USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=12 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 27:sc= 0.166 USER MOD Single : A 13 TYR OH : rot 30:sc= -0.48! USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= 2.37 (180deg=2.36) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.178 USER MOD Single : A 24 HIS : no HE2:sc= 0.991 K(o=0.99,f=-3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 76:sc= 1.9 USER MOD Single : A 36 HIS : no HD1:sc= -0.0696 X(o=-0.07,f=-0.011) 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 :FLIP amide:sc= -0.681 F(o=-2!,f=-0.68) USER MOD Single : A 60 THR OG1 : rot 71:sc= 1.26 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.287 K(o=0.29,f=-8.1!) USER MOD Single : A 74 SER OG : rot 75:sc= 0.234 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.833 1.041 1.053 1.00 34.33 N ATOM 159 CA SER A 12 13.316 2.202 0.328 1.00 3.31 C ATOM 160 C SER A 12 12.148 2.965 -0.317 1.00 72.22 C ATOM 161 O SER A 12 12.167 4.201 -0.410 1.00 71.52 O ATOM 162 CB SER A 12 14.338 1.756 -0.704 1.00 60.22 C ATOM 163 OG SER A 12 15.387 1.023 -0.061 1.00 32.41 O ATOM 0 HA SER A 12 13.801 2.891 1.020 1.00 3.31 H new ATOM 0 HB2 SER A 12 13.858 1.135 -1.460 1.00 60.22 H new ATOM 0 HB3 SER A 12 14.751 2.623 -1.219 1.00 60.22 H new ATOM 0 HG SER A 12 15.042 0.607 0.757 1.00 32.41 H new ATOM 169 N TYR A 13 11.133 2.223 -0.717 1.00 50.31 N ATOM 170 CA TYR A 13 9.914 2.789 -1.243 1.00 3.21 C ATOM 171 C TYR A 13 9.106 3.451 -0.118 1.00 24.41 C ATOM 172 O TYR A 13 8.649 4.586 -0.249 1.00 12.05 O ATOM 173 CB TYR A 13 9.083 1.694 -1.948 1.00 40.30 C ATOM 174 CG TYR A 13 7.674 2.115 -2.272 1.00 41.14 C ATOM 175 CD1 TYR A 13 7.426 3.150 -3.153 1.00 62.13 C ATOM 176 CD2 TYR A 13 6.590 1.499 -1.658 1.00 42.31 C ATOM 177 CE1 TYR A 13 6.147 3.556 -3.418 1.00 0.32 C ATOM 178 CE2 TYR A 13 5.303 1.907 -1.918 1.00 20.33 C ATOM 179 CZ TYR A 13 5.090 2.938 -2.800 1.00 53.50 C ATOM 180 OH TYR A 13 3.814 3.365 -3.057 1.00 23.12 O ATOM 0 H TYR A 13 11.135 1.204 -0.684 1.00 50.31 H new ATOM 0 HA TYR A 13 10.165 3.555 -1.976 1.00 3.21 H new ATOM 0 HB2 TYR A 13 9.587 1.405 -2.870 1.00 40.30 H new ATOM 0 HB3 TYR A 13 9.051 0.809 -1.312 1.00 40.30 H new ATOM 0 HD1 TYR A 13 8.253 3.645 -3.639 1.00 62.13 H new ATOM 0 HD2 TYR A 13 6.761 0.688 -0.966 1.00 42.31 H new ATOM 0 HE1 TYR A 13 5.970 4.363 -4.114 1.00 0.32 H new ATOM 0 HE2 TYR A 13 4.468 1.422 -1.434 1.00 20.33 H new ATOM 0 HH TYR A 13 3.766 3.724 -3.968 1.00 23.12 H new ATOM 190 N VAL A 14 8.952 2.746 0.978 1.00 20.55 N ATOM 191 CA VAL A 14 8.214 3.241 2.121 1.00 51.24 C ATOM 192 C VAL A 14 8.905 4.461 2.747 1.00 1.34 C ATOM 193 O VAL A 14 8.254 5.439 3.074 1.00 11.43 O ATOM 194 CB VAL A 14 7.986 2.137 3.185 1.00 61.11 C ATOM 195 CG1 VAL A 14 7.325 2.721 4.405 1.00 13.25 C ATOM 196 CG2 VAL A 14 7.116 1.024 2.618 1.00 61.31 C ATOM 0 H VAL A 14 9.336 1.809 1.105 1.00 20.55 H new ATOM 0 HA VAL A 14 7.236 3.553 1.754 1.00 51.24 H new ATOM 0 HB VAL A 14 8.955 1.723 3.464 1.00 61.11 H new ATOM 0 HG11 VAL A 14 7.170 1.936 5.145 1.00 13.25 H new ATOM 0 HG12 VAL A 14 7.962 3.498 4.827 1.00 13.25 H new ATOM 0 HG13 VAL A 14 6.363 3.152 4.127 1.00 13.25 H new ATOM 0 HG21 VAL A 14 6.966 0.257 3.378 1.00 61.31 H new ATOM 0 HG22 VAL A 14 6.151 1.433 2.319 1.00 61.31 H new ATOM 0 HG23 VAL A 14 7.608 0.584 1.750 1.00 61.31 H new ATOM 206 N ASN A 15 10.221 4.398 2.888 1.00 22.44 N ATOM 207 CA ASN A 15 11.034 5.468 3.410 1.00 74.41 C ATOM 208 C ASN A 15 10.859 6.728 2.565 1.00 44.12 C ATOM 209 O ASN A 15 10.821 7.857 3.078 1.00 42.23 O ATOM 210 CB ASN A 15 12.461 4.998 3.334 1.00 3.21 C ATOM 211 CG ASN A 15 13.465 5.978 3.814 1.00 11.22 C ATOM 212 OD1 ASN A 15 13.214 6.785 4.697 1.00 53.14 O ATOM 213 ND2 ASN A 15 14.613 5.901 3.252 1.00 3.11 N ATOM 0 H ASN A 15 10.762 3.572 2.632 1.00 22.44 H new ATOM 0 HA ASN A 15 10.748 5.711 4.433 1.00 74.41 H new ATOM 0 HB2 ASN A 15 12.559 4.083 3.918 1.00 3.21 H new ATOM 0 HB3 ASN A 15 12.690 4.742 2.300 1.00 3.21 H new ATOM 0 HD21 ASN A 15 15.364 6.530 3.538 1.00 3.11 H new ATOM 0 HD22 ASN A 15 14.777 5.211 2.519 1.00 3.11 H new ATOM 220 N LYS A 16 10.739 6.506 1.280 1.00 45.21 N ATOM 221 CA LYS A 16 10.499 7.538 0.311 1.00 75.35 C ATOM 222 C LYS A 16 9.152 8.219 0.627 1.00 43.50 C ATOM 223 O LYS A 16 9.071 9.442 0.686 1.00 0.23 O ATOM 224 CB LYS A 16 10.503 6.878 -1.064 1.00 55.32 C ATOM 225 CG LYS A 16 10.382 7.774 -2.250 1.00 60.22 C ATOM 226 CD LYS A 16 10.486 6.932 -3.511 1.00 21.32 C ATOM 227 CE LYS A 16 10.296 7.767 -4.746 1.00 32.21 C ATOM 228 NZ LYS A 16 10.417 6.980 -5.987 1.00 24.24 N ATOM 0 H LYS A 16 10.808 5.574 0.871 1.00 45.21 H new ATOM 0 HA LYS A 16 11.266 8.312 0.335 1.00 75.35 H new ATOM 0 HB2 LYS A 16 11.428 6.309 -1.163 1.00 55.32 H new ATOM 0 HB3 LYS A 16 9.683 6.161 -1.097 1.00 55.32 H new ATOM 0 HG2 LYS A 16 9.430 8.304 -2.227 1.00 60.22 H new ATOM 0 HG3 LYS A 16 11.168 8.529 -2.234 1.00 60.22 H new ATOM 0 HD2 LYS A 16 11.461 6.445 -3.546 1.00 21.32 H new ATOM 0 HD3 LYS A 16 9.736 6.142 -3.485 1.00 21.32 H new ATOM 0 HE2 LYS A 16 9.314 8.239 -4.714 1.00 32.21 H new ATOM 0 HE3 LYS A 16 11.034 8.569 -4.755 1.00 32.21 H new ATOM 0 HZ1 LYS A 16 9.873 7.440 -6.744 1.00 24.24 H new ATOM 0 HZ2 LYS A 16 11.417 6.922 -6.265 1.00 24.24 H new ATOM 0 HZ3 LYS A 16 10.046 6.021 -5.828 1.00 24.24 H new ATOM 242 N ILE A 17 8.125 7.404 0.899 1.00 54.15 N ATOM 243 CA ILE A 17 6.809 7.885 1.290 1.00 43.24 C ATOM 244 C ILE A 17 6.904 8.660 2.609 1.00 2.25 C ATOM 245 O ILE A 17 6.381 9.772 2.719 1.00 2.54 O ATOM 246 CB ILE A 17 5.825 6.700 1.497 1.00 31.22 C ATOM 247 CG1 ILE A 17 5.644 5.888 0.213 1.00 44.21 C ATOM 248 CG2 ILE A 17 4.489 7.193 2.020 1.00 5.41 C ATOM 249 CD1 ILE A 17 4.749 4.677 0.387 1.00 42.23 C ATOM 0 H ILE A 17 8.192 6.387 0.851 1.00 54.15 H new ATOM 0 HA ILE A 17 6.442 8.531 0.493 1.00 43.24 H new ATOM 0 HB ILE A 17 6.261 6.037 2.245 1.00 31.22 H new ATOM 0 HG12 ILE A 17 5.224 6.533 -0.559 1.00 44.21 H new ATOM 0 HG13 ILE A 17 6.621 5.560 -0.142 1.00 44.21 H new ATOM 0 HG21 ILE A 17 3.817 6.346 2.157 1.00 5.41 H new ATOM 0 HG22 ILE A 17 4.636 7.698 2.975 1.00 5.41 H new ATOM 0 HG23 ILE A 17 4.053 7.890 1.304 1.00 5.41 H new ATOM 0 HD11 ILE A 17 4.664 4.148 -0.562 1.00 42.23 H new ATOM 0 HD12 ILE A 17 5.178 4.012 1.136 1.00 42.23 H new ATOM 0 HD13 ILE A 17 3.760 4.999 0.712 1.00 42.23 H new ATOM 261 N LYS A 18 7.605 8.056 3.589 1.00 53.43 N ATOM 262 CA LYS A 18 7.790 8.632 4.931 1.00 45.02 C ATOM 263 C LYS A 18 8.303 10.054 4.827 1.00 62.30 C ATOM 264 O LYS A 18 7.844 10.918 5.507 1.00 11.24 O ATOM 265 CB LYS A 18 8.828 7.837 5.760 1.00 22.22 C ATOM 266 CG LYS A 18 8.530 6.390 6.016 1.00 54.50 C ATOM 267 CD LYS A 18 9.636 5.772 6.854 1.00 35.34 C ATOM 268 CE LYS A 18 9.573 4.270 6.807 1.00 72.34 C ATOM 269 NZ LYS A 18 10.607 3.633 7.649 1.00 12.13 N ATOM 0 H LYS A 18 8.060 7.151 3.469 1.00 53.43 H new ATOM 0 HA LYS A 18 6.817 8.595 5.421 1.00 45.02 H new ATOM 0 HB2 LYS A 18 9.789 7.900 5.250 1.00 22.22 H new ATOM 0 HB3 LYS A 18 8.945 8.334 6.723 1.00 22.22 H new ATOM 0 HG2 LYS A 18 7.574 6.293 6.531 1.00 54.50 H new ATOM 0 HG3 LYS A 18 8.438 5.856 5.070 1.00 54.50 H new ATOM 0 HD2 LYS A 18 10.606 6.110 6.489 1.00 35.34 H new ATOM 0 HD3 LYS A 18 9.548 6.111 7.886 1.00 35.34 H new ATOM 0 HE2 LYS A 18 8.588 3.941 7.136 1.00 72.34 H new ATOM 0 HE3 LYS A 18 9.693 3.937 5.776 1.00 72.34 H new ATOM 0 HZ1 LYS A 18 10.521 2.599 7.582 1.00 12.13 H new ATOM 0 HZ2 LYS A 18 11.550 3.924 7.320 1.00 12.13 H new ATOM 0 HZ3 LYS A 18 10.479 3.927 8.638 1.00 12.13 H new ATOM 283 N THR A 19 9.263 10.241 3.948 1.00 11.41 N ATOM 284 CA THR A 19 9.929 11.483 3.693 1.00 73.24 C ATOM 285 C THR A 19 9.035 12.484 2.913 1.00 50.43 C ATOM 286 O THR A 19 8.985 13.683 3.230 1.00 14.22 O ATOM 287 CB THR A 19 11.180 11.119 2.876 1.00 52.42 C ATOM 288 OG1 THR A 19 12.184 10.505 3.689 1.00 52.30 O ATOM 289 CG2 THR A 19 11.716 12.251 2.039 1.00 65.32 C ATOM 0 H THR A 19 9.614 9.482 3.363 1.00 11.41 H new ATOM 0 HA THR A 19 10.178 11.985 4.628 1.00 73.24 H new ATOM 0 HB THR A 19 10.854 10.374 2.150 1.00 52.42 H new ATOM 0 HG1 THR A 19 12.024 9.539 3.732 1.00 52.30 H new ATOM 0 HG21 THR A 19 12.598 11.914 1.494 1.00 65.32 H new ATOM 0 HG22 THR A 19 10.952 12.573 1.331 1.00 65.32 H new ATOM 0 HG23 THR A 19 11.986 13.086 2.686 1.00 65.32 H new ATOM 297 N ARG A 20 8.354 11.993 1.913 1.00 23.10 N ATOM 298 CA ARG A 20 7.514 12.819 1.061 1.00 43.24 C ATOM 299 C ARG A 20 6.335 13.385 1.815 1.00 4.32 C ATOM 300 O ARG A 20 5.876 14.497 1.554 1.00 62.42 O ATOM 301 CB ARG A 20 7.085 12.001 -0.141 1.00 24.22 C ATOM 302 CG ARG A 20 8.201 11.841 -1.158 1.00 11.33 C ATOM 303 CD ARG A 20 8.350 13.091 -2.008 1.00 34.14 C ATOM 304 NE ARG A 20 9.477 12.999 -2.940 1.00 61.23 N ATOM 305 CZ ARG A 20 9.387 13.093 -4.277 1.00 54.42 C ATOM 306 NH1 ARG A 20 8.205 13.008 -4.888 1.00 20.21 N ATOM 307 NH2 ARG A 20 10.493 13.213 -5.003 1.00 41.44 N ATOM 0 H ARG A 20 8.360 11.005 1.658 1.00 23.10 H new ATOM 0 HA ARG A 20 8.086 13.681 0.717 1.00 43.24 H new ATOM 0 HB2 ARG A 20 6.756 11.017 0.191 1.00 24.22 H new ATOM 0 HB3 ARG A 20 6.229 12.480 -0.617 1.00 24.22 H new ATOM 0 HG2 ARG A 20 9.139 11.634 -0.643 1.00 11.33 H new ATOM 0 HG3 ARG A 20 7.993 10.984 -1.799 1.00 11.33 H new ATOM 0 HD2 ARG A 20 7.430 13.258 -2.569 1.00 34.14 H new ATOM 0 HD3 ARG A 20 8.488 13.955 -1.358 1.00 34.14 H new ATOM 0 HE ARG A 20 10.404 12.852 -2.542 1.00 61.23 H new ATOM 0 HH11 ARG A 20 7.356 12.870 -4.340 1.00 20.21 H new ATOM 0 HH12 ARG A 20 8.150 13.081 -5.904 1.00 20.21 H new ATOM 0 HH21 ARG A 20 11.404 13.233 -4.545 1.00 41.44 H new ATOM 0 HH22 ARG A 20 10.431 13.285 -6.019 1.00 41.44 H new ATOM 321 N PHE A 21 5.885 12.646 2.773 1.00 64.41 N ATOM 322 CA PHE A 21 4.779 13.045 3.581 1.00 11.30 C ATOM 323 C PHE A 21 5.238 13.106 5.019 1.00 3.34 C ATOM 324 O PHE A 21 4.476 12.871 5.946 1.00 1.31 O ATOM 325 CB PHE A 21 3.639 12.053 3.383 1.00 40.01 C ATOM 326 CG PHE A 21 3.193 11.966 1.944 1.00 74.13 C ATOM 327 CD1 PHE A 21 2.263 12.852 1.441 1.00 63.31 C ATOM 328 CD2 PHE A 21 3.711 10.999 1.096 1.00 2.02 C ATOM 329 CE1 PHE A 21 1.848 12.778 0.130 1.00 30.53 C ATOM 330 CE2 PHE A 21 3.306 10.920 -0.212 1.00 41.33 C ATOM 331 CZ PHE A 21 2.367 11.810 -0.697 1.00 52.11 C ATOM 0 H PHE A 21 6.278 11.738 3.021 1.00 64.41 H new ATOM 0 HA PHE A 21 4.412 14.032 3.298 1.00 11.30 H new ATOM 0 HB2 PHE A 21 3.957 11.067 3.722 1.00 40.01 H new ATOM 0 HB3 PHE A 21 2.794 12.347 4.005 1.00 40.01 H new ATOM 0 HD1 PHE A 21 1.854 13.616 2.086 1.00 63.31 H new ATOM 0 HD2 PHE A 21 4.443 10.299 1.470 1.00 2.02 H new ATOM 0 HE1 PHE A 21 1.117 13.478 -0.247 1.00 30.53 H new ATOM 0 HE2 PHE A 21 3.720 10.163 -0.862 1.00 41.33 H new ATOM 0 HZ PHE A 21 2.041 11.745 -1.725 1.00 52.11 H new ATOM 341 N LEU A 22 6.490 13.508 5.184 1.00 74.25 N ATOM 342 CA LEU A 22 7.143 13.588 6.481 1.00 40.15 C ATOM 343 C LEU A 22 6.469 14.655 7.320 1.00 34.04 C ATOM 344 O LEU A 22 6.333 14.539 8.534 1.00 51.11 O ATOM 345 CB LEU A 22 8.629 13.935 6.270 1.00 21.44 C ATOM 346 CG LEU A 22 9.664 13.054 6.934 1.00 42.44 C ATOM 347 CD1 LEU A 22 11.061 13.619 6.759 1.00 34.54 C ATOM 348 CD2 LEU A 22 9.339 12.865 8.358 1.00 60.44 C ATOM 0 H LEU A 22 7.089 13.792 4.409 1.00 74.25 H new ATOM 0 HA LEU A 22 7.066 12.633 7.000 1.00 40.15 H new ATOM 0 HB2 LEU A 22 8.824 13.930 5.198 1.00 21.44 H new ATOM 0 HB3 LEU A 22 8.786 14.956 6.618 1.00 21.44 H new ATOM 0 HG LEU A 22 9.645 12.079 6.447 1.00 42.44 H new ATOM 0 HD11 LEU A 22 11.782 12.964 7.247 1.00 34.54 H new ATOM 0 HD12 LEU A 22 11.295 13.689 5.697 1.00 34.54 H new ATOM 0 HD13 LEU A 22 11.111 14.611 7.207 1.00 34.54 H new ATOM 0 HD21 LEU A 22 10.093 12.229 8.822 1.00 60.44 H new ATOM 0 HD22 LEU A 22 9.323 13.833 8.859 1.00 60.44 H new ATOM 0 HD23 LEU A 22 8.361 12.393 8.448 1.00 60.44 H new ATOM 360 N ASP A 23 6.018 15.663 6.642 1.00 74.13 N ATOM 361 CA ASP A 23 5.336 16.783 7.250 1.00 72.12 C ATOM 362 C ASP A 23 3.907 16.422 7.672 1.00 3.22 C ATOM 363 O ASP A 23 3.316 17.069 8.532 1.00 13.23 O ATOM 364 CB ASP A 23 5.338 17.949 6.269 1.00 71.12 C ATOM 365 CG ASP A 23 4.514 19.114 6.720 1.00 23.31 C ATOM 366 OD1 ASP A 23 4.910 19.802 7.681 1.00 3.23 O ATOM 367 OD2 ASP A 23 3.447 19.360 6.113 1.00 22.01 O ATOM 0 H ASP A 23 6.111 15.741 5.629 1.00 74.13 H new ATOM 0 HA ASP A 23 5.865 17.066 8.160 1.00 72.12 H new ATOM 0 HB2 ASP A 23 6.365 18.280 6.113 1.00 71.12 H new ATOM 0 HB3 ASP A 23 4.965 17.602 5.305 1.00 71.12 H new ATOM 372 N HIS A 24 3.385 15.363 7.113 1.00 14.33 N ATOM 373 CA HIS A 24 2.007 14.972 7.367 1.00 74.00 C ATOM 374 C HIS A 24 1.864 13.474 7.589 1.00 73.23 C ATOM 375 O HIS A 24 1.506 12.720 6.672 1.00 31.32 O ATOM 376 CB HIS A 24 1.064 15.466 6.264 1.00 61.12 C ATOM 377 CG HIS A 24 0.414 16.791 6.537 1.00 61.43 C ATOM 378 ND1 HIS A 24 1.065 18.015 6.565 1.00 62.53 N ATOM 379 CD2 HIS A 24 -0.880 17.059 6.811 1.00 20.33 C ATOM 380 CE1 HIS A 24 0.167 18.953 6.849 1.00 13.34 C ATOM 381 NE2 HIS A 24 -1.035 18.427 7.009 1.00 22.33 N ATOM 0 H HIS A 24 3.889 14.747 6.474 1.00 14.33 H new ATOM 0 HA HIS A 24 1.712 15.461 8.295 1.00 74.00 H new ATOM 0 HB2 HIS A 24 1.624 15.537 5.332 1.00 61.12 H new ATOM 0 HB3 HIS A 24 0.284 14.720 6.111 1.00 61.12 H new ATOM 0 HD1 HIS A 24 2.059 18.169 6.397 1.00 62.53 H new ATOM 0 HD2 HIS A 24 -1.671 16.326 6.868 1.00 20.33 H new ATOM 0 HE1 HIS A 24 0.390 20.006 6.937 1.00 13.34 H new ATOM 389 N PRO A 25 2.158 13.016 8.818 1.00 22.22 N ATOM 390 CA PRO A 25 2.118 11.594 9.183 1.00 51.04 C ATOM 391 C PRO A 25 0.740 10.951 8.998 1.00 35.24 C ATOM 392 O PRO A 25 0.649 9.751 8.760 1.00 21.32 O ATOM 393 CB PRO A 25 2.517 11.588 10.659 1.00 71.40 C ATOM 394 CG PRO A 25 3.254 12.856 10.855 1.00 33.33 C ATOM 395 CD PRO A 25 2.595 13.849 9.958 1.00 10.11 C ATOM 0 HA PRO A 25 2.776 11.008 8.541 1.00 51.04 H new ATOM 0 HB2 PRO A 25 1.641 11.535 11.306 1.00 71.40 H new ATOM 0 HB3 PRO A 25 3.141 10.727 10.897 1.00 71.40 H new ATOM 0 HG2 PRO A 25 3.209 13.178 11.895 1.00 33.33 H new ATOM 0 HG3 PRO A 25 4.308 12.739 10.603 1.00 33.33 H new ATOM 0 HD2 PRO A 25 1.754 14.340 10.447 1.00 10.11 H new ATOM 0 HD3 PRO A 25 3.285 14.633 9.646 1.00 10.11 H new ATOM 403 N GLU A 26 -0.326 11.751 9.075 1.00 33.33 N ATOM 404 CA GLU A 26 -1.688 11.257 8.908 1.00 34.04 C ATOM 405 C GLU A 26 -1.904 10.673 7.502 1.00 33.42 C ATOM 406 O GLU A 26 -2.728 9.814 7.317 1.00 62.52 O ATOM 407 CB GLU A 26 -2.679 12.367 9.172 1.00 24.43 C ATOM 408 CG GLU A 26 -2.640 13.478 8.158 1.00 64.41 C ATOM 409 CD GLU A 26 -3.540 14.608 8.532 1.00 40.40 C ATOM 410 OE1 GLU A 26 -3.203 15.349 9.465 1.00 31.33 O ATOM 411 OE2 GLU A 26 -4.610 14.762 7.922 1.00 45.23 O ATOM 0 H GLU A 26 -0.267 12.753 9.254 1.00 33.33 H new ATOM 0 HA GLU A 26 -1.847 10.456 9.630 1.00 34.04 H new ATOM 0 HB2 GLU A 26 -3.684 11.945 9.195 1.00 24.43 H new ATOM 0 HB3 GLU A 26 -2.486 12.784 10.160 1.00 24.43 H new ATOM 0 HG2 GLU A 26 -1.618 13.845 8.061 1.00 64.41 H new ATOM 0 HG3 GLU A 26 -2.932 13.089 7.183 1.00 64.41 H new ATOM 418 N ILE A 27 -1.140 11.148 6.538 1.00 72.34 N ATOM 419 CA ILE A 27 -1.212 10.667 5.165 1.00 44.11 C ATOM 420 C ILE A 27 -0.659 9.254 5.093 1.00 11.13 C ATOM 421 O ILE A 27 -1.281 8.356 4.518 1.00 65.25 O ATOM 422 CB ILE A 27 -0.427 11.630 4.253 1.00 34.24 C ATOM 423 CG1 ILE A 27 -1.119 13.001 4.318 1.00 41.30 C ATOM 424 CG2 ILE A 27 -0.315 11.109 2.820 1.00 72.15 C ATOM 425 CD1 ILE A 27 -0.526 14.051 3.431 1.00 23.53 C ATOM 0 H ILE A 27 -0.447 11.882 6.682 1.00 72.34 H new ATOM 0 HA ILE A 27 -2.247 10.639 4.825 1.00 44.11 H new ATOM 0 HB ILE A 27 0.601 11.715 4.605 1.00 34.24 H new ATOM 0 HG12 ILE A 27 -2.169 12.874 4.054 1.00 41.30 H new ATOM 0 HG13 ILE A 27 -1.090 13.358 5.348 1.00 41.30 H new ATOM 0 HG21 ILE A 27 0.246 11.822 2.216 1.00 72.15 H new ATOM 0 HG22 ILE A 27 0.201 10.149 2.821 1.00 72.15 H new ATOM 0 HG23 ILE A 27 -1.313 10.984 2.399 1.00 72.15 H new ATOM 0 HD11 ILE A 27 -1.082 14.981 3.547 1.00 23.53 H new ATOM 0 HD12 ILE A 27 0.516 14.214 3.706 1.00 23.53 H new ATOM 0 HD13 ILE A 27 -0.580 13.723 2.393 1.00 23.53 H new ATOM 437 N TYR A 28 0.474 9.063 5.743 1.00 4.41 N ATOM 438 CA TYR A 28 1.116 7.760 5.865 1.00 53.24 C ATOM 439 C TYR A 28 0.135 6.835 6.591 1.00 10.53 C ATOM 440 O TYR A 28 -0.182 5.746 6.144 1.00 64.02 O ATOM 441 CB TYR A 28 2.370 7.936 6.736 1.00 44.41 C ATOM 442 CG TYR A 28 3.308 6.751 6.792 1.00 23.43 C ATOM 443 CD1 TYR A 28 4.306 6.576 5.842 1.00 61.32 C ATOM 444 CD2 TYR A 28 3.198 5.814 7.801 1.00 72.53 C ATOM 445 CE1 TYR A 28 5.159 5.496 5.904 1.00 23.51 C ATOM 446 CE2 TYR A 28 4.046 4.736 7.873 1.00 12.41 C ATOM 447 CZ TYR A 28 5.020 4.576 6.933 1.00 63.24 C ATOM 448 OH TYR A 28 5.867 3.488 7.021 1.00 54.11 O ATOM 0 H TYR A 28 0.983 9.815 6.208 1.00 4.41 H new ATOM 0 HA TYR A 28 1.385 7.349 4.892 1.00 53.24 H new ATOM 0 HB2 TYR A 28 2.926 8.798 6.368 1.00 44.41 H new ATOM 0 HB3 TYR A 28 2.053 8.172 7.752 1.00 44.41 H new ATOM 0 HD1 TYR A 28 4.415 7.296 5.044 1.00 61.32 H new ATOM 0 HD2 TYR A 28 2.428 5.932 8.550 1.00 72.53 H new ATOM 0 HE1 TYR A 28 5.929 5.367 5.158 1.00 23.51 H new ATOM 0 HE2 TYR A 28 3.941 4.017 8.672 1.00 12.41 H new ATOM 0 HH TYR A 28 5.627 2.949 7.803 1.00 54.11 H new ATOM 458 N ARG A 29 -0.359 7.359 7.687 1.00 32.25 N ATOM 459 CA ARG A 29 -1.295 6.742 8.589 1.00 3.52 C ATOM 460 C ARG A 29 -2.581 6.256 7.894 1.00 11.21 C ATOM 461 O ARG A 29 -2.961 5.101 8.021 1.00 61.44 O ATOM 462 CB ARG A 29 -1.686 7.788 9.542 1.00 0.24 C ATOM 463 CG ARG A 29 -2.464 7.281 10.658 1.00 4.11 C ATOM 464 CD ARG A 29 -3.301 8.355 11.198 1.00 30.41 C ATOM 465 NE ARG A 29 -4.329 8.786 10.217 1.00 12.42 N ATOM 466 CZ ARG A 29 -5.524 9.315 10.514 1.00 44.11 C ATOM 467 NH1 ARG A 29 -5.865 9.552 11.773 1.00 34.54 N ATOM 468 NH2 ARG A 29 -6.366 9.603 9.542 1.00 12.40 N ATOM 0 H ARG A 29 -0.096 8.296 7.992 1.00 32.25 H new ATOM 0 HA ARG A 29 -0.820 5.871 9.041 1.00 3.52 H new ATOM 0 HB2 ARG A 29 -0.790 8.276 9.924 1.00 0.24 H new ATOM 0 HB3 ARG A 29 -2.265 8.549 9.019 1.00 0.24 H new ATOM 0 HG2 ARG A 29 -3.088 6.449 10.332 1.00 4.11 H new ATOM 0 HG3 ARG A 29 -1.801 6.898 11.433 1.00 4.11 H new ATOM 0 HD2 ARG A 29 -3.788 8.014 12.112 1.00 30.41 H new ATOM 0 HD3 ARG A 29 -2.675 9.205 11.468 1.00 30.41 H new ATOM 0 HE ARG A 29 -4.106 8.669 9.229 1.00 12.42 H new ATOM 0 HH11 ARG A 29 -5.215 9.331 12.528 1.00 34.54 H new ATOM 0 HH12 ARG A 29 -6.777 9.955 11.987 1.00 34.54 H new ATOM 0 HH21 ARG A 29 -6.106 9.423 8.572 1.00 12.40 H new ATOM 0 HH22 ARG A 29 -7.277 10.006 9.759 1.00 12.40 H new ATOM 482 N SER A 30 -3.261 7.157 7.195 1.00 51.03 N ATOM 483 CA SER A 30 -4.505 6.836 6.516 1.00 52.34 C ATOM 484 C SER A 30 -4.274 5.818 5.411 1.00 51.11 C ATOM 485 O SER A 30 -5.160 5.070 5.038 1.00 33.14 O ATOM 486 CB SER A 30 -5.162 8.099 5.994 1.00 44.01 C ATOM 487 OG SER A 30 -5.395 9.013 7.063 1.00 31.14 O ATOM 0 H SER A 30 -2.965 8.127 7.085 1.00 51.03 H new ATOM 0 HA SER A 30 -5.187 6.380 7.233 1.00 52.34 H new ATOM 0 HB2 SER A 30 -4.525 8.564 5.241 1.00 44.01 H new ATOM 0 HB3 SER A 30 -6.105 7.852 5.506 1.00 44.01 H new ATOM 0 HG SER A 30 -4.551 9.442 7.316 1.00 31.14 H new ATOM 493 N PHE A 31 -3.099 5.829 4.857 1.00 41.21 N ATOM 494 CA PHE A 31 -2.732 4.821 3.915 1.00 42.23 C ATOM 495 C PHE A 31 -2.486 3.480 4.623 1.00 74.52 C ATOM 496 O PHE A 31 -2.846 2.414 4.105 1.00 45.25 O ATOM 497 CB PHE A 31 -1.535 5.266 3.094 1.00 14.13 C ATOM 498 CG PHE A 31 -0.795 4.125 2.499 1.00 1.12 C ATOM 499 CD1 PHE A 31 -1.283 3.485 1.387 1.00 74.11 C ATOM 500 CD2 PHE A 31 0.367 3.663 3.092 1.00 64.51 C ATOM 501 CE1 PHE A 31 -0.632 2.405 0.861 1.00 33.10 C ATOM 502 CE2 PHE A 31 1.033 2.576 2.577 1.00 14.51 C ATOM 503 CZ PHE A 31 0.533 1.942 1.455 1.00 40.32 C ATOM 0 H PHE A 31 -2.379 6.527 5.043 1.00 41.21 H new ATOM 0 HA PHE A 31 -3.559 4.670 3.221 1.00 42.23 H new ATOM 0 HB2 PHE A 31 -1.872 5.930 2.298 1.00 14.13 H new ATOM 0 HB3 PHE A 31 -0.860 5.842 3.726 1.00 14.13 H new ATOM 0 HD1 PHE A 31 -2.192 3.839 0.923 1.00 74.11 H new ATOM 0 HD2 PHE A 31 0.755 4.161 3.968 1.00 64.51 H new ATOM 0 HE1 PHE A 31 -1.024 1.912 -0.016 1.00 33.10 H new ATOM 0 HE2 PHE A 31 1.939 2.221 3.045 1.00 14.51 H new ATOM 0 HZ PHE A 31 1.048 1.088 1.042 1.00 40.32 H new ATOM 513 N LEU A 32 -1.882 3.537 5.797 1.00 63.05 N ATOM 514 CA LEU A 32 -1.631 2.365 6.604 1.00 11.42 C ATOM 515 C LEU A 32 -2.907 1.621 6.894 1.00 74.45 C ATOM 516 O LEU A 32 -2.924 0.407 6.868 1.00 5.54 O ATOM 517 CB LEU A 32 -0.961 2.750 7.912 1.00 32.22 C ATOM 518 CG LEU A 32 0.465 3.245 7.838 1.00 43.35 C ATOM 519 CD1 LEU A 32 0.937 3.570 9.228 1.00 35.11 C ATOM 520 CD2 LEU A 32 1.378 2.216 7.172 1.00 70.05 C ATOM 0 H LEU A 32 -1.551 4.406 6.216 1.00 63.05 H new ATOM 0 HA LEU A 32 -0.967 1.712 6.037 1.00 11.42 H new ATOM 0 HB2 LEU A 32 -1.564 3.525 8.385 1.00 32.22 H new ATOM 0 HB3 LEU A 32 -0.984 1.882 8.571 1.00 32.22 H new ATOM 0 HG LEU A 32 0.502 4.144 7.222 1.00 43.35 H new ATOM 0 HD11 LEU A 32 1.966 3.929 9.188 1.00 35.11 H new ATOM 0 HD12 LEU A 32 0.299 4.343 9.657 1.00 35.11 H new ATOM 0 HD13 LEU A 32 0.889 2.674 9.847 1.00 35.11 H new ATOM 0 HD21 LEU A 32 2.396 2.603 7.135 1.00 70.05 H new ATOM 0 HD22 LEU A 32 1.363 1.290 7.747 1.00 70.05 H new ATOM 0 HD23 LEU A 32 1.027 2.020 6.159 1.00 70.05 H new ATOM 532 N GLU A 33 -3.981 2.353 7.119 1.00 31.10 N ATOM 533 CA GLU A 33 -5.259 1.746 7.432 1.00 21.35 C ATOM 534 C GLU A 33 -5.766 0.915 6.234 1.00 45.42 C ATOM 535 O GLU A 33 -6.367 -0.155 6.402 1.00 62.01 O ATOM 536 CB GLU A 33 -6.269 2.819 7.865 1.00 33.30 C ATOM 537 CG GLU A 33 -7.036 3.521 6.754 1.00 2.43 C ATOM 538 CD GLU A 33 -8.004 4.529 7.302 1.00 33.52 C ATOM 539 OE1 GLU A 33 -8.994 4.113 7.951 1.00 55.34 O ATOM 540 OE2 GLU A 33 -7.812 5.740 7.106 1.00 74.23 O ATOM 0 H GLU A 33 -3.993 3.373 7.091 1.00 31.10 H new ATOM 0 HA GLU A 33 -5.136 1.062 8.271 1.00 21.35 H new ATOM 0 HB2 GLU A 33 -6.991 2.356 8.537 1.00 33.30 H new ATOM 0 HB3 GLU A 33 -5.736 3.575 8.442 1.00 33.30 H new ATOM 0 HG2 GLU A 33 -6.334 4.017 6.084 1.00 2.43 H new ATOM 0 HG3 GLU A 33 -7.576 2.783 6.161 1.00 2.43 H new ATOM 547 N ILE A 34 -5.452 1.390 5.037 1.00 53.23 N ATOM 548 CA ILE A 34 -5.786 0.735 3.814 1.00 1.12 C ATOM 549 C ILE A 34 -5.005 -0.555 3.730 1.00 64.41 C ATOM 550 O ILE A 34 -5.553 -1.604 3.458 1.00 73.12 O ATOM 551 CB ILE A 34 -5.403 1.656 2.631 1.00 41.15 C ATOM 552 CG1 ILE A 34 -6.219 2.947 2.711 1.00 0.04 C ATOM 553 CG2 ILE A 34 -5.568 0.960 1.287 1.00 12.40 C ATOM 554 CD1 ILE A 34 -5.836 3.989 1.701 1.00 2.23 C ATOM 0 H ILE A 34 -4.945 2.265 4.904 1.00 53.23 H new ATOM 0 HA ILE A 34 -6.854 0.521 3.775 1.00 1.12 H new ATOM 0 HB ILE A 34 -4.344 1.904 2.709 1.00 41.15 H new ATOM 0 HG12 ILE A 34 -7.274 2.704 2.581 1.00 0.04 H new ATOM 0 HG13 ILE A 34 -6.110 3.370 3.710 1.00 0.04 H new ATOM 0 HG21 ILE A 34 -5.288 1.644 0.486 1.00 12.40 H new ATOM 0 HG22 ILE A 34 -4.927 0.079 1.252 1.00 12.40 H new ATOM 0 HG23 ILE A 34 -6.607 0.658 1.159 1.00 12.40 H new ATOM 0 HD11 ILE A 34 -6.465 4.870 1.830 1.00 2.23 H new ATOM 0 HD12 ILE A 34 -4.791 4.266 1.842 1.00 2.23 H new ATOM 0 HD13 ILE A 34 -5.973 3.590 0.696 1.00 2.23 H new ATOM 566 N LEU A 35 -3.733 -0.463 4.029 1.00 4.20 N ATOM 567 CA LEU A 35 -2.831 -1.571 3.962 1.00 55.04 C ATOM 568 C LEU A 35 -3.197 -2.618 5.037 1.00 31.15 C ATOM 569 O LEU A 35 -3.180 -3.821 4.775 1.00 11.42 O ATOM 570 CB LEU A 35 -1.418 -1.021 4.152 1.00 31.15 C ATOM 571 CG LEU A 35 -0.240 -1.820 3.579 1.00 21.31 C ATOM 572 CD1 LEU A 35 -0.033 -3.138 4.298 1.00 12.24 C ATOM 573 CD2 LEU A 35 -0.419 -2.051 2.081 1.00 14.31 C ATOM 0 H LEU A 35 -3.293 0.406 4.332 1.00 4.20 H new ATOM 0 HA LEU A 35 -2.894 -2.078 2.999 1.00 55.04 H new ATOM 0 HB2 LEU A 35 -1.388 -0.024 3.712 1.00 31.15 H new ATOM 0 HB3 LEU A 35 -1.249 -0.902 5.222 1.00 31.15 H new ATOM 0 HG LEU A 35 0.656 -1.221 3.739 1.00 21.31 H new ATOM 0 HD11 LEU A 35 0.812 -3.665 3.855 1.00 12.24 H new ATOM 0 HD12 LEU A 35 0.169 -2.949 5.352 1.00 12.24 H new ATOM 0 HD13 LEU A 35 -0.931 -3.749 4.204 1.00 12.24 H new ATOM 0 HD21 LEU A 35 0.428 -2.619 1.697 1.00 14.31 H new ATOM 0 HD22 LEU A 35 -1.339 -2.608 1.906 1.00 14.31 H new ATOM 0 HD23 LEU A 35 -0.474 -1.090 1.569 1.00 14.31 H new ATOM 585 N HIS A 36 -3.545 -2.150 6.225 1.00 20.41 N ATOM 586 CA HIS A 36 -3.942 -3.033 7.322 1.00 3.32 C ATOM 587 C HIS A 36 -5.233 -3.774 6.991 1.00 60.10 C ATOM 588 O HIS A 36 -5.328 -4.985 7.198 1.00 71.23 O ATOM 589 CB HIS A 36 -4.094 -2.271 8.657 1.00 4.50 C ATOM 590 CG HIS A 36 -2.814 -1.710 9.229 1.00 33.54 C ATOM 591 ND1 HIS A 36 -2.711 -0.457 9.807 1.00 45.34 N ATOM 592 CD2 HIS A 36 -1.581 -2.271 9.343 1.00 70.15 C ATOM 593 CE1 HIS A 36 -1.464 -0.298 10.239 1.00 13.31 C ATOM 594 NE2 HIS A 36 -0.725 -1.373 9.986 1.00 24.10 N ATOM 0 H HIS A 36 -3.562 -1.158 6.460 1.00 20.41 H new ATOM 0 HA HIS A 36 -3.140 -3.761 7.444 1.00 3.32 H new ATOM 0 HB2 HIS A 36 -4.797 -1.451 8.510 1.00 4.50 H new ATOM 0 HB3 HIS A 36 -4.537 -2.943 9.392 1.00 4.50 H new ATOM 0 HD2 HIS A 36 -1.307 -3.255 8.992 1.00 70.15 H new ATOM 0 HE1 HIS A 36 -1.098 0.591 10.732 1.00 13.31 H new ATOM 0 HE2 HIS A 36 0.259 -1.513 10.213 1.00 24.10 H new ATOM 602 N THR A 37 -6.213 -3.060 6.443 1.00 2.41 N ATOM 603 CA THR A 37 -7.483 -3.671 6.094 1.00 53.05 C ATOM 604 C THR A 37 -7.272 -4.631 4.905 1.00 44.14 C ATOM 605 O THR A 37 -7.909 -5.682 4.805 1.00 64.23 O ATOM 606 CB THR A 37 -8.574 -2.572 5.767 1.00 0.11 C ATOM 607 OG1 THR A 37 -9.877 -3.025 6.161 1.00 70.52 O ATOM 608 CG2 THR A 37 -8.618 -2.190 4.268 1.00 74.33 C ATOM 0 H THR A 37 -6.149 -2.064 6.234 1.00 2.41 H new ATOM 0 HA THR A 37 -7.855 -4.241 6.946 1.00 53.05 H new ATOM 0 HB THR A 37 -8.287 -1.686 6.333 1.00 0.11 H new ATOM 0 HG1 THR A 37 -10.540 -2.334 5.954 1.00 70.52 H new ATOM 0 HG21 THR A 37 -9.386 -1.433 4.108 1.00 74.33 H new ATOM 0 HG22 THR A 37 -7.649 -1.794 3.965 1.00 74.33 H new ATOM 0 HG23 THR A 37 -8.851 -3.074 3.674 1.00 74.33 H new ATOM 616 N TYR A 38 -6.308 -4.279 4.061 1.00 35.33 N ATOM 617 CA TYR A 38 -5.972 -5.016 2.870 1.00 43.24 C ATOM 618 C TYR A 38 -5.515 -6.422 3.211 1.00 23.32 C ATOM 619 O TYR A 38 -5.866 -7.380 2.525 1.00 32.42 O ATOM 620 CB TYR A 38 -4.879 -4.268 2.103 1.00 43.42 C ATOM 621 CG TYR A 38 -4.486 -4.913 0.835 1.00 0.31 C ATOM 622 CD1 TYR A 38 -5.243 -4.715 -0.278 1.00 10.50 C ATOM 623 CD2 TYR A 38 -3.372 -5.738 0.756 1.00 24.13 C ATOM 624 CE1 TYR A 38 -4.911 -5.320 -1.481 1.00 74.44 C ATOM 625 CE2 TYR A 38 -3.032 -6.358 -0.424 1.00 62.02 C ATOM 626 CZ TYR A 38 -3.802 -6.145 -1.544 1.00 33.33 C ATOM 627 OH TYR A 38 -3.475 -6.789 -2.722 1.00 11.12 O ATOM 0 H TYR A 38 -5.730 -3.450 4.199 1.00 35.33 H new ATOM 0 HA TYR A 38 -6.861 -5.100 2.244 1.00 43.24 H new ATOM 0 HB2 TYR A 38 -5.225 -3.256 1.892 1.00 43.42 H new ATOM 0 HB3 TYR A 38 -3.999 -4.177 2.740 1.00 43.42 H new ATOM 0 HD1 TYR A 38 -6.114 -4.078 -0.224 1.00 10.50 H new ATOM 0 HD2 TYR A 38 -2.763 -5.895 1.634 1.00 24.13 H new ATOM 0 HE1 TYR A 38 -5.513 -5.149 -2.361 1.00 74.44 H new ATOM 0 HE2 TYR A 38 -2.169 -7.006 -0.471 1.00 62.02 H new ATOM 0 HH TYR A 38 -2.667 -7.327 -2.587 1.00 11.12 H new ATOM 637 N GLN A 39 -4.769 -6.533 4.299 1.00 42.11 N ATOM 638 CA GLN A 39 -4.235 -7.805 4.764 1.00 44.24 C ATOM 639 C GLN A 39 -5.338 -8.831 4.999 1.00 53.21 C ATOM 640 O GLN A 39 -5.149 -10.021 4.753 1.00 32.03 O ATOM 641 CB GLN A 39 -3.423 -7.606 6.036 1.00 40.20 C ATOM 642 CG GLN A 39 -2.204 -6.727 5.843 1.00 5.15 C ATOM 643 CD GLN A 39 -1.223 -7.300 4.839 1.00 43.42 C ATOM 644 OE1 GLN A 39 -0.535 -6.446 4.143 1.00 10.25 O flip ATOM 645 NE2 GLN A 39 -1.103 -8.511 4.687 1.00 72.32 N flip ATOM 0 H GLN A 39 -4.515 -5.740 4.888 1.00 42.11 H new ATOM 0 HA GLN A 39 -3.584 -8.193 3.980 1.00 44.24 H new ATOM 0 HB2 GLN A 39 -4.062 -7.164 6.800 1.00 40.20 H new ATOM 0 HB3 GLN A 39 -3.104 -8.579 6.410 1.00 40.20 H new ATOM 0 HG2 GLN A 39 -2.522 -5.739 5.511 1.00 5.15 H new ATOM 0 HG3 GLN A 39 -1.701 -6.594 6.801 1.00 5.15 H new ATOM 0 HE21 GLN A 39 -1.659 -9.153 5.251 1.00 72.32 H new ATOM 0 HE22 GLN A 39 -0.447 -8.876 3.997 1.00 72.32 H new ATOM 904 N GLU A 55 -8.433 -5.366 -4.715 1.00 53.03 N ATOM 905 CA GLU A 55 -7.174 -4.760 -5.062 1.00 13.30 C ATOM 906 C GLU A 55 -7.308 -3.474 -5.911 1.00 13.33 C ATOM 907 O GLU A 55 -6.593 -2.498 -5.684 1.00 61.23 O ATOM 908 CB GLU A 55 -6.316 -5.793 -5.738 1.00 32.24 C ATOM 909 CG GLU A 55 -4.898 -5.385 -5.860 1.00 20.34 C ATOM 910 CD GLU A 55 -4.055 -6.461 -6.461 1.00 33.02 C ATOM 911 OE1 GLU A 55 -3.706 -7.419 -5.752 1.00 64.12 O ATOM 912 OE2 GLU A 55 -3.770 -6.389 -7.667 1.00 54.33 O ATOM 0 HA GLU A 55 -6.699 -4.423 -4.140 1.00 13.30 H new ATOM 0 HB2 GLU A 55 -6.372 -6.726 -5.177 1.00 32.24 H new ATOM 0 HB3 GLU A 55 -6.716 -5.994 -6.732 1.00 32.24 H new ATOM 0 HG2 GLU A 55 -4.831 -4.487 -6.474 1.00 20.34 H new ATOM 0 HG3 GLU A 55 -4.509 -5.128 -4.875 1.00 20.34 H new ATOM 919 N GLU A 56 -8.239 -3.469 -6.838 1.00 22.34 N ATOM 920 CA GLU A 56 -8.503 -2.301 -7.666 1.00 42.04 C ATOM 921 C GLU A 56 -8.983 -1.108 -6.808 1.00 1.25 C ATOM 922 O GLU A 56 -8.445 0.005 -6.902 1.00 73.23 O ATOM 923 CB GLU A 56 -9.552 -2.635 -8.714 1.00 53.33 C ATOM 924 CG GLU A 56 -9.900 -1.477 -9.616 1.00 41.14 C ATOM 925 CD GLU A 56 -10.993 -1.813 -10.573 1.00 54.22 C ATOM 926 OE1 GLU A 56 -10.706 -2.352 -11.653 1.00 24.04 O ATOM 927 OE2 GLU A 56 -12.169 -1.541 -10.265 1.00 42.33 O ATOM 0 H GLU A 56 -8.837 -4.270 -7.043 1.00 22.34 H new ATOM 0 HA GLU A 56 -7.573 -2.017 -8.159 1.00 42.04 H new ATOM 0 HB2 GLU A 56 -9.192 -3.464 -9.324 1.00 53.33 H new ATOM 0 HB3 GLU A 56 -10.457 -2.978 -8.213 1.00 53.33 H new ATOM 0 HG2 GLU A 56 -10.202 -0.624 -9.008 1.00 41.14 H new ATOM 0 HG3 GLU A 56 -9.013 -1.174 -10.173 1.00 41.14 H new ATOM 934 N GLU A 57 -9.956 -1.353 -5.941 1.00 30.22 N ATOM 935 CA GLU A 57 -10.513 -0.303 -5.108 1.00 22.34 C ATOM 936 C GLU A 57 -9.515 0.049 -4.000 1.00 44.33 C ATOM 937 O GLU A 57 -9.519 1.165 -3.469 1.00 73.44 O ATOM 938 CB GLU A 57 -11.880 -0.709 -4.552 1.00 41.10 C ATOM 939 CG GLU A 57 -11.818 -1.470 -3.283 1.00 30.30 C ATOM 940 CD GLU A 57 -13.148 -2.038 -2.864 1.00 54.04 C ATOM 941 OE1 GLU A 57 -13.972 -1.311 -2.270 1.00 52.34 O ATOM 942 OE2 GLU A 57 -13.386 -3.228 -3.103 1.00 42.41 O ATOM 0 H GLU A 57 -10.375 -2.272 -5.798 1.00 30.22 H new ATOM 0 HA GLU A 57 -10.680 0.590 -5.711 1.00 22.34 H new ATOM 0 HB2 GLU A 57 -12.477 0.189 -4.395 1.00 41.10 H new ATOM 0 HB3 GLU A 57 -12.399 -1.310 -5.298 1.00 41.10 H new ATOM 0 HG2 GLU A 57 -11.101 -2.284 -3.390 1.00 30.30 H new ATOM 0 HG3 GLU A 57 -11.444 -0.817 -2.494 1.00 30.30 H new ATOM 949 N VAL A 58 -8.644 -0.910 -3.683 1.00 11.10 N ATOM 950 CA VAL A 58 -7.571 -0.710 -2.769 1.00 43.34 C ATOM 951 C VAL A 58 -6.624 0.323 -3.355 1.00 5.35 C ATOM 952 O VAL A 58 -6.363 1.365 -2.744 1.00 14.40 O ATOM 953 CB VAL A 58 -6.799 -2.036 -2.549 1.00 64.02 C ATOM 954 CG1 VAL A 58 -5.488 -1.796 -1.856 1.00 53.40 C ATOM 955 CG2 VAL A 58 -7.625 -3.033 -1.764 1.00 10.33 C ATOM 0 H VAL A 58 -8.684 -1.852 -4.071 1.00 11.10 H new ATOM 0 HA VAL A 58 -7.968 -0.369 -1.813 1.00 43.34 H new ATOM 0 HB VAL A 58 -6.598 -2.456 -3.535 1.00 64.02 H new ATOM 0 HG11 VAL A 58 -4.971 -2.745 -1.717 1.00 53.40 H new ATOM 0 HG12 VAL A 58 -4.872 -1.133 -2.463 1.00 53.40 H new ATOM 0 HG13 VAL A 58 -5.669 -1.335 -0.885 1.00 53.40 H new ATOM 0 HG21 VAL A 58 -7.054 -3.951 -1.628 1.00 10.33 H new ATOM 0 HG22 VAL A 58 -7.874 -2.612 -0.790 1.00 10.33 H new ATOM 0 HG23 VAL A 58 -8.543 -3.254 -2.309 1.00 10.33 H new ATOM 965 N PHE A 59 -6.178 0.042 -4.582 1.00 32.51 N ATOM 966 CA PHE A 59 -5.248 0.883 -5.304 1.00 34.33 C ATOM 967 C PHE A 59 -5.821 2.277 -5.468 1.00 1.43 C ATOM 968 O PHE A 59 -5.095 3.252 -5.406 1.00 64.52 O ATOM 969 CB PHE A 59 -4.913 0.255 -6.669 1.00 12.31 C ATOM 970 CG PHE A 59 -3.855 0.987 -7.458 1.00 31.22 C ATOM 971 CD1 PHE A 59 -2.512 0.760 -7.209 1.00 62.04 C ATOM 972 CD2 PHE A 59 -4.203 1.896 -8.448 1.00 73.12 C ATOM 973 CE1 PHE A 59 -1.536 1.422 -7.927 1.00 11.45 C ATOM 974 CE2 PHE A 59 -3.231 2.563 -9.169 1.00 45.33 C ATOM 975 CZ PHE A 59 -1.893 2.325 -8.906 1.00 12.41 C ATOM 0 H PHE A 59 -6.463 -0.789 -5.100 1.00 32.51 H new ATOM 0 HA PHE A 59 -4.323 0.963 -4.733 1.00 34.33 H new ATOM 0 HB2 PHE A 59 -4.583 -0.772 -6.510 1.00 12.31 H new ATOM 0 HB3 PHE A 59 -5.824 0.208 -7.265 1.00 12.31 H new ATOM 0 HD1 PHE A 59 -2.224 0.056 -6.443 1.00 62.04 H new ATOM 0 HD2 PHE A 59 -5.246 2.084 -8.657 1.00 73.12 H new ATOM 0 HE1 PHE A 59 -0.493 1.233 -7.722 1.00 11.45 H new ATOM 0 HE2 PHE A 59 -3.515 3.268 -9.936 1.00 45.33 H new ATOM 0 HZ PHE A 59 -1.130 2.845 -9.466 1.00 12.41 H new ATOM 985 N THR A 60 -7.135 2.356 -5.620 1.00 74.11 N ATOM 986 CA THR A 60 -7.831 3.563 -5.736 1.00 21.40 C ATOM 987 C THR A 60 -7.561 4.499 -4.535 1.00 53.15 C ATOM 988 O THR A 60 -7.149 5.638 -4.727 1.00 32.41 O ATOM 989 CB THR A 60 -9.311 3.243 -5.853 1.00 75.54 C ATOM 990 OG1 THR A 60 -9.558 2.520 -7.081 1.00 60.31 O ATOM 991 CG2 THR A 60 -10.106 4.489 -5.812 1.00 10.21 C ATOM 0 H THR A 60 -7.738 1.534 -5.664 1.00 74.11 H new ATOM 0 HA THR A 60 -7.488 4.095 -6.624 1.00 21.40 H new ATOM 0 HB THR A 60 -9.612 2.618 -5.012 1.00 75.54 H new ATOM 0 HG1 THR A 60 -9.189 1.615 -7.008 1.00 60.31 H new ATOM 0 HG21 THR A 60 -11.166 4.248 -5.897 1.00 10.21 H new ATOM 0 HG22 THR A 60 -9.926 5.005 -4.869 1.00 10.21 H new ATOM 0 HG23 THR A 60 -9.814 5.135 -6.640 1.00 10.21 H new ATOM 999 N GLU A 61 -7.722 4.003 -3.307 1.00 5.43 N ATOM 1000 CA GLU A 61 -7.521 4.856 -2.152 1.00 71.54 C ATOM 1001 C GLU A 61 -6.062 5.174 -1.931 1.00 74.31 C ATOM 1002 O GLU A 61 -5.726 6.217 -1.383 1.00 52.30 O ATOM 1003 CB GLU A 61 -8.158 4.297 -0.900 1.00 63.13 C ATOM 1004 CG GLU A 61 -9.642 4.475 -0.886 1.00 43.22 C ATOM 1005 CD GLU A 61 -10.287 3.981 0.369 1.00 53.34 C ATOM 1006 OE1 GLU A 61 -10.034 4.548 1.436 1.00 43.33 O ATOM 1007 OE2 GLU A 61 -11.132 3.065 0.297 1.00 11.35 O ATOM 0 H GLU A 61 -7.984 3.040 -3.097 1.00 5.43 H new ATOM 0 HA GLU A 61 -8.031 5.793 -2.375 1.00 71.54 H new ATOM 0 HB2 GLU A 61 -7.922 3.236 -0.818 1.00 63.13 H new ATOM 0 HB3 GLU A 61 -7.728 4.788 -0.027 1.00 63.13 H new ATOM 0 HG2 GLU A 61 -9.875 5.532 -1.014 1.00 43.22 H new ATOM 0 HG3 GLU A 61 -10.072 3.949 -1.738 1.00 43.22 H new ATOM 1014 N VAL A 62 -5.201 4.290 -2.383 1.00 53.42 N ATOM 1015 CA VAL A 62 -3.771 4.504 -2.297 1.00 51.15 C ATOM 1016 C VAL A 62 -3.360 5.598 -3.291 1.00 32.34 C ATOM 1017 O VAL A 62 -2.637 6.539 -2.944 1.00 32.34 O ATOM 1018 CB VAL A 62 -2.992 3.201 -2.583 1.00 5.23 C ATOM 1019 CG1 VAL A 62 -1.509 3.417 -2.409 1.00 54.42 C ATOM 1020 CG2 VAL A 62 -3.465 2.089 -1.666 1.00 22.52 C ATOM 0 H VAL A 62 -5.468 3.407 -2.818 1.00 53.42 H new ATOM 0 HA VAL A 62 -3.527 4.820 -1.283 1.00 51.15 H new ATOM 0 HB VAL A 62 -3.183 2.911 -3.616 1.00 5.23 H new ATOM 0 HG11 VAL A 62 -0.979 2.487 -2.615 1.00 54.42 H new ATOM 0 HG12 VAL A 62 -1.170 4.189 -3.100 1.00 54.42 H new ATOM 0 HG13 VAL A 62 -1.305 3.732 -1.386 1.00 54.42 H new ATOM 0 HG21 VAL A 62 -2.906 1.178 -1.881 1.00 22.52 H new ATOM 0 HG22 VAL A 62 -3.302 2.379 -0.628 1.00 22.52 H new ATOM 0 HG23 VAL A 62 -4.528 1.910 -1.830 1.00 22.52 H new ATOM 1030 N ALA A 63 -3.886 5.496 -4.508 1.00 42.03 N ATOM 1031 CA ALA A 63 -3.655 6.480 -5.563 1.00 2.34 C ATOM 1032 C ALA A 63 -4.247 7.813 -5.167 1.00 24.45 C ATOM 1033 O ALA A 63 -3.764 8.857 -5.557 1.00 11.10 O ATOM 1034 CB ALA A 63 -4.249 6.000 -6.879 1.00 23.51 C ATOM 0 H ALA A 63 -4.488 4.724 -4.793 1.00 42.03 H new ATOM 0 HA ALA A 63 -2.580 6.602 -5.699 1.00 2.34 H new ATOM 0 HB1 ALA A 63 -4.068 6.745 -7.653 1.00 23.51 H new ATOM 0 HB2 ALA A 63 -3.783 5.057 -7.166 1.00 23.51 H new ATOM 0 HB3 ALA A 63 -5.323 5.853 -6.761 1.00 23.51 H new ATOM 1040 N ASN A 64 -5.307 7.739 -4.410 1.00 61.12 N ATOM 1041 CA ASN A 64 -5.988 8.890 -3.845 1.00 2.34 C ATOM 1042 C ASN A 64 -5.221 9.492 -2.679 1.00 32.44 C ATOM 1043 O ASN A 64 -5.294 10.694 -2.431 1.00 72.23 O ATOM 1044 CB ASN A 64 -7.389 8.483 -3.437 1.00 15.54 C ATOM 1045 CG ASN A 64 -8.008 9.303 -2.324 1.00 11.33 C ATOM 1046 OD1 ASN A 64 -8.592 10.372 -2.555 1.00 33.31 O ATOM 1047 ND2 ASN A 64 -7.929 8.782 -1.121 1.00 23.32 N ATOM 0 H ASN A 64 -5.741 6.851 -4.156 1.00 61.12 H new ATOM 0 HA ASN A 64 -6.045 9.670 -4.604 1.00 2.34 H new ATOM 0 HB2 ASN A 64 -8.036 8.544 -4.312 1.00 15.54 H new ATOM 0 HB3 ASN A 64 -7.369 7.438 -3.127 1.00 15.54 H new ATOM 0 HD21 ASN A 64 -8.359 9.260 -0.329 1.00 23.32 H new ATOM 0 HD22 ASN A 64 -7.438 7.899 -0.979 1.00 23.32 H new ATOM 1054 N LEU A 65 -4.492 8.677 -1.975 1.00 44.33 N ATOM 1055 CA LEU A 65 -3.729 9.149 -0.869 1.00 52.12 C ATOM 1056 C LEU A 65 -2.562 9.967 -1.423 1.00 10.00 C ATOM 1057 O LEU A 65 -2.432 11.162 -1.157 1.00 60.35 O ATOM 1058 CB LEU A 65 -3.168 7.971 -0.055 1.00 72.22 C ATOM 1059 CG LEU A 65 -3.078 8.165 1.466 1.00 22.43 C ATOM 1060 CD1 LEU A 65 -3.044 9.594 1.848 1.00 52.45 C ATOM 1061 CD2 LEU A 65 -4.188 7.492 2.178 1.00 44.02 C ATOM 0 H LEU A 65 -4.413 7.676 -2.153 1.00 44.33 H new ATOM 0 HA LEU A 65 -4.362 9.751 -0.217 1.00 52.12 H new ATOM 0 HB2 LEU A 65 -3.788 7.096 -0.250 1.00 72.22 H new ATOM 0 HB3 LEU A 65 -2.170 7.744 -0.429 1.00 72.22 H new ATOM 0 HG LEU A 65 -2.137 7.704 1.767 1.00 22.43 H new ATOM 0 HD11 LEU A 65 -2.980 9.679 2.933 1.00 52.45 H new ATOM 0 HD12 LEU A 65 -2.175 10.071 1.395 1.00 52.45 H new ATOM 0 HD13 LEU A 65 -3.952 10.086 1.498 1.00 52.45 H new ATOM 0 HD21 LEU A 65 -4.084 7.655 3.251 1.00 44.02 H new ATOM 0 HD22 LEU A 65 -5.139 7.902 1.839 1.00 44.02 H new ATOM 0 HD23 LEU A 65 -4.159 6.423 1.969 1.00 44.02 H new ATOM 1073 N PHE A 66 -1.788 9.337 -2.270 1.00 62.51 N ATOM 1074 CA PHE A 66 -0.580 9.934 -2.794 1.00 21.24 C ATOM 1075 C PHE A 66 -0.829 10.537 -4.183 1.00 1.10 C ATOM 1076 O PHE A 66 0.011 10.415 -5.071 1.00 73.43 O ATOM 1077 CB PHE A 66 0.516 8.860 -2.893 1.00 71.04 C ATOM 1078 CG PHE A 66 0.697 8.023 -1.651 1.00 72.22 C ATOM 1079 CD1 PHE A 66 0.935 8.610 -0.423 1.00 63.32 C ATOM 1080 CD2 PHE A 66 0.618 6.644 -1.720 1.00 63.54 C ATOM 1081 CE1 PHE A 66 1.093 7.843 0.710 1.00 43.23 C ATOM 1082 CE2 PHE A 66 0.777 5.872 -0.591 1.00 3.15 C ATOM 1083 CZ PHE A 66 1.015 6.473 0.625 1.00 32.14 C ATOM 0 H PHE A 66 -1.975 8.396 -2.617 1.00 62.51 H new ATOM 0 HA PHE A 66 -0.264 10.731 -2.121 1.00 21.24 H new ATOM 0 HB2 PHE A 66 0.283 8.200 -3.728 1.00 71.04 H new ATOM 0 HB3 PHE A 66 1.463 9.348 -3.126 1.00 71.04 H new ATOM 0 HD1 PHE A 66 0.998 9.686 -0.351 1.00 63.32 H new ATOM 0 HD2 PHE A 66 0.429 6.167 -2.670 1.00 63.54 H new ATOM 0 HE1 PHE A 66 1.278 8.317 1.663 1.00 43.23 H new ATOM 0 HE2 PHE A 66 0.715 4.796 -0.659 1.00 3.15 H new ATOM 0 HZ PHE A 66 1.140 5.869 1.511 1.00 32.14 H new ATOM 1093 N ARG A 67 -1.961 11.224 -4.354 1.00 32.32 N ATOM 1094 CA ARG A 67 -2.296 11.833 -5.652 1.00 23.12 C ATOM 1095 C ARG A 67 -1.249 12.880 -6.008 1.00 63.35 C ATOM 1096 O ARG A 67 -1.044 13.841 -5.256 1.00 65.42 O ATOM 1097 CB ARG A 67 -3.660 12.535 -5.651 1.00 4.34 C ATOM 1098 CG ARG A 67 -4.831 11.719 -5.242 1.00 35.20 C ATOM 1099 CD ARG A 67 -6.119 12.489 -5.445 1.00 32.01 C ATOM 1100 NE ARG A 67 -6.377 12.721 -6.867 1.00 73.45 N ATOM 1101 CZ ARG A 67 -7.330 13.504 -7.386 1.00 73.30 C ATOM 1102 NH1 ARG A 67 -8.079 14.284 -6.604 1.00 52.42 N ATOM 1103 NH2 ARG A 67 -7.511 13.524 -8.702 1.00 41.33 N ATOM 0 H ARG A 67 -2.656 11.374 -3.623 1.00 32.32 H new ATOM 0 HA ARG A 67 -2.325 11.018 -6.375 1.00 23.12 H new ATOM 0 HB2 ARG A 67 -3.598 13.397 -4.987 1.00 4.34 H new ATOM 0 HB3 ARG A 67 -3.846 12.918 -6.654 1.00 4.34 H new ATOM 0 HG2 ARG A 67 -4.858 10.797 -5.822 1.00 35.20 H new ATOM 0 HG3 ARG A 67 -4.733 11.434 -4.194 1.00 35.20 H new ATOM 0 HD2 ARG A 67 -6.950 11.936 -5.007 1.00 32.01 H new ATOM 0 HD3 ARG A 67 -6.062 13.444 -4.922 1.00 32.01 H new ATOM 0 HE ARG A 67 -5.770 12.237 -7.529 1.00 73.45 H new ATOM 0 HH11 ARG A 67 -7.929 14.289 -5.595 1.00 52.42 H new ATOM 0 HH12 ARG A 67 -8.801 14.875 -7.015 1.00 52.42 H new ATOM 0 HH21 ARG A 67 -6.926 12.946 -9.306 1.00 41.33 H new ATOM 0 HH22 ARG A 67 -8.235 14.117 -9.108 1.00 41.33 H new ATOM 1117 N GLY A 68 -0.611 12.714 -7.127 1.00 63.30 N ATOM 1118 CA GLY A 68 0.432 13.625 -7.528 1.00 51.13 C ATOM 1119 C GLY A 68 1.776 12.961 -7.437 1.00 24.31 C ATOM 1120 O GLY A 68 2.737 13.374 -8.079 1.00 12.43 O ATOM 0 H GLY A 68 -0.791 11.955 -7.784 1.00 63.30 H new ATOM 0 HA2 GLY A 68 0.255 13.962 -8.549 1.00 51.13 H new ATOM 0 HA3 GLY A 68 0.414 14.510 -6.892 1.00 51.13 H new ATOM 1124 N GLN A 69 1.856 11.953 -6.610 1.00 52.54 N ATOM 1125 CA GLN A 69 3.018 11.142 -6.476 1.00 12.42 C ATOM 1126 C GLN A 69 2.770 9.841 -7.211 1.00 31.42 C ATOM 1127 O GLN A 69 2.854 8.752 -6.636 1.00 14.44 O ATOM 1128 CB GLN A 69 3.233 10.865 -5.015 1.00 41.25 C ATOM 1129 CG GLN A 69 3.413 12.106 -4.183 1.00 23.13 C ATOM 1130 CD GLN A 69 4.688 12.814 -4.467 1.00 45.21 C ATOM 1131 OE1 GLN A 69 5.720 12.528 -3.875 1.00 62.54 O ATOM 1132 NE2 GLN A 69 4.634 13.759 -5.322 1.00 35.14 N ATOM 0 H GLN A 69 1.089 11.673 -5.998 1.00 52.54 H new ATOM 0 HA GLN A 69 3.896 11.639 -6.888 1.00 12.42 H new ATOM 0 HB2 GLN A 69 2.382 10.302 -4.632 1.00 41.25 H new ATOM 0 HB3 GLN A 69 4.112 10.231 -4.900 1.00 41.25 H new ATOM 0 HG2 GLN A 69 2.579 12.784 -4.365 1.00 23.13 H new ATOM 0 HG3 GLN A 69 3.380 11.837 -3.127 1.00 23.13 H new ATOM 0 HE21 GLN A 69 3.755 13.968 -5.796 1.00 35.14 H new ATOM 0 HE22 GLN A 69 5.469 14.305 -5.532 1.00 35.14 H new ATOM 1141 N GLU A 70 2.497 9.957 -8.498 1.00 34.13 N ATOM 1142 CA GLU A 70 2.178 8.812 -9.344 1.00 22.51 C ATOM 1143 C GLU A 70 3.358 7.867 -9.440 1.00 33.52 C ATOM 1144 O GLU A 70 3.197 6.673 -9.677 1.00 20.55 O ATOM 1145 CB GLU A 70 1.750 9.281 -10.710 1.00 42.13 C ATOM 1146 CG GLU A 70 0.537 10.185 -10.678 1.00 4.51 C ATOM 1147 CD GLU A 70 0.167 10.663 -12.040 1.00 53.43 C ATOM 1148 OE1 GLU A 70 0.877 11.541 -12.574 1.00 61.41 O ATOM 1149 OE2 GLU A 70 -0.812 10.151 -12.627 1.00 55.45 O ATOM 0 H GLU A 70 2.489 10.850 -8.991 1.00 34.13 H new ATOM 0 HA GLU A 70 1.351 8.265 -8.892 1.00 22.51 H new ATOM 0 HB2 GLU A 70 2.578 9.811 -11.181 1.00 42.13 H new ATOM 0 HB3 GLU A 70 1.532 8.413 -11.333 1.00 42.13 H new ATOM 0 HG2 GLU A 70 -0.305 9.649 -10.240 1.00 4.51 H new ATOM 0 HG3 GLU A 70 0.739 11.041 -10.035 1.00 4.51 H new ATOM 1156 N ASP A 71 4.532 8.417 -9.211 1.00 71.10 N ATOM 1157 CA ASP A 71 5.770 7.658 -9.168 1.00 11.41 C ATOM 1158 C ASP A 71 5.689 6.604 -8.068 1.00 11.44 C ATOM 1159 O ASP A 71 6.065 5.453 -8.260 1.00 44.31 O ATOM 1160 CB ASP A 71 6.930 8.612 -8.902 1.00 14.34 C ATOM 1161 CG ASP A 71 8.279 7.942 -8.893 1.00 50.43 C ATOM 1162 OD1 ASP A 71 8.591 7.192 -9.841 1.00 10.34 O ATOM 1163 OD2 ASP A 71 9.073 8.178 -7.949 1.00 31.51 O ATOM 0 H ASP A 71 4.658 9.416 -9.047 1.00 71.10 H new ATOM 0 HA ASP A 71 5.929 7.155 -10.122 1.00 11.41 H new ATOM 0 HB2 ASP A 71 6.928 9.393 -9.663 1.00 14.34 H new ATOM 0 HB3 ASP A 71 6.772 9.102 -7.941 1.00 14.34 H new ATOM 1168 N LEU A 72 5.119 7.000 -6.939 1.00 52.54 N ATOM 1169 CA LEU A 72 4.954 6.111 -5.806 1.00 0.11 C ATOM 1170 C LEU A 72 3.870 5.088 -6.099 1.00 21.11 C ATOM 1171 O LEU A 72 3.979 3.924 -5.724 1.00 52.41 O ATOM 1172 CB LEU A 72 4.573 6.892 -4.538 1.00 53.22 C ATOM 1173 CG LEU A 72 5.597 7.893 -4.004 1.00 41.13 C ATOM 1174 CD1 LEU A 72 5.038 8.622 -2.796 1.00 71.11 C ATOM 1175 CD2 LEU A 72 6.876 7.184 -3.621 1.00 63.02 C ATOM 0 H LEU A 72 4.761 7.943 -6.786 1.00 52.54 H new ATOM 0 HA LEU A 72 5.906 5.608 -5.638 1.00 0.11 H new ATOM 0 HB2 LEU A 72 3.646 7.430 -4.737 1.00 53.22 H new ATOM 0 HB3 LEU A 72 4.360 6.172 -3.748 1.00 53.22 H new ATOM 0 HG LEU A 72 5.813 8.616 -4.790 1.00 41.13 H new ATOM 0 HD11 LEU A 72 5.777 9.332 -2.425 1.00 71.11 H new ATOM 0 HD12 LEU A 72 4.132 9.157 -3.081 1.00 71.11 H new ATOM 0 HD13 LEU A 72 4.803 7.901 -2.013 1.00 71.11 H new ATOM 0 HD21 LEU A 72 7.595 7.910 -3.243 1.00 63.02 H new ATOM 0 HD22 LEU A 72 6.665 6.445 -2.848 1.00 63.02 H new ATOM 0 HD23 LEU A 72 7.291 6.684 -4.496 1.00 63.02 H new ATOM 1187 N LEU A 73 2.855 5.524 -6.807 1.00 55.33 N ATOM 1188 CA LEU A 73 1.694 4.698 -7.106 1.00 31.23 C ATOM 1189 C LEU A 73 2.094 3.548 -8.014 1.00 63.45 C ATOM 1190 O LEU A 73 1.716 2.395 -7.786 1.00 71.22 O ATOM 1191 CB LEU A 73 0.594 5.562 -7.740 1.00 2.25 C ATOM 1192 CG LEU A 73 0.203 6.817 -6.933 1.00 72.31 C ATOM 1193 CD1 LEU A 73 -0.894 7.610 -7.603 1.00 44.20 C ATOM 1194 CD2 LEU A 73 -0.193 6.463 -5.518 1.00 23.34 C ATOM 0 H LEU A 73 2.805 6.465 -7.197 1.00 55.33 H new ATOM 0 HA LEU A 73 1.299 4.271 -6.184 1.00 31.23 H new ATOM 0 HB2 LEU A 73 0.924 5.874 -8.731 1.00 2.25 H new ATOM 0 HB3 LEU A 73 -0.295 4.947 -7.879 1.00 2.25 H new ATOM 0 HG LEU A 73 1.091 7.449 -6.896 1.00 72.31 H new ATOM 0 HD11 LEU A 73 -1.134 8.483 -6.997 1.00 44.20 H new ATOM 0 HD12 LEU A 73 -0.559 7.933 -8.589 1.00 44.20 H new ATOM 0 HD13 LEU A 73 -1.782 6.986 -7.708 1.00 44.20 H new ATOM 0 HD21 LEU A 73 -0.462 7.371 -4.978 1.00 23.34 H new ATOM 0 HD22 LEU A 73 -1.047 5.786 -5.538 1.00 23.34 H new ATOM 0 HD23 LEU A 73 0.644 5.977 -5.017 1.00 23.34 H new ATOM 1206 N SER A 74 2.900 3.857 -9.005 1.00 75.12 N ATOM 1207 CA SER A 74 3.420 2.866 -9.907 1.00 34.43 C ATOM 1208 C SER A 74 4.295 1.828 -9.165 1.00 21.33 C ATOM 1209 O SER A 74 4.171 0.617 -9.406 1.00 64.41 O ATOM 1210 CB SER A 74 4.192 3.562 -11.020 1.00 30.42 C ATOM 1211 OG SER A 74 3.325 4.418 -11.762 1.00 43.23 O ATOM 0 H SER A 74 3.212 4.807 -9.205 1.00 75.12 H new ATOM 0 HA SER A 74 2.591 2.311 -10.346 1.00 34.43 H new ATOM 0 HB2 SER A 74 5.012 4.142 -10.596 1.00 30.42 H new ATOM 0 HB3 SER A 74 4.636 2.820 -11.683 1.00 30.42 H new ATOM 0 HG SER A 74 3.137 5.226 -11.240 1.00 43.23 H new ATOM 1217 N GLU A 75 5.126 2.295 -8.227 1.00 43.42 N ATOM 1218 CA GLU A 75 6.006 1.402 -7.468 1.00 2.14 C ATOM 1219 C GLU A 75 5.220 0.546 -6.476 1.00 40.43 C ATOM 1220 O GLU A 75 5.605 -0.585 -6.169 1.00 44.45 O ATOM 1221 CB GLU A 75 7.115 2.174 -6.755 1.00 32.31 C ATOM 1222 CG GLU A 75 8.025 2.934 -7.698 1.00 22.54 C ATOM 1223 CD GLU A 75 9.234 3.504 -7.013 1.00 75.44 C ATOM 1224 OE1 GLU A 75 10.225 2.763 -6.830 1.00 1.34 O ATOM 1225 OE2 GLU A 75 9.257 4.705 -6.684 1.00 70.34 O ATOM 0 H GLU A 75 5.207 3.280 -7.977 1.00 43.42 H new ATOM 0 HA GLU A 75 6.475 0.733 -8.189 1.00 2.14 H new ATOM 0 HB2 GLU A 75 6.665 2.876 -6.053 1.00 32.31 H new ATOM 0 HB3 GLU A 75 7.713 1.476 -6.169 1.00 32.31 H new ATOM 0 HG2 GLU A 75 8.348 2.268 -8.498 1.00 22.54 H new ATOM 0 HG3 GLU A 75 7.463 3.743 -8.164 1.00 22.54 H new ATOM 1232 N PHE A 76 4.113 1.082 -6.005 1.00 72.02 N ATOM 1233 CA PHE A 76 3.222 0.381 -5.085 1.00 5.44 C ATOM 1234 C PHE A 76 2.706 -0.894 -5.746 1.00 24.13 C ATOM 1235 O PHE A 76 2.760 -1.985 -5.163 1.00 12.02 O ATOM 1236 CB PHE A 76 2.058 1.313 -4.700 1.00 42.53 C ATOM 1237 CG PHE A 76 1.019 0.713 -3.806 1.00 32.34 C ATOM 1238 CD1 PHE A 76 1.266 0.526 -2.460 1.00 51.32 C ATOM 1239 CD2 PHE A 76 -0.210 0.344 -4.318 1.00 1.33 C ATOM 1240 CE1 PHE A 76 0.303 -0.023 -1.638 1.00 61.01 C ATOM 1241 CE2 PHE A 76 -1.180 -0.206 -3.505 1.00 11.25 C ATOM 1242 CZ PHE A 76 -0.920 -0.390 -2.160 1.00 63.41 C ATOM 0 H PHE A 76 3.799 2.022 -6.247 1.00 72.02 H new ATOM 0 HA PHE A 76 3.761 0.103 -4.179 1.00 5.44 H new ATOM 0 HB2 PHE A 76 2.469 2.195 -4.209 1.00 42.53 H new ATOM 0 HB3 PHE A 76 1.572 1.655 -5.614 1.00 42.53 H new ATOM 0 HD1 PHE A 76 2.222 0.812 -2.047 1.00 51.32 H new ATOM 0 HD2 PHE A 76 -0.414 0.488 -5.369 1.00 1.33 H new ATOM 0 HE1 PHE A 76 0.507 -0.165 -0.587 1.00 61.01 H new ATOM 0 HE2 PHE A 76 -2.137 -0.491 -3.917 1.00 11.25 H new ATOM 0 HZ PHE A 76 -1.674 -0.821 -1.518 1.00 63.41 H new