATOM 1173 CG LEU A 72 5.447 7.945 -3.865 1.00 62.02 C ATOM 1174 CD1 LEU A 72 4.908 8.725 -2.684 1.00 21.43 C ATOM 1175 CD2 LEU A 72 6.772 7.294 -3.500 1.00 62.44 C ATOM 0 H LEU A 72 4.651 7.824 -6.626 1.00 15.25 H new ATOM 0 HA LEU A 72 5.746 5.526 -5.313 1.00 31.31 H new ATOM 0 HB2 LEU A 72 3.489 7.415 -4.564 1.00 4.05 H new ATOM 0 HB3 LEU A 72 4.214 6.228 -3.497 1.00 4.05 H new ATOM 0 HG LEU A 72 5.623 8.631 -4.694 1.00 62.02 H new ATOM 0 HD11 LEU A 72 5.647 9.461 -2.367 1.00 21.43 H new ATOM 0 HD12 LEU A 72 3.989 9.235 -2.973 1.00 21.43 H new ATOM 0 HD13 LEU A 72 4.700 8.041 -1.861 1.00 21.43 H new ATOM 0 HD21 LEU A 72 7.476 8.060 -3.175 1.00 62.44 H new ATOM 0 HD22 LEU A 72 6.616 6.578 -2.693 1.00 62.44 H new ATOM 0 HD23 LEU A 72 7.175 6.777 -4.371 1.00 62.44 H new ATOM 1187 N LEU A 73 2.827 5.359 -6.706 1.00 64.13 N ATOM 1188 CA LEU A 73 1.711 4.492 -7.057 1.00 54.40 C ATOM 1189 C LEU A 73 2.215 3.338 -7.914 1.00 30.31 C ATOM 1190 O LEU A 73 1.783 2.189 -7.754 1.00 13.04 O ATOM 1191 CB LEU A 73 0.643 5.304 -7.800 1.00 33.24 C ATOM 1192 CG LEU A 73 0.195 6.596 -7.100 1.00 62.02 C ATOM 1193 CD1 LEU A 73 -0.867 7.331 -7.873 1.00 33.25 C ATOM 1194 CD2 LEU A 73 -0.275 6.331 -5.700 1.00 41.21 C ATOM 0 H LEU A 73 2.826 6.257 -7.189 1.00 64.13 H new ATOM 0 HA LEU A 73 1.262 4.080 -6.153 1.00 54.40 H new ATOM 0 HB2 LEU A 73 1.027 5.560 -8.788 1.00 33.24 H new ATOM 0 HB3 LEU A 73 -0.231 4.671 -7.952 1.00 33.24 H new ATOM 0 HG LEU A 73 1.076 7.237 -7.056 1.00 62.02 H new ATOM 0 HD11 LEU A 73 -1.148 8.236 -7.335 1.00 33.25 H new ATOM 0 HD12 LEU A 73 -0.481 7.599 -8.857 1.00 33.25 H new ATOM 0 HD13 LEU A 73 -1.742 6.691 -7.988 1.00 33.25 H new ATOM 0 HD21 LEU A 73 -0.584 7.268 -5.236 1.00 41.21 H new ATOM 0 HD22 LEU A 73 -1.120 5.642 -5.724 1.00 41.21 H new ATOM 0 HD23 LEU A 73 0.536 5.890 -5.121 1.00 41.21 H new ATOM 1206 N SER A 74 3.172 3.639 -8.777 1.00 50.01 N ATOM 1207 CA SER A 74 3.788 2.648 -9.623 1.00 64.33 C ATOM 1208 C SER A 74 4.539 1.614 -8.787 1.00 1.54 C ATOM 1209 O SER A 74 4.413 0.424 -9.018 1.00 25.30 O ATOM 1210 CB SER A 74 4.719 3.325 -10.624 1.00 1.32 C ATOM 1211 OG SER A 74 3.992 4.244 -11.428 1.00 13.41 O ATOM 0 H SER A 74 3.539 4.582 -8.905 1.00 50.01 H new ATOM 0 HA SER A 74 3.009 2.123 -10.175 1.00 64.33 H new ATOM 0 HB2 SER A 74 5.517 3.846 -10.095 1.00 1.32 H new ATOM 0 HB3 SER A 74 5.193 2.574 -11.256 1.00 1.32 H new ATOM 0 HG SER A 74 3.730 5.017 -10.886 1.00 13.41 H new ATOM 1217 N GLU A 75 5.268 2.076 -7.774 1.00 34.25 N ATOM 1218 CA GLU A 75 6.028 1.178 -6.904 1.00 61.43 C ATOM 1219 C GLU A 75 5.125 0.237 -6.132 1.00 20.02 C ATOM 1220 O GLU A 75 5.523 -0.891 -5.807 1.00 75.23 O ATOM 1221 CB GLU A 75 6.913 1.951 -5.954 1.00 33.33 C ATOM 1222 CG GLU A 75 8.026 2.688 -6.642 1.00 55.53 C ATOM 1223 CD GLU A 75 8.885 1.758 -7.447 1.00 13.02 C ATOM 1224 OE1 GLU A 75 9.713 1.038 -6.852 1.00 63.31 O ATOM 1225 OE2 GLU A 75 8.735 1.718 -8.683 1.00 11.10 O ATOM 0 H GLU A 75 5.349 3.064 -7.535 1.00 34.25 H new ATOM 0 HA GLU A 75 6.661 0.575 -7.554 1.00 61.43 H new ATOM 0 HB2 GLU A 75 6.303 2.664 -5.400 1.00 33.33 H new ATOM 0 HB3 GLU A 75 7.340 1.262 -5.225 1.00 33.33 H new ATOM 0 HG2 GLU A 75 7.608 3.455 -7.294 1.00 55.53 H new ATOM 0 HG3 GLU A 75 8.638 3.200 -5.900 1.00 55.53 H new ATOM 1232 N PHE A 76 3.924 0.698 -5.850 1.00 13.43 N ATOM 1233 CA PHE A 76 2.921 -0.097 -5.182 1.00 20.30 C ATOM 1234 C PHE A 76 2.460 -1.207 -6.115 1.00 23.13 C ATOM 1235 O PHE A 76 2.590 -2.382 -5.782 1.00 2.43 O ATOM 1236 CB PHE A 76 1.760 0.807 -4.733 1.00 71.51 C ATOM 1237 CG PHE A 76 0.688 0.109 -3.950 1.00 61.10 C ATOM 1238 CD1 PHE A 76 0.980 -0.496 -2.736 1.00 52.54 C ATOM 1239 CD2 PHE A 76 -0.609 0.077 -4.418 1.00 65.34 C ATOM 1240 CE1 PHE A 76 -0.005 -1.127 -2.006 1.00 1.13 C ATOM 1241 CE2 PHE A 76 -1.605 -0.554 -3.691 1.00 15.34 C ATOM 1242 CZ PHE A 76 -1.299 -1.159 -2.480 1.00 23.20 C ATOM 0 H PHE A 76 3.617 1.643 -6.081 1.00 13.43 H new ATOM 0 HA PHE A 76 3.335 -0.563 -4.288 1.00 20.30 H new ATOM 0 HB2 PHE A 76 2.163 1.619 -4.127 1.00 71.51 H new ATOM 0 HB3 PHE A 76 1.309 1.261 -5.615 1.00 71.51 H new ATOM 0 HD1 PHE A 76 1.991 -0.472 -2.358 1.00 52.54 H new ATOM 0 HD2 PHE A 76 -0.850 0.548 -5.359 1.00 65.34 H new ATOM 0 HE1 PHE A 76 0.237 -1.596 -1.064 1.00 1.13 H new ATOM 0 HE2 PHE A 76 -2.618 -0.575 -4.066 1.00 15.34 H new ATOM 0 HZ PHE A 76 -2.072 -1.653 -1.911 1.00 23.20 H new