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 30:sc= 0.0909 USER MOD Single : A 13 TYR OH : rot 141:sc= -0.726 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0628 F(o=-1.3!,f=-0.063) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 1.29 (180deg=1.08) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 90:sc= 0.337 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 79:sc= 1.27 USER MOD Single : A 36 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.15) USER MOD Single : A 37 THR OG1 : rot 90:sc= 1.14 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.9!) USER MOD Single : A 60 THR OG1 : rot 67:sc= 0.829 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 69 GLN : amide:sc= -0.034 X(o=-0.034,f=-0.046) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.626 1.152 0.983 1.00 25.11 N ATOM 159 CA SER A 12 12.945 2.363 0.269 1.00 52.13 C ATOM 160 C SER A 12 11.648 3.033 -0.200 1.00 21.51 C ATOM 161 O SER A 12 11.500 4.240 -0.094 1.00 24.11 O ATOM 162 CB SER A 12 13.861 2.042 -0.906 1.00 2.34 C ATOM 163 OG SER A 12 15.059 1.421 -0.448 1.00 23.40 O ATOM 0 HA SER A 12 13.471 3.056 0.926 1.00 52.13 H new ATOM 0 HB2 SER A 12 13.347 1.383 -1.606 1.00 2.34 H new ATOM 0 HB3 SER A 12 14.102 2.957 -1.447 1.00 2.34 H new ATOM 0 HG SER A 12 14.874 0.921 0.374 1.00 23.40 H new ATOM 169 N TYR A 13 10.697 2.214 -0.656 1.00 15.25 N ATOM 170 CA TYR A 13 9.377 2.683 -1.051 1.00 44.42 C ATOM 171 C TYR A 13 8.670 3.354 0.129 1.00 43.52 C ATOM 172 O TYR A 13 8.091 4.430 -0.005 1.00 74.53 O ATOM 173 CB TYR A 13 8.534 1.516 -1.608 1.00 51.32 C ATOM 174 CG TYR A 13 7.075 1.845 -1.846 1.00 41.15 C ATOM 175 CD1 TYR A 13 6.677 2.597 -2.937 1.00 23.33 C ATOM 176 CD2 TYR A 13 6.097 1.406 -0.960 1.00 13.33 C ATOM 177 CE1 TYR A 13 5.347 2.906 -3.137 1.00 74.44 C ATOM 178 CE2 TYR A 13 4.768 1.708 -1.158 1.00 12.11 C ATOM 179 CZ TYR A 13 4.399 2.461 -2.245 1.00 50.00 C ATOM 180 OH TYR A 13 3.075 2.779 -2.436 1.00 65.31 O ATOM 0 H TYR A 13 10.826 1.207 -0.760 1.00 15.25 H new ATOM 0 HA TYR A 13 9.494 3.425 -1.841 1.00 44.42 H new ATOM 0 HB2 TYR A 13 8.975 1.183 -2.548 1.00 51.32 H new ATOM 0 HB3 TYR A 13 8.595 0.678 -0.913 1.00 51.32 H new ATOM 0 HD1 TYR A 13 7.417 2.947 -3.642 1.00 23.33 H new ATOM 0 HD2 TYR A 13 6.385 0.818 -0.101 1.00 13.33 H new ATOM 0 HE1 TYR A 13 5.051 3.496 -3.992 1.00 74.44 H new ATOM 0 HE2 TYR A 13 4.021 1.355 -0.463 1.00 12.11 H new ATOM 0 HH TYR A 13 2.516 2.010 -2.197 1.00 65.31 H new ATOM 190 N VAL A 14 8.732 2.717 1.274 1.00 24.04 N ATOM 191 CA VAL A 14 8.136 3.251 2.474 1.00 72.34 C ATOM 192 C VAL A 14 8.884 4.510 2.944 1.00 63.24 C ATOM 193 O VAL A 14 8.264 5.504 3.319 1.00 35.32 O ATOM 194 CB VAL A 14 8.061 2.198 3.609 1.00 52.33 C ATOM 195 CG1 VAL A 14 7.534 2.844 4.864 1.00 74.20 C ATOM 196 CG2 VAL A 14 7.146 1.050 3.204 1.00 41.22 C ATOM 0 H VAL A 14 9.195 1.817 1.399 1.00 24.04 H new ATOM 0 HA VAL A 14 7.112 3.529 2.226 1.00 72.34 H new ATOM 0 HB VAL A 14 9.061 1.805 3.792 1.00 52.33 H new ATOM 0 HG11 VAL A 14 7.482 2.102 5.661 1.00 74.20 H new ATOM 0 HG12 VAL A 14 8.200 3.653 5.164 1.00 74.20 H new ATOM 0 HG13 VAL A 14 6.538 3.245 4.676 1.00 74.20 H new ATOM 0 HG21 VAL A 14 7.102 0.318 4.010 1.00 41.22 H new ATOM 0 HG22 VAL A 14 6.145 1.434 3.008 1.00 41.22 H new ATOM 0 HG23 VAL A 14 7.535 0.575 2.303 1.00 41.22 H new ATOM 206 N ASN A 15 10.205 4.455 2.915 1.00 31.24 N ATOM 207 CA ASN A 15 11.066 5.573 3.264 1.00 10.30 C ATOM 208 C ASN A 15 10.713 6.809 2.419 1.00 74.54 C ATOM 209 O ASN A 15 10.744 7.952 2.925 1.00 71.15 O ATOM 210 CB ASN A 15 12.525 5.190 3.027 1.00 34.31 C ATOM 211 CG ASN A 15 13.504 6.109 3.709 1.00 60.25 C ATOM 212 OD1 ASN A 15 13.173 6.528 4.894 1.00 21.52 O flip ATOM 213 ND2 ASN A 15 14.593 6.378 3.194 1.00 64.33 N flip ATOM 0 H ASN A 15 10.719 3.617 2.643 1.00 31.24 H new ATOM 0 HA ASN A 15 10.917 5.814 4.316 1.00 10.30 H new ATOM 0 HB2 ASN A 15 12.687 4.172 3.380 1.00 34.31 H new ATOM 0 HB3 ASN A 15 12.723 5.191 1.955 1.00 34.31 H new ATOM 0 HD21 ASN A 15 14.816 6.030 2.261 1.00 64.33 H new ATOM 0 HD22 ASN A 15 15.270 6.948 3.701 1.00 64.33 H new ATOM 220 N LYS A 16 10.384 6.564 1.138 1.00 73.22 N ATOM 221 CA LYS A 16 9.900 7.610 0.227 1.00 63.44 C ATOM 222 C LYS A 16 8.681 8.266 0.838 1.00 13.31 C ATOM 223 O LYS A 16 8.646 9.476 1.021 1.00 51.12 O ATOM 224 CB LYS A 16 9.451 7.032 -1.123 1.00 43.43 C ATOM 225 CG LYS A 16 10.490 6.437 -2.024 1.00 2.32 C ATOM 226 CD LYS A 16 9.771 5.749 -3.174 1.00 42.54 C ATOM 227 CE LYS A 16 10.704 5.156 -4.182 1.00 45.44 C ATOM 228 NZ LYS A 16 11.233 6.170 -5.106 1.00 64.45 N ATOM 0 H LYS A 16 10.446 5.640 0.710 1.00 73.22 H new ATOM 0 HA LYS A 16 10.721 8.310 0.072 1.00 63.44 H new ATOM 0 HB2 LYS A 16 8.705 6.263 -0.923 1.00 43.43 H new ATOM 0 HB3 LYS A 16 8.949 7.827 -1.674 1.00 43.43 H new ATOM 0 HG2 LYS A 16 11.158 7.212 -2.400 1.00 2.32 H new ATOM 0 HG3 LYS A 16 11.106 5.723 -1.477 1.00 2.32 H new ATOM 0 HD2 LYS A 16 9.130 4.963 -2.775 1.00 42.54 H new ATOM 0 HD3 LYS A 16 9.120 6.469 -3.670 1.00 42.54 H new ATOM 0 HE2 LYS A 16 11.531 4.668 -3.667 1.00 45.44 H new ATOM 0 HE3 LYS A 16 10.182 4.385 -4.749 1.00 45.44 H new ATOM 0 HZ1 LYS A 16 12.111 5.820 -5.540 1.00 64.45 H new ATOM 0 HZ2 LYS A 16 10.532 6.362 -5.850 1.00 64.45 H new ATOM 0 HZ3 LYS A 16 11.431 7.047 -4.583 1.00 64.45 H new ATOM 242 N ILE A 17 7.698 7.431 1.185 1.00 34.34 N ATOM 243 CA ILE A 17 6.433 7.864 1.745 1.00 1.12 C ATOM 244 C ILE A 17 6.665 8.663 3.019 1.00 74.32 C ATOM 245 O ILE A 17 6.137 9.765 3.175 1.00 63.42 O ATOM 246 CB ILE A 17 5.535 6.652 2.086 1.00 73.51 C ATOM 247 CG1 ILE A 17 5.311 5.760 0.863 1.00 51.10 C ATOM 248 CG2 ILE A 17 4.213 7.132 2.625 1.00 22.21 C ATOM 249 CD1 ILE A 17 4.518 4.503 1.172 1.00 62.14 C ATOM 0 H ILE A 17 7.769 6.419 1.079 1.00 34.34 H new ATOM 0 HA ILE A 17 5.938 8.484 0.998 1.00 1.12 H new ATOM 0 HB ILE A 17 6.043 6.057 2.845 1.00 73.51 H new ATOM 0 HG12 ILE A 17 4.788 6.332 0.096 1.00 51.10 H new ATOM 0 HG13 ILE A 17 6.278 5.478 0.446 1.00 51.10 H new ATOM 0 HG21 ILE A 17 3.584 6.274 2.864 1.00 22.21 H new ATOM 0 HG22 ILE A 17 4.380 7.721 3.527 1.00 22.21 H new ATOM 0 HG23 ILE A 17 3.717 7.748 1.875 1.00 22.21 H new ATOM 0 HD11 ILE A 17 4.396 3.917 0.261 1.00 62.14 H new ATOM 0 HD12 ILE A 17 5.050 3.911 1.916 1.00 62.14 H new ATOM 0 HD13 ILE A 17 3.537 4.778 1.561 1.00 62.14 H new ATOM 261 N LYS A 18 7.486 8.106 3.902 1.00 64.25 N ATOM 262 CA LYS A 18 7.822 8.731 5.171 1.00 53.32 C ATOM 263 C LYS A 18 8.310 10.155 4.970 1.00 75.32 C ATOM 264 O LYS A 18 7.844 11.048 5.622 1.00 24.01 O ATOM 265 CB LYS A 18 8.904 7.938 5.922 1.00 74.44 C ATOM 266 CG LYS A 18 8.471 6.638 6.483 1.00 10.23 C ATOM 267 CD LYS A 18 9.590 6.007 7.266 1.00 61.13 C ATOM 268 CE LYS A 18 9.195 4.640 7.707 1.00 50.52 C ATOM 269 NZ LYS A 18 10.261 3.956 8.447 1.00 53.21 N ATOM 0 H LYS A 18 7.938 7.204 3.755 1.00 64.25 H new ATOM 0 HA LYS A 18 6.908 8.740 5.765 1.00 53.32 H new ATOM 0 HB2 LYS A 18 9.737 7.760 5.242 1.00 74.44 H new ATOM 0 HB3 LYS A 18 9.283 8.556 6.736 1.00 74.44 H new ATOM 0 HG2 LYS A 18 7.604 6.783 7.128 1.00 10.23 H new ATOM 0 HG3 LYS A 18 8.161 5.972 5.678 1.00 10.23 H new ATOM 0 HD2 LYS A 18 10.490 5.955 6.653 1.00 61.13 H new ATOM 0 HD3 LYS A 18 9.831 6.622 8.133 1.00 61.13 H new ATOM 0 HE2 LYS A 18 8.307 4.707 8.336 1.00 50.52 H new ATOM 0 HE3 LYS A 18 8.924 4.045 6.835 1.00 50.52 H new ATOM 0 HZ1 LYS A 18 9.935 3.010 8.731 1.00 53.21 H new ATOM 0 HZ2 LYS A 18 11.101 3.865 7.841 1.00 53.21 H new ATOM 0 HZ3 LYS A 18 10.504 4.507 9.295 1.00 53.21 H new ATOM 283 N THR A 19 9.228 10.319 4.037 1.00 3.34 N ATOM 284 CA THR A 19 9.867 11.562 3.697 1.00 5.14 C ATOM 285 C THR A 19 8.932 12.524 2.908 1.00 2.53 C ATOM 286 O THR A 19 8.833 13.717 3.207 1.00 12.33 O ATOM 287 CB THR A 19 11.086 11.177 2.843 1.00 41.31 C ATOM 288 OG1 THR A 19 12.088 10.498 3.622 1.00 30.45 O ATOM 289 CG2 THR A 19 11.648 12.319 2.054 1.00 4.01 C ATOM 0 H THR A 19 9.562 9.541 3.468 1.00 3.34 H new ATOM 0 HA THR A 19 10.143 12.105 4.601 1.00 5.14 H new ATOM 0 HB THR A 19 10.722 10.469 2.098 1.00 41.31 H new ATOM 0 HG1 THR A 19 11.920 9.533 3.602 1.00 30.45 H new ATOM 0 HG21 THR A 19 12.505 11.975 1.476 1.00 4.01 H new ATOM 0 HG22 THR A 19 10.885 12.704 1.378 1.00 4.01 H new ATOM 0 HG23 THR A 19 11.963 13.111 2.734 1.00 4.01 H new ATOM 297 N ARG A 20 8.259 12.000 1.929 1.00 51.30 N ATOM 298 CA ARG A 20 7.419 12.796 1.053 1.00 54.25 C ATOM 299 C ARG A 20 6.184 13.302 1.740 1.00 32.20 C ATOM 300 O ARG A 20 5.568 14.268 1.311 1.00 23.43 O ATOM 301 CB ARG A 20 7.093 11.996 -0.190 1.00 13.40 C ATOM 302 CG ARG A 20 8.258 11.947 -1.175 1.00 21.21 C ATOM 303 CD ARG A 20 8.530 13.315 -1.789 1.00 25.24 C ATOM 304 NE ARG A 20 9.676 13.295 -2.711 1.00 55.31 N ATOM 305 CZ ARG A 20 10.448 14.361 -2.996 1.00 63.14 C ATOM 306 NH1 ARG A 20 10.178 15.549 -2.442 1.00 63.24 N ATOM 307 NH2 ARG A 20 11.476 14.232 -3.835 1.00 3.52 N ATOM 0 H ARG A 20 8.270 11.005 1.705 1.00 51.30 H new ATOM 0 HA ARG A 20 7.973 13.689 0.763 1.00 54.25 H new ATOM 0 HB2 ARG A 20 6.821 10.980 0.097 1.00 13.40 H new ATOM 0 HB3 ARG A 20 6.224 12.433 -0.682 1.00 13.40 H new ATOM 0 HG2 ARG A 20 9.153 11.592 -0.664 1.00 21.21 H new ATOM 0 HG3 ARG A 20 8.037 11.230 -1.966 1.00 21.21 H new ATOM 0 HD2 ARG A 20 7.642 13.654 -2.323 1.00 25.24 H new ATOM 0 HD3 ARG A 20 8.719 14.037 -0.994 1.00 25.24 H new ATOM 0 HE ARG A 20 9.902 12.411 -3.167 1.00 55.31 H new ATOM 0 HH11 ARG A 20 9.388 15.647 -1.804 1.00 63.24 H new ATOM 0 HH12 ARG A 20 10.762 16.357 -2.657 1.00 63.24 H new ATOM 0 HH21 ARG A 20 11.677 13.327 -4.260 1.00 3.52 H new ATOM 0 HH22 ARG A 20 12.062 15.038 -4.052 1.00 3.52 H new ATOM 321 N PHE A 21 5.839 12.660 2.796 1.00 30.41 N ATOM 322 CA PHE A 21 4.706 13.025 3.581 1.00 10.45 C ATOM 323 C PHE A 21 5.176 13.135 5.012 1.00 4.35 C ATOM 324 O PHE A 21 4.464 12.829 5.962 1.00 53.41 O ATOM 325 CB PHE A 21 3.619 11.968 3.414 1.00 14.22 C ATOM 326 CG PHE A 21 3.216 11.755 1.971 1.00 22.12 C ATOM 327 CD1 PHE A 21 2.243 12.538 1.380 1.00 43.31 C ATOM 328 CD2 PHE A 21 3.813 10.767 1.213 1.00 65.11 C ATOM 329 CE1 PHE A 21 1.869 12.329 0.069 1.00 63.45 C ATOM 330 CE2 PHE A 21 3.453 10.556 -0.083 1.00 54.44 C ATOM 331 CZ PHE A 21 2.474 11.333 -0.664 1.00 21.35 C ATOM 0 H PHE A 21 6.344 11.848 3.150 1.00 30.41 H new ATOM 0 HA PHE A 21 4.278 13.978 3.268 1.00 10.45 H new ATOM 0 HB2 PHE A 21 3.971 11.024 3.830 1.00 14.22 H new ATOM 0 HB3 PHE A 21 2.742 12.263 3.990 1.00 14.22 H new ATOM 0 HD1 PHE A 21 1.770 13.323 1.951 1.00 43.31 H new ATOM 0 HD2 PHE A 21 4.580 10.150 1.657 1.00 65.11 H new ATOM 0 HE1 PHE A 21 1.104 12.945 -0.381 1.00 63.45 H new ATOM 0 HE2 PHE A 21 3.935 9.778 -0.657 1.00 54.44 H new ATOM 0 HZ PHE A 21 2.183 11.161 -1.690 1.00 21.35 H new ATOM 341 N LEU A 22 6.396 13.614 5.144 1.00 74.50 N ATOM 342 CA LEU A 22 7.073 13.751 6.411 1.00 25.43 C ATOM 343 C LEU A 22 6.382 14.780 7.268 1.00 45.15 C ATOM 344 O LEU A 22 6.248 14.614 8.473 1.00 44.41 O ATOM 345 CB LEU A 22 8.534 14.143 6.157 1.00 64.11 C ATOM 346 CG LEU A 22 9.606 13.278 6.765 1.00 64.11 C ATOM 347 CD1 LEU A 22 10.971 13.829 6.445 1.00 34.34 C ATOM 348 CD2 LEU A 22 9.413 13.171 8.221 1.00 50.01 C ATOM 0 H LEU A 22 6.956 13.926 4.351 1.00 74.50 H new ATOM 0 HA LEU A 22 7.045 12.801 6.946 1.00 25.43 H new ATOM 0 HB2 LEU A 22 8.693 14.166 5.079 1.00 64.11 H new ATOM 0 HB3 LEU A 22 8.677 15.160 6.522 1.00 64.11 H new ATOM 0 HG LEU A 22 9.533 12.279 6.336 1.00 64.11 H new ATOM 0 HD11 LEU A 22 11.734 13.192 6.892 1.00 34.34 H new ATOM 0 HD12 LEU A 22 11.108 13.856 5.364 1.00 34.34 H new ATOM 0 HD13 LEU A 22 11.059 14.838 6.847 1.00 34.34 H new ATOM 0 HD21 LEU A 22 10.195 12.543 8.647 1.00 50.01 H new ATOM 0 HD22 LEU A 22 9.461 14.164 8.668 1.00 50.01 H new ATOM 0 HD23 LEU A 22 8.439 12.727 8.427 1.00 50.01 H new ATOM 360 N ASP A 23 5.896 15.813 6.632 1.00 35.34 N ATOM 361 CA ASP A 23 5.231 16.889 7.341 1.00 43.43 C ATOM 362 C ASP A 23 3.731 16.613 7.426 1.00 61.03 C ATOM 363 O ASP A 23 2.977 17.359 8.046 1.00 51.11 O ATOM 364 CB ASP A 23 5.514 18.234 6.649 1.00 43.23 C ATOM 365 CG ASP A 23 5.062 19.427 7.462 1.00 23.44 C ATOM 366 OD1 ASP A 23 5.706 19.736 8.486 1.00 55.30 O ATOM 367 OD2 ASP A 23 4.083 20.096 7.080 1.00 50.52 O ATOM 0 H ASP A 23 5.945 15.938 5.621 1.00 35.34 H new ATOM 0 HA ASP A 23 5.622 16.945 8.357 1.00 43.43 H new ATOM 0 HB2 ASP A 23 6.583 18.318 6.455 1.00 43.23 H new ATOM 0 HB3 ASP A 23 5.013 18.250 5.681 1.00 43.23 H new ATOM 372 N HIS A 24 3.318 15.496 6.853 1.00 14.12 N ATOM 373 CA HIS A 24 1.918 15.124 6.804 1.00 30.53 C ATOM 374 C HIS A 24 1.718 13.785 7.525 1.00 13.30 C ATOM 375 O HIS A 24 1.755 12.716 6.903 1.00 22.12 O ATOM 376 CB HIS A 24 1.451 15.007 5.358 1.00 63.03 C ATOM 377 CG HIS A 24 1.654 16.221 4.525 1.00 22.34 C ATOM 378 ND1 HIS A 24 1.210 17.481 4.847 1.00 23.42 N ATOM 379 CD2 HIS A 24 2.295 16.338 3.367 1.00 54.22 C ATOM 380 CE1 HIS A 24 1.595 18.311 3.882 1.00 42.01 C ATOM 381 NE2 HIS A 24 2.267 17.662 2.947 1.00 55.53 N ATOM 0 H HIS A 24 3.944 14.823 6.410 1.00 14.12 H new ATOM 0 HA HIS A 24 1.329 15.896 7.299 1.00 30.53 H new ATOM 0 HB2 HIS A 24 1.975 14.174 4.890 1.00 63.03 H new ATOM 0 HB3 HIS A 24 0.390 14.758 5.355 1.00 63.03 H new ATOM 0 HD2 HIS A 24 2.767 15.526 2.833 1.00 54.22 H new ATOM 0 HE1 HIS A 24 1.387 19.371 3.865 1.00 42.01 H new ATOM 0 HE2 HIS A 24 2.678 18.050 2.098 1.00 55.53 H new ATOM 389 N PRO A 25 1.523 13.822 8.848 1.00 43.03 N ATOM 390 CA PRO A 25 1.455 12.625 9.682 1.00 3.32 C ATOM 391 C PRO A 25 0.319 11.674 9.318 1.00 14.22 C ATOM 392 O PRO A 25 0.550 10.456 9.188 1.00 34.51 O ATOM 393 CB PRO A 25 1.267 13.172 11.102 1.00 21.31 C ATOM 394 CG PRO A 25 1.714 14.584 11.027 1.00 3.53 C ATOM 395 CD PRO A 25 1.354 15.042 9.654 1.00 72.10 C ATOM 0 HA PRO A 25 2.353 12.020 9.555 1.00 3.32 H new ATOM 0 HB2 PRO A 25 0.226 13.103 11.418 1.00 21.31 H new ATOM 0 HB3 PRO A 25 1.857 12.608 11.824 1.00 21.31 H new ATOM 0 HG2 PRO A 25 1.222 15.193 11.786 1.00 3.53 H new ATOM 0 HG3 PRO A 25 2.787 14.666 11.200 1.00 3.53 H new ATOM 0 HD2 PRO A 25 0.332 15.419 9.608 1.00 72.10 H new ATOM 0 HD3 PRO A 25 2.006 15.846 9.312 1.00 72.10 H new ATOM 403 N GLU A 26 -0.878 12.211 9.112 1.00 2.01 N ATOM 404 CA GLU A 26 -2.047 11.398 8.867 1.00 11.54 C ATOM 405 C GLU A 26 -1.934 10.573 7.603 1.00 65.41 C ATOM 406 O GLU A 26 -2.389 9.456 7.579 1.00 52.33 O ATOM 407 CB GLU A 26 -3.296 12.239 8.799 1.00 45.43 C ATOM 408 CG GLU A 26 -3.333 13.174 7.618 1.00 61.54 C ATOM 409 CD GLU A 26 -4.585 13.953 7.574 1.00 61.22 C ATOM 410 OE1 GLU A 26 -4.739 14.875 8.383 1.00 23.14 O ATOM 411 OE2 GLU A 26 -5.462 13.646 6.735 1.00 4.44 O ATOM 0 H GLU A 26 -1.057 13.215 9.111 1.00 2.01 H new ATOM 0 HA GLU A 26 -2.113 10.713 9.712 1.00 11.54 H new ATOM 0 HB2 GLU A 26 -4.164 11.581 8.758 1.00 45.43 H new ATOM 0 HB3 GLU A 26 -3.381 12.822 9.716 1.00 45.43 H new ATOM 0 HG2 GLU A 26 -2.483 13.855 7.667 1.00 61.54 H new ATOM 0 HG3 GLU A 26 -3.229 12.600 6.697 1.00 61.54 H new ATOM 418 N ILE A 27 -1.303 11.123 6.579 1.00 42.33 N ATOM 419 CA ILE A 27 -1.190 10.479 5.275 1.00 4.43 C ATOM 420 C ILE A 27 -0.521 9.129 5.391 1.00 63.10 C ATOM 421 O ILE A 27 -0.956 8.151 4.779 1.00 14.52 O ATOM 422 CB ILE A 27 -0.431 11.398 4.297 1.00 54.21 C ATOM 423 CG1 ILE A 27 -1.270 12.672 4.082 1.00 75.42 C ATOM 424 CG2 ILE A 27 -0.105 10.689 2.976 1.00 13.30 C ATOM 425 CD1 ILE A 27 -0.723 13.616 3.055 1.00 75.25 C ATOM 0 H ILE A 27 -0.850 12.036 6.627 1.00 42.33 H new ATOM 0 HA ILE A 27 -2.193 10.310 4.882 1.00 4.43 H new ATOM 0 HB ILE A 27 0.534 11.669 4.726 1.00 54.21 H new ATOM 0 HG12 ILE A 27 -2.278 12.381 3.788 1.00 75.42 H new ATOM 0 HG13 ILE A 27 -1.355 13.200 5.032 1.00 75.42 H new ATOM 0 HG21 ILE A 27 0.430 11.374 2.318 1.00 13.30 H new ATOM 0 HG22 ILE A 27 0.518 9.817 3.175 1.00 13.30 H new ATOM 0 HG23 ILE A 27 -1.030 10.372 2.495 1.00 13.30 H new ATOM 0 HD11 ILE A 27 -1.379 14.483 2.972 1.00 75.25 H new ATOM 0 HD12 ILE A 27 0.273 13.942 3.354 1.00 75.25 H new ATOM 0 HD13 ILE A 27 -0.665 13.111 2.091 1.00 75.25 H new ATOM 437 N TYR A 28 0.475 9.070 6.243 1.00 23.30 N ATOM 438 CA TYR A 28 1.198 7.853 6.483 1.00 40.21 C ATOM 439 C TYR A 28 0.244 6.816 7.088 1.00 73.33 C ATOM 440 O TYR A 28 0.107 5.710 6.578 1.00 50.12 O ATOM 441 CB TYR A 28 2.348 8.119 7.456 1.00 40.35 C ATOM 442 CG TYR A 28 3.371 7.007 7.508 1.00 63.24 C ATOM 443 CD1 TYR A 28 4.326 6.861 6.505 1.00 40.34 C ATOM 444 CD2 TYR A 28 3.373 6.092 8.548 1.00 75.12 C ATOM 445 CE1 TYR A 28 5.240 5.835 6.543 1.00 2.34 C ATOM 446 CE2 TYR A 28 4.290 5.063 8.591 1.00 73.14 C ATOM 447 CZ TYR A 28 5.215 4.935 7.589 1.00 1.34 C ATOM 448 OH TYR A 28 6.132 3.917 7.640 1.00 11.14 O ATOM 0 H TYR A 28 0.804 9.867 6.788 1.00 23.30 H new ATOM 0 HA TYR A 28 1.605 7.478 5.544 1.00 40.21 H new ATOM 0 HB2 TYR A 28 2.846 9.046 7.171 1.00 40.35 H new ATOM 0 HB3 TYR A 28 1.939 8.271 8.455 1.00 40.35 H new ATOM 0 HD1 TYR A 28 4.349 7.564 5.685 1.00 40.34 H new ATOM 0 HD2 TYR A 28 2.644 6.186 9.339 1.00 75.12 H new ATOM 0 HE1 TYR A 28 5.974 5.734 5.758 1.00 2.34 H new ATOM 0 HE2 TYR A 28 4.279 4.361 9.411 1.00 73.14 H new ATOM 0 HH TYR A 28 5.975 3.375 8.442 1.00 11.14 H new ATOM 458 N ARG A 29 -0.479 7.225 8.128 1.00 31.02 N ATOM 459 CA ARG A 29 -1.361 6.308 8.847 1.00 44.12 C ATOM 460 C ARG A 29 -2.597 5.949 8.026 1.00 73.34 C ATOM 461 O ARG A 29 -3.055 4.809 8.050 1.00 4.04 O ATOM 462 CB ARG A 29 -1.793 6.835 10.240 1.00 42.20 C ATOM 463 CG ARG A 29 -0.695 6.906 11.300 1.00 21.03 C ATOM 464 CD ARG A 29 0.276 8.045 11.067 1.00 23.43 C ATOM 465 NE ARG A 29 1.379 8.015 12.026 1.00 41.23 N ATOM 466 CZ ARG A 29 2.447 8.821 12.036 1.00 61.03 C ATOM 467 NH1 ARG A 29 2.578 9.783 11.126 1.00 2.33 N ATOM 468 NH2 ARG A 29 3.374 8.668 12.974 1.00 31.22 N ATOM 0 H ARG A 29 -0.472 8.179 8.490 1.00 31.02 H new ATOM 0 HA ARG A 29 -0.766 5.409 9.008 1.00 44.12 H new ATOM 0 HB2 ARG A 29 -2.214 7.833 10.114 1.00 42.20 H new ATOM 0 HB3 ARG A 29 -2.593 6.197 10.616 1.00 42.20 H new ATOM 0 HG2 ARG A 29 -1.152 7.020 12.283 1.00 21.03 H new ATOM 0 HG3 ARG A 29 -0.146 5.964 11.311 1.00 21.03 H new ATOM 0 HD2 ARG A 29 0.672 7.985 10.053 1.00 23.43 H new ATOM 0 HD3 ARG A 29 -0.251 8.996 11.147 1.00 23.43 H new ATOM 0 HE ARG A 29 1.329 7.309 12.761 1.00 41.23 H new ATOM 0 HH11 ARG A 29 1.861 9.911 10.412 1.00 2.33 H new ATOM 0 HH12 ARG A 29 3.396 10.392 11.142 1.00 2.33 H new ATOM 0 HH21 ARG A 29 3.269 7.940 13.681 1.00 31.22 H new ATOM 0 HH22 ARG A 29 4.191 9.279 12.988 1.00 31.22 H new ATOM 482 N SER A 30 -3.106 6.919 7.288 1.00 3.12 N ATOM 483 CA SER A 30 -4.286 6.740 6.463 1.00 14.12 C ATOM 484 C SER A 30 -4.023 5.732 5.369 1.00 73.34 C ATOM 485 O SER A 30 -4.920 5.019 4.945 1.00 23.04 O ATOM 486 CB SER A 30 -4.733 8.075 5.873 1.00 74.35 C ATOM 487 OG SER A 30 -4.958 9.024 6.905 1.00 11.43 O ATOM 0 H SER A 30 -2.710 7.858 7.244 1.00 3.12 H new ATOM 0 HA SER A 30 -5.090 6.357 7.091 1.00 14.12 H new ATOM 0 HB2 SER A 30 -3.973 8.449 5.187 1.00 74.35 H new ATOM 0 HB3 SER A 30 -5.646 7.936 5.293 1.00 74.35 H new ATOM 0 HG SER A 30 -4.100 9.388 7.208 1.00 11.43 H new ATOM 493 N PHE A 31 -2.817 5.704 4.875 1.00 32.12 N ATOM 494 CA PHE A 31 -2.459 4.696 3.934 1.00 33.43 C ATOM 495 C PHE A 31 -2.252 3.342 4.605 1.00 12.32 C ATOM 496 O PHE A 31 -2.713 2.313 4.093 1.00 72.33 O ATOM 497 CB PHE A 31 -1.274 5.103 3.079 1.00 40.41 C ATOM 498 CG PHE A 31 -0.643 3.925 2.412 1.00 64.22 C ATOM 499 CD1 PHE A 31 -1.260 3.320 1.335 1.00 63.35 C ATOM 500 CD2 PHE A 31 0.528 3.387 2.908 1.00 12.53 C ATOM 501 CE1 PHE A 31 -0.718 2.203 0.751 1.00 31.01 C ATOM 502 CE2 PHE A 31 1.084 2.262 2.334 1.00 51.53 C ATOM 503 CZ PHE A 31 0.457 1.664 1.251 1.00 62.42 C ATOM 0 H PHE A 31 -2.075 6.364 5.109 1.00 32.12 H new ATOM 0 HA PHE A 31 -3.303 4.584 3.253 1.00 33.43 H new ATOM 0 HB2 PHE A 31 -1.599 5.818 2.323 1.00 40.41 H new ATOM 0 HB3 PHE A 31 -0.534 5.609 3.699 1.00 40.41 H new ATOM 0 HD1 PHE A 31 -2.180 3.731 0.948 1.00 63.35 H new ATOM 0 HD2 PHE A 31 1.014 3.851 3.754 1.00 12.53 H new ATOM 0 HE1 PHE A 31 -1.206 1.745 -0.097 1.00 31.01 H new ATOM 0 HE2 PHE A 31 2.002 1.850 2.726 1.00 51.53 H new ATOM 0 HZ PHE A 31 0.883 0.781 0.799 1.00 62.42 H new ATOM 513 N LEU A 32 -1.555 3.338 5.736 1.00 32.20 N ATOM 514 CA LEU A 32 -1.294 2.116 6.479 1.00 2.40 C ATOM 515 C LEU A 32 -2.568 1.382 6.785 1.00 10.01 C ATOM 516 O LEU A 32 -2.620 0.166 6.679 1.00 73.40 O ATOM 517 CB LEU A 32 -0.570 2.415 7.774 1.00 11.02 C ATOM 518 CG LEU A 32 0.836 2.964 7.663 1.00 65.21 C ATOM 519 CD1 LEU A 32 1.370 3.219 9.044 1.00 63.11 C ATOM 520 CD2 LEU A 32 1.748 2.009 6.893 1.00 34.31 C ATOM 0 H LEU A 32 -1.158 4.177 6.159 1.00 32.20 H new ATOM 0 HA LEU A 32 -0.664 1.486 5.851 1.00 2.40 H new ATOM 0 HB2 LEU A 32 -1.169 3.128 8.340 1.00 11.02 H new ATOM 0 HB3 LEU A 32 -0.530 1.497 8.360 1.00 11.02 H new ATOM 0 HG LEU A 32 0.810 3.899 7.104 1.00 65.21 H new ATOM 0 HD11 LEU A 32 2.383 3.615 8.975 1.00 63.11 H new ATOM 0 HD12 LEU A 32 0.732 3.941 9.553 1.00 63.11 H new ATOM 0 HD13 LEU A 32 1.383 2.286 9.607 1.00 63.11 H new ATOM 0 HD21 LEU A 32 2.750 2.433 6.831 1.00 34.31 H new ATOM 0 HD22 LEU A 32 1.791 1.051 7.410 1.00 34.31 H new ATOM 0 HD23 LEU A 32 1.354 1.861 5.887 1.00 34.31 H new ATOM 532 N GLU A 33 -3.611 2.131 7.103 1.00 34.31 N ATOM 533 CA GLU A 33 -4.882 1.553 7.444 1.00 24.20 C ATOM 534 C GLU A 33 -5.463 0.790 6.259 1.00 25.41 C ATOM 535 O GLU A 33 -6.128 -0.204 6.441 1.00 20.32 O ATOM 536 CB GLU A 33 -5.842 2.630 7.947 1.00 72.25 C ATOM 537 CG GLU A 33 -6.558 3.449 6.882 1.00 23.13 C ATOM 538 CD GLU A 33 -7.414 4.519 7.493 1.00 11.40 C ATOM 539 OE1 GLU A 33 -6.882 5.574 7.877 1.00 34.51 O ATOM 540 OE2 GLU A 33 -8.640 4.314 7.636 1.00 74.03 O ATOM 0 H GLU A 33 -3.592 3.150 7.129 1.00 34.31 H new ATOM 0 HA GLU A 33 -4.734 0.837 8.253 1.00 24.20 H new ATOM 0 HB2 GLU A 33 -6.595 2.151 8.573 1.00 72.25 H new ATOM 0 HB3 GLU A 33 -5.284 3.314 8.586 1.00 72.25 H new ATOM 0 HG2 GLU A 33 -5.824 3.904 6.217 1.00 23.13 H new ATOM 0 HG3 GLU A 33 -7.177 2.792 6.271 1.00 23.13 H new ATOM 547 N ILE A 34 -5.152 1.236 5.051 1.00 70.41 N ATOM 548 CA ILE A 34 -5.605 0.602 3.857 1.00 70.44 C ATOM 549 C ILE A 34 -4.847 -0.677 3.669 1.00 72.11 C ATOM 550 O ILE A 34 -5.423 -1.687 3.364 1.00 1.54 O ATOM 551 CB ILE A 34 -5.369 1.516 2.644 1.00 50.40 C ATOM 552 CG1 ILE A 34 -6.164 2.805 2.820 1.00 74.22 C ATOM 553 CG2 ILE A 34 -5.730 0.797 1.340 1.00 1.52 C ATOM 554 CD1 ILE A 34 -5.835 3.870 1.820 1.00 20.04 C ATOM 0 H ILE A 34 -4.571 2.058 4.888 1.00 70.41 H new ATOM 0 HA ILE A 34 -6.673 0.399 3.941 1.00 70.44 H new ATOM 0 HB ILE A 34 -4.311 1.770 2.582 1.00 50.40 H new ATOM 0 HG12 ILE A 34 -7.227 2.575 2.753 1.00 74.22 H new ATOM 0 HG13 ILE A 34 -5.985 3.195 3.822 1.00 74.22 H new ATOM 0 HG21 ILE A 34 -5.555 1.464 0.496 1.00 1.52 H new ATOM 0 HG22 ILE A 34 -5.112 -0.094 1.233 1.00 1.52 H new ATOM 0 HG23 ILE A 34 -6.781 0.509 1.362 1.00 1.52 H new ATOM 0 HD11 ILE A 34 -6.444 4.753 2.015 1.00 20.04 H new ATOM 0 HD12 ILE A 34 -4.780 4.132 1.901 1.00 20.04 H new ATOM 0 HD13 ILE A 34 -6.042 3.502 0.815 1.00 20.04 H new ATOM 566 N LEU A 35 -3.553 -0.622 3.898 1.00 42.11 N ATOM 567 CA LEU A 35 -2.693 -1.754 3.728 1.00 15.44 C ATOM 568 C LEU A 35 -3.039 -2.830 4.782 1.00 53.13 C ATOM 569 O LEU A 35 -3.113 -4.019 4.469 1.00 70.04 O ATOM 570 CB LEU A 35 -1.250 -1.266 3.848 1.00 21.23 C ATOM 571 CG LEU A 35 -0.157 -2.048 3.104 1.00 22.43 C ATOM 572 CD1 LEU A 35 0.058 -3.442 3.676 1.00 1.13 C ATOM 573 CD2 LEU A 35 -0.450 -2.115 1.597 1.00 52.30 C ATOM 0 H LEU A 35 -3.072 0.221 4.210 1.00 42.11 H new ATOM 0 HA LEU A 35 -2.826 -2.215 2.749 1.00 15.44 H new ATOM 0 HB2 LEU A 35 -1.217 -0.234 3.499 1.00 21.23 H new ATOM 0 HB3 LEU A 35 -0.989 -1.254 4.906 1.00 21.23 H new ATOM 0 HG LEU A 35 0.772 -1.498 3.251 1.00 22.43 H new ATOM 0 HD11 LEU A 35 0.841 -3.950 3.113 1.00 1.13 H new ATOM 0 HD12 LEU A 35 0.356 -3.364 4.722 1.00 1.13 H new ATOM 0 HD13 LEU A 35 -0.868 -4.012 3.604 1.00 1.13 H new ATOM 0 HD21 LEU A 35 0.341 -2.674 1.097 1.00 52.30 H new ATOM 0 HD22 LEU A 35 -1.406 -2.613 1.434 1.00 52.30 H new ATOM 0 HD23 LEU A 35 -0.493 -1.105 1.189 1.00 52.30 H new ATOM 585 N HIS A 36 -3.286 -2.397 6.008 1.00 24.32 N ATOM 586 CA HIS A 36 -3.694 -3.303 7.085 1.00 53.01 C ATOM 587 C HIS A 36 -5.071 -3.902 6.778 1.00 4.30 C ATOM 588 O HIS A 36 -5.328 -5.083 7.043 1.00 54.20 O ATOM 589 CB HIS A 36 -3.717 -2.583 8.448 1.00 22.24 C ATOM 590 CG HIS A 36 -2.371 -2.114 8.940 1.00 51.13 C ATOM 591 ND1 HIS A 36 -2.128 -0.849 9.443 1.00 1.14 N ATOM 592 CD2 HIS A 36 -1.193 -2.780 9.031 1.00 4.42 C ATOM 593 CE1 HIS A 36 -0.850 -0.789 9.812 1.00 5.22 C ATOM 594 NE2 HIS A 36 -0.230 -1.937 9.582 1.00 24.21 N ATOM 0 H HIS A 36 -3.212 -1.419 6.289 1.00 24.32 H new ATOM 0 HA HIS A 36 -2.960 -4.106 7.144 1.00 53.01 H new ATOM 0 HB2 HIS A 36 -4.382 -1.722 8.377 1.00 22.24 H new ATOM 0 HB3 HIS A 36 -4.145 -3.256 9.191 1.00 22.24 H new ATOM 0 HD2 HIS A 36 -1.027 -3.802 8.725 1.00 4.42 H new ATOM 0 HE1 HIS A 36 -0.380 0.083 10.243 1.00 5.22 H new ATOM 0 HE2 HIS A 36 0.748 -2.158 9.769 1.00 24.21 H new ATOM 602 N THR A 37 -5.937 -3.079 6.221 1.00 1.31 N ATOM 603 CA THR A 37 -7.245 -3.478 5.766 1.00 22.44 C ATOM 604 C THR A 37 -7.113 -4.508 4.647 1.00 25.11 C ATOM 605 O THR A 37 -7.750 -5.562 4.672 1.00 13.23 O ATOM 606 CB THR A 37 -7.978 -2.200 5.286 1.00 10.45 C ATOM 607 OG1 THR A 37 -8.489 -1.455 6.395 1.00 2.55 O ATOM 608 CG2 THR A 37 -9.022 -2.414 4.204 1.00 11.21 C ATOM 0 H THR A 37 -5.741 -2.089 6.070 1.00 1.31 H new ATOM 0 HA THR A 37 -7.818 -3.948 6.566 1.00 22.44 H new ATOM 0 HB THR A 37 -7.213 -1.605 4.787 1.00 10.45 H new ATOM 0 HG1 THR A 37 -7.813 -0.813 6.697 1.00 2.55 H new ATOM 0 HG21 THR A 37 -9.474 -1.458 3.941 1.00 11.21 H new ATOM 0 HG22 THR A 37 -8.549 -2.847 3.322 1.00 11.21 H new ATOM 0 HG23 THR A 37 -9.793 -3.091 4.571 1.00 11.21 H new ATOM 616 N TYR A 38 -6.230 -4.202 3.735 1.00 4.01 N ATOM 617 CA TYR A 38 -5.953 -4.971 2.563 1.00 20.23 C ATOM 618 C TYR A 38 -5.559 -6.385 2.916 1.00 65.54 C ATOM 619 O TYR A 38 -6.158 -7.326 2.419 1.00 64.20 O ATOM 620 CB TYR A 38 -4.838 -4.272 1.806 1.00 15.35 C ATOM 621 CG TYR A 38 -4.509 -4.833 0.482 1.00 11.32 C ATOM 622 CD1 TYR A 38 -5.387 -4.680 -0.540 1.00 34.42 C ATOM 623 CD2 TYR A 38 -3.299 -5.465 0.241 1.00 50.52 C ATOM 624 CE1 TYR A 38 -5.090 -5.140 -1.811 1.00 25.04 C ATOM 625 CE2 TYR A 38 -2.989 -5.939 -1.016 1.00 2.14 C ATOM 626 CZ TYR A 38 -3.892 -5.771 -2.041 1.00 53.54 C ATOM 627 OH TYR A 38 -3.591 -6.216 -3.297 1.00 32.43 O ATOM 0 H TYR A 38 -5.655 -3.362 3.798 1.00 4.01 H new ATOM 0 HA TYR A 38 -6.847 -5.040 1.943 1.00 20.23 H new ATOM 0 HB2 TYR A 38 -5.113 -3.225 1.678 1.00 15.35 H new ATOM 0 HB3 TYR A 38 -3.939 -4.292 2.422 1.00 15.35 H new ATOM 0 HD1 TYR A 38 -6.333 -4.191 -0.359 1.00 34.42 H new ATOM 0 HD2 TYR A 38 -2.591 -5.588 1.047 1.00 50.52 H new ATOM 0 HE1 TYR A 38 -5.796 -5.004 -2.617 1.00 25.04 H new ATOM 0 HE2 TYR A 38 -2.047 -6.437 -1.194 1.00 2.14 H new ATOM 0 HH TYR A 38 -2.707 -6.638 -3.291 1.00 32.43 H new ATOM 637 N GLN A 39 -4.581 -6.522 3.801 1.00 32.33 N ATOM 638 CA GLN A 39 -4.101 -7.829 4.217 1.00 53.25 C ATOM 639 C GLN A 39 -5.234 -8.665 4.800 1.00 34.12 C ATOM 640 O GLN A 39 -5.462 -9.801 4.386 1.00 73.23 O ATOM 641 CB GLN A 39 -2.983 -7.689 5.246 1.00 52.25 C ATOM 642 CG GLN A 39 -1.753 -6.930 4.758 1.00 53.42 C ATOM 643 CD GLN A 39 -1.011 -7.588 3.595 1.00 30.20 C ATOM 644 OE1 GLN A 39 -1.596 -8.276 2.747 1.00 20.02 O ATOM 645 NE2 GLN A 39 0.286 -7.405 3.558 1.00 5.34 N ATOM 0 H GLN A 39 -4.103 -5.738 4.246 1.00 32.33 H new ATOM 0 HA GLN A 39 -3.710 -8.336 3.335 1.00 53.25 H new ATOM 0 HB2 GLN A 39 -3.380 -7.182 6.125 1.00 52.25 H new ATOM 0 HB3 GLN A 39 -2.675 -8.685 5.564 1.00 52.25 H new ATOM 0 HG2 GLN A 39 -2.058 -5.928 4.455 1.00 53.42 H new ATOM 0 HG3 GLN A 39 -1.061 -6.814 5.592 1.00 53.42 H new ATOM 0 HE21 GLN A 39 0.741 -6.833 4.270 1.00 5.34 H new ATOM 0 HE22 GLN A 39 0.841 -7.834 2.817 1.00 5.34 H new ATOM 904 N GLU A 55 -8.541 -5.209 -5.266 1.00 11.54 N ATOM 905 CA GLU A 55 -7.290 -4.560 -5.518 1.00 51.52 C ATOM 906 C GLU A 55 -7.504 -3.177 -6.162 1.00 5.01 C ATOM 907 O GLU A 55 -6.798 -2.223 -5.868 1.00 35.11 O ATOM 908 CB GLU A 55 -6.549 -5.468 -6.453 1.00 20.43 C ATOM 909 CG GLU A 55 -5.146 -5.099 -6.698 1.00 52.23 C ATOM 910 CD GLU A 55 -4.523 -6.027 -7.682 1.00 62.32 C ATOM 911 OE1 GLU A 55 -4.205 -7.182 -7.329 1.00 62.20 O ATOM 912 OE2 GLU A 55 -4.401 -5.648 -8.863 1.00 73.42 O ATOM 0 HA GLU A 55 -6.737 -4.388 -4.595 1.00 51.52 H new ATOM 0 HB2 GLU A 55 -6.577 -6.481 -6.050 1.00 20.43 H new ATOM 0 HB3 GLU A 55 -7.075 -5.489 -7.407 1.00 20.43 H new ATOM 0 HG2 GLU A 55 -5.093 -4.076 -7.071 1.00 52.23 H new ATOM 0 HG3 GLU A 55 -4.589 -5.126 -5.762 1.00 52.23 H new ATOM 919 N GLU A 56 -8.511 -3.090 -7.000 1.00 63.22 N ATOM 920 CA GLU A 56 -8.877 -1.893 -7.673 1.00 71.13 C ATOM 921 C GLU A 56 -9.351 -0.797 -6.713 1.00 71.32 C ATOM 922 O GLU A 56 -8.869 0.325 -6.776 1.00 13.12 O ATOM 923 CB GLU A 56 -9.947 -2.238 -8.651 1.00 71.04 C ATOM 924 CG GLU A 56 -9.476 -3.173 -9.732 1.00 25.54 C ATOM 925 CD GLU A 56 -10.571 -3.546 -10.671 1.00 11.13 C ATOM 926 OE1 GLU A 56 -10.921 -2.735 -11.548 1.00 62.12 O ATOM 927 OE2 GLU A 56 -11.091 -4.669 -10.571 1.00 40.50 O ATOM 0 H GLU A 56 -9.109 -3.883 -7.231 1.00 63.22 H new ATOM 0 HA GLU A 56 -8.001 -1.485 -8.178 1.00 71.13 H new ATOM 0 HB2 GLU A 56 -10.782 -2.696 -8.121 1.00 71.04 H new ATOM 0 HB3 GLU A 56 -10.323 -1.323 -9.108 1.00 71.04 H new ATOM 0 HG2 GLU A 56 -8.666 -2.702 -10.290 1.00 25.54 H new ATOM 0 HG3 GLU A 56 -9.067 -4.075 -9.277 1.00 25.54 H new ATOM 934 N GLU A 57 -10.246 -1.142 -5.785 1.00 1.12 N ATOM 935 CA GLU A 57 -10.802 -0.156 -4.851 1.00 24.02 C ATOM 936 C GLU A 57 -9.749 0.190 -3.805 1.00 21.24 C ATOM 937 O GLU A 57 -9.804 1.244 -3.141 1.00 22.24 O ATOM 938 CB GLU A 57 -12.069 -0.693 -4.207 1.00 23.43 C ATOM 939 CG GLU A 57 -11.804 -1.607 -3.069 1.00 24.14 C ATOM 940 CD GLU A 57 -13.026 -2.317 -2.598 1.00 70.21 C ATOM 941 OE1 GLU A 57 -13.382 -3.329 -3.215 1.00 33.43 O ATOM 942 OE2 GLU A 57 -13.650 -1.875 -1.618 1.00 3.05 O ATOM 0 H GLU A 57 -10.601 -2.090 -5.659 1.00 1.12 H new ATOM 0 HA GLU A 57 -11.070 0.752 -5.390 1.00 24.02 H new ATOM 0 HB2 GLU A 57 -12.675 0.144 -3.859 1.00 23.43 H new ATOM 0 HB3 GLU A 57 -12.656 -1.220 -4.959 1.00 23.43 H new ATOM 0 HG2 GLU A 57 -11.055 -2.341 -3.366 1.00 24.14 H new ATOM 0 HG3 GLU A 57 -11.380 -1.036 -2.243 1.00 24.14 H new ATOM 949 N VAL A 58 -8.799 -0.715 -3.666 1.00 44.12 N ATOM 950 CA VAL A 58 -7.668 -0.534 -2.845 1.00 60.22 C ATOM 951 C VAL A 58 -6.800 0.532 -3.472 1.00 62.42 C ATOM 952 O VAL A 58 -6.517 1.567 -2.855 1.00 53.41 O ATOM 953 CB VAL A 58 -6.889 -1.861 -2.753 1.00 0.31 C ATOM 954 CG1 VAL A 58 -5.524 -1.673 -2.160 1.00 24.42 C ATOM 955 CG2 VAL A 58 -7.666 -2.853 -1.945 1.00 24.53 C ATOM 0 H VAL A 58 -8.815 -1.615 -4.145 1.00 44.12 H new ATOM 0 HA VAL A 58 -7.965 -0.230 -1.841 1.00 60.22 H new ATOM 0 HB VAL A 58 -6.756 -2.236 -3.768 1.00 0.31 H new ATOM 0 HG11 VAL A 58 -5.012 -2.634 -2.115 1.00 24.42 H new ATOM 0 HG12 VAL A 58 -4.950 -0.984 -2.780 1.00 24.42 H new ATOM 0 HG13 VAL A 58 -5.618 -1.264 -1.154 1.00 24.42 H new ATOM 0 HG21 VAL A 58 -7.110 -3.788 -1.884 1.00 24.53 H new ATOM 0 HG22 VAL A 58 -7.825 -2.460 -0.941 1.00 24.53 H new ATOM 0 HG23 VAL A 58 -8.630 -3.035 -2.421 1.00 24.53 H new ATOM 965 N PHE A 59 -6.464 0.304 -4.740 1.00 32.40 N ATOM 966 CA PHE A 59 -5.619 1.181 -5.509 1.00 12.15 C ATOM 967 C PHE A 59 -6.213 2.581 -5.571 1.00 40.13 C ATOM 968 O PHE A 59 -5.483 3.544 -5.569 1.00 14.04 O ATOM 969 CB PHE A 59 -5.381 0.598 -6.914 1.00 44.10 C ATOM 970 CG PHE A 59 -4.360 1.349 -7.739 1.00 42.23 C ATOM 971 CD1 PHE A 59 -3.003 1.146 -7.531 1.00 23.02 C ATOM 972 CD2 PHE A 59 -4.754 2.254 -8.715 1.00 31.34 C ATOM 973 CE1 PHE A 59 -2.060 1.829 -8.277 1.00 20.40 C ATOM 974 CE2 PHE A 59 -3.817 2.940 -9.463 1.00 44.42 C ATOM 975 CZ PHE A 59 -2.467 2.727 -9.243 1.00 5.13 C ATOM 0 H PHE A 59 -6.783 -0.513 -5.260 1.00 32.40 H new ATOM 0 HA PHE A 59 -4.651 1.261 -5.015 1.00 12.15 H new ATOM 0 HB2 PHE A 59 -5.058 -0.438 -6.814 1.00 44.10 H new ATOM 0 HB3 PHE A 59 -6.328 0.586 -7.454 1.00 44.10 H new ATOM 0 HD1 PHE A 59 -2.679 0.445 -6.776 1.00 23.02 H new ATOM 0 HD2 PHE A 59 -5.806 2.424 -8.892 1.00 31.34 H new ATOM 0 HE1 PHE A 59 -1.007 1.660 -8.104 1.00 20.40 H new ATOM 0 HE2 PHE A 59 -4.137 3.642 -10.219 1.00 44.42 H new ATOM 0 HZ PHE A 59 -1.733 3.263 -9.827 1.00 5.13 H new ATOM 985 N THR A 60 -7.543 2.674 -5.571 1.00 64.45 N ATOM 986 CA THR A 60 -8.238 3.893 -5.545 1.00 41.00 C ATOM 987 C THR A 60 -7.803 4.766 -4.355 1.00 63.30 C ATOM 988 O THR A 60 -7.373 5.899 -4.543 1.00 4.14 O ATOM 989 CB THR A 60 -9.725 3.578 -5.428 1.00 12.42 C ATOM 990 OG1 THR A 60 -10.170 2.846 -6.575 1.00 71.20 O ATOM 991 CG2 THR A 60 -10.513 4.819 -5.271 1.00 43.54 C ATOM 0 H THR A 60 -8.155 1.858 -5.590 1.00 64.45 H new ATOM 0 HA THR A 60 -8.021 4.450 -6.457 1.00 41.00 H new ATOM 0 HB THR A 60 -9.876 2.963 -4.541 1.00 12.42 H new ATOM 0 HG1 THR A 60 -9.751 1.960 -6.581 1.00 71.20 H new ATOM 0 HG21 THR A 60 -11.571 4.570 -5.189 1.00 43.54 H new ATOM 0 HG22 THR A 60 -10.193 5.342 -4.370 1.00 43.54 H new ATOM 0 HG23 THR A 60 -10.357 5.461 -6.138 1.00 43.54 H new ATOM 999 N GLU A 61 -7.845 4.212 -3.150 1.00 12.51 N ATOM 1000 CA GLU A 61 -7.564 4.990 -1.970 1.00 50.04 C ATOM 1001 C GLU A 61 -6.080 5.248 -1.846 1.00 23.21 C ATOM 1002 O GLU A 61 -5.668 6.294 -1.361 1.00 64.04 O ATOM 1003 CB GLU A 61 -8.101 4.299 -0.729 1.00 73.12 C ATOM 1004 CG GLU A 61 -9.590 4.110 -0.766 1.00 61.10 C ATOM 1005 CD GLU A 61 -10.159 3.450 0.464 1.00 51.01 C ATOM 1006 OE1 GLU A 61 -9.405 2.941 1.301 1.00 22.01 O ATOM 1007 OE2 GLU A 61 -11.404 3.421 0.595 1.00 74.02 O ATOM 0 H GLU A 61 -8.070 3.233 -2.974 1.00 12.51 H new ATOM 0 HA GLU A 61 -8.069 5.951 -2.064 1.00 50.04 H new ATOM 0 HB2 GLU A 61 -7.619 3.327 -0.622 1.00 73.12 H new ATOM 0 HB3 GLU A 61 -7.836 4.885 0.151 1.00 73.12 H new ATOM 0 HG2 GLU A 61 -10.065 5.082 -0.896 1.00 61.10 H new ATOM 0 HG3 GLU A 61 -9.847 3.510 -1.639 1.00 61.10 H new ATOM 1014 N VAL A 62 -5.290 4.302 -2.316 1.00 24.40 N ATOM 1015 CA VAL A 62 -3.846 4.423 -2.293 1.00 2.13 C ATOM 1016 C VAL A 62 -3.386 5.507 -3.290 1.00 11.23 C ATOM 1017 O VAL A 62 -2.586 6.382 -2.948 1.00 60.23 O ATOM 1018 CB VAL A 62 -3.166 3.066 -2.615 1.00 43.00 C ATOM 1019 CG1 VAL A 62 -1.676 3.169 -2.476 1.00 75.53 C ATOM 1020 CG2 VAL A 62 -3.683 1.977 -1.694 1.00 61.30 C ATOM 0 H VAL A 62 -5.630 3.431 -2.723 1.00 24.40 H new ATOM 0 HA VAL A 62 -3.545 4.718 -1.288 1.00 2.13 H new ATOM 0 HB VAL A 62 -3.410 2.810 -3.646 1.00 43.00 H new ATOM 0 HG11 VAL A 62 -1.222 2.205 -2.707 1.00 75.53 H new ATOM 0 HG12 VAL A 62 -1.297 3.923 -3.166 1.00 75.53 H new ATOM 0 HG13 VAL A 62 -1.425 3.453 -1.454 1.00 75.53 H new ATOM 0 HG21 VAL A 62 -3.194 1.033 -1.936 1.00 61.30 H new ATOM 0 HG22 VAL A 62 -3.467 2.243 -0.659 1.00 61.30 H new ATOM 0 HG23 VAL A 62 -4.760 1.871 -1.824 1.00 61.30 H new ATOM 1030 N ALA A 63 -3.945 5.474 -4.496 1.00 2.25 N ATOM 1031 CA ALA A 63 -3.637 6.460 -5.533 1.00 2.23 C ATOM 1032 C ALA A 63 -4.109 7.828 -5.107 1.00 71.11 C ATOM 1033 O ALA A 63 -3.488 8.835 -5.415 1.00 72.45 O ATOM 1034 CB ALA A 63 -4.260 6.070 -6.869 1.00 30.22 C ATOM 0 H ALA A 63 -4.622 4.767 -4.784 1.00 2.25 H new ATOM 0 HA ALA A 63 -2.555 6.486 -5.666 1.00 2.23 H new ATOM 0 HB1 ALA A 63 -4.013 6.822 -7.619 1.00 30.22 H new ATOM 0 HB2 ALA A 63 -3.870 5.102 -7.184 1.00 30.22 H new ATOM 0 HB3 ALA A 63 -5.343 6.007 -6.761 1.00 30.22 H new ATOM 1040 N ASN A 64 -5.210 7.838 -4.400 1.00 70.53 N ATOM 1041 CA ASN A 64 -5.787 9.039 -3.818 1.00 14.05 C ATOM 1042 C ASN A 64 -4.957 9.566 -2.652 1.00 4.32 C ATOM 1043 O ASN A 64 -4.910 10.772 -2.405 1.00 31.20 O ATOM 1044 CB ASN A 64 -7.214 8.732 -3.397 1.00 4.23 C ATOM 1045 CG ASN A 64 -7.762 9.570 -2.263 1.00 72.52 C ATOM 1046 OD1 ASN A 64 -8.285 10.655 -2.466 1.00 51.34 O ATOM 1047 ND2 ASN A 64 -7.686 9.038 -1.062 1.00 25.40 N ATOM 0 H ASN A 64 -5.749 6.994 -4.204 1.00 70.53 H new ATOM 0 HA ASN A 64 -5.789 9.833 -4.564 1.00 14.05 H new ATOM 0 HB2 ASN A 64 -7.863 8.858 -4.263 1.00 4.23 H new ATOM 0 HB3 ASN A 64 -7.269 7.683 -3.108 1.00 4.23 H new ATOM 0 HD21 ASN A 64 -8.072 9.534 -0.259 1.00 25.40 H new ATOM 0 HD22 ASN A 64 -7.241 8.129 -0.934 1.00 25.40 H new ATOM 1054 N LEU A 65 -4.296 8.682 -1.957 1.00 43.24 N ATOM 1055 CA LEU A 65 -3.499 9.072 -0.834 1.00 10.44 C ATOM 1056 C LEU A 65 -2.265 9.814 -1.341 1.00 12.05 C ATOM 1057 O LEU A 65 -1.947 10.926 -0.896 1.00 54.34 O ATOM 1058 CB LEU A 65 -3.037 7.845 -0.064 1.00 63.14 C ATOM 1059 CG LEU A 65 -2.885 8.003 1.456 1.00 63.20 C ATOM 1060 CD1 LEU A 65 -3.035 9.424 1.915 1.00 64.35 C ATOM 1061 CD2 LEU A 65 -3.906 7.201 2.135 1.00 51.23 C ATOM 0 H LEU A 65 -4.296 7.681 -2.153 1.00 43.24 H new ATOM 0 HA LEU A 65 -4.095 9.708 -0.179 1.00 10.44 H new ATOM 0 HB2 LEU A 65 -3.745 7.038 -0.253 1.00 63.14 H new ATOM 0 HB3 LEU A 65 -2.077 7.529 -0.471 1.00 63.14 H new ATOM 0 HG LEU A 65 -1.877 7.669 1.704 1.00 63.20 H new ATOM 0 HD11 LEU A 65 -2.917 9.471 2.998 1.00 64.35 H new ATOM 0 HD12 LEU A 65 -2.273 10.042 1.440 1.00 64.35 H new ATOM 0 HD13 LEU A 65 -4.024 9.792 1.641 1.00 64.35 H new ATOM 0 HD21 LEU A 65 -3.798 7.313 3.214 1.00 51.23 H new ATOM 0 HD22 LEU A 65 -4.896 7.541 1.832 1.00 51.23 H new ATOM 0 HD23 LEU A 65 -3.784 6.152 1.865 1.00 51.23 H new ATOM 1073 N PHE A 66 -1.614 9.208 -2.311 1.00 55.23 N ATOM 1074 CA PHE A 66 -0.379 9.720 -2.869 1.00 71.04 C ATOM 1075 C PHE A 66 -0.651 10.431 -4.190 1.00 34.14 C ATOM 1076 O PHE A 66 0.141 10.319 -5.130 1.00 11.31 O ATOM 1077 CB PHE A 66 0.590 8.556 -3.130 1.00 40.15 C ATOM 1078 CG PHE A 66 0.800 7.629 -1.959 1.00 43.32 C ATOM 1079 CD1 PHE A 66 1.113 8.125 -0.705 1.00 75.22 C ATOM 1080 CD2 PHE A 66 0.672 6.262 -2.118 1.00 70.13 C ATOM 1081 CE1 PHE A 66 1.298 7.278 0.363 1.00 65.45 C ATOM 1082 CE2 PHE A 66 0.859 5.408 -1.052 1.00 31.43 C ATOM 1083 CZ PHE A 66 1.172 5.918 0.188 1.00 40.15 C ATOM 0 H PHE A 66 -1.930 8.338 -2.739 1.00 55.23 H new ATOM 0 HA PHE A 66 0.058 10.423 -2.159 1.00 71.04 H new ATOM 0 HB2 PHE A 66 0.217 7.974 -3.973 1.00 40.15 H new ATOM 0 HB3 PHE A 66 1.555 8.966 -3.428 1.00 40.15 H new ATOM 0 HD1 PHE A 66 1.213 9.191 -0.563 1.00 75.22 H new ATOM 0 HD2 PHE A 66 0.423 5.858 -3.088 1.00 70.13 H new ATOM 0 HE1 PHE A 66 1.541 7.679 1.336 1.00 65.45 H new ATOM 0 HE2 PHE A 66 0.760 4.341 -1.189 1.00 31.43 H new ATOM 0 HZ PHE A 66 1.319 5.251 1.024 1.00 40.15 H new ATOM 1093 N ARG A 67 -1.750 11.180 -4.255 1.00 14.10 N ATOM 1094 CA ARG A 67 -2.120 11.891 -5.481 1.00 12.50 C ATOM 1095 C ARG A 67 -1.014 12.824 -5.955 1.00 43.25 C ATOM 1096 O ARG A 67 -0.644 13.791 -5.267 1.00 54.34 O ATOM 1097 CB ARG A 67 -3.445 12.659 -5.363 1.00 25.23 C ATOM 1098 CG ARG A 67 -4.655 11.797 -5.325 1.00 31.15 C ATOM 1099 CD ARG A 67 -5.928 12.611 -5.420 1.00 30.11 C ATOM 1100 NE ARG A 67 -7.097 11.747 -5.626 1.00 65.35 N ATOM 1101 CZ ARG A 67 -8.371 12.120 -5.513 1.00 51.12 C ATOM 1102 NH1 ARG A 67 -8.675 13.338 -5.081 1.00 35.44 N ATOM 1103 NH2 ARG A 67 -9.341 11.263 -5.836 1.00 4.24 N ATOM 0 H ARG A 67 -2.398 11.311 -3.478 1.00 14.10 H new ATOM 0 HA ARG A 67 -2.265 11.112 -6.229 1.00 12.50 H new ATOM 0 HB2 ARG A 67 -3.419 13.267 -4.459 1.00 25.23 H new ATOM 0 HB3 ARG A 67 -3.529 13.345 -6.206 1.00 25.23 H new ATOM 0 HG2 ARG A 67 -4.618 11.082 -6.147 1.00 31.15 H new ATOM 0 HG3 ARG A 67 -4.661 11.219 -4.401 1.00 31.15 H new ATOM 0 HD2 ARG A 67 -6.059 13.193 -4.508 1.00 30.11 H new ATOM 0 HD3 ARG A 67 -5.848 13.321 -6.243 1.00 30.11 H new ATOM 0 HE ARG A 67 -6.918 10.775 -5.878 1.00 65.35 H new ATOM 0 HH11 ARG A 67 -7.932 13.992 -4.834 1.00 35.44 H new ATOM 0 HH12 ARG A 67 -9.652 13.620 -4.996 1.00 35.44 H new ATOM 0 HH21 ARG A 67 -9.106 10.328 -6.167 1.00 4.24 H new ATOM 0 HH22 ARG A 67 -10.318 11.543 -5.751 1.00 4.24 H new ATOM 1117 N GLY A 68 -0.472 12.509 -7.101 1.00 32.02 N ATOM 1118 CA GLY A 68 0.587 13.288 -7.670 1.00 61.53 C ATOM 1119 C GLY A 68 1.886 12.536 -7.668 1.00 0.13 C ATOM 1120 O GLY A 68 2.699 12.686 -8.570 1.00 62.00 O ATOM 0 H GLY A 68 -0.754 11.706 -7.663 1.00 32.02 H new ATOM 0 HA2 GLY A 68 0.328 13.565 -8.692 1.00 61.53 H new ATOM 0 HA3 GLY A 68 0.701 14.215 -7.108 1.00 61.53 H new ATOM 1124 N GLN A 69 2.083 11.709 -6.666 1.00 64.15 N ATOM 1125 CA GLN A 69 3.279 10.934 -6.557 1.00 34.31 C ATOM 1126 C GLN A 69 3.153 9.659 -7.369 1.00 2.04 C ATOM 1127 O GLN A 69 2.930 8.575 -6.825 1.00 53.44 O ATOM 1128 CB GLN A 69 3.559 10.616 -5.102 1.00 42.03 C ATOM 1129 CG GLN A 69 3.710 11.844 -4.227 1.00 3.32 C ATOM 1130 CD GLN A 69 4.909 12.666 -4.573 1.00 55.03 C ATOM 1131 OE1 GLN A 69 6.012 12.435 -4.074 1.00 41.42 O ATOM 1132 NE2 GLN A 69 4.710 13.644 -5.371 1.00 72.25 N ATOM 0 H GLN A 69 1.415 11.561 -5.910 1.00 64.15 H new ATOM 0 HA GLN A 69 4.114 11.511 -6.953 1.00 34.31 H new ATOM 0 HB2 GLN A 69 2.749 10.000 -4.712 1.00 42.03 H new ATOM 0 HB3 GLN A 69 4.470 10.021 -5.038 1.00 42.03 H new ATOM 0 HG2 GLN A 69 2.816 12.460 -4.319 1.00 3.32 H new ATOM 0 HG3 GLN A 69 3.778 11.534 -3.184 1.00 3.32 H new ATOM 0 HE21 GLN A 69 3.782 13.802 -5.763 1.00 72.25 H new ATOM 0 HE22 GLN A 69 5.480 14.267 -5.616 1.00 72.25 H new ATOM 1141 N GLU A 70 3.281 9.802 -8.673 1.00 41.25 N ATOM 1142 CA GLU A 70 3.160 8.697 -9.614 1.00 23.25 C ATOM 1143 C GLU A 70 4.268 7.687 -9.392 1.00 51.14 C ATOM 1144 O GLU A 70 4.100 6.504 -9.659 1.00 40.15 O ATOM 1145 CB GLU A 70 3.168 9.213 -11.050 1.00 12.00 C ATOM 1146 CG GLU A 70 2.009 10.143 -11.363 1.00 3.10 C ATOM 1147 CD GLU A 70 2.031 10.647 -12.781 1.00 71.41 C ATOM 1148 OE1 GLU A 70 1.546 9.938 -13.687 1.00 43.41 O ATOM 1149 OE2 GLU A 70 2.508 11.773 -13.018 1.00 73.32 O ATOM 0 H GLU A 70 3.475 10.699 -9.119 1.00 41.25 H new ATOM 0 HA GLU A 70 2.207 8.196 -9.441 1.00 23.25 H new ATOM 0 HB2 GLU A 70 4.105 9.738 -11.234 1.00 12.00 H new ATOM 0 HB3 GLU A 70 3.138 8.364 -11.733 1.00 12.00 H new ATOM 0 HG2 GLU A 70 1.070 9.619 -11.183 1.00 3.10 H new ATOM 0 HG3 GLU A 70 2.036 10.992 -10.680 1.00 3.10 H new ATOM 1156 N ASP A 71 5.373 8.171 -8.859 1.00 44.12 N ATOM 1157 CA ASP A 71 6.523 7.345 -8.507 1.00 22.32 C ATOM 1158 C ASP A 71 6.117 6.260 -7.513 1.00 31.03 C ATOM 1159 O ASP A 71 6.410 5.076 -7.702 1.00 72.32 O ATOM 1160 CB ASP A 71 7.629 8.231 -7.921 1.00 62.32 C ATOM 1161 CG ASP A 71 8.876 7.471 -7.528 1.00 32.40 C ATOM 1162 OD1 ASP A 71 9.690 7.149 -8.421 1.00 20.12 O ATOM 1163 OD2 ASP A 71 9.088 7.223 -6.324 1.00 3.24 O ATOM 0 H ASP A 71 5.504 9.161 -8.654 1.00 44.12 H new ATOM 0 HA ASP A 71 6.900 6.854 -9.404 1.00 22.32 H new ATOM 0 HB2 ASP A 71 7.895 8.995 -8.652 1.00 62.32 H new ATOM 0 HB3 ASP A 71 7.240 8.750 -7.045 1.00 62.32 H new ATOM 1168 N LEU A 72 5.371 6.666 -6.505 1.00 14.11 N ATOM 1169 CA LEU A 72 4.892 5.753 -5.489 1.00 43.14 C ATOM 1170 C LEU A 72 3.826 4.843 -6.058 1.00 31.12 C ATOM 1171 O LEU A 72 3.806 3.659 -5.785 1.00 74.30 O ATOM 1172 CB LEU A 72 4.327 6.524 -4.294 1.00 20.12 C ATOM 1173 CG LEU A 72 5.328 7.349 -3.492 1.00 12.10 C ATOM 1174 CD1 LEU A 72 4.620 8.140 -2.417 1.00 53.42 C ATOM 1175 CD2 LEU A 72 6.361 6.447 -2.861 1.00 72.24 C ATOM 0 H LEU A 72 5.081 7.634 -6.368 1.00 14.11 H new ATOM 0 HA LEU A 72 5.734 5.149 -5.152 1.00 43.14 H new ATOM 0 HB2 LEU A 72 3.545 7.191 -4.655 1.00 20.12 H new ATOM 0 HB3 LEU A 72 3.852 5.811 -3.620 1.00 20.12 H new ATOM 0 HG LEU A 72 5.824 8.042 -4.172 1.00 12.10 H new ATOM 0 HD11 LEU A 72 5.349 8.723 -1.854 1.00 53.42 H new ATOM 0 HD12 LEU A 72 3.896 8.812 -2.877 1.00 53.42 H new ATOM 0 HD13 LEU A 72 4.104 7.457 -1.743 1.00 53.42 H new ATOM 0 HD21 LEU A 72 7.070 7.048 -2.291 1.00 72.24 H new ATOM 0 HD22 LEU A 72 5.868 5.739 -2.195 1.00 72.24 H new ATOM 0 HD23 LEU A 72 6.893 5.901 -3.641 1.00 72.24 H new ATOM 1187 N LEU A 73 2.998 5.395 -6.908 1.00 73.03 N ATOM 1188 CA LEU A 73 1.860 4.666 -7.458 1.00 34.54 C ATOM 1189 C LEU A 73 2.345 3.577 -8.411 1.00 63.32 C ATOM 1190 O LEU A 73 1.822 2.458 -8.419 1.00 11.20 O ATOM 1191 CB LEU A 73 0.908 5.645 -8.162 1.00 43.23 C ATOM 1192 CG LEU A 73 0.440 6.837 -7.303 1.00 52.11 C ATOM 1193 CD1 LEU A 73 -0.496 7.753 -8.050 1.00 25.03 C ATOM 1194 CD2 LEU A 73 -0.199 6.375 -6.014 1.00 34.42 C ATOM 0 H LEU A 73 3.084 6.355 -7.243 1.00 73.03 H new ATOM 0 HA LEU A 73 1.312 4.181 -6.650 1.00 34.54 H new ATOM 0 HB2 LEU A 73 1.403 6.032 -9.053 1.00 43.23 H new ATOM 0 HB3 LEU A 73 0.030 5.094 -8.500 1.00 43.23 H new ATOM 0 HG LEU A 73 1.337 7.408 -7.061 1.00 52.11 H new ATOM 0 HD11 LEU A 73 -0.796 8.575 -7.400 1.00 25.03 H new ATOM 0 HD12 LEU A 73 0.010 8.151 -8.930 1.00 25.03 H new ATOM 0 HD13 LEU A 73 -1.380 7.196 -8.361 1.00 25.03 H new ATOM 0 HD21 LEU A 73 -0.517 7.242 -5.434 1.00 34.42 H new ATOM 0 HD22 LEU A 73 -1.065 5.752 -6.240 1.00 34.42 H new ATOM 0 HD23 LEU A 73 0.523 5.797 -5.437 1.00 34.42 H new ATOM 1206 N SER A 74 3.372 3.899 -9.173 1.00 73.23 N ATOM 1207 CA SER A 74 3.965 2.972 -10.091 1.00 31.41 C ATOM 1208 C SER A 74 4.620 1.825 -9.310 1.00 13.44 C ATOM 1209 O SER A 74 4.399 0.646 -9.620 1.00 21.44 O ATOM 1210 CB SER A 74 4.990 3.701 -10.984 1.00 72.55 C ATOM 1211 OG SER A 74 5.518 2.856 -12.006 1.00 24.42 O ATOM 0 H SER A 74 3.814 4.818 -9.166 1.00 73.23 H new ATOM 0 HA SER A 74 3.196 2.550 -10.738 1.00 31.41 H new ATOM 0 HB2 SER A 74 4.516 4.569 -11.443 1.00 72.55 H new ATOM 0 HB3 SER A 74 5.807 4.073 -10.366 1.00 72.55 H new ATOM 0 HG SER A 74 6.161 3.360 -12.547 1.00 24.42 H new ATOM 1217 N GLU A 75 5.380 2.163 -8.268 1.00 20.11 N ATOM 1218 CA GLU A 75 6.034 1.143 -7.478 1.00 54.33 C ATOM 1219 C GLU A 75 5.067 0.329 -6.649 1.00 45.05 C ATOM 1220 O GLU A 75 5.286 -0.851 -6.457 1.00 44.35 O ATOM 1221 CB GLU A 75 7.184 1.679 -6.643 1.00 1.21 C ATOM 1222 CG GLU A 75 8.377 2.080 -7.478 1.00 31.05 C ATOM 1223 CD GLU A 75 9.588 2.396 -6.650 1.00 20.13 C ATOM 1224 OE1 GLU A 75 10.089 1.497 -5.959 1.00 40.43 O ATOM 1225 OE2 GLU A 75 10.110 3.521 -6.736 1.00 43.43 O ATOM 0 H GLU A 75 5.551 3.121 -7.962 1.00 20.11 H new ATOM 0 HA GLU A 75 6.474 0.460 -8.204 1.00 54.33 H new ATOM 0 HB2 GLU A 75 6.841 2.541 -6.071 1.00 1.21 H new ATOM 0 HB3 GLU A 75 7.489 0.920 -5.923 1.00 1.21 H new ATOM 0 HG2 GLU A 75 8.617 1.274 -8.171 1.00 31.05 H new ATOM 0 HG3 GLU A 75 8.117 2.951 -8.080 1.00 31.05 H new ATOM 1232 N PHE A 76 3.989 0.938 -6.189 1.00 54.01 N ATOM 1233 CA PHE A 76 2.968 0.211 -5.441 1.00 42.40 C ATOM 1234 C PHE A 76 2.407 -0.922 -6.301 1.00 42.11 C ATOM 1235 O PHE A 76 2.219 -2.037 -5.823 1.00 24.53 O ATOM 1236 CB PHE A 76 1.849 1.160 -4.976 1.00 63.41 C ATOM 1237 CG PHE A 76 0.783 0.490 -4.157 1.00 41.52 C ATOM 1238 CD1 PHE A 76 1.054 0.060 -2.868 1.00 13.23 C ATOM 1239 CD2 PHE A 76 -0.476 0.269 -4.683 1.00 54.01 C ATOM 1240 CE1 PHE A 76 0.089 -0.576 -2.114 1.00 43.40 C ATOM 1241 CE2 PHE A 76 -1.453 -0.374 -3.937 1.00 72.03 C ATOM 1242 CZ PHE A 76 -1.167 -0.796 -2.645 1.00 24.32 C ATOM 0 H PHE A 76 3.794 1.931 -6.317 1.00 54.01 H new ATOM 0 HA PHE A 76 3.423 -0.220 -4.549 1.00 42.40 H new ATOM 0 HB2 PHE A 76 2.290 1.966 -4.390 1.00 63.41 H new ATOM 0 HB3 PHE A 76 1.387 1.617 -5.851 1.00 63.41 H new ATOM 0 HD1 PHE A 76 2.035 0.225 -2.447 1.00 13.23 H new ATOM 0 HD2 PHE A 76 -0.702 0.601 -5.686 1.00 54.01 H new ATOM 0 HE1 PHE A 76 0.316 -0.901 -1.109 1.00 43.40 H new ATOM 0 HE2 PHE A 76 -2.432 -0.546 -4.359 1.00 72.03 H new ATOM 0 HZ PHE A 76 -1.924 -1.294 -2.058 1.00 24.32 H new