USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 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 26:sc= 0.0797 USER MOD Single : A 13 TYR OH : rot -139:sc= 0.0991 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= 1.18 (180deg=1.1) 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 HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 30 SER OG : rot 69:sc= 1.1 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= -0.265 K(o=-0.27,f=-1.1) USER MOD Single : A 60 THR OG1 : rot 66:sc= 0.495 USER MOD Single : A 64 ASN : amide:sc= 0.383 X(o=0.38,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.45) USER MOD Single : A 74 SER OG : rot 89:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.931 1.823 1.060 1.00 74.03 N ATOM 159 CA SER A 12 13.319 3.034 0.365 1.00 53.22 C ATOM 160 C SER A 12 12.081 3.799 -0.116 1.00 32.55 C ATOM 161 O SER A 12 12.003 5.024 0.041 1.00 63.03 O ATOM 162 CB SER A 12 14.256 2.698 -0.795 1.00 24.24 C ATOM 163 OG SER A 12 15.413 2.011 -0.320 1.00 71.33 O ATOM 0 HA SER A 12 13.858 3.682 1.056 1.00 53.22 H new ATOM 0 HB2 SER A 12 13.733 2.080 -1.525 1.00 24.24 H new ATOM 0 HB3 SER A 12 14.554 3.613 -1.307 1.00 24.24 H new ATOM 0 HG SER A 12 15.197 1.543 0.514 1.00 71.33 H new ATOM 169 N TYR A 13 11.107 3.073 -0.660 1.00 4.35 N ATOM 170 CA TYR A 13 9.848 3.672 -1.059 1.00 73.33 C ATOM 171 C TYR A 13 9.051 4.147 0.147 1.00 42.55 C ATOM 172 O TYR A 13 8.490 5.229 0.126 1.00 21.34 O ATOM 173 CB TYR A 13 9.018 2.737 -1.953 1.00 34.42 C ATOM 174 CG TYR A 13 9.284 2.925 -3.435 1.00 31.13 C ATOM 175 CD1 TYR A 13 10.490 2.554 -4.014 1.00 52.53 C ATOM 176 CD2 TYR A 13 8.316 3.500 -4.249 1.00 11.23 C ATOM 177 CE1 TYR A 13 10.725 2.758 -5.363 1.00 32.12 C ATOM 178 CE2 TYR A 13 8.532 3.702 -5.595 1.00 71.42 C ATOM 179 CZ TYR A 13 9.745 3.333 -6.150 1.00 40.20 C ATOM 180 OH TYR A 13 9.984 3.548 -7.495 1.00 60.42 O ATOM 0 H TYR A 13 11.171 2.070 -0.832 1.00 4.35 H new ATOM 0 HA TYR A 13 10.090 4.549 -1.660 1.00 73.33 H new ATOM 0 HB2 TYR A 13 9.232 1.703 -1.682 1.00 34.42 H new ATOM 0 HB3 TYR A 13 7.959 2.905 -1.758 1.00 34.42 H new ATOM 0 HD1 TYR A 13 11.256 2.100 -3.403 1.00 52.53 H new ATOM 0 HD2 TYR A 13 7.372 3.796 -3.817 1.00 11.23 H new ATOM 0 HE1 TYR A 13 11.670 2.469 -5.799 1.00 32.12 H new ATOM 0 HE2 TYR A 13 7.762 4.144 -6.211 1.00 71.42 H new ATOM 0 HH TYR A 13 9.622 4.421 -7.756 1.00 60.42 H new ATOM 190 N VAL A 14 9.047 3.357 1.208 1.00 54.13 N ATOM 191 CA VAL A 14 8.352 3.718 2.443 1.00 33.00 C ATOM 192 C VAL A 14 8.970 4.966 3.089 1.00 72.53 C ATOM 193 O VAL A 14 8.260 5.883 3.493 1.00 73.12 O ATOM 194 CB VAL A 14 8.313 2.547 3.464 1.00 21.22 C ATOM 195 CG1 VAL A 14 7.707 3.008 4.773 1.00 53.34 C ATOM 196 CG2 VAL A 14 7.506 1.380 2.909 1.00 14.45 C ATOM 0 H VAL A 14 9.520 2.454 1.243 1.00 54.13 H new ATOM 0 HA VAL A 14 7.323 3.944 2.162 1.00 33.00 H new ATOM 0 HB VAL A 14 9.336 2.217 3.641 1.00 21.22 H new ATOM 0 HG11 VAL A 14 7.687 2.176 5.477 1.00 53.34 H new ATOM 0 HG12 VAL A 14 8.307 3.819 5.186 1.00 53.34 H new ATOM 0 HG13 VAL A 14 6.690 3.361 4.599 1.00 53.34 H new ATOM 0 HG21 VAL A 14 7.490 0.570 3.638 1.00 14.45 H new ATOM 0 HG22 VAL A 14 6.486 1.707 2.707 1.00 14.45 H new ATOM 0 HG23 VAL A 14 7.964 1.028 1.985 1.00 14.45 H new ATOM 206 N ASN A 15 10.283 4.988 3.184 1.00 74.32 N ATOM 207 CA ASN A 15 11.020 6.118 3.698 1.00 32.52 C ATOM 208 C ASN A 15 10.736 7.349 2.845 1.00 42.43 C ATOM 209 O ASN A 15 10.614 8.465 3.357 1.00 23.42 O ATOM 210 CB ASN A 15 12.498 5.802 3.638 1.00 63.51 C ATOM 211 CG ASN A 15 13.323 6.783 4.399 1.00 64.15 C ATOM 212 OD1 ASN A 15 13.763 7.792 3.865 1.00 30.31 O ATOM 213 ND2 ASN A 15 13.554 6.492 5.635 1.00 34.20 N ATOM 0 H ASN A 15 10.876 4.207 2.901 1.00 74.32 H new ATOM 0 HA ASN A 15 10.718 6.316 4.726 1.00 32.52 H new ATOM 0 HB2 ASN A 15 12.669 4.802 4.037 1.00 63.51 H new ATOM 0 HB3 ASN A 15 12.822 5.790 2.597 1.00 63.51 H new ATOM 0 HD21 ASN A 15 14.124 7.115 6.208 1.00 34.20 H new ATOM 0 HD22 ASN A 15 13.167 5.639 6.039 1.00 34.20 H new ATOM 220 N LYS A 16 10.617 7.126 1.544 1.00 72.13 N ATOM 221 CA LYS A 16 10.293 8.164 0.610 1.00 3.30 C ATOM 222 C LYS A 16 8.905 8.707 0.920 1.00 13.14 C ATOM 223 O LYS A 16 8.700 9.907 0.910 1.00 75.53 O ATOM 224 CB LYS A 16 10.365 7.609 -0.799 1.00 52.55 C ATOM 225 CG LYS A 16 10.137 8.602 -1.885 1.00 51.40 C ATOM 226 CD LYS A 16 10.342 7.943 -3.220 1.00 71.34 C ATOM 227 CE LYS A 16 10.190 8.941 -4.338 1.00 43.41 C ATOM 228 NZ LYS A 16 10.432 8.346 -5.660 1.00 74.41 N ATOM 0 H LYS A 16 10.746 6.209 1.116 1.00 72.13 H new ATOM 0 HA LYS A 16 11.006 8.984 0.693 1.00 3.30 H new ATOM 0 HB2 LYS A 16 11.345 7.155 -0.944 1.00 52.55 H new ATOM 0 HB3 LYS A 16 9.627 6.812 -0.896 1.00 52.55 H new ATOM 0 HG2 LYS A 16 9.126 9.004 -1.818 1.00 51.40 H new ATOM 0 HG3 LYS A 16 10.822 9.442 -1.773 1.00 51.40 H new ATOM 0 HD2 LYS A 16 11.334 7.493 -3.260 1.00 71.34 H new ATOM 0 HD3 LYS A 16 9.621 7.136 -3.347 1.00 71.34 H new ATOM 0 HE2 LYS A 16 9.185 9.362 -4.311 1.00 43.41 H new ATOM 0 HE3 LYS A 16 10.885 9.766 -4.182 1.00 43.41 H new ATOM 0 HZ1 LYS A 16 10.651 9.098 -6.344 1.00 74.41 H new ATOM 0 HZ2 LYS A 16 11.234 7.686 -5.602 1.00 74.41 H new ATOM 0 HZ3 LYS A 16 9.583 7.832 -5.970 1.00 74.41 H new ATOM 242 N ILE A 17 7.971 7.807 1.226 1.00 40.53 N ATOM 243 CA ILE A 17 6.632 8.170 1.641 1.00 24.12 C ATOM 244 C ILE A 17 6.707 9.024 2.905 1.00 41.23 C ATOM 245 O ILE A 17 6.101 10.092 2.970 1.00 40.25 O ATOM 246 CB ILE A 17 5.782 6.907 1.934 1.00 31.03 C ATOM 247 CG1 ILE A 17 5.587 6.061 0.670 1.00 25.25 C ATOM 248 CG2 ILE A 17 4.451 7.294 2.544 1.00 62.11 C ATOM 249 CD1 ILE A 17 4.890 4.736 0.916 1.00 73.12 C ATOM 0 H ILE A 17 8.131 6.800 1.190 1.00 40.53 H new ATOM 0 HA ILE A 17 6.161 8.730 0.833 1.00 24.12 H new ATOM 0 HB ILE A 17 6.323 6.294 2.655 1.00 31.03 H new ATOM 0 HG12 ILE A 17 5.008 6.635 -0.054 1.00 25.25 H new ATOM 0 HG13 ILE A 17 6.561 5.869 0.220 1.00 25.25 H new ATOM 0 HG21 ILE A 17 3.867 6.395 2.743 1.00 62.11 H new ATOM 0 HG22 ILE A 17 4.621 7.831 3.477 1.00 62.11 H new ATOM 0 HG23 ILE A 17 3.906 7.935 1.851 1.00 62.11 H new ATOM 0 HD11 ILE A 17 4.790 4.197 -0.026 1.00 73.12 H new ATOM 0 HD12 ILE A 17 5.478 4.140 1.614 1.00 73.12 H new ATOM 0 HD13 ILE A 17 3.901 4.918 1.337 1.00 73.12 H new ATOM 261 N LYS A 18 7.491 8.553 3.882 1.00 43.15 N ATOM 262 CA LYS A 18 7.693 9.267 5.146 1.00 71.34 C ATOM 263 C LYS A 18 8.130 10.699 4.874 1.00 62.23 C ATOM 264 O LYS A 18 7.561 11.622 5.377 1.00 34.30 O ATOM 265 CB LYS A 18 8.776 8.592 6.016 1.00 51.10 C ATOM 266 CG LYS A 18 8.442 7.249 6.541 1.00 53.42 C ATOM 267 CD LYS A 18 9.537 6.754 7.451 1.00 74.13 C ATOM 268 CE LYS A 18 9.271 5.340 7.851 1.00 43.42 C ATOM 269 NZ LYS A 18 10.282 4.820 8.786 1.00 71.41 N ATOM 0 H LYS A 18 8.000 7.671 3.819 1.00 43.15 H new ATOM 0 HA LYS A 18 6.743 9.248 5.680 1.00 71.34 H new ATOM 0 HB2 LYS A 18 9.690 8.513 5.427 1.00 51.10 H new ATOM 0 HB3 LYS A 18 8.996 9.246 6.860 1.00 51.10 H new ATOM 0 HG2 LYS A 18 7.498 7.288 7.085 1.00 53.42 H new ATOM 0 HG3 LYS A 18 8.304 6.552 5.714 1.00 53.42 H new ATOM 0 HD2 LYS A 18 10.500 6.822 6.945 1.00 74.13 H new ATOM 0 HD3 LYS A 18 9.598 7.386 8.337 1.00 74.13 H new ATOM 0 HE2 LYS A 18 8.286 5.276 8.313 1.00 43.42 H new ATOM 0 HE3 LYS A 18 9.247 4.712 6.960 1.00 43.42 H new ATOM 0 HZ1 LYS A 18 10.053 3.836 9.033 1.00 71.41 H new ATOM 0 HZ2 LYS A 18 11.220 4.855 8.338 1.00 71.41 H new ATOM 0 HZ3 LYS A 18 10.289 5.401 9.649 1.00 71.41 H new ATOM 283 N THR A 19 9.125 10.831 4.025 1.00 33.03 N ATOM 284 CA THR A 19 9.716 12.071 3.640 1.00 53.40 C ATOM 285 C THR A 19 8.761 12.958 2.788 1.00 71.21 C ATOM 286 O THR A 19 8.697 14.169 2.972 1.00 32.35 O ATOM 287 CB THR A 19 11.003 11.708 2.872 1.00 74.13 C ATOM 288 OG1 THR A 19 12.053 11.300 3.769 1.00 45.35 O ATOM 289 CG2 THR A 19 11.451 12.771 1.918 1.00 14.33 C ATOM 0 H THR A 19 9.558 10.029 3.567 1.00 33.03 H new ATOM 0 HA THR A 19 9.935 12.677 4.519 1.00 53.40 H new ATOM 0 HB THR A 19 10.752 10.851 2.246 1.00 74.13 H new ATOM 0 HG1 THR A 19 12.855 11.075 3.253 1.00 45.35 H new ATOM 0 HG21 THR A 19 12.361 12.447 1.414 1.00 14.33 H new ATOM 0 HG22 THR A 19 10.670 12.949 1.179 1.00 14.33 H new ATOM 0 HG23 THR A 19 11.648 13.692 2.466 1.00 14.33 H new ATOM 297 N ARG A 20 8.028 12.358 1.902 1.00 0.11 N ATOM 298 CA ARG A 20 7.138 13.088 1.015 1.00 50.54 C ATOM 299 C ARG A 20 5.895 13.588 1.707 1.00 60.12 C ATOM 300 O ARG A 20 5.238 14.516 1.233 1.00 11.04 O ATOM 301 CB ARG A 20 6.801 12.233 -0.184 1.00 43.20 C ATOM 302 CG ARG A 20 7.891 12.243 -1.235 1.00 2.24 C ATOM 303 CD ARG A 20 7.896 13.559 -1.996 1.00 52.13 C ATOM 304 NE ARG A 20 8.910 13.573 -3.041 1.00 43.12 N ATOM 305 CZ ARG A 20 8.815 14.218 -4.205 1.00 62.21 C ATOM 306 NH1 ARG A 20 7.755 14.973 -4.476 1.00 33.41 N ATOM 307 NH2 ARG A 20 9.798 14.117 -5.085 1.00 35.32 N ATOM 0 H ARG A 20 8.021 11.348 1.763 1.00 0.11 H new ATOM 0 HA ARG A 20 7.665 13.981 0.681 1.00 50.54 H new ATOM 0 HB2 ARG A 20 6.627 11.208 0.143 1.00 43.20 H new ATOM 0 HB3 ARG A 20 5.871 12.588 -0.628 1.00 43.20 H new ATOM 0 HG2 ARG A 20 8.860 12.088 -0.761 1.00 2.24 H new ATOM 0 HG3 ARG A 20 7.740 11.417 -1.930 1.00 2.24 H new ATOM 0 HD2 ARG A 20 6.914 13.727 -2.439 1.00 52.13 H new ATOM 0 HD3 ARG A 20 8.077 14.380 -1.302 1.00 52.13 H new ATOM 0 HE ARG A 20 9.765 13.045 -2.868 1.00 43.12 H new ATOM 0 HH11 ARG A 20 7.005 15.063 -3.791 1.00 33.41 H new ATOM 0 HH12 ARG A 20 7.692 15.462 -5.369 1.00 33.41 H new ATOM 0 HH21 ARG A 20 10.618 13.550 -4.870 1.00 35.32 H new ATOM 0 HH22 ARG A 20 9.735 14.606 -5.978 1.00 35.32 H new ATOM 321 N PHE A 21 5.577 12.986 2.806 1.00 25.51 N ATOM 322 CA PHE A 21 4.428 13.355 3.587 1.00 1.12 C ATOM 323 C PHE A 21 4.900 13.600 4.996 1.00 51.42 C ATOM 324 O PHE A 21 4.198 13.380 5.957 1.00 11.10 O ATOM 325 CB PHE A 21 3.385 12.230 3.522 1.00 44.04 C ATOM 326 CG PHE A 21 2.932 11.943 2.111 1.00 22.31 C ATOM 327 CD1 PHE A 21 3.592 11.006 1.331 1.00 1.25 C ATOM 328 CD2 PHE A 21 1.867 12.624 1.562 1.00 64.35 C ATOM 329 CE1 PHE A 21 3.207 10.758 0.045 1.00 21.42 C ATOM 330 CE2 PHE A 21 1.467 12.377 0.267 1.00 20.13 C ATOM 331 CZ PHE A 21 2.141 11.443 -0.495 1.00 44.24 C ATOM 0 H PHE A 21 6.112 12.211 3.198 1.00 25.51 H new ATOM 0 HA PHE A 21 3.954 14.259 3.204 1.00 1.12 H new ATOM 0 HB2 PHE A 21 3.806 11.323 3.957 1.00 44.04 H new ATOM 0 HB3 PHE A 21 2.522 12.504 4.129 1.00 44.04 H new ATOM 0 HD1 PHE A 21 4.426 10.462 1.749 1.00 1.25 H new ATOM 0 HD2 PHE A 21 1.341 13.359 2.153 1.00 64.35 H new ATOM 0 HE1 PHE A 21 3.737 10.027 -0.547 1.00 21.42 H new ATOM 0 HE2 PHE A 21 0.628 12.913 -0.152 1.00 20.13 H new ATOM 0 HZ PHE A 21 1.833 11.250 -1.512 1.00 44.24 H new ATOM 341 N LEU A 22 6.099 14.136 5.081 1.00 41.44 N ATOM 342 CA LEU A 22 6.791 14.364 6.324 1.00 33.32 C ATOM 343 C LEU A 22 6.104 15.423 7.190 1.00 44.22 C ATOM 344 O LEU A 22 6.308 15.484 8.406 1.00 44.50 O ATOM 345 CB LEU A 22 8.246 14.732 6.021 1.00 20.41 C ATOM 346 CG LEU A 22 9.313 13.859 6.628 1.00 13.21 C ATOM 347 CD1 LEU A 22 10.694 14.369 6.274 1.00 44.42 C ATOM 348 CD2 LEU A 22 9.142 13.803 8.087 1.00 40.25 C ATOM 0 H LEU A 22 6.631 14.432 4.262 1.00 41.44 H new ATOM 0 HA LEU A 22 6.766 13.446 6.911 1.00 33.32 H new ATOM 0 HB2 LEU A 22 8.379 14.726 4.939 1.00 20.41 H new ATOM 0 HB3 LEU A 22 8.414 15.755 6.357 1.00 20.41 H new ATOM 0 HG LEU A 22 9.213 12.853 6.221 1.00 13.21 H new ATOM 0 HD11 LEU A 22 11.447 13.722 6.724 1.00 44.42 H new ATOM 0 HD12 LEU A 22 10.815 14.369 5.191 1.00 44.42 H new ATOM 0 HD13 LEU A 22 10.815 15.384 6.652 1.00 44.42 H new ATOM 0 HD21 LEU A 22 9.917 13.170 8.520 1.00 40.25 H new ATOM 0 HD22 LEU A 22 9.221 14.808 8.501 1.00 40.25 H new ATOM 0 HD23 LEU A 22 8.162 13.389 8.323 1.00 40.25 H new ATOM 360 N ASP A 23 5.294 16.239 6.577 1.00 13.24 N ATOM 361 CA ASP A 23 4.561 17.262 7.305 1.00 13.35 C ATOM 362 C ASP A 23 3.209 16.695 7.743 1.00 20.45 C ATOM 363 O ASP A 23 2.571 17.198 8.670 1.00 44.11 O ATOM 364 CB ASP A 23 4.382 18.505 6.419 1.00 52.44 C ATOM 365 CG ASP A 23 3.846 19.714 7.155 1.00 12.32 C ATOM 366 OD1 ASP A 23 4.666 20.526 7.671 1.00 43.14 O ATOM 367 OD2 ASP A 23 2.628 19.903 7.206 1.00 21.33 O ATOM 0 H ASP A 23 5.117 16.224 5.573 1.00 13.24 H new ATOM 0 HA ASP A 23 5.118 17.560 8.193 1.00 13.35 H new ATOM 0 HB2 ASP A 23 5.343 18.761 5.972 1.00 52.44 H new ATOM 0 HB3 ASP A 23 3.705 18.261 5.601 1.00 52.44 H new ATOM 372 N HIS A 24 2.835 15.578 7.132 1.00 2.44 N ATOM 373 CA HIS A 24 1.545 14.939 7.366 1.00 64.23 C ATOM 374 C HIS A 24 1.704 13.446 7.678 1.00 73.12 C ATOM 375 O HIS A 24 1.484 12.594 6.804 1.00 43.13 O ATOM 376 CB HIS A 24 0.621 15.081 6.149 1.00 40.05 C ATOM 377 CG HIS A 24 0.065 16.440 5.897 1.00 61.41 C ATOM 378 ND1 HIS A 24 0.766 17.462 5.316 1.00 23.43 N ATOM 379 CD2 HIS A 24 -1.171 16.923 6.140 1.00 25.04 C ATOM 380 CE1 HIS A 24 -0.032 18.518 5.225 1.00 4.41 C ATOM 381 NE2 HIS A 24 -1.234 18.247 5.716 1.00 1.11 N ATOM 0 H HIS A 24 3.421 15.087 6.457 1.00 2.44 H new ATOM 0 HA HIS A 24 1.103 15.446 8.224 1.00 64.23 H new ATOM 0 HB2 HIS A 24 1.172 14.767 5.263 1.00 40.05 H new ATOM 0 HB3 HIS A 24 -0.211 14.388 6.269 1.00 40.05 H new ATOM 0 HD2 HIS A 24 -1.982 16.371 6.591 1.00 25.04 H new ATOM 0 HE1 HIS A 24 0.258 19.471 4.807 1.00 4.41 H new ATOM 0 HE2 HIS A 24 -2.035 18.876 5.771 1.00 1.11 H new ATOM 389 N PRO A 25 2.067 13.089 8.925 1.00 11.22 N ATOM 390 CA PRO A 25 2.258 11.681 9.320 1.00 64.51 C ATOM 391 C PRO A 25 0.930 10.906 9.293 1.00 73.42 C ATOM 392 O PRO A 25 0.896 9.668 9.304 1.00 51.13 O ATOM 393 CB PRO A 25 2.813 11.776 10.745 1.00 51.55 C ATOM 394 CG PRO A 25 2.384 13.118 11.239 1.00 50.03 C ATOM 395 CD PRO A 25 2.334 14.017 10.040 1.00 53.30 C ATOM 0 HA PRO A 25 2.921 11.142 8.643 1.00 64.51 H new ATOM 0 HB2 PRO A 25 2.419 10.979 11.376 1.00 51.55 H new ATOM 0 HB3 PRO A 25 3.899 11.681 10.753 1.00 51.55 H new ATOM 0 HG2 PRO A 25 1.408 13.060 11.721 1.00 50.03 H new ATOM 0 HG3 PRO A 25 3.084 13.500 11.982 1.00 50.03 H new ATOM 0 HD2 PRO A 25 1.550 14.768 10.134 1.00 53.30 H new ATOM 0 HD3 PRO A 25 3.273 14.553 9.900 1.00 53.30 H new ATOM 403 N GLU A 26 -0.153 11.661 9.218 1.00 31.22 N ATOM 404 CA GLU A 26 -1.479 11.134 9.118 1.00 51.35 C ATOM 405 C GLU A 26 -1.655 10.364 7.807 1.00 70.41 C ATOM 406 O GLU A 26 -2.230 9.307 7.798 1.00 51.43 O ATOM 407 CB GLU A 26 -2.488 12.270 9.215 1.00 34.53 C ATOM 408 CG GLU A 26 -2.333 13.312 8.131 1.00 43.32 C ATOM 409 CD GLU A 26 -3.293 14.446 8.267 1.00 75.21 C ATOM 410 OE1 GLU A 26 -3.041 15.364 9.067 1.00 22.45 O ATOM 411 OE2 GLU A 26 -4.322 14.444 7.580 1.00 42.33 O ATOM 0 H GLU A 26 -0.120 12.680 9.226 1.00 31.22 H new ATOM 0 HA GLU A 26 -1.649 10.439 9.940 1.00 51.35 H new ATOM 0 HB2 GLU A 26 -3.495 11.855 9.167 1.00 34.53 H new ATOM 0 HB3 GLU A 26 -2.387 12.752 10.188 1.00 34.53 H new ATOM 0 HG2 GLU A 26 -1.315 13.701 8.152 1.00 43.32 H new ATOM 0 HG3 GLU A 26 -2.473 12.840 7.159 1.00 43.32 H new ATOM 418 N ILE A 27 -1.073 10.881 6.725 1.00 12.13 N ATOM 419 CA ILE A 27 -1.205 10.289 5.402 1.00 50.55 C ATOM 420 C ILE A 27 -0.463 8.974 5.355 1.00 61.53 C ATOM 421 O ILE A 27 -0.931 8.000 4.768 1.00 14.41 O ATOM 422 CB ILE A 27 -0.701 11.271 4.316 1.00 72.33 C ATOM 423 CG1 ILE A 27 -1.511 12.568 4.440 1.00 11.23 C ATOM 424 CG2 ILE A 27 -0.828 10.671 2.905 1.00 42.15 C ATOM 425 CD1 ILE A 27 -1.208 13.603 3.398 1.00 53.54 C ATOM 0 H ILE A 27 -0.497 11.723 6.745 1.00 12.13 H new ATOM 0 HA ILE A 27 -2.257 10.091 5.197 1.00 50.55 H new ATOM 0 HB ILE A 27 0.359 11.473 4.469 1.00 72.33 H new ATOM 0 HG12 ILE A 27 -2.572 12.323 4.390 1.00 11.23 H new ATOM 0 HG13 ILE A 27 -1.329 13.000 5.424 1.00 11.23 H new ATOM 0 HG21 ILE A 27 -0.465 11.389 2.170 1.00 42.15 H new ATOM 0 HG22 ILE A 27 -0.236 9.758 2.843 1.00 42.15 H new ATOM 0 HG23 ILE A 27 -1.873 10.440 2.701 1.00 42.15 H new ATOM 0 HD11 ILE A 27 -1.829 14.483 3.568 1.00 53.54 H new ATOM 0 HD12 ILE A 27 -0.156 13.884 3.459 1.00 53.54 H new ATOM 0 HD13 ILE A 27 -1.418 13.196 2.409 1.00 53.54 H new ATOM 437 N TYR A 28 0.655 8.942 6.054 1.00 24.54 N ATOM 438 CA TYR A 28 1.461 7.743 6.199 1.00 72.43 C ATOM 439 C TYR A 28 0.597 6.658 6.835 1.00 12.20 C ATOM 440 O TYR A 28 0.454 5.552 6.312 1.00 33.13 O ATOM 441 CB TYR A 28 2.628 8.050 7.140 1.00 10.12 C ATOM 442 CG TYR A 28 3.652 6.953 7.250 1.00 12.53 C ATOM 443 CD1 TYR A 28 4.602 6.770 6.265 1.00 63.42 C ATOM 444 CD2 TYR A 28 3.661 6.097 8.338 1.00 34.03 C ATOM 445 CE1 TYR A 28 5.527 5.762 6.355 1.00 50.31 C ATOM 446 CE2 TYR A 28 4.586 5.086 8.438 1.00 23.34 C ATOM 447 CZ TYR A 28 5.513 4.917 7.448 1.00 74.15 C ATOM 448 OH TYR A 28 6.442 3.913 7.554 1.00 34.45 O ATOM 0 H TYR A 28 1.034 9.754 6.542 1.00 24.54 H new ATOM 0 HA TYR A 28 1.834 7.415 5.229 1.00 72.43 H new ATOM 0 HB2 TYR A 28 3.124 8.958 6.798 1.00 10.12 H new ATOM 0 HB3 TYR A 28 2.231 8.259 8.133 1.00 10.12 H new ATOM 0 HD1 TYR A 28 4.617 7.431 5.411 1.00 63.42 H new ATOM 0 HD2 TYR A 28 2.929 6.226 9.121 1.00 34.03 H new ATOM 0 HE1 TYR A 28 6.263 5.629 5.576 1.00 50.31 H new ATOM 0 HE2 TYR A 28 4.581 4.428 9.295 1.00 23.34 H new ATOM 0 HH TYR A 28 6.291 3.413 8.383 1.00 34.45 H new ATOM 458 N ARG A 29 0.000 7.024 7.947 1.00 62.25 N ATOM 459 CA ARG A 29 -0.839 6.180 8.726 1.00 14.41 C ATOM 460 C ARG A 29 -2.088 5.748 7.946 1.00 21.02 C ATOM 461 O ARG A 29 -2.478 4.575 7.980 1.00 11.12 O ATOM 462 CB ARG A 29 -1.245 6.955 9.943 1.00 22.12 C ATOM 463 CG ARG A 29 -2.087 6.199 10.892 1.00 71.14 C ATOM 464 CD ARG A 29 -2.472 7.075 12.036 1.00 55.12 C ATOM 465 NE ARG A 29 -3.323 6.384 12.994 1.00 23.30 N ATOM 466 CZ ARG A 29 -3.383 6.653 14.294 1.00 23.53 C ATOM 467 NH1 ARG A 29 -2.482 7.450 14.871 1.00 71.25 N ATOM 468 NH2 ARG A 29 -4.328 6.099 15.017 1.00 33.02 N ATOM 0 H ARG A 29 0.099 7.961 8.339 1.00 62.25 H new ATOM 0 HA ARG A 29 -0.297 5.273 8.993 1.00 14.41 H new ATOM 0 HB2 ARG A 29 -0.347 7.292 10.461 1.00 22.12 H new ATOM 0 HB3 ARG A 29 -1.785 7.848 9.628 1.00 22.12 H new ATOM 0 HG2 ARG A 29 -2.980 5.832 10.387 1.00 71.14 H new ATOM 0 HG3 ARG A 29 -1.546 5.326 11.257 1.00 71.14 H new ATOM 0 HD2 ARG A 29 -1.572 7.428 12.540 1.00 55.12 H new ATOM 0 HD3 ARG A 29 -2.992 7.955 11.659 1.00 55.12 H new ATOM 0 HE ARG A 29 -3.919 5.636 12.640 1.00 23.30 H new ATOM 0 HH11 ARG A 29 -1.734 7.862 14.313 1.00 71.25 H new ATOM 0 HH12 ARG A 29 -2.541 7.647 15.870 1.00 71.25 H new ATOM 0 HH21 ARG A 29 -5.003 5.472 14.580 1.00 33.02 H new ATOM 0 HH22 ARG A 29 -4.387 6.296 16.016 1.00 33.02 H new ATOM 482 N SER A 30 -2.693 6.693 7.227 1.00 13.41 N ATOM 483 CA SER A 30 -3.882 6.433 6.447 1.00 3.31 C ATOM 484 C SER A 30 -3.599 5.407 5.376 1.00 32.10 C ATOM 485 O SER A 30 -4.474 4.665 4.977 1.00 64.22 O ATOM 486 CB SER A 30 -4.427 7.724 5.841 1.00 0.32 C ATOM 487 OG SER A 30 -4.766 8.654 6.858 1.00 3.32 O ATOM 0 H SER A 30 -2.365 7.658 7.175 1.00 13.41 H new ATOM 0 HA SER A 30 -4.646 6.028 7.110 1.00 3.31 H new ATOM 0 HB2 SER A 30 -3.683 8.161 5.175 1.00 0.32 H new ATOM 0 HB3 SER A 30 -5.306 7.504 5.235 1.00 0.32 H new ATOM 0 HG SER A 30 -3.949 8.978 7.291 1.00 3.32 H new ATOM 493 N PHE A 31 -2.381 5.375 4.916 1.00 13.22 N ATOM 494 CA PHE A 31 -1.976 4.393 3.972 1.00 41.45 C ATOM 495 C PHE A 31 -1.811 3.032 4.632 1.00 34.44 C ATOM 496 O PHE A 31 -2.267 2.009 4.105 1.00 12.32 O ATOM 497 CB PHE A 31 -0.693 4.795 3.293 1.00 74.32 C ATOM 498 CG PHE A 31 -0.122 3.675 2.526 1.00 24.41 C ATOM 499 CD1 PHE A 31 -0.747 3.240 1.380 1.00 52.52 C ATOM 500 CD2 PHE A 31 0.994 3.015 2.986 1.00 30.02 C ATOM 501 CE1 PHE A 31 -0.273 2.166 0.689 1.00 1.43 C ATOM 502 CE2 PHE A 31 1.496 1.934 2.303 1.00 42.22 C ATOM 503 CZ PHE A 31 0.863 1.500 1.144 1.00 64.21 C ATOM 0 H PHE A 31 -1.648 6.030 5.188 1.00 13.22 H new ATOM 0 HA PHE A 31 -2.761 4.319 3.219 1.00 41.45 H new ATOM 0 HB2 PHE A 31 -0.880 5.637 2.627 1.00 74.32 H new ATOM 0 HB3 PHE A 31 0.026 5.132 4.039 1.00 74.32 H new ATOM 0 HD1 PHE A 31 -1.625 3.757 1.023 1.00 52.52 H new ATOM 0 HD2 PHE A 31 1.479 3.349 3.891 1.00 30.02 H new ATOM 0 HE1 PHE A 31 -0.775 1.832 -0.207 1.00 1.43 H new ATOM 0 HE2 PHE A 31 2.377 1.424 2.664 1.00 42.22 H new ATOM 0 HZ PHE A 31 1.250 0.651 0.599 1.00 64.21 H new ATOM 513 N LEU A 32 -1.143 3.027 5.762 1.00 71.33 N ATOM 514 CA LEU A 32 -0.879 1.827 6.522 1.00 63.25 C ATOM 515 C LEU A 32 -2.160 1.076 6.830 1.00 40.21 C ATOM 516 O LEU A 32 -2.193 -0.166 6.807 1.00 51.24 O ATOM 517 CB LEU A 32 -0.161 2.195 7.809 1.00 62.23 C ATOM 518 CG LEU A 32 1.225 2.798 7.653 1.00 72.25 C ATOM 519 CD1 LEU A 32 1.799 3.084 9.012 1.00 21.41 C ATOM 520 CD2 LEU A 32 2.152 1.881 6.847 1.00 21.43 C ATOM 0 H LEU A 32 -0.761 3.872 6.187 1.00 71.33 H new ATOM 0 HA LEU A 32 -0.247 1.169 5.925 1.00 63.25 H new ATOM 0 HB2 LEU A 32 -0.783 2.902 8.358 1.00 62.23 H new ATOM 0 HB3 LEU A 32 -0.078 1.299 8.424 1.00 62.23 H new ATOM 0 HG LEU A 32 1.139 3.731 7.095 1.00 72.25 H new ATOM 0 HD11 LEU A 32 2.793 3.517 8.903 1.00 21.41 H new ATOM 0 HD12 LEU A 32 1.153 3.786 9.539 1.00 21.41 H new ATOM 0 HD13 LEU A 32 1.867 2.157 9.581 1.00 21.41 H new ATOM 0 HD21 LEU A 32 3.134 2.345 6.756 1.00 21.43 H new ATOM 0 HD22 LEU A 32 2.249 0.923 7.357 1.00 21.43 H new ATOM 0 HD23 LEU A 32 1.733 1.722 5.854 1.00 21.43 H new ATOM 532 N GLU A 33 -3.212 1.816 7.074 1.00 31.20 N ATOM 533 CA GLU A 33 -4.476 1.231 7.392 1.00 44.52 C ATOM 534 C GLU A 33 -5.085 0.543 6.151 1.00 71.20 C ATOM 535 O GLU A 33 -5.723 -0.500 6.265 1.00 22.11 O ATOM 536 CB GLU A 33 -5.404 2.284 7.993 1.00 65.34 C ATOM 537 CG GLU A 33 -6.162 3.162 7.006 1.00 51.34 C ATOM 538 CD GLU A 33 -7.033 4.154 7.720 1.00 62.23 C ATOM 539 OE1 GLU A 33 -8.069 3.740 8.281 1.00 62.44 O ATOM 540 OE2 GLU A 33 -6.705 5.355 7.758 1.00 2.14 O ATOM 0 H GLU A 33 -3.210 2.836 7.056 1.00 31.20 H new ATOM 0 HA GLU A 33 -4.336 0.454 8.144 1.00 44.52 H new ATOM 0 HB2 GLU A 33 -6.131 1.777 8.627 1.00 65.34 H new ATOM 0 HB3 GLU A 33 -4.812 2.931 8.641 1.00 65.34 H new ATOM 0 HG2 GLU A 33 -5.454 3.690 6.367 1.00 51.34 H new ATOM 0 HG3 GLU A 33 -6.775 2.538 6.356 1.00 51.34 H new ATOM 547 N ILE A 34 -4.810 1.102 4.971 1.00 10.24 N ATOM 548 CA ILE A 34 -5.281 0.578 3.715 1.00 43.23 C ATOM 549 C ILE A 34 -4.594 -0.736 3.423 1.00 61.44 C ATOM 550 O ILE A 34 -5.238 -1.705 3.092 1.00 21.54 O ATOM 551 CB ILE A 34 -4.994 1.587 2.575 1.00 65.45 C ATOM 552 CG1 ILE A 34 -5.758 2.877 2.831 1.00 0.45 C ATOM 553 CG2 ILE A 34 -5.342 1.003 1.211 1.00 2.04 C ATOM 554 CD1 ILE A 34 -5.357 4.011 1.933 1.00 11.12 C ATOM 0 H ILE A 34 -4.244 1.945 4.874 1.00 10.24 H new ATOM 0 HA ILE A 34 -6.357 0.416 3.778 1.00 43.23 H new ATOM 0 HB ILE A 34 -3.926 1.804 2.564 1.00 65.45 H new ATOM 0 HG12 ILE A 34 -6.824 2.687 2.706 1.00 0.45 H new ATOM 0 HG13 ILE A 34 -5.607 3.177 3.868 1.00 0.45 H new ATOM 0 HG21 ILE A 34 -5.128 1.738 0.435 1.00 2.04 H new ATOM 0 HG22 ILE A 34 -4.746 0.107 1.036 1.00 2.04 H new ATOM 0 HG23 ILE A 34 -6.401 0.746 1.185 1.00 2.04 H new ATOM 0 HD11 ILE A 34 -5.946 4.895 2.178 1.00 11.12 H new ATOM 0 HD12 ILE A 34 -4.299 4.230 2.074 1.00 11.12 H new ATOM 0 HD13 ILE A 34 -5.534 3.733 0.894 1.00 11.12 H new ATOM 566 N LEU A 35 -3.284 -0.772 3.587 1.00 23.53 N ATOM 567 CA LEU A 35 -2.517 -1.964 3.322 1.00 61.23 C ATOM 568 C LEU A 35 -2.932 -3.072 4.315 1.00 54.50 C ATOM 569 O LEU A 35 -3.007 -4.257 3.959 1.00 1.41 O ATOM 570 CB LEU A 35 -1.033 -1.614 3.448 1.00 74.51 C ATOM 571 CG LEU A 35 -0.018 -2.452 2.650 1.00 51.54 C ATOM 572 CD1 LEU A 35 0.037 -3.911 3.093 1.00 62.43 C ATOM 573 CD2 LEU A 35 -0.291 -2.357 1.157 1.00 43.25 C ATOM 0 H LEU A 35 -2.729 0.022 3.906 1.00 23.53 H new ATOM 0 HA LEU A 35 -2.705 -2.338 2.316 1.00 61.23 H new ATOM 0 HB2 LEU A 35 -0.910 -0.572 3.152 1.00 74.51 H new ATOM 0 HB3 LEU A 35 -0.764 -1.680 4.502 1.00 74.51 H new ATOM 0 HG LEU A 35 0.963 -2.025 2.861 1.00 51.54 H new ATOM 0 HD11 LEU A 35 0.771 -4.447 2.491 1.00 62.43 H new ATOM 0 HD12 LEU A 35 0.322 -3.962 4.144 1.00 62.43 H new ATOM 0 HD13 LEU A 35 -0.943 -4.369 2.961 1.00 62.43 H new ATOM 0 HD21 LEU A 35 0.439 -2.957 0.615 1.00 43.25 H new ATOM 0 HD22 LEU A 35 -1.294 -2.728 0.946 1.00 43.25 H new ATOM 0 HD23 LEU A 35 -0.214 -1.317 0.839 1.00 43.25 H new ATOM 585 N HIS A 36 -3.245 -2.669 5.538 1.00 4.11 N ATOM 586 CA HIS A 36 -3.706 -3.600 6.550 1.00 3.42 C ATOM 587 C HIS A 36 -5.065 -4.162 6.119 1.00 12.45 C ATOM 588 O HIS A 36 -5.268 -5.371 6.074 1.00 74.54 O ATOM 589 CB HIS A 36 -3.808 -2.900 7.911 1.00 21.42 C ATOM 590 CG HIS A 36 -4.011 -3.836 9.054 1.00 43.24 C ATOM 591 ND1 HIS A 36 -5.135 -3.867 9.851 1.00 35.54 N ATOM 592 CD2 HIS A 36 -3.179 -4.779 9.543 1.00 2.03 C ATOM 593 CE1 HIS A 36 -4.954 -4.806 10.776 1.00 14.13 C ATOM 594 NE2 HIS A 36 -3.774 -5.394 10.630 1.00 44.30 N ATOM 0 H HIS A 36 -3.187 -1.700 5.851 1.00 4.11 H new ATOM 0 HA HIS A 36 -2.994 -4.419 6.653 1.00 3.42 H new ATOM 0 HB2 HIS A 36 -2.899 -2.324 8.082 1.00 21.42 H new ATOM 0 HB3 HIS A 36 -4.635 -2.190 7.883 1.00 21.42 H new ATOM 0 HD2 HIS A 36 -2.202 -5.016 9.148 1.00 2.03 H new ATOM 0 HE1 HIS A 36 -5.672 -5.056 11.543 1.00 14.13 H new ATOM 0 HE2 HIS A 36 -3.386 -6.145 11.201 1.00 44.30 H new ATOM 602 N THR A 37 -5.952 -3.259 5.765 1.00 72.24 N ATOM 603 CA THR A 37 -7.266 -3.564 5.230 1.00 32.20 C ATOM 604 C THR A 37 -7.184 -4.463 3.977 1.00 71.02 C ATOM 605 O THR A 37 -7.992 -5.377 3.798 1.00 1.33 O ATOM 606 CB THR A 37 -7.993 -2.223 4.934 1.00 20.35 C ATOM 607 OG1 THR A 37 -8.647 -1.734 6.114 1.00 25.32 O ATOM 608 CG2 THR A 37 -8.937 -2.270 3.737 1.00 60.33 C ATOM 0 H THR A 37 -5.775 -2.257 5.843 1.00 72.24 H new ATOM 0 HA THR A 37 -7.835 -4.134 5.965 1.00 32.20 H new ATOM 0 HB THR A 37 -7.217 -1.516 4.642 1.00 20.35 H new ATOM 0 HG1 THR A 37 -9.099 -0.888 5.911 1.00 25.32 H new ATOM 0 HG21 THR A 37 -9.402 -1.293 3.602 1.00 60.33 H new ATOM 0 HG22 THR A 37 -8.375 -2.532 2.840 1.00 60.33 H new ATOM 0 HG23 THR A 37 -9.710 -3.019 3.912 1.00 60.33 H new ATOM 616 N TYR A 38 -6.186 -4.223 3.164 1.00 13.22 N ATOM 617 CA TYR A 38 -5.975 -4.957 1.949 1.00 5.31 C ATOM 618 C TYR A 38 -5.713 -6.421 2.252 1.00 51.01 C ATOM 619 O TYR A 38 -6.344 -7.316 1.682 1.00 50.11 O ATOM 620 CB TYR A 38 -4.810 -4.354 1.181 1.00 73.42 C ATOM 621 CG TYR A 38 -4.648 -4.956 -0.150 1.00 75.43 C ATOM 622 CD1 TYR A 38 -5.435 -4.519 -1.155 1.00 44.31 C ATOM 623 CD2 TYR A 38 -3.743 -5.978 -0.392 1.00 53.25 C ATOM 624 CE1 TYR A 38 -5.350 -5.066 -2.424 1.00 65.43 C ATOM 625 CE2 TYR A 38 -3.644 -6.552 -1.645 1.00 12.44 C ATOM 626 CZ TYR A 38 -4.451 -6.087 -2.664 1.00 62.31 C ATOM 627 OH TYR A 38 -4.370 -6.657 -3.924 1.00 51.33 O ATOM 0 H TYR A 38 -5.488 -3.499 3.334 1.00 13.22 H new ATOM 0 HA TYR A 38 -6.873 -4.893 1.335 1.00 5.31 H new ATOM 0 HB2 TYR A 38 -4.964 -3.280 1.075 1.00 73.42 H new ATOM 0 HB3 TYR A 38 -3.892 -4.489 1.753 1.00 73.42 H new ATOM 0 HD1 TYR A 38 -6.145 -3.727 -0.966 1.00 44.31 H new ATOM 0 HD2 TYR A 38 -3.108 -6.329 0.408 1.00 53.25 H new ATOM 0 HE1 TYR A 38 -5.981 -4.698 -3.219 1.00 65.43 H new ATOM 0 HE2 TYR A 38 -2.944 -7.354 -1.825 1.00 12.44 H new ATOM 0 HH TYR A 38 -3.687 -7.360 -3.922 1.00 51.33 H new ATOM 637 N GLN A 39 -4.811 -6.655 3.182 1.00 33.54 N ATOM 638 CA GLN A 39 -4.482 -7.999 3.611 1.00 74.13 C ATOM 639 C GLN A 39 -5.655 -8.662 4.301 1.00 71.41 C ATOM 640 O GLN A 39 -5.748 -9.885 4.350 1.00 12.25 O ATOM 641 CB GLN A 39 -3.224 -8.007 4.464 1.00 75.00 C ATOM 642 CG GLN A 39 -1.978 -7.775 3.632 1.00 2.41 C ATOM 643 CD GLN A 39 -1.725 -8.930 2.675 1.00 34.24 C ATOM 644 OE1 GLN A 39 -2.044 -10.087 2.978 1.00 33.33 O ATOM 645 NE2 GLN A 39 -1.196 -8.639 1.528 1.00 75.31 N ATOM 0 H GLN A 39 -4.287 -5.922 3.661 1.00 33.54 H new ATOM 0 HA GLN A 39 -4.268 -8.595 2.724 1.00 74.13 H new ATOM 0 HB2 GLN A 39 -3.299 -7.235 5.229 1.00 75.00 H new ATOM 0 HB3 GLN A 39 -3.142 -8.962 4.982 1.00 75.00 H new ATOM 0 HG2 GLN A 39 -2.084 -6.849 3.067 1.00 2.41 H new ATOM 0 HG3 GLN A 39 -1.118 -7.651 4.290 1.00 2.41 H new ATOM 0 HE21 GLN A 39 -0.945 -7.674 1.312 1.00 75.31 H new ATOM 0 HE22 GLN A 39 -1.030 -9.375 0.841 1.00 75.31 H new ATOM 904 N GLU A 55 -8.981 -4.603 -5.030 1.00 23.32 N ATOM 905 CA GLU A 55 -7.773 -4.020 -5.574 1.00 11.00 C ATOM 906 C GLU A 55 -7.956 -2.694 -6.339 1.00 41.25 C ATOM 907 O GLU A 55 -7.158 -1.766 -6.165 1.00 73.22 O ATOM 908 CB GLU A 55 -7.098 -5.053 -6.420 1.00 23.15 C ATOM 909 CG GLU A 55 -5.740 -4.672 -6.869 1.00 63.41 C ATOM 910 CD GLU A 55 -5.131 -5.739 -7.700 1.00 10.53 C ATOM 911 OE1 GLU A 55 -5.384 -5.765 -8.918 1.00 23.34 O ATOM 912 OE2 GLU A 55 -4.419 -6.601 -7.146 1.00 1.32 O ATOM 0 HA GLU A 55 -7.152 -3.732 -4.726 1.00 11.00 H new ATOM 0 HB2 GLU A 55 -7.035 -5.984 -5.857 1.00 23.15 H new ATOM 0 HB3 GLU A 55 -7.716 -5.251 -7.295 1.00 23.15 H new ATOM 0 HG2 GLU A 55 -5.790 -3.746 -7.441 1.00 63.41 H new ATOM 0 HG3 GLU A 55 -5.109 -4.478 -6.002 1.00 63.41 H new ATOM 919 N GLU A 56 -8.988 -2.581 -7.129 1.00 72.31 N ATOM 920 CA GLU A 56 -9.212 -1.373 -7.873 1.00 11.21 C ATOM 921 C GLU A 56 -9.621 -0.216 -6.949 1.00 3.31 C ATOM 922 O GLU A 56 -9.143 0.913 -7.112 1.00 70.54 O ATOM 923 CB GLU A 56 -10.222 -1.602 -8.981 1.00 34.21 C ATOM 924 CG GLU A 56 -10.513 -0.374 -9.800 1.00 53.30 C ATOM 925 CD GLU A 56 -11.378 -0.669 -10.975 1.00 31.34 C ATOM 926 OE1 GLU A 56 -12.553 -1.037 -10.786 1.00 5.33 O ATOM 927 OE2 GLU A 56 -10.888 -0.548 -12.126 1.00 4.53 O ATOM 0 H GLU A 56 -9.686 -3.310 -7.274 1.00 72.31 H new ATOM 0 HA GLU A 56 -8.272 -1.084 -8.344 1.00 11.21 H new ATOM 0 HB2 GLU A 56 -9.853 -2.388 -9.640 1.00 34.21 H new ATOM 0 HB3 GLU A 56 -11.152 -1.964 -8.543 1.00 34.21 H new ATOM 0 HG2 GLU A 56 -11.000 0.372 -9.172 1.00 53.30 H new ATOM 0 HG3 GLU A 56 -9.575 0.062 -10.143 1.00 53.30 H new ATOM 934 N GLU A 57 -10.445 -0.503 -5.948 1.00 4.13 N ATOM 935 CA GLU A 57 -10.859 0.526 -5.011 1.00 0.12 C ATOM 936 C GLU A 57 -9.702 0.795 -4.048 1.00 52.23 C ATOM 937 O GLU A 57 -9.557 1.896 -3.532 1.00 1.43 O ATOM 938 CB GLU A 57 -12.142 0.139 -4.260 1.00 53.55 C ATOM 939 CG GLU A 57 -11.898 -0.639 -3.012 1.00 72.31 C ATOM 940 CD GLU A 57 -13.151 -1.084 -2.322 1.00 14.21 C ATOM 941 OE1 GLU A 57 -13.769 -0.281 -1.596 1.00 13.32 O ATOM 942 OE2 GLU A 57 -13.542 -2.256 -2.484 1.00 62.41 O ATOM 0 H GLU A 57 -10.834 -1.429 -5.768 1.00 4.13 H new ATOM 0 HA GLU A 57 -11.099 1.437 -5.560 1.00 0.12 H new ATOM 0 HB2 GLU A 57 -12.693 1.046 -4.010 1.00 53.55 H new ATOM 0 HB3 GLU A 57 -12.778 -0.447 -4.924 1.00 53.55 H new ATOM 0 HG2 GLU A 57 -11.296 -1.515 -3.253 1.00 72.31 H new ATOM 0 HG3 GLU A 57 -11.312 -0.030 -2.324 1.00 72.31 H new ATOM 949 N VAL A 58 -8.868 -0.232 -3.851 1.00 31.44 N ATOM 950 CA VAL A 58 -7.675 -0.148 -3.069 1.00 31.12 C ATOM 951 C VAL A 58 -6.779 0.884 -3.674 1.00 43.42 C ATOM 952 O VAL A 58 -6.361 1.829 -3.007 1.00 33.43 O ATOM 953 CB VAL A 58 -6.945 -1.507 -3.075 1.00 25.13 C ATOM 954 CG1 VAL A 58 -5.546 -1.404 -2.535 1.00 25.45 C ATOM 955 CG2 VAL A 58 -7.717 -2.517 -2.298 1.00 23.11 C ATOM 0 H VAL A 58 -9.027 -1.157 -4.249 1.00 31.44 H new ATOM 0 HA VAL A 58 -7.930 0.119 -2.044 1.00 31.12 H new ATOM 0 HB VAL A 58 -6.874 -1.826 -4.115 1.00 25.13 H new ATOM 0 HG11 VAL A 58 -5.073 -2.386 -2.560 1.00 25.45 H new ATOM 0 HG12 VAL A 58 -4.970 -0.709 -3.146 1.00 25.45 H new ATOM 0 HG13 VAL A 58 -5.578 -1.043 -1.507 1.00 25.45 H new ATOM 0 HG21 VAL A 58 -7.188 -3.470 -2.313 1.00 23.11 H new ATOM 0 HG22 VAL A 58 -7.826 -2.178 -1.268 1.00 23.11 H new ATOM 0 HG23 VAL A 58 -8.703 -2.643 -2.744 1.00 23.11 H new ATOM 965 N PHE A 59 -6.536 0.723 -4.964 1.00 44.44 N ATOM 966 CA PHE A 59 -5.684 1.607 -5.693 1.00 13.51 C ATOM 967 C PHE A 59 -6.228 3.025 -5.641 1.00 4.32 C ATOM 968 O PHE A 59 -5.467 3.948 -5.607 1.00 12.34 O ATOM 969 CB PHE A 59 -5.488 1.133 -7.139 1.00 10.32 C ATOM 970 CG PHE A 59 -4.419 1.898 -7.883 1.00 41.22 C ATOM 971 CD1 PHE A 59 -3.098 1.486 -7.829 1.00 33.11 C ATOM 972 CD2 PHE A 59 -4.730 3.034 -8.616 1.00 4.34 C ATOM 973 CE1 PHE A 59 -2.111 2.187 -8.491 1.00 43.45 C ATOM 974 CE2 PHE A 59 -3.748 3.738 -9.275 1.00 53.34 C ATOM 975 CZ PHE A 59 -2.436 3.316 -9.215 1.00 43.01 C ATOM 0 H PHE A 59 -6.932 -0.032 -5.524 1.00 44.44 H new ATOM 0 HA PHE A 59 -4.702 1.601 -5.221 1.00 13.51 H new ATOM 0 HB2 PHE A 59 -5.229 0.074 -7.134 1.00 10.32 H new ATOM 0 HB3 PHE A 59 -6.432 1.228 -7.676 1.00 10.32 H new ATOM 0 HD1 PHE A 59 -2.837 0.605 -7.262 1.00 33.11 H new ATOM 0 HD2 PHE A 59 -5.755 3.370 -8.670 1.00 4.34 H new ATOM 0 HE1 PHE A 59 -1.085 1.853 -8.443 1.00 43.45 H new ATOM 0 HE2 PHE A 59 -4.005 4.622 -9.840 1.00 53.34 H new ATOM 0 HZ PHE A 59 -1.665 3.868 -9.733 1.00 43.01 H new ATOM 985 N THR A 60 -7.548 3.179 -5.579 1.00 34.02 N ATOM 986 CA THR A 60 -8.158 4.440 -5.460 1.00 44.44 C ATOM 987 C THR A 60 -7.715 5.141 -4.162 1.00 22.13 C ATOM 988 O THR A 60 -7.297 6.298 -4.188 1.00 30.44 O ATOM 989 CB THR A 60 -9.664 4.238 -5.442 1.00 51.53 C ATOM 990 OG1 THR A 60 -10.112 3.716 -6.700 1.00 63.42 O ATOM 991 CG2 THR A 60 -10.361 5.500 -5.115 1.00 52.31 C ATOM 0 H THR A 60 -8.207 2.401 -5.613 1.00 34.02 H new ATOM 0 HA THR A 60 -7.864 5.068 -6.301 1.00 44.44 H new ATOM 0 HB THR A 60 -9.905 3.513 -4.664 1.00 51.53 H new ATOM 0 HG1 THR A 60 -9.754 2.812 -6.825 1.00 63.42 H new ATOM 0 HG21 THR A 60 -11.438 5.330 -5.108 1.00 52.31 H new ATOM 0 HG22 THR A 60 -10.042 5.848 -4.132 1.00 52.31 H new ATOM 0 HG23 THR A 60 -10.118 6.254 -5.863 1.00 52.31 H new ATOM 999 N GLU A 61 -7.729 4.405 -3.058 1.00 41.43 N ATOM 1000 CA GLU A 61 -7.437 4.970 -1.769 1.00 42.02 C ATOM 1001 C GLU A 61 -5.974 5.340 -1.715 1.00 20.34 C ATOM 1002 O GLU A 61 -5.595 6.372 -1.176 1.00 2.31 O ATOM 1003 CB GLU A 61 -7.746 3.948 -0.700 1.00 11.33 C ATOM 1004 CG GLU A 61 -9.143 3.426 -0.805 1.00 21.54 C ATOM 1005 CD GLU A 61 -10.195 4.419 -0.454 1.00 21.14 C ATOM 1006 OE1 GLU A 61 -10.607 5.197 -1.326 1.00 74.23 O ATOM 1007 OE2 GLU A 61 -10.679 4.409 0.694 1.00 43.43 O ATOM 0 H GLU A 61 -7.943 3.408 -3.042 1.00 41.43 H new ATOM 0 HA GLU A 61 -8.043 5.861 -1.603 1.00 42.02 H new ATOM 0 HB2 GLU A 61 -7.043 3.119 -0.779 1.00 11.33 H new ATOM 0 HB3 GLU A 61 -7.601 4.397 0.283 1.00 11.33 H new ATOM 0 HG2 GLU A 61 -9.313 3.079 -1.824 1.00 21.54 H new ATOM 0 HG3 GLU A 61 -9.245 2.560 -0.152 1.00 21.54 H new ATOM 1014 N VAL A 62 -5.174 4.495 -2.337 1.00 44.11 N ATOM 1015 CA VAL A 62 -3.734 4.642 -2.399 1.00 72.24 C ATOM 1016 C VAL A 62 -3.330 5.764 -3.374 1.00 12.53 C ATOM 1017 O VAL A 62 -2.433 6.545 -3.092 1.00 52.04 O ATOM 1018 CB VAL A 62 -3.078 3.300 -2.800 1.00 22.23 C ATOM 1019 CG1 VAL A 62 -1.580 3.390 -2.770 1.00 4.12 C ATOM 1020 CG2 VAL A 62 -3.537 2.210 -1.866 1.00 53.02 C ATOM 0 H VAL A 62 -5.517 3.667 -2.825 1.00 44.11 H new ATOM 0 HA VAL A 62 -3.375 4.923 -1.409 1.00 72.24 H new ATOM 0 HB VAL A 62 -3.384 3.068 -3.820 1.00 22.23 H new ATOM 0 HG11 VAL A 62 -1.152 2.430 -3.057 1.00 4.12 H new ATOM 0 HG12 VAL A 62 -1.248 4.159 -3.468 1.00 4.12 H new ATOM 0 HG13 VAL A 62 -1.251 3.647 -1.763 1.00 4.12 H new ATOM 0 HG21 VAL A 62 -3.073 1.266 -2.152 1.00 53.02 H new ATOM 0 HG22 VAL A 62 -3.250 2.461 -0.845 1.00 53.02 H new ATOM 0 HG23 VAL A 62 -4.621 2.113 -1.925 1.00 53.02 H new ATOM 1030 N ALA A 63 -4.023 5.858 -4.492 1.00 53.14 N ATOM 1031 CA ALA A 63 -3.794 6.922 -5.486 1.00 55.10 C ATOM 1032 C ALA A 63 -4.164 8.262 -4.903 1.00 74.14 C ATOM 1033 O ALA A 63 -3.628 9.288 -5.280 1.00 44.44 O ATOM 1034 CB ALA A 63 -4.586 6.669 -6.756 1.00 35.01 C ATOM 0 H ALA A 63 -4.764 5.205 -4.749 1.00 53.14 H new ATOM 0 HA ALA A 63 -2.735 6.922 -5.744 1.00 55.10 H new ATOM 0 HB1 ALA A 63 -4.396 7.471 -7.469 1.00 35.01 H new ATOM 0 HB2 ALA A 63 -4.282 5.717 -7.191 1.00 35.01 H new ATOM 0 HB3 ALA A 63 -5.650 6.637 -6.521 1.00 35.01 H new ATOM 1040 N ASN A 64 -5.119 8.224 -4.023 1.00 50.10 N ATOM 1041 CA ASN A 64 -5.577 9.371 -3.265 1.00 45.23 C ATOM 1042 C ASN A 64 -4.630 9.685 -2.121 1.00 61.03 C ATOM 1043 O ASN A 64 -4.478 10.833 -1.729 1.00 1.20 O ATOM 1044 CB ASN A 64 -6.983 9.078 -2.770 1.00 23.04 C ATOM 1045 CG ASN A 64 -7.339 9.653 -1.416 1.00 44.55 C ATOM 1046 OD1 ASN A 64 -7.784 10.789 -1.299 1.00 41.52 O ATOM 1047 ND2 ASN A 64 -7.187 8.843 -0.391 1.00 72.05 N ATOM 0 H ASN A 64 -5.625 7.367 -3.798 1.00 50.10 H new ATOM 0 HA ASN A 64 -5.593 10.257 -3.899 1.00 45.23 H new ATOM 0 HB2 ASN A 64 -7.693 9.460 -3.504 1.00 23.04 H new ATOM 0 HB3 ASN A 64 -7.116 7.997 -2.731 1.00 23.04 H new ATOM 0 HD21 ASN A 64 -7.443 9.153 0.546 1.00 72.05 H new ATOM 0 HD22 ASN A 64 -6.813 7.905 -0.533 1.00 72.05 H new ATOM 1054 N LEU A 65 -4.001 8.671 -1.611 1.00 73.44 N ATOM 1055 CA LEU A 65 -3.081 8.784 -0.537 1.00 23.34 C ATOM 1056 C LEU A 65 -1.847 9.513 -1.091 1.00 30.14 C ATOM 1057 O LEU A 65 -1.443 10.564 -0.590 1.00 63.44 O ATOM 1058 CB LEU A 65 -2.719 7.362 -0.128 1.00 35.34 C ATOM 1059 CG LEU A 65 -2.193 7.064 1.244 1.00 13.31 C ATOM 1060 CD1 LEU A 65 -0.913 7.756 1.502 1.00 5.04 C ATOM 1061 CD2 LEU A 65 -3.182 7.344 2.322 1.00 72.33 C ATOM 0 H LEU A 65 -4.122 7.715 -1.946 1.00 73.44 H new ATOM 0 HA LEU A 65 -3.477 9.328 0.320 1.00 23.34 H new ATOM 0 HB2 LEU A 65 -3.612 6.753 -0.267 1.00 35.34 H new ATOM 0 HB3 LEU A 65 -1.975 7.004 -0.840 1.00 35.34 H new ATOM 0 HG LEU A 65 -2.006 5.990 1.265 1.00 13.31 H new ATOM 0 HD11 LEU A 65 -0.565 7.515 2.506 1.00 5.04 H new ATOM 0 HD12 LEU A 65 -0.171 7.432 0.773 1.00 5.04 H new ATOM 0 HD13 LEU A 65 -1.058 8.833 1.417 1.00 5.04 H new ATOM 0 HD21 LEU A 65 -2.741 7.108 3.291 1.00 72.33 H new ATOM 0 HD22 LEU A 65 -3.459 8.398 2.297 1.00 72.33 H new ATOM 0 HD23 LEU A 65 -4.070 6.731 2.169 1.00 72.33 H new ATOM 1073 N PHE A 66 -1.306 8.965 -2.169 1.00 14.55 N ATOM 1074 CA PHE A 66 -0.137 9.514 -2.814 1.00 73.13 C ATOM 1075 C PHE A 66 -0.564 10.213 -4.094 1.00 35.14 C ATOM 1076 O PHE A 66 -0.100 9.862 -5.185 1.00 42.32 O ATOM 1077 CB PHE A 66 0.867 8.408 -3.177 1.00 41.14 C ATOM 1078 CG PHE A 66 1.141 7.413 -2.091 1.00 51.12 C ATOM 1079 CD1 PHE A 66 1.789 7.784 -0.943 1.00 13.23 C ATOM 1080 CD2 PHE A 66 0.755 6.096 -2.236 1.00 13.34 C ATOM 1081 CE1 PHE A 66 2.046 6.865 0.042 1.00 11.13 C ATOM 1082 CE2 PHE A 66 1.011 5.175 -1.254 1.00 62.24 C ATOM 1083 CZ PHE A 66 1.655 5.557 -0.114 1.00 30.10 C ATOM 0 H PHE A 66 -1.671 8.125 -2.617 1.00 14.55 H new ATOM 0 HA PHE A 66 0.340 10.211 -2.125 1.00 73.13 H new ATOM 0 HB2 PHE A 66 0.494 7.874 -4.051 1.00 41.14 H new ATOM 0 HB3 PHE A 66 1.809 8.875 -3.466 1.00 41.14 H new ATOM 0 HD1 PHE A 66 2.101 8.810 -0.812 1.00 13.23 H new ATOM 0 HD2 PHE A 66 0.244 5.787 -3.136 1.00 13.34 H new ATOM 0 HE1 PHE A 66 2.557 7.170 0.943 1.00 11.13 H new ATOM 0 HE2 PHE A 66 0.703 4.148 -1.383 1.00 62.24 H new ATOM 0 HZ PHE A 66 1.857 4.834 0.663 1.00 30.10 H new ATOM 1093 N ARG A 67 -1.462 11.181 -3.967 1.00 51.55 N ATOM 1094 CA ARG A 67 -1.967 11.916 -5.127 1.00 31.13 C ATOM 1095 C ARG A 67 -0.825 12.568 -5.899 1.00 74.33 C ATOM 1096 O ARG A 67 -0.038 13.339 -5.330 1.00 35.54 O ATOM 1097 CB ARG A 67 -2.987 13.008 -4.742 1.00 41.24 C ATOM 1098 CG ARG A 67 -4.339 12.549 -4.266 1.00 5.30 C ATOM 1099 CD ARG A 67 -5.162 12.005 -5.422 1.00 32.03 C ATOM 1100 NE ARG A 67 -5.340 12.993 -6.489 1.00 30.51 N ATOM 1101 CZ ARG A 67 -5.767 12.718 -7.726 1.00 64.31 C ATOM 1102 NH1 ARG A 67 -6.107 11.472 -8.060 1.00 65.44 N ATOM 1103 NH2 ARG A 67 -5.869 13.693 -8.612 1.00 23.54 N ATOM 0 H ARG A 67 -1.857 11.478 -3.075 1.00 51.55 H new ATOM 0 HA ARG A 67 -2.471 11.179 -5.751 1.00 31.13 H new ATOM 0 HB2 ARG A 67 -2.544 13.623 -3.959 1.00 41.24 H new ATOM 0 HB3 ARG A 67 -3.135 13.653 -5.608 1.00 41.24 H new ATOM 0 HG2 ARG A 67 -4.219 11.778 -3.505 1.00 5.30 H new ATOM 0 HG3 ARG A 67 -4.866 13.380 -3.798 1.00 5.30 H new ATOM 0 HD2 ARG A 67 -4.674 11.119 -5.828 1.00 32.03 H new ATOM 0 HD3 ARG A 67 -6.139 11.691 -5.054 1.00 32.03 H new ATOM 0 HE ARG A 67 -5.121 13.965 -6.272 1.00 30.51 H new ATOM 0 HH11 ARG A 67 -6.042 10.723 -7.370 1.00 65.44 H new ATOM 0 HH12 ARG A 67 -6.432 11.268 -9.005 1.00 65.44 H new ATOM 0 HH21 ARG A 67 -5.623 14.648 -8.350 1.00 23.54 H new ATOM 0 HH22 ARG A 67 -6.194 13.491 -9.558 1.00 23.54 H new ATOM 1117 N GLY A 68 -0.708 12.212 -7.160 1.00 70.20 N ATOM 1118 CA GLY A 68 0.284 12.803 -8.024 1.00 23.23 C ATOM 1119 C GLY A 68 1.567 12.017 -8.085 1.00 64.54 C ATOM 1120 O GLY A 68 2.214 11.953 -9.130 1.00 54.03 O ATOM 0 H GLY A 68 -1.295 11.509 -7.610 1.00 70.20 H new ATOM 0 HA2 GLY A 68 -0.127 12.892 -9.030 1.00 23.23 H new ATOM 0 HA3 GLY A 68 0.501 13.813 -7.678 1.00 23.23 H new ATOM 1124 N GLN A 69 1.931 11.406 -6.980 1.00 43.25 N ATOM 1125 CA GLN A 69 3.148 10.633 -6.876 1.00 55.02 C ATOM 1126 C GLN A 69 2.966 9.257 -7.506 1.00 73.43 C ATOM 1127 O GLN A 69 2.922 8.233 -6.813 1.00 0.40 O ATOM 1128 CB GLN A 69 3.532 10.495 -5.417 1.00 44.11 C ATOM 1129 CG GLN A 69 3.803 11.814 -4.721 1.00 53.44 C ATOM 1130 CD GLN A 69 5.038 12.495 -5.216 1.00 22.22 C ATOM 1131 OE1 GLN A 69 6.132 12.243 -4.729 1.00 53.10 O ATOM 1132 NE2 GLN A 69 4.877 13.384 -6.123 1.00 43.24 N ATOM 0 H GLN A 69 1.385 11.432 -6.119 1.00 43.25 H new ATOM 0 HA GLN A 69 3.944 11.149 -7.413 1.00 55.02 H new ATOM 0 HB2 GLN A 69 2.732 9.976 -4.889 1.00 44.11 H new ATOM 0 HB3 GLN A 69 4.421 9.869 -5.344 1.00 44.11 H new ATOM 0 HG2 GLN A 69 2.949 12.476 -4.864 1.00 53.44 H new ATOM 0 HG3 GLN A 69 3.896 11.640 -3.649 1.00 53.44 H new ATOM 0 HE21 GLN A 69 3.947 13.563 -6.502 1.00 43.24 H new ATOM 0 HE22 GLN A 69 5.678 13.913 -6.466 1.00 43.24 H new ATOM 1141 N GLU A 70 2.872 9.236 -8.823 1.00 2.33 N ATOM 1142 CA GLU A 70 2.614 8.018 -9.564 1.00 50.54 C ATOM 1143 C GLU A 70 3.749 7.019 -9.457 1.00 51.50 C ATOM 1144 O GLU A 70 3.543 5.841 -9.673 1.00 1.11 O ATOM 1145 CB GLU A 70 2.242 8.308 -11.009 1.00 30.11 C ATOM 1146 CG GLU A 70 1.039 9.225 -11.133 1.00 73.25 C ATOM 1147 CD GLU A 70 0.656 9.501 -12.550 1.00 20.33 C ATOM 1148 OE1 GLU A 70 1.262 10.398 -13.179 1.00 15.13 O ATOM 1149 OE2 GLU A 70 -0.288 8.841 -13.058 1.00 73.34 O ATOM 0 H GLU A 70 2.973 10.065 -9.409 1.00 2.33 H new ATOM 0 HA GLU A 70 1.750 7.546 -9.097 1.00 50.54 H new ATOM 0 HB2 GLU A 70 3.094 8.763 -11.515 1.00 30.11 H new ATOM 0 HB3 GLU A 70 2.032 7.369 -11.521 1.00 30.11 H new ATOM 0 HG2 GLU A 70 0.192 8.775 -10.615 1.00 73.25 H new ATOM 0 HG3 GLU A 70 1.255 10.168 -10.631 1.00 73.25 H new ATOM 1156 N ASP A 71 4.931 7.488 -9.113 1.00 74.34 N ATOM 1157 CA ASP A 71 6.079 6.606 -8.848 1.00 60.12 C ATOM 1158 C ASP A 71 5.732 5.616 -7.737 1.00 20.32 C ATOM 1159 O ASP A 71 5.872 4.400 -7.896 1.00 20.11 O ATOM 1160 CB ASP A 71 7.298 7.441 -8.447 1.00 71.54 C ATOM 1161 CG ASP A 71 8.450 6.618 -7.900 1.00 54.43 C ATOM 1162 OD1 ASP A 71 9.134 5.898 -8.673 1.00 61.43 O ATOM 1163 OD2 ASP A 71 8.710 6.698 -6.697 1.00 34.20 O ATOM 0 H ASP A 71 5.135 8.482 -9.006 1.00 74.34 H new ATOM 0 HA ASP A 71 6.315 6.049 -9.755 1.00 60.12 H new ATOM 0 HB2 ASP A 71 7.644 8.002 -9.315 1.00 71.54 H new ATOM 0 HB3 ASP A 71 6.996 8.171 -7.696 1.00 71.54 H new ATOM 1168 N LEU A 72 5.183 6.149 -6.658 1.00 4.30 N ATOM 1169 CA LEU A 72 4.789 5.359 -5.502 1.00 24.12 C ATOM 1170 C LEU A 72 3.583 4.483 -5.846 1.00 74.44 C ATOM 1171 O LEU A 72 3.439 3.385 -5.343 1.00 52.42 O ATOM 1172 CB LEU A 72 4.426 6.292 -4.336 1.00 71.12 C ATOM 1173 CG LEU A 72 5.518 7.268 -3.865 1.00 21.10 C ATOM 1174 CD1 LEU A 72 4.980 8.179 -2.781 1.00 51.51 C ATOM 1175 CD2 LEU A 72 6.736 6.520 -3.354 1.00 1.34 C ATOM 0 H LEU A 72 4.997 7.147 -6.558 1.00 4.30 H new ATOM 0 HA LEU A 72 5.623 4.720 -5.213 1.00 24.12 H new ATOM 0 HB2 LEU A 72 3.552 6.874 -4.626 1.00 71.12 H new ATOM 0 HB3 LEU A 72 4.131 5.676 -3.487 1.00 71.12 H new ATOM 0 HG LEU A 72 5.819 7.871 -4.721 1.00 21.10 H new ATOM 0 HD11 LEU A 72 5.765 8.863 -2.458 1.00 51.51 H new ATOM 0 HD12 LEU A 72 4.138 8.750 -3.171 1.00 51.51 H new ATOM 0 HD13 LEU A 72 4.650 7.580 -1.933 1.00 51.51 H new ATOM 0 HD21 LEU A 72 7.492 7.235 -3.028 1.00 1.34 H new ATOM 0 HD22 LEU A 72 6.449 5.887 -2.514 1.00 1.34 H new ATOM 0 HD23 LEU A 72 7.144 5.900 -4.152 1.00 1.34 H new ATOM 1187 N LEU A 73 2.765 4.972 -6.758 1.00 33.11 N ATOM 1188 CA LEU A 73 1.509 4.305 -7.143 1.00 63.23 C ATOM 1189 C LEU A 73 1.780 3.135 -8.085 1.00 72.44 C ATOM 1190 O LEU A 73 1.116 2.103 -8.031 1.00 73.13 O ATOM 1191 CB LEU A 73 0.562 5.298 -7.847 1.00 33.21 C ATOM 1192 CG LEU A 73 0.227 6.599 -7.096 1.00 53.25 C ATOM 1193 CD1 LEU A 73 -0.695 7.481 -7.901 1.00 54.35 C ATOM 1194 CD2 LEU A 73 -0.387 6.319 -5.758 1.00 3.10 C ATOM 0 H LEU A 73 2.941 5.842 -7.260 1.00 33.11 H new ATOM 0 HA LEU A 73 1.042 3.934 -6.231 1.00 63.23 H new ATOM 0 HB2 LEU A 73 1.005 5.566 -8.806 1.00 33.21 H new ATOM 0 HB3 LEU A 73 -0.373 4.780 -8.061 1.00 33.21 H new ATOM 0 HG LEU A 73 1.170 7.124 -6.945 1.00 53.25 H new ATOM 0 HD11 LEU A 73 -0.910 8.390 -7.340 1.00 54.35 H new ATOM 0 HD12 LEU A 73 -0.217 7.742 -8.845 1.00 54.35 H new ATOM 0 HD13 LEU A 73 -1.625 6.949 -8.100 1.00 54.35 H new ATOM 0 HD21 LEU A 73 -0.610 7.260 -5.256 1.00 3.10 H new ATOM 0 HD22 LEU A 73 -1.308 5.752 -5.892 1.00 3.10 H new ATOM 0 HD23 LEU A 73 0.310 5.741 -5.151 1.00 3.10 H new ATOM 1206 N SER A 74 2.754 3.301 -8.937 1.00 40.31 N ATOM 1207 CA SER A 74 3.079 2.305 -9.921 1.00 64.40 C ATOM 1208 C SER A 74 3.782 1.115 -9.285 1.00 3.11 C ATOM 1209 O SER A 74 3.339 -0.027 -9.433 1.00 44.25 O ATOM 1210 CB SER A 74 3.939 2.926 -11.005 1.00 34.12 C ATOM 1211 OG SER A 74 3.284 4.056 -11.575 1.00 74.44 O ATOM 0 H SER A 74 3.345 4.131 -8.969 1.00 40.31 H new ATOM 0 HA SER A 74 2.155 1.937 -10.367 1.00 64.40 H new ATOM 0 HB2 SER A 74 4.900 3.227 -10.587 1.00 34.12 H new ATOM 0 HB3 SER A 74 4.146 2.189 -11.781 1.00 34.12 H new ATOM 0 HG SER A 74 3.515 4.860 -11.064 1.00 74.44 H new ATOM 1217 N GLU A 75 4.826 1.380 -8.512 1.00 74.11 N ATOM 1218 CA GLU A 75 5.601 0.306 -7.898 1.00 3.20 C ATOM 1219 C GLU A 75 4.825 -0.353 -6.763 1.00 32.34 C ATOM 1220 O GLU A 75 5.174 -1.446 -6.299 1.00 34.54 O ATOM 1221 CB GLU A 75 6.942 0.824 -7.426 1.00 54.34 C ATOM 1222 CG GLU A 75 7.751 1.472 -8.537 1.00 3.22 C ATOM 1223 CD GLU A 75 8.086 0.532 -9.677 1.00 62.02 C ATOM 1224 OE1 GLU A 75 7.281 0.410 -10.631 1.00 60.01 O ATOM 1225 OE2 GLU A 75 9.177 -0.075 -9.656 1.00 62.54 O ATOM 0 H GLU A 75 5.155 2.321 -8.295 1.00 74.11 H new ATOM 0 HA GLU A 75 5.783 -0.460 -8.652 1.00 3.20 H new ATOM 0 HB2 GLU A 75 6.785 1.549 -6.628 1.00 54.34 H new ATOM 0 HB3 GLU A 75 7.514 0.000 -7.000 1.00 54.34 H new ATOM 0 HG2 GLU A 75 7.194 2.322 -8.931 1.00 3.22 H new ATOM 0 HG3 GLU A 75 8.677 1.865 -8.118 1.00 3.22 H new ATOM 1232 N PHE A 76 3.751 0.309 -6.351 1.00 70.24 N ATOM 1233 CA PHE A 76 2.823 -0.208 -5.359 1.00 4.30 C ATOM 1234 C PHE A 76 2.253 -1.550 -5.825 1.00 43.34 C ATOM 1235 O PHE A 76 2.081 -2.464 -5.034 1.00 45.02 O ATOM 1236 CB PHE A 76 1.696 0.817 -5.133 1.00 14.55 C ATOM 1237 CG PHE A 76 0.590 0.374 -4.222 1.00 44.24 C ATOM 1238 CD1 PHE A 76 0.786 0.305 -2.857 1.00 11.11 C ATOM 1239 CD2 PHE A 76 -0.647 0.024 -4.740 1.00 72.42 C ATOM 1240 CE1 PHE A 76 -0.231 -0.104 -2.023 1.00 62.10 C ATOM 1241 CE2 PHE A 76 -1.668 -0.387 -3.912 1.00 73.05 C ATOM 1242 CZ PHE A 76 -1.460 -0.452 -2.548 1.00 2.30 C ATOM 0 H PHE A 76 3.499 1.233 -6.703 1.00 70.24 H new ATOM 0 HA PHE A 76 3.346 -0.370 -4.416 1.00 4.30 H new ATOM 0 HB2 PHE A 76 2.134 1.728 -4.726 1.00 14.55 H new ATOM 0 HB3 PHE A 76 1.265 1.075 -6.100 1.00 14.55 H new ATOM 0 HD1 PHE A 76 1.745 0.574 -2.440 1.00 11.11 H new ATOM 0 HD2 PHE A 76 -0.812 0.074 -5.806 1.00 72.42 H new ATOM 0 HE1 PHE A 76 -0.067 -0.153 -0.957 1.00 62.10 H new ATOM 0 HE2 PHE A 76 -2.627 -0.657 -4.328 1.00 73.05 H new ATOM 0 HZ PHE A 76 -2.257 -0.774 -1.894 1.00 2.30 H new