USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 24:sc= 0.143 USER MOD Single : A 13 TYR OH : rot 141:sc= -0.173 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0053) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 88:sc= 0.365 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= -0.152 USER MOD Single : A 30 SER OG : rot 95:sc= 1.22 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 86:sc= 1.29 USER MOD Single : A 64 ASN : amide:sc= 1.38 K(o=1.4,f=-6.3!) USER MOD Single : A 69 GLN : amide:sc= -2! C(o=-2!,f=-4.5!) USER MOD Single : A 74 SER OG : rot 91:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 11.793 0.531 1.294 1.00 55.21 N ATOM 159 CA SER A 12 12.378 1.707 0.694 1.00 55.33 C ATOM 160 C SER A 12 11.242 2.591 0.139 1.00 54.42 C ATOM 161 O SER A 12 11.250 3.807 0.295 1.00 14.01 O ATOM 162 CB SER A 12 13.353 1.286 -0.403 1.00 21.11 C ATOM 163 OG SER A 12 14.325 0.370 0.111 1.00 4.55 O ATOM 0 HA SER A 12 12.938 2.282 1.431 1.00 55.33 H new ATOM 0 HB2 SER A 12 12.807 0.822 -1.224 1.00 21.11 H new ATOM 0 HB3 SER A 12 13.853 2.165 -0.809 1.00 21.11 H new ATOM 0 HG SER A 12 13.962 -0.083 0.901 1.00 4.55 H new ATOM 169 N TYR A 13 10.236 1.932 -0.436 1.00 44.51 N ATOM 170 CA TYR A 13 9.017 2.579 -0.906 1.00 42.03 C ATOM 171 C TYR A 13 8.290 3.282 0.258 1.00 61.34 C ATOM 172 O TYR A 13 7.852 4.420 0.132 1.00 22.35 O ATOM 173 CB TYR A 13 8.118 1.521 -1.589 1.00 25.13 C ATOM 174 CG TYR A 13 6.663 1.902 -1.771 1.00 32.22 C ATOM 175 CD1 TYR A 13 6.258 2.751 -2.780 1.00 42.42 C ATOM 176 CD2 TYR A 13 5.689 1.386 -0.917 1.00 35.44 C ATOM 177 CE1 TYR A 13 4.928 3.084 -2.930 1.00 74.43 C ATOM 178 CE2 TYR A 13 4.361 1.716 -1.065 1.00 0.22 C ATOM 179 CZ TYR A 13 3.986 2.566 -2.072 1.00 13.22 C ATOM 180 OH TYR A 13 2.661 2.907 -2.221 1.00 60.42 O ATOM 0 H TYR A 13 10.247 0.924 -0.589 1.00 44.51 H new ATOM 0 HA TYR A 13 9.265 3.350 -1.636 1.00 42.03 H new ATOM 0 HB2 TYR A 13 8.539 1.294 -2.569 1.00 25.13 H new ATOM 0 HB3 TYR A 13 8.162 0.603 -1.003 1.00 25.13 H new ATOM 0 HD1 TYR A 13 6.991 3.160 -3.460 1.00 42.42 H new ATOM 0 HD2 TYR A 13 5.982 0.714 -0.124 1.00 35.44 H new ATOM 0 HE1 TYR A 13 4.626 3.753 -3.722 1.00 74.43 H new ATOM 0 HE2 TYR A 13 3.621 1.308 -0.393 1.00 0.22 H new ATOM 0 HH TYR A 13 2.100 2.122 -2.048 1.00 60.42 H new ATOM 190 N VAL A 14 8.187 2.599 1.385 1.00 73.33 N ATOM 191 CA VAL A 14 7.556 3.156 2.570 1.00 25.14 C ATOM 192 C VAL A 14 8.362 4.335 3.123 1.00 63.55 C ATOM 193 O VAL A 14 7.792 5.367 3.467 1.00 24.43 O ATOM 194 CB VAL A 14 7.325 2.092 3.680 1.00 61.13 C ATOM 195 CG1 VAL A 14 6.771 2.742 4.932 1.00 31.34 C ATOM 196 CG2 VAL A 14 6.366 1.016 3.198 1.00 64.14 C ATOM 0 H VAL A 14 8.536 1.648 1.505 1.00 73.33 H new ATOM 0 HA VAL A 14 6.576 3.515 2.256 1.00 25.14 H new ATOM 0 HB VAL A 14 8.286 1.633 3.912 1.00 61.13 H new ATOM 0 HG11 VAL A 14 6.616 1.982 5.698 1.00 31.34 H new ATOM 0 HG12 VAL A 14 7.477 3.487 5.298 1.00 31.34 H new ATOM 0 HG13 VAL A 14 5.821 3.225 4.702 1.00 31.34 H new ATOM 0 HG21 VAL A 14 6.217 0.281 3.989 1.00 64.14 H new ATOM 0 HG22 VAL A 14 5.409 1.470 2.940 1.00 64.14 H new ATOM 0 HG23 VAL A 14 6.783 0.524 2.319 1.00 64.14 H new ATOM 206 N ASN A 15 9.680 4.183 3.199 1.00 44.24 N ATOM 207 CA ASN A 15 10.559 5.225 3.656 1.00 53.12 C ATOM 208 C ASN A 15 10.418 6.492 2.798 1.00 33.31 C ATOM 209 O ASN A 15 10.534 7.632 3.307 1.00 72.02 O ATOM 210 CB ASN A 15 11.951 4.704 3.581 1.00 44.31 C ATOM 211 CG ASN A 15 12.943 5.610 4.197 1.00 40.41 C ATOM 212 OD1 ASN A 15 12.643 6.375 5.119 1.00 53.20 O ATOM 213 ND2 ASN A 15 14.118 5.512 3.748 1.00 1.13 N ATOM 0 H ASN A 15 10.161 3.322 2.940 1.00 44.24 H new ATOM 0 HA ASN A 15 10.303 5.501 4.679 1.00 53.12 H new ATOM 0 HB2 ASN A 15 11.997 3.734 4.076 1.00 44.31 H new ATOM 0 HB3 ASN A 15 12.216 4.541 2.536 1.00 44.31 H new ATOM 0 HD21 ASN A 15 14.866 6.078 4.148 1.00 1.13 H new ATOM 0 HD22 ASN A 15 14.320 4.866 2.985 1.00 1.13 H new ATOM 220 N LYS A 16 10.177 6.287 1.507 1.00 12.22 N ATOM 221 CA LYS A 16 9.885 7.388 0.584 1.00 53.24 C ATOM 222 C LYS A 16 8.678 8.141 1.094 1.00 23.02 C ATOM 223 O LYS A 16 8.738 9.345 1.310 1.00 51.13 O ATOM 224 CB LYS A 16 9.549 6.892 -0.822 1.00 63.24 C ATOM 225 CG LYS A 16 10.636 6.198 -1.573 1.00 33.35 C ATOM 226 CD LYS A 16 10.079 5.709 -2.888 1.00 60.11 C ATOM 227 CE LYS A 16 11.070 4.895 -3.665 1.00 64.04 C ATOM 228 NZ LYS A 16 12.231 5.681 -4.122 1.00 33.23 N ATOM 0 H LYS A 16 10.177 5.365 1.071 1.00 12.22 H new ATOM 0 HA LYS A 16 10.775 8.015 0.533 1.00 53.24 H new ATOM 0 HB2 LYS A 16 8.701 6.211 -0.748 1.00 63.24 H new ATOM 0 HB3 LYS A 16 9.221 7.747 -1.413 1.00 63.24 H new ATOM 0 HG2 LYS A 16 11.470 6.878 -1.745 1.00 33.35 H new ATOM 0 HG3 LYS A 16 11.022 5.361 -0.991 1.00 33.35 H new ATOM 0 HD2 LYS A 16 9.188 5.109 -2.701 1.00 60.11 H new ATOM 0 HD3 LYS A 16 9.767 6.564 -3.487 1.00 60.11 H new ATOM 0 HE2 LYS A 16 11.419 4.069 -3.045 1.00 64.04 H new ATOM 0 HE3 LYS A 16 10.572 4.456 -4.530 1.00 64.04 H new ATOM 0 HZ1 LYS A 16 12.863 5.073 -4.681 1.00 33.23 H new ATOM 0 HZ2 LYS A 16 11.904 6.474 -4.710 1.00 33.23 H new ATOM 0 HZ3 LYS A 16 12.746 6.051 -3.298 1.00 33.23 H new ATOM 242 N ILE A 17 7.599 7.390 1.334 1.00 73.14 N ATOM 243 CA ILE A 17 6.333 7.913 1.811 1.00 72.10 C ATOM 244 C ILE A 17 6.542 8.697 3.100 1.00 14.11 C ATOM 245 O ILE A 17 6.066 9.827 3.231 1.00 1.35 O ATOM 246 CB ILE A 17 5.343 6.760 2.095 1.00 60.34 C ATOM 247 CG1 ILE A 17 5.118 5.898 0.850 1.00 71.21 C ATOM 248 CG2 ILE A 17 4.032 7.311 2.599 1.00 43.24 C ATOM 249 CD1 ILE A 17 4.244 4.685 1.099 1.00 13.44 C ATOM 0 H ILE A 17 7.590 6.379 1.196 1.00 73.14 H new ATOM 0 HA ILE A 17 5.926 8.565 1.038 1.00 72.10 H new ATOM 0 HB ILE A 17 5.779 6.124 2.865 1.00 60.34 H new ATOM 0 HG12 ILE A 17 4.661 6.510 0.072 1.00 71.21 H new ATOM 0 HG13 ILE A 17 6.084 5.567 0.469 1.00 71.21 H new ATOM 0 HG21 ILE A 17 3.343 6.489 2.795 1.00 43.24 H new ATOM 0 HG22 ILE A 17 4.202 7.870 3.519 1.00 43.24 H new ATOM 0 HG23 ILE A 17 3.602 7.973 1.847 1.00 43.24 H new ATOM 0 HD11 ILE A 17 4.129 4.123 0.172 1.00 13.44 H new ATOM 0 HD12 ILE A 17 4.709 4.050 1.853 1.00 13.44 H new ATOM 0 HD13 ILE A 17 3.264 5.008 1.451 1.00 13.44 H new ATOM 261 N LYS A 18 7.293 8.091 4.023 1.00 52.42 N ATOM 262 CA LYS A 18 7.605 8.686 5.317 1.00 42.14 C ATOM 263 C LYS A 18 8.149 10.092 5.144 1.00 61.44 C ATOM 264 O LYS A 18 7.672 11.013 5.753 1.00 35.12 O ATOM 265 CB LYS A 18 8.679 7.881 6.061 1.00 2.42 C ATOM 266 CG LYS A 18 8.327 6.492 6.440 1.00 31.34 C ATOM 267 CD LYS A 18 9.463 5.884 7.215 1.00 62.35 C ATOM 268 CE LYS A 18 9.262 4.420 7.399 1.00 3.23 C ATOM 269 NZ LYS A 18 10.350 3.821 8.184 1.00 33.32 N ATOM 0 H LYS A 18 7.703 7.167 3.889 1.00 52.42 H new ATOM 0 HA LYS A 18 6.675 8.693 5.886 1.00 42.14 H new ATOM 0 HB2 LYS A 18 9.572 7.847 5.437 1.00 2.42 H new ATOM 0 HB3 LYS A 18 8.944 8.424 6.968 1.00 2.42 H new ATOM 0 HG2 LYS A 18 7.418 6.486 7.041 1.00 31.34 H new ATOM 0 HG3 LYS A 18 8.123 5.900 5.548 1.00 31.34 H new ATOM 0 HD2 LYS A 18 10.402 6.062 6.691 1.00 62.35 H new ATOM 0 HD3 LYS A 18 9.544 6.368 8.188 1.00 62.35 H new ATOM 0 HE2 LYS A 18 8.310 4.243 7.900 1.00 3.23 H new ATOM 0 HE3 LYS A 18 9.205 3.934 6.425 1.00 3.23 H new ATOM 0 HZ1 LYS A 18 10.179 2.801 8.293 1.00 33.32 H new ATOM 0 HZ2 LYS A 18 11.255 3.969 7.693 1.00 33.32 H new ATOM 0 HZ3 LYS A 18 10.388 4.268 9.122 1.00 33.32 H new ATOM 283 N THR A 19 9.130 10.210 4.286 1.00 44.40 N ATOM 284 CA THR A 19 9.843 11.414 4.004 1.00 73.25 C ATOM 285 C THR A 19 8.995 12.403 3.173 1.00 2.35 C ATOM 286 O THR A 19 8.965 13.602 3.446 1.00 4.23 O ATOM 287 CB THR A 19 11.064 10.970 3.194 1.00 35.45 C ATOM 288 OG1 THR A 19 11.968 10.167 3.981 1.00 1.13 O ATOM 289 CG2 THR A 19 11.753 12.105 2.491 1.00 75.12 C ATOM 0 H THR A 19 9.466 9.418 3.738 1.00 44.40 H new ATOM 0 HA THR A 19 10.108 11.936 4.923 1.00 73.25 H new ATOM 0 HB THR A 19 10.686 10.328 2.398 1.00 35.45 H new ATOM 0 HG1 THR A 19 11.700 9.226 3.928 1.00 1.13 H new ATOM 0 HG21 THR A 19 12.609 11.723 1.936 1.00 75.12 H new ATOM 0 HG22 THR A 19 11.057 12.582 1.801 1.00 75.12 H new ATOM 0 HG23 THR A 19 12.093 12.835 3.225 1.00 75.12 H new ATOM 297 N ARG A 20 8.334 11.893 2.183 1.00 65.15 N ATOM 298 CA ARG A 20 7.563 12.693 1.257 1.00 54.33 C ATOM 299 C ARG A 20 6.344 13.302 1.880 1.00 24.40 C ATOM 300 O ARG A 20 5.857 14.345 1.442 1.00 43.40 O ATOM 301 CB ARG A 20 7.243 11.854 0.033 1.00 20.24 C ATOM 302 CG ARG A 20 8.435 11.782 -0.911 1.00 64.33 C ATOM 303 CD ARG A 20 8.437 12.935 -1.928 1.00 11.11 C ATOM 304 NE ARG A 20 7.982 14.216 -1.356 1.00 2.12 N ATOM 305 CZ ARG A 20 8.674 15.353 -1.315 1.00 53.12 C ATOM 306 NH1 ARG A 20 9.942 15.403 -1.752 1.00 41.03 N ATOM 307 NH2 ARG A 20 8.089 16.445 -0.826 1.00 32.44 N ATOM 0 H ARG A 20 8.308 10.893 1.983 1.00 65.15 H new ATOM 0 HA ARG A 20 8.164 13.549 0.951 1.00 54.33 H new ATOM 0 HB2 ARG A 20 6.959 10.848 0.342 1.00 20.24 H new ATOM 0 HB3 ARG A 20 6.387 12.280 -0.490 1.00 20.24 H new ATOM 0 HG2 ARG A 20 9.358 11.808 -0.332 1.00 64.33 H new ATOM 0 HG3 ARG A 20 8.419 10.830 -1.442 1.00 64.33 H new ATOM 0 HD2 ARG A 20 9.445 13.059 -2.324 1.00 11.11 H new ATOM 0 HD3 ARG A 20 7.794 12.671 -2.768 1.00 11.11 H new ATOM 0 HE ARG A 20 7.045 14.233 -0.952 1.00 2.12 H new ATOM 0 HH11 ARG A 20 10.388 14.563 -2.122 1.00 41.03 H new ATOM 0 HH12 ARG A 20 10.460 16.281 -1.715 1.00 41.03 H new ATOM 0 HH21 ARG A 20 7.127 16.401 -0.491 1.00 32.44 H new ATOM 0 HH22 ARG A 20 8.603 17.325 -0.787 1.00 32.44 H new ATOM 321 N PHE A 21 5.874 12.677 2.896 1.00 74.42 N ATOM 322 CA PHE A 21 4.733 13.129 3.608 1.00 21.32 C ATOM 323 C PHE A 21 5.120 13.264 5.065 1.00 51.33 C ATOM 324 O PHE A 21 4.321 13.064 5.971 1.00 4.12 O ATOM 325 CB PHE A 21 3.596 12.144 3.395 1.00 1.21 C ATOM 326 CG PHE A 21 3.253 11.981 1.931 1.00 73.50 C ATOM 327 CD1 PHE A 21 2.415 12.880 1.295 1.00 11.22 C ATOM 328 CD2 PHE A 21 3.778 10.931 1.198 1.00 24.44 C ATOM 329 CE1 PHE A 21 2.105 12.728 -0.040 1.00 52.53 C ATOM 330 CE2 PHE A 21 3.477 10.775 -0.125 1.00 63.11 C ATOM 331 CZ PHE A 21 2.633 11.673 -0.751 1.00 53.21 C ATOM 0 H PHE A 21 6.280 11.817 3.265 1.00 74.42 H new ATOM 0 HA PHE A 21 4.388 14.100 3.253 1.00 21.32 H new ATOM 0 HB2 PHE A 21 3.872 11.176 3.812 1.00 1.21 H new ATOM 0 HB3 PHE A 21 2.715 12.485 3.938 1.00 1.21 H new ATOM 0 HD1 PHE A 21 2.000 13.709 1.850 1.00 11.22 H new ATOM 0 HD2 PHE A 21 4.436 10.223 1.680 1.00 24.44 H new ATOM 0 HE1 PHE A 21 1.450 13.435 -0.527 1.00 52.53 H new ATOM 0 HE2 PHE A 21 3.898 9.951 -0.682 1.00 63.11 H new ATOM 0 HZ PHE A 21 2.388 11.548 -1.795 1.00 53.21 H new ATOM 341 N LEU A 22 6.364 13.679 5.267 1.00 70.21 N ATOM 342 CA LEU A 22 6.971 13.789 6.574 1.00 64.33 C ATOM 343 C LEU A 22 6.270 14.844 7.438 1.00 74.02 C ATOM 344 O LEU A 22 6.200 14.705 8.658 1.00 20.14 O ATOM 345 CB LEU A 22 8.479 14.071 6.417 1.00 60.33 C ATOM 346 CG LEU A 22 9.452 13.123 7.090 1.00 35.32 C ATOM 347 CD1 LEU A 22 10.886 13.580 6.893 1.00 61.21 C ATOM 348 CD2 LEU A 22 9.140 12.995 8.525 1.00 62.24 C ATOM 0 H LEU A 22 6.987 13.953 4.507 1.00 70.21 H new ATOM 0 HA LEU A 22 6.851 12.842 7.101 1.00 64.33 H new ATOM 0 HB2 LEU A 22 8.708 14.084 5.351 1.00 60.33 H new ATOM 0 HB3 LEU A 22 8.673 15.074 6.797 1.00 60.33 H new ATOM 0 HG LEU A 22 9.346 12.144 6.624 1.00 35.32 H new ATOM 0 HD11 LEU A 22 11.562 12.881 7.386 1.00 61.21 H new ATOM 0 HD12 LEU A 22 11.114 13.614 5.828 1.00 61.21 H new ATOM 0 HD13 LEU A 22 11.014 14.573 7.323 1.00 61.21 H new ATOM 0 HD21 LEU A 22 9.849 12.311 8.992 1.00 62.24 H new ATOM 0 HD22 LEU A 22 9.212 13.973 9.002 1.00 62.24 H new ATOM 0 HD23 LEU A 22 8.128 12.607 8.644 1.00 62.24 H new ATOM 360 N ASP A 23 5.700 15.858 6.802 1.00 5.23 N ATOM 361 CA ASP A 23 4.970 16.899 7.517 1.00 63.33 C ATOM 362 C ASP A 23 3.544 16.484 7.739 1.00 73.12 C ATOM 363 O ASP A 23 2.797 17.144 8.456 1.00 42.22 O ATOM 364 CB ASP A 23 4.917 18.192 6.714 1.00 35.55 C ATOM 365 CG ASP A 23 6.212 18.926 6.581 1.00 44.04 C ATOM 366 OD1 ASP A 23 6.571 19.700 7.491 1.00 25.14 O ATOM 367 OD2 ASP A 23 6.870 18.802 5.534 1.00 21.24 O ATOM 0 H ASP A 23 5.728 15.983 5.790 1.00 5.23 H new ATOM 0 HA ASP A 23 5.495 17.052 8.460 1.00 63.33 H new ATOM 0 HB2 ASP A 23 4.546 17.963 5.715 1.00 35.55 H new ATOM 0 HB3 ASP A 23 4.190 18.857 7.179 1.00 35.55 H new ATOM 372 N HIS A 24 3.153 15.416 7.113 1.00 40.10 N ATOM 373 CA HIS A 24 1.773 14.995 7.135 1.00 30.54 C ATOM 374 C HIS A 24 1.611 13.587 7.687 1.00 20.41 C ATOM 375 O HIS A 24 1.589 12.608 6.924 1.00 70.05 O ATOM 376 CB HIS A 24 1.169 15.080 5.736 1.00 3.04 C ATOM 377 CG HIS A 24 1.084 16.466 5.171 1.00 64.10 C ATOM 378 ND1 HIS A 24 2.076 17.061 4.420 1.00 74.53 N ATOM 379 CD2 HIS A 24 0.093 17.373 5.263 1.00 53.25 C ATOM 380 CE1 HIS A 24 1.665 18.288 4.094 1.00 22.55 C ATOM 381 NE2 HIS A 24 0.461 18.534 4.582 1.00 25.54 N ATOM 0 H HIS A 24 3.772 14.811 6.574 1.00 40.10 H new ATOM 0 HA HIS A 24 1.241 15.673 7.802 1.00 30.54 H new ATOM 0 HB2 HIS A 24 1.763 14.463 5.061 1.00 3.04 H new ATOM 0 HB3 HIS A 24 0.167 14.651 5.761 1.00 3.04 H new ATOM 0 HD2 HIS A 24 -0.842 17.225 5.783 1.00 53.25 H new ATOM 0 HE1 HIS A 24 2.241 18.989 3.508 1.00 22.55 H new ATOM 0 HE2 HIS A 24 -0.083 19.391 4.482 1.00 25.54 H new ATOM 389 N PRO A 25 1.501 13.450 9.017 1.00 32.25 N ATOM 390 CA PRO A 25 1.345 12.146 9.664 1.00 5.41 C ATOM 391 C PRO A 25 0.026 11.483 9.267 1.00 41.00 C ATOM 392 O PRO A 25 -0.072 10.249 9.195 1.00 24.42 O ATOM 393 CB PRO A 25 1.343 12.478 11.165 1.00 62.11 C ATOM 394 CG PRO A 25 1.927 13.844 11.262 1.00 64.12 C ATOM 395 CD PRO A 25 1.533 14.545 10.004 1.00 11.22 C ATOM 0 HA PRO A 25 2.132 11.447 9.379 1.00 5.41 H new ATOM 0 HB2 PRO A 25 0.333 12.452 11.573 1.00 62.11 H new ATOM 0 HB3 PRO A 25 1.934 11.756 11.729 1.00 62.11 H new ATOM 0 HG2 PRO A 25 1.548 14.370 12.138 1.00 64.12 H new ATOM 0 HG3 PRO A 25 3.012 13.799 11.362 1.00 64.12 H new ATOM 0 HD2 PRO A 25 0.563 15.032 10.099 1.00 11.22 H new ATOM 0 HD3 PRO A 25 2.252 15.317 9.729 1.00 11.22 H new ATOM 403 N GLU A 26 -0.977 12.316 8.957 1.00 14.12 N ATOM 404 CA GLU A 26 -2.284 11.844 8.565 1.00 1.31 C ATOM 405 C GLU A 26 -2.193 11.016 7.282 1.00 32.02 C ATOM 406 O GLU A 26 -2.836 9.991 7.158 1.00 11.11 O ATOM 407 CB GLU A 26 -3.248 13.020 8.360 1.00 53.14 C ATOM 408 CG GLU A 26 -2.877 13.913 7.195 1.00 72.21 C ATOM 409 CD GLU A 26 -3.851 15.022 6.937 1.00 51.21 C ATOM 410 OE1 GLU A 26 -3.833 16.035 7.671 1.00 60.41 O ATOM 411 OE2 GLU A 26 -4.633 14.922 5.963 1.00 30.55 O ATOM 0 H GLU A 26 -0.891 13.332 8.975 1.00 14.12 H new ATOM 0 HA GLU A 26 -2.669 11.213 9.366 1.00 1.31 H new ATOM 0 HB2 GLU A 26 -4.254 12.631 8.203 1.00 53.14 H new ATOM 0 HB3 GLU A 26 -3.277 13.618 9.271 1.00 53.14 H new ATOM 0 HG2 GLU A 26 -1.893 14.344 7.381 1.00 72.21 H new ATOM 0 HG3 GLU A 26 -2.792 13.302 6.296 1.00 72.21 H new ATOM 418 N ILE A 27 -1.341 11.450 6.366 1.00 4.43 N ATOM 419 CA ILE A 27 -1.190 10.832 5.073 1.00 72.14 C ATOM 420 C ILE A 27 -0.530 9.486 5.205 1.00 50.10 C ATOM 421 O ILE A 27 -0.954 8.514 4.569 1.00 22.41 O ATOM 422 CB ILE A 27 -0.403 11.773 4.141 1.00 55.22 C ATOM 423 CG1 ILE A 27 -1.257 13.031 3.900 1.00 5.53 C ATOM 424 CG2 ILE A 27 -0.003 11.089 2.837 1.00 53.04 C ATOM 425 CD1 ILE A 27 -0.675 14.019 2.935 1.00 54.15 C ATOM 0 H ILE A 27 -0.730 12.254 6.510 1.00 4.43 H new ATOM 0 HA ILE A 27 -2.172 10.663 4.631 1.00 72.14 H new ATOM 0 HB ILE A 27 0.536 12.056 4.616 1.00 55.22 H new ATOM 0 HG12 ILE A 27 -2.236 12.722 3.534 1.00 5.53 H new ATOM 0 HG13 ILE A 27 -1.417 13.531 4.855 1.00 5.53 H new ATOM 0 HG21 ILE A 27 0.549 11.791 2.212 1.00 53.04 H new ATOM 0 HG22 ILE A 27 0.626 10.226 3.057 1.00 53.04 H new ATOM 0 HG23 ILE A 27 -0.898 10.760 2.309 1.00 53.04 H new ATOM 0 HD11 ILE A 27 -1.350 14.869 2.833 1.00 54.15 H new ATOM 0 HD12 ILE A 27 0.290 14.365 3.306 1.00 54.15 H new ATOM 0 HD13 ILE A 27 -0.541 13.543 1.963 1.00 54.15 H new ATOM 437 N TYR A 28 0.451 9.414 6.083 1.00 51.52 N ATOM 438 CA TYR A 28 1.134 8.171 6.350 1.00 43.22 C ATOM 439 C TYR A 28 0.110 7.190 6.920 1.00 73.25 C ATOM 440 O TYR A 28 -0.107 6.109 6.371 1.00 42.23 O ATOM 441 CB TYR A 28 2.257 8.395 7.371 1.00 44.51 C ATOM 442 CG TYR A 28 3.238 7.241 7.480 1.00 21.31 C ATOM 443 CD1 TYR A 28 4.135 6.967 6.454 1.00 3.34 C ATOM 444 CD2 TYR A 28 3.255 6.423 8.594 1.00 24.45 C ATOM 445 CE1 TYR A 28 5.013 5.908 6.538 1.00 4.42 C ATOM 446 CE2 TYR A 28 4.133 5.358 8.691 1.00 60.10 C ATOM 447 CZ TYR A 28 5.006 5.099 7.665 1.00 64.33 C ATOM 448 OH TYR A 28 5.883 4.034 7.769 1.00 73.53 O ATOM 0 H TYR A 28 0.792 10.208 6.625 1.00 51.52 H new ATOM 0 HA TYR A 28 1.575 7.779 5.434 1.00 43.22 H new ATOM 0 HB2 TYR A 28 2.804 9.298 7.100 1.00 44.51 H new ATOM 0 HB3 TYR A 28 1.812 8.573 8.350 1.00 44.51 H new ATOM 0 HD1 TYR A 28 4.144 7.595 5.575 1.00 3.34 H new ATOM 0 HD2 TYR A 28 2.569 6.619 9.405 1.00 24.45 H new ATOM 0 HE1 TYR A 28 5.703 5.709 5.731 1.00 4.42 H new ATOM 0 HE2 TYR A 28 4.131 4.733 9.572 1.00 60.10 H new ATOM 0 HH TYR A 28 5.742 3.576 8.624 1.00 73.53 H new ATOM 458 N ARG A 29 -0.568 7.630 7.981 1.00 22.21 N ATOM 459 CA ARG A 29 -1.556 6.863 8.673 1.00 45.45 C ATOM 460 C ARG A 29 -2.688 6.368 7.751 1.00 13.02 C ATOM 461 O ARG A 29 -3.028 5.185 7.751 1.00 74.43 O ATOM 462 CB ARG A 29 -2.194 7.708 9.723 1.00 75.30 C ATOM 463 CG ARG A 29 -3.163 6.915 10.509 1.00 4.02 C ATOM 464 CD ARG A 29 -4.200 7.775 11.129 1.00 64.01 C ATOM 465 NE ARG A 29 -5.259 6.960 11.747 1.00 51.13 N ATOM 466 CZ ARG A 29 -6.174 6.222 11.064 1.00 23.12 C ATOM 467 NH1 ARG A 29 -6.170 6.216 9.730 1.00 55.31 N ATOM 468 NH2 ARG A 29 -7.073 5.505 11.719 1.00 33.21 N ATOM 0 H ARG A 29 -0.427 8.558 8.379 1.00 22.21 H new ATOM 0 HA ARG A 29 -1.036 6.000 9.090 1.00 45.45 H new ATOM 0 HB2 ARG A 29 -1.429 8.117 10.383 1.00 75.30 H new ATOM 0 HB3 ARG A 29 -2.700 8.555 9.259 1.00 75.30 H new ATOM 0 HG2 ARG A 29 -3.640 6.178 9.862 1.00 4.02 H new ATOM 0 HG3 ARG A 29 -2.636 6.363 11.287 1.00 4.02 H new ATOM 0 HD2 ARG A 29 -3.743 8.416 11.883 1.00 64.01 H new ATOM 0 HD3 ARG A 29 -4.634 8.430 10.374 1.00 64.01 H new ATOM 0 HE ARG A 29 -5.310 6.948 12.766 1.00 51.13 H new ATOM 0 HH11 ARG A 29 -5.479 6.766 9.220 1.00 55.31 H new ATOM 0 HH12 ARG A 29 -6.858 5.661 9.220 1.00 55.31 H new ATOM 0 HH21 ARG A 29 -7.081 5.505 12.739 1.00 33.21 H new ATOM 0 HH22 ARG A 29 -7.758 4.952 11.204 1.00 33.21 H new ATOM 482 N SER A 30 -3.278 7.292 6.997 1.00 3.55 N ATOM 483 CA SER A 30 -4.421 6.999 6.139 1.00 2.01 C ATOM 484 C SER A 30 -4.086 5.922 5.125 1.00 53.01 C ATOM 485 O SER A 30 -4.936 5.128 4.745 1.00 34.23 O ATOM 486 CB SER A 30 -4.910 8.275 5.448 1.00 4.24 C ATOM 487 OG SER A 30 -5.252 9.267 6.415 1.00 14.35 O ATOM 0 H SER A 30 -2.976 8.266 6.964 1.00 3.55 H new ATOM 0 HA SER A 30 -5.228 6.617 6.765 1.00 2.01 H new ATOM 0 HB2 SER A 30 -4.134 8.657 4.785 1.00 4.24 H new ATOM 0 HB3 SER A 30 -5.777 8.050 4.827 1.00 4.24 H new ATOM 0 HG SER A 30 -4.489 9.867 6.552 1.00 14.35 H new ATOM 493 N PHE A 31 -2.864 5.910 4.675 1.00 65.23 N ATOM 494 CA PHE A 31 -2.423 4.881 3.798 1.00 22.55 C ATOM 495 C PHE A 31 -2.177 3.556 4.537 1.00 72.34 C ATOM 496 O PHE A 31 -2.512 2.478 4.029 1.00 72.32 O ATOM 497 CB PHE A 31 -1.217 5.332 2.995 1.00 61.21 C ATOM 498 CG PHE A 31 -0.464 4.187 2.411 1.00 51.11 C ATOM 499 CD1 PHE A 31 -0.910 3.568 1.262 1.00 22.13 C ATOM 500 CD2 PHE A 31 0.663 3.702 3.048 1.00 25.23 C ATOM 501 CE1 PHE A 31 -0.243 2.484 0.743 1.00 20.40 C ATOM 502 CE2 PHE A 31 1.341 2.615 2.545 1.00 43.50 C ATOM 503 CZ PHE A 31 0.889 1.999 1.384 1.00 71.13 C ATOM 0 H PHE A 31 -2.157 6.608 4.906 1.00 65.23 H new ATOM 0 HA PHE A 31 -3.227 4.683 3.089 1.00 22.55 H new ATOM 0 HB2 PHE A 31 -1.544 5.995 2.194 1.00 61.21 H new ATOM 0 HB3 PHE A 31 -0.553 5.911 3.636 1.00 61.21 H new ATOM 0 HD1 PHE A 31 -1.794 3.939 0.764 1.00 22.13 H new ATOM 0 HD2 PHE A 31 1.015 4.181 3.950 1.00 25.23 H new ATOM 0 HE1 PHE A 31 -0.598 2.011 -0.161 1.00 20.40 H new ATOM 0 HE2 PHE A 31 2.220 2.243 3.050 1.00 43.50 H new ATOM 0 HZ PHE A 31 1.416 1.146 0.982 1.00 71.13 H new ATOM 513 N LEU A 32 -1.599 3.642 5.727 1.00 41.32 N ATOM 514 CA LEU A 32 -1.278 2.480 6.540 1.00 64.35 C ATOM 515 C LEU A 32 -2.482 1.595 6.763 1.00 34.34 C ATOM 516 O LEU A 32 -2.377 0.363 6.704 1.00 2.24 O ATOM 517 CB LEU A 32 -0.730 2.916 7.885 1.00 14.21 C ATOM 518 CG LEU A 32 0.610 3.613 7.888 1.00 12.23 C ATOM 519 CD1 LEU A 32 0.994 3.921 9.306 1.00 61.34 C ATOM 520 CD2 LEU A 32 1.684 2.776 7.192 1.00 55.23 C ATOM 0 H LEU A 32 -1.338 4.529 6.158 1.00 41.32 H new ATOM 0 HA LEU A 32 -0.527 1.907 5.996 1.00 64.35 H new ATOM 0 HB2 LEU A 32 -1.459 3.582 8.348 1.00 14.21 H new ATOM 0 HB3 LEU A 32 -0.654 2.034 8.522 1.00 14.21 H new ATOM 0 HG LEU A 32 0.528 4.542 7.324 1.00 12.23 H new ATOM 0 HD11 LEU A 32 1.961 4.425 9.320 1.00 61.34 H new ATOM 0 HD12 LEU A 32 0.241 4.569 9.754 1.00 61.34 H new ATOM 0 HD13 LEU A 32 1.060 2.993 9.875 1.00 61.34 H new ATOM 0 HD21 LEU A 32 2.633 3.311 7.215 1.00 55.23 H new ATOM 0 HD22 LEU A 32 1.793 1.822 7.708 1.00 55.23 H new ATOM 0 HD23 LEU A 32 1.392 2.598 6.157 1.00 55.23 H new ATOM 532 N GLU A 33 -3.615 2.214 6.981 1.00 40.12 N ATOM 533 CA GLU A 33 -4.842 1.501 7.245 1.00 14.34 C ATOM 534 C GLU A 33 -5.262 0.663 6.021 1.00 73.24 C ATOM 535 O GLU A 33 -5.821 -0.415 6.159 1.00 43.41 O ATOM 536 CB GLU A 33 -5.940 2.487 7.651 1.00 74.41 C ATOM 537 CG GLU A 33 -6.565 3.281 6.509 1.00 43.13 C ATOM 538 CD GLU A 33 -7.685 4.168 6.974 1.00 64.32 C ATOM 539 OE1 GLU A 33 -7.428 5.176 7.650 1.00 62.52 O ATOM 540 OE2 GLU A 33 -8.853 3.885 6.646 1.00 44.25 O ATOM 0 H GLU A 33 -3.714 3.229 6.981 1.00 40.12 H new ATOM 0 HA GLU A 33 -4.680 0.810 8.072 1.00 14.34 H new ATOM 0 HB2 GLU A 33 -6.729 1.935 8.161 1.00 74.41 H new ATOM 0 HB3 GLU A 33 -5.524 3.189 8.374 1.00 74.41 H new ATOM 0 HG2 GLU A 33 -5.798 3.890 6.031 1.00 43.13 H new ATOM 0 HG3 GLU A 33 -6.941 2.591 5.754 1.00 43.13 H new ATOM 547 N ILE A 34 -4.912 1.153 4.839 1.00 10.21 N ATOM 548 CA ILE A 34 -5.242 0.541 3.583 1.00 52.32 C ATOM 549 C ILE A 34 -4.425 -0.718 3.397 1.00 72.44 C ATOM 550 O ILE A 34 -4.956 -1.762 3.080 1.00 32.24 O ATOM 551 CB ILE A 34 -4.930 1.537 2.436 1.00 43.11 C ATOM 552 CG1 ILE A 34 -5.750 2.811 2.616 1.00 62.42 C ATOM 553 CG2 ILE A 34 -5.149 0.922 1.058 1.00 21.44 C ATOM 554 CD1 ILE A 34 -5.385 3.911 1.658 1.00 62.44 C ATOM 0 H ILE A 34 -4.375 2.014 4.738 1.00 10.21 H new ATOM 0 HA ILE A 34 -6.301 0.284 3.570 1.00 52.32 H new ATOM 0 HB ILE A 34 -3.871 1.790 2.491 1.00 43.11 H new ATOM 0 HG12 ILE A 34 -6.806 2.572 2.494 1.00 62.42 H new ATOM 0 HG13 ILE A 34 -5.621 3.173 3.636 1.00 62.42 H new ATOM 0 HG21 ILE A 34 -4.917 1.659 0.289 1.00 21.44 H new ATOM 0 HG22 ILE A 34 -4.498 0.056 0.938 1.00 21.44 H new ATOM 0 HG23 ILE A 34 -6.189 0.610 0.960 1.00 21.44 H new ATOM 0 HD11 ILE A 34 -6.011 4.782 1.849 1.00 62.44 H new ATOM 0 HD12 ILE A 34 -4.338 4.180 1.795 1.00 62.44 H new ATOM 0 HD13 ILE A 34 -5.541 3.569 0.635 1.00 62.44 H new ATOM 566 N LEU A 35 -3.137 -0.618 3.626 1.00 1.00 N ATOM 567 CA LEU A 35 -2.250 -1.732 3.431 1.00 20.35 C ATOM 568 C LEU A 35 -2.478 -2.796 4.517 1.00 10.35 C ATOM 569 O LEU A 35 -2.420 -4.002 4.244 1.00 62.40 O ATOM 570 CB LEU A 35 -0.817 -1.217 3.435 1.00 64.21 C ATOM 571 CG LEU A 35 0.177 -1.892 2.484 1.00 13.34 C ATOM 572 CD1 LEU A 35 0.456 -3.341 2.857 1.00 33.42 C ATOM 573 CD2 LEU A 35 -0.318 -1.806 1.049 1.00 10.34 C ATOM 0 H LEU A 35 -2.680 0.234 3.951 1.00 1.00 H new ATOM 0 HA LEU A 35 -2.449 -2.210 2.472 1.00 20.35 H new ATOM 0 HB2 LEU A 35 -0.841 -0.153 3.198 1.00 64.21 H new ATOM 0 HB3 LEU A 35 -0.429 -1.309 4.449 1.00 64.21 H new ATOM 0 HG LEU A 35 1.118 -1.351 2.577 1.00 13.34 H new ATOM 0 HD11 LEU A 35 1.166 -3.769 2.149 1.00 33.42 H new ATOM 0 HD12 LEU A 35 0.875 -3.384 3.862 1.00 33.42 H new ATOM 0 HD13 LEU A 35 -0.473 -3.910 2.827 1.00 33.42 H new ATOM 0 HD21 LEU A 35 0.400 -2.290 0.387 1.00 10.34 H new ATOM 0 HD22 LEU A 35 -1.283 -2.306 0.966 1.00 10.34 H new ATOM 0 HD23 LEU A 35 -0.426 -0.760 0.764 1.00 10.34 H new ATOM 585 N HIS A 36 -2.789 -2.347 5.720 1.00 60.15 N ATOM 586 CA HIS A 36 -3.036 -3.262 6.823 1.00 3.04 C ATOM 587 C HIS A 36 -4.347 -4.017 6.571 1.00 15.44 C ATOM 588 O HIS A 36 -4.399 -5.247 6.675 1.00 0.54 O ATOM 589 CB HIS A 36 -3.090 -2.498 8.160 1.00 31.41 C ATOM 590 CG HIS A 36 -3.077 -3.376 9.385 1.00 75.04 C ATOM 591 ND1 HIS A 36 -4.179 -3.634 10.168 1.00 43.23 N ATOM 592 CD2 HIS A 36 -2.046 -4.032 9.970 1.00 53.13 C ATOM 593 CE1 HIS A 36 -3.797 -4.415 11.180 1.00 3.32 C ATOM 594 NE2 HIS A 36 -2.508 -4.688 11.106 1.00 41.33 N ATOM 0 H HIS A 36 -2.877 -1.359 5.959 1.00 60.15 H new ATOM 0 HA HIS A 36 -2.219 -3.980 6.886 1.00 3.04 H new ATOM 0 HB2 HIS A 36 -2.241 -1.816 8.209 1.00 31.41 H new ATOM 0 HB3 HIS A 36 -3.992 -1.886 8.177 1.00 31.41 H new ATOM 0 HD2 HIS A 36 -1.027 -4.044 9.611 1.00 53.13 H new ATOM 0 HE1 HIS A 36 -4.455 -4.776 11.957 1.00 3.32 H new ATOM 0 HE2 HIS A 36 -1.963 -5.262 11.749 1.00 41.33 H new ATOM 602 N THR A 37 -5.381 -3.277 6.163 1.00 24.11 N ATOM 603 CA THR A 37 -6.678 -3.864 5.898 1.00 63.34 C ATOM 604 C THR A 37 -6.575 -4.777 4.675 1.00 22.40 C ATOM 605 O THR A 37 -7.274 -5.784 4.571 1.00 30.45 O ATOM 606 CB THR A 37 -7.764 -2.747 5.678 1.00 53.02 C ATOM 607 OG1 THR A 37 -9.077 -3.212 6.020 1.00 24.31 O ATOM 608 CG2 THR A 37 -7.809 -2.242 4.242 1.00 3.24 C ATOM 0 H THR A 37 -5.336 -2.269 6.012 1.00 24.11 H new ATOM 0 HA THR A 37 -6.989 -4.455 6.760 1.00 63.34 H new ATOM 0 HB THR A 37 -7.468 -1.929 6.335 1.00 53.02 H new ATOM 0 HG1 THR A 37 -9.727 -2.493 5.873 1.00 24.31 H new ATOM 0 HG21 THR A 37 -8.576 -1.473 4.151 1.00 3.24 H new ATOM 0 HG22 THR A 37 -6.840 -1.821 3.974 1.00 3.24 H new ATOM 0 HG23 THR A 37 -8.043 -3.070 3.572 1.00 3.24 H new ATOM 616 N TYR A 38 -5.657 -4.431 3.777 1.00 42.10 N ATOM 617 CA TYR A 38 -5.451 -5.176 2.579 1.00 40.32 C ATOM 618 C TYR A 38 -4.989 -6.573 2.935 1.00 65.45 C ATOM 619 O TYR A 38 -5.638 -7.542 2.590 1.00 33.24 O ATOM 620 CB TYR A 38 -4.398 -4.481 1.685 1.00 4.12 C ATOM 621 CG TYR A 38 -4.240 -5.113 0.336 1.00 40.12 C ATOM 622 CD1 TYR A 38 -5.056 -4.723 -0.686 1.00 33.01 C ATOM 623 CD2 TYR A 38 -3.292 -6.104 0.092 1.00 33.42 C ATOM 624 CE1 TYR A 38 -4.965 -5.298 -1.943 1.00 0.43 C ATOM 625 CE2 TYR A 38 -3.180 -6.689 -1.161 1.00 73.02 C ATOM 626 CZ TYR A 38 -4.025 -6.284 -2.176 1.00 74.32 C ATOM 627 OH TYR A 38 -3.953 -6.888 -3.421 1.00 74.13 O ATOM 0 H TYR A 38 -5.044 -3.622 3.877 1.00 42.10 H new ATOM 0 HA TYR A 38 -6.388 -5.231 2.025 1.00 40.32 H new ATOM 0 HB2 TYR A 38 -4.678 -3.435 1.556 1.00 4.12 H new ATOM 0 HB3 TYR A 38 -3.436 -4.493 2.197 1.00 4.12 H new ATOM 0 HD1 TYR A 38 -5.789 -3.949 -0.511 1.00 33.01 H new ATOM 0 HD2 TYR A 38 -2.635 -6.421 0.889 1.00 33.42 H new ATOM 0 HE1 TYR A 38 -5.625 -4.978 -2.736 1.00 0.43 H new ATOM 0 HE2 TYR A 38 -2.439 -7.454 -1.341 1.00 73.02 H new ATOM 0 HH TYR A 38 -3.238 -7.559 -3.418 1.00 74.13 H new ATOM 637 N GLN A 39 -3.941 -6.656 3.733 1.00 50.11 N ATOM 638 CA GLN A 39 -3.348 -7.942 4.074 1.00 64.42 C ATOM 639 C GLN A 39 -4.290 -8.812 4.906 1.00 71.44 C ATOM 640 O GLN A 39 -4.283 -10.034 4.786 1.00 65.11 O ATOM 641 CB GLN A 39 -1.991 -7.763 4.755 1.00 71.12 C ATOM 642 CG GLN A 39 -0.969 -7.052 3.875 1.00 73.01 C ATOM 643 CD GLN A 39 0.385 -6.914 4.534 1.00 32.12 C ATOM 644 OE1 GLN A 39 1.256 -7.777 4.393 1.00 34.51 O ATOM 645 NE2 GLN A 39 0.579 -5.847 5.242 1.00 23.31 N ATOM 0 H GLN A 39 -3.481 -5.851 4.158 1.00 50.11 H new ATOM 0 HA GLN A 39 -3.180 -8.475 3.138 1.00 64.42 H new ATOM 0 HB2 GLN A 39 -2.125 -7.196 5.676 1.00 71.12 H new ATOM 0 HB3 GLN A 39 -1.601 -8.741 5.037 1.00 71.12 H new ATOM 0 HG2 GLN A 39 -0.858 -7.602 2.940 1.00 73.01 H new ATOM 0 HG3 GLN A 39 -1.345 -6.061 3.619 1.00 73.01 H new ATOM 0 HE21 GLN A 39 -0.165 -5.155 5.336 1.00 23.31 H new ATOM 0 HE22 GLN A 39 1.475 -5.699 5.706 1.00 23.31 H new ATOM 904 N GLU A 55 -8.282 -4.994 -5.169 1.00 41.12 N ATOM 905 CA GLU A 55 -7.145 -4.306 -5.730 1.00 33.11 C ATOM 906 C GLU A 55 -7.480 -2.908 -6.258 1.00 12.34 C ATOM 907 O GLU A 55 -6.803 -1.944 -5.924 1.00 43.44 O ATOM 908 CB GLU A 55 -6.639 -5.165 -6.859 1.00 63.43 C ATOM 909 CG GLU A 55 -5.393 -4.676 -7.508 1.00 71.04 C ATOM 910 CD GLU A 55 -5.052 -5.486 -8.722 1.00 1.51 C ATOM 911 OE1 GLU A 55 -4.386 -6.518 -8.595 1.00 63.33 O ATOM 912 OE2 GLU A 55 -5.506 -5.121 -9.831 1.00 55.24 O ATOM 0 HA GLU A 55 -6.401 -4.157 -4.948 1.00 33.11 H new ATOM 0 HB2 GLU A 55 -6.463 -6.172 -6.480 1.00 63.43 H new ATOM 0 HB3 GLU A 55 -7.420 -5.242 -7.616 1.00 63.43 H new ATOM 0 HG2 GLU A 55 -5.514 -3.630 -7.790 1.00 71.04 H new ATOM 0 HG3 GLU A 55 -4.569 -4.721 -6.796 1.00 71.04 H new ATOM 919 N GLU A 56 -8.534 -2.802 -7.032 1.00 61.24 N ATOM 920 CA GLU A 56 -8.894 -1.546 -7.642 1.00 35.02 C ATOM 921 C GLU A 56 -9.379 -0.531 -6.611 1.00 1.50 C ATOM 922 O GLU A 56 -8.958 0.632 -6.636 1.00 42.42 O ATOM 923 CB GLU A 56 -9.927 -1.776 -8.715 1.00 41.13 C ATOM 924 CG GLU A 56 -10.311 -0.546 -9.491 1.00 55.33 C ATOM 925 CD GLU A 56 -11.245 -0.875 -10.607 1.00 11.02 C ATOM 926 OE1 GLU A 56 -10.770 -1.274 -11.699 1.00 31.21 O ATOM 927 OE2 GLU A 56 -12.467 -0.787 -10.420 1.00 41.52 O ATOM 0 H GLU A 56 -9.160 -3.576 -7.255 1.00 61.24 H new ATOM 0 HA GLU A 56 -8.001 -1.121 -8.100 1.00 35.02 H new ATOM 0 HB2 GLU A 56 -9.548 -2.525 -9.411 1.00 41.13 H new ATOM 0 HB3 GLU A 56 -10.823 -2.193 -8.255 1.00 41.13 H new ATOM 0 HG2 GLU A 56 -10.781 0.176 -8.823 1.00 55.33 H new ATOM 0 HG3 GLU A 56 -9.415 -0.073 -9.892 1.00 55.33 H new ATOM 934 N GLU A 57 -10.205 -0.973 -5.670 1.00 53.21 N ATOM 935 CA GLU A 57 -10.741 -0.078 -4.664 1.00 34.33 C ATOM 936 C GLU A 57 -9.618 0.301 -3.689 1.00 22.45 C ATOM 937 O GLU A 57 -9.595 1.398 -3.121 1.00 61.41 O ATOM 938 CB GLU A 57 -11.937 -0.724 -3.960 1.00 42.34 C ATOM 939 CG GLU A 57 -11.579 -1.616 -2.830 1.00 24.14 C ATOM 940 CD GLU A 57 -12.749 -2.362 -2.278 1.00 50.02 C ATOM 941 OE1 GLU A 57 -13.469 -1.821 -1.425 1.00 62.40 O ATOM 942 OE2 GLU A 57 -12.968 -3.524 -2.675 1.00 55.10 O ATOM 0 H GLU A 57 -10.514 -1.941 -5.587 1.00 53.21 H new ATOM 0 HA GLU A 57 -11.111 0.837 -5.127 1.00 34.33 H new ATOM 0 HB2 GLU A 57 -12.593 0.064 -3.590 1.00 42.34 H new ATOM 0 HB3 GLU A 57 -12.507 -1.297 -4.692 1.00 42.34 H new ATOM 0 HG2 GLU A 57 -10.825 -2.330 -3.163 1.00 24.14 H new ATOM 0 HG3 GLU A 57 -11.127 -1.022 -2.036 1.00 24.14 H new ATOM 949 N VAL A 58 -8.669 -0.613 -3.555 1.00 2.53 N ATOM 950 CA VAL A 58 -7.486 -0.430 -2.781 1.00 3.42 C ATOM 951 C VAL A 58 -6.623 0.652 -3.417 1.00 30.42 C ATOM 952 O VAL A 58 -6.299 1.662 -2.779 1.00 75.13 O ATOM 953 CB VAL A 58 -6.714 -1.778 -2.706 1.00 22.35 C ATOM 954 CG1 VAL A 58 -5.285 -1.614 -2.274 1.00 2.12 C ATOM 955 CG2 VAL A 58 -7.414 -2.714 -1.762 1.00 1.41 C ATOM 0 H VAL A 58 -8.718 -1.528 -4.004 1.00 2.53 H new ATOM 0 HA VAL A 58 -7.744 -0.114 -1.770 1.00 3.42 H new ATOM 0 HB VAL A 58 -6.701 -2.189 -3.716 1.00 22.35 H new ATOM 0 HG11 VAL A 58 -4.801 -2.590 -2.241 1.00 2.12 H new ATOM 0 HG12 VAL A 58 -4.762 -0.973 -2.983 1.00 2.12 H new ATOM 0 HG13 VAL A 58 -5.254 -1.160 -1.283 1.00 2.12 H new ATOM 0 HG21 VAL A 58 -6.869 -3.657 -1.713 1.00 1.41 H new ATOM 0 HG22 VAL A 58 -7.454 -2.266 -0.769 1.00 1.41 H new ATOM 0 HG23 VAL A 58 -8.428 -2.899 -2.118 1.00 1.41 H new ATOM 965 N PHE A 59 -6.327 0.461 -4.699 1.00 50.21 N ATOM 966 CA PHE A 59 -5.489 1.361 -5.459 1.00 43.32 C ATOM 967 C PHE A 59 -6.084 2.754 -5.503 1.00 12.34 C ATOM 968 O PHE A 59 -5.351 3.720 -5.489 1.00 44.20 O ATOM 969 CB PHE A 59 -5.243 0.824 -6.881 1.00 2.23 C ATOM 970 CG PHE A 59 -4.289 1.664 -7.691 1.00 41.13 C ATOM 971 CD1 PHE A 59 -2.926 1.580 -7.476 1.00 52.53 C ATOM 972 CD2 PHE A 59 -4.754 2.545 -8.651 1.00 21.42 C ATOM 973 CE1 PHE A 59 -2.042 2.354 -8.201 1.00 12.33 C ATOM 974 CE2 PHE A 59 -3.878 3.325 -9.380 1.00 10.10 C ATOM 975 CZ PHE A 59 -2.521 3.229 -9.154 1.00 20.05 C ATOM 0 H PHE A 59 -6.670 -0.334 -5.238 1.00 50.21 H new ATOM 0 HA PHE A 59 -4.526 1.423 -4.953 1.00 43.32 H new ATOM 0 HB2 PHE A 59 -4.852 -0.191 -6.813 1.00 2.23 H new ATOM 0 HB3 PHE A 59 -6.196 0.764 -7.407 1.00 2.23 H new ATOM 0 HD1 PHE A 59 -2.547 0.898 -6.729 1.00 52.53 H new ATOM 0 HD2 PHE A 59 -5.816 2.624 -8.833 1.00 21.42 H new ATOM 0 HE1 PHE A 59 -0.980 2.275 -8.023 1.00 12.33 H new ATOM 0 HE2 PHE A 59 -4.255 4.009 -10.126 1.00 10.10 H new ATOM 0 HZ PHE A 59 -1.834 3.838 -9.722 1.00 20.05 H new ATOM 985 N THR A 60 -7.413 2.843 -5.506 1.00 11.40 N ATOM 986 CA THR A 60 -8.107 4.065 -5.516 1.00 75.43 C ATOM 987 C THR A 60 -7.677 4.957 -4.339 1.00 33.42 C ATOM 988 O THR A 60 -7.262 6.095 -4.539 1.00 74.31 O ATOM 989 CB THR A 60 -9.602 3.766 -5.432 1.00 43.11 C ATOM 990 OG1 THR A 60 -10.042 3.063 -6.611 1.00 3.03 O ATOM 991 CG2 THR A 60 -10.369 5.018 -5.260 1.00 73.42 C ATOM 0 H THR A 60 -8.025 2.027 -5.501 1.00 11.40 H new ATOM 0 HA THR A 60 -7.878 4.604 -6.435 1.00 75.43 H new ATOM 0 HB THR A 60 -9.780 3.130 -4.565 1.00 43.11 H new ATOM 0 HG1 THR A 60 -9.892 2.102 -6.494 1.00 3.03 H new ATOM 0 HG21 THR A 60 -11.433 4.788 -5.202 1.00 73.42 H new ATOM 0 HG22 THR A 60 -10.054 5.514 -4.342 1.00 73.42 H new ATOM 0 HG23 THR A 60 -10.186 5.676 -6.109 1.00 73.42 H new ATOM 999 N GLU A 61 -7.690 4.406 -3.135 1.00 2.01 N ATOM 1000 CA GLU A 61 -7.376 5.176 -1.961 1.00 12.24 C ATOM 1001 C GLU A 61 -5.897 5.491 -1.890 1.00 31.14 C ATOM 1002 O GLU A 61 -5.503 6.519 -1.376 1.00 5.33 O ATOM 1003 CB GLU A 61 -7.832 4.438 -0.726 1.00 41.31 C ATOM 1004 CG GLU A 61 -9.313 4.526 -0.516 1.00 45.32 C ATOM 1005 CD GLU A 61 -9.723 5.918 -0.124 1.00 54.12 C ATOM 1006 OE1 GLU A 61 -9.957 6.757 -1.008 1.00 73.45 O ATOM 1007 OE2 GLU A 61 -9.798 6.206 1.095 1.00 4.30 O ATOM 0 H GLU A 61 -7.916 3.428 -2.954 1.00 2.01 H new ATOM 0 HA GLU A 61 -7.907 6.126 -2.018 1.00 12.24 H new ATOM 0 HB2 GLU A 61 -7.542 3.390 -0.805 1.00 41.31 H new ATOM 0 HB3 GLU A 61 -7.320 4.845 0.146 1.00 41.31 H new ATOM 0 HG2 GLU A 61 -9.831 4.235 -1.430 1.00 45.32 H new ATOM 0 HG3 GLU A 61 -9.616 3.823 0.260 1.00 45.32 H new ATOM 1014 N VAL A 62 -5.090 4.606 -2.424 1.00 40.15 N ATOM 1015 CA VAL A 62 -3.652 4.802 -2.457 1.00 33.13 C ATOM 1016 C VAL A 62 -3.287 5.889 -3.483 1.00 73.04 C ATOM 1017 O VAL A 62 -2.481 6.779 -3.203 1.00 51.24 O ATOM 1018 CB VAL A 62 -2.925 3.478 -2.777 1.00 2.02 C ATOM 1019 CG1 VAL A 62 -1.424 3.646 -2.717 1.00 43.53 C ATOM 1020 CG2 VAL A 62 -3.360 2.407 -1.806 1.00 41.42 C ATOM 0 H VAL A 62 -5.405 3.733 -2.847 1.00 40.15 H new ATOM 0 HA VAL A 62 -3.325 5.133 -1.471 1.00 33.13 H new ATOM 0 HB VAL A 62 -3.192 3.182 -3.792 1.00 2.02 H new ATOM 0 HG11 VAL A 62 -0.942 2.696 -2.947 1.00 43.53 H new ATOM 0 HG12 VAL A 62 -1.113 4.396 -3.444 1.00 43.53 H new ATOM 0 HG13 VAL A 62 -1.134 3.967 -1.717 1.00 43.53 H new ATOM 0 HG21 VAL A 62 -2.844 1.475 -2.037 1.00 41.42 H new ATOM 0 HG22 VAL A 62 -3.115 2.716 -0.790 1.00 41.42 H new ATOM 0 HG23 VAL A 62 -4.436 2.256 -1.889 1.00 41.42 H new ATOM 1030 N ALA A 63 -3.927 5.838 -4.643 1.00 23.22 N ATOM 1031 CA ALA A 63 -3.730 6.829 -5.702 1.00 5.13 C ATOM 1032 C ALA A 63 -4.252 8.179 -5.254 1.00 41.03 C ATOM 1033 O ALA A 63 -3.718 9.218 -5.617 1.00 14.12 O ATOM 1034 CB ALA A 63 -4.421 6.385 -6.983 1.00 31.15 C ATOM 0 H ALA A 63 -4.599 5.109 -4.881 1.00 23.22 H new ATOM 0 HA ALA A 63 -2.663 6.918 -5.905 1.00 5.13 H new ATOM 0 HB1 ALA A 63 -4.264 7.134 -7.759 1.00 31.15 H new ATOM 0 HB2 ALA A 63 -4.005 5.432 -7.309 1.00 31.15 H new ATOM 0 HB3 ALA A 63 -5.489 6.271 -6.799 1.00 31.15 H new ATOM 1040 N ASN A 64 -5.301 8.137 -4.471 1.00 24.42 N ATOM 1041 CA ASN A 64 -5.907 9.304 -3.845 1.00 65.23 C ATOM 1042 C ASN A 64 -5.021 9.835 -2.720 1.00 32.04 C ATOM 1043 O ASN A 64 -4.961 11.037 -2.476 1.00 25.32 O ATOM 1044 CB ASN A 64 -7.290 8.908 -3.336 1.00 61.52 C ATOM 1045 CG ASN A 64 -7.931 9.822 -2.301 1.00 62.12 C ATOM 1046 OD1 ASN A 64 -7.741 11.043 -2.291 1.00 61.44 O ATOM 1047 ND2 ASN A 64 -8.699 9.226 -1.422 1.00 72.20 N ATOM 0 H ASN A 64 -5.778 7.266 -4.239 1.00 24.42 H new ATOM 0 HA ASN A 64 -6.009 10.111 -4.570 1.00 65.23 H new ATOM 0 HB2 ASN A 64 -7.961 8.843 -4.193 1.00 61.52 H new ATOM 0 HB3 ASN A 64 -7.221 7.908 -2.909 1.00 61.52 H new ATOM 0 HD21 ASN A 64 -9.164 9.773 -0.697 1.00 72.20 H new ATOM 0 HD22 ASN A 64 -8.832 8.215 -1.463 1.00 72.20 H new ATOM 1054 N LEU A 65 -4.321 8.958 -2.063 1.00 11.24 N ATOM 1055 CA LEU A 65 -3.438 9.363 -1.012 1.00 24.13 C ATOM 1056 C LEU A 65 -2.252 10.106 -1.629 1.00 70.34 C ATOM 1057 O LEU A 65 -1.994 11.277 -1.336 1.00 53.43 O ATOM 1058 CB LEU A 65 -2.890 8.141 -0.270 1.00 13.42 C ATOM 1059 CG LEU A 65 -2.778 8.258 1.251 1.00 53.34 C ATOM 1060 CD1 LEU A 65 -2.806 9.678 1.712 1.00 22.22 C ATOM 1061 CD2 LEU A 65 -3.862 7.508 1.918 1.00 50.43 C ATOM 0 H LEU A 65 -4.345 7.953 -2.238 1.00 11.24 H new ATOM 0 HA LEU A 65 -3.988 9.997 -0.316 1.00 24.13 H new ATOM 0 HB2 LEU A 65 -3.528 7.288 -0.500 1.00 13.42 H new ATOM 0 HB3 LEU A 65 -1.901 7.916 -0.668 1.00 13.42 H new ATOM 0 HG LEU A 65 -1.814 7.830 1.524 1.00 53.34 H new ATOM 0 HD11 LEU A 65 -2.724 9.710 2.798 1.00 22.22 H new ATOM 0 HD12 LEU A 65 -1.971 10.221 1.269 1.00 22.22 H new ATOM 0 HD13 LEU A 65 -3.744 10.142 1.406 1.00 22.22 H new ATOM 0 HD21 LEU A 65 -3.761 7.606 2.999 1.00 50.43 H new ATOM 0 HD22 LEU A 65 -4.827 7.908 1.606 1.00 50.43 H new ATOM 0 HD23 LEU A 65 -3.799 6.455 1.642 1.00 50.43 H new ATOM 1073 N PHE A 66 -1.592 9.432 -2.538 1.00 1.54 N ATOM 1074 CA PHE A 66 -0.368 9.916 -3.131 1.00 3.01 C ATOM 1075 C PHE A 66 -0.632 10.540 -4.494 1.00 41.20 C ATOM 1076 O PHE A 66 0.158 10.349 -5.426 1.00 61.10 O ATOM 1077 CB PHE A 66 0.612 8.747 -3.291 1.00 75.30 C ATOM 1078 CG PHE A 66 0.807 7.930 -2.043 1.00 64.31 C ATOM 1079 CD1 PHE A 66 1.056 8.540 -0.828 1.00 61.32 C ATOM 1080 CD2 PHE A 66 0.745 6.552 -2.090 1.00 44.23 C ATOM 1081 CE1 PHE A 66 1.231 7.797 0.312 1.00 42.02 C ATOM 1082 CE2 PHE A 66 0.923 5.803 -0.951 1.00 65.53 C ATOM 1083 CZ PHE A 66 1.165 6.427 0.250 1.00 3.13 C ATOM 0 H PHE A 66 -1.891 8.523 -2.891 1.00 1.54 H new ATOM 0 HA PHE A 66 0.056 10.679 -2.478 1.00 3.01 H new ATOM 0 HB2 PHE A 66 0.254 8.094 -4.087 1.00 75.30 H new ATOM 0 HB3 PHE A 66 1.578 9.138 -3.610 1.00 75.30 H new ATOM 0 HD1 PHE A 66 1.114 9.617 -0.775 1.00 61.32 H new ATOM 0 HD2 PHE A 66 0.555 6.057 -3.031 1.00 44.23 H new ATOM 0 HE1 PHE A 66 1.420 8.288 1.255 1.00 42.02 H new ATOM 0 HE2 PHE A 66 0.873 4.725 -1.000 1.00 65.53 H new ATOM 0 HZ PHE A 66 1.303 5.839 1.145 1.00 3.13 H new ATOM 1093 N ARG A 67 -1.716 11.312 -4.606 1.00 21.33 N ATOM 1094 CA ARG A 67 -2.064 11.963 -5.877 1.00 2.51 C ATOM 1095 C ARG A 67 -0.919 12.885 -6.300 1.00 24.32 C ATOM 1096 O ARG A 67 -0.671 13.915 -5.651 1.00 23.44 O ATOM 1097 CB ARG A 67 -3.346 12.817 -5.785 1.00 60.43 C ATOM 1098 CG ARG A 67 -4.567 12.155 -5.232 1.00 62.21 C ATOM 1099 CD ARG A 67 -5.741 13.119 -5.252 1.00 64.54 C ATOM 1100 NE ARG A 67 -6.965 12.556 -4.672 1.00 12.35 N ATOM 1101 CZ ARG A 67 -8.118 12.378 -5.331 1.00 12.24 C ATOM 1102 NH1 ARG A 67 -8.154 12.485 -6.661 1.00 20.31 N ATOM 1103 NH2 ARG A 67 -9.215 12.060 -4.668 1.00 22.11 N ATOM 0 H ARG A 67 -2.364 11.502 -3.841 1.00 21.33 H new ATOM 0 HA ARG A 67 -2.237 11.166 -6.601 1.00 2.51 H new ATOM 0 HB2 ARG A 67 -3.127 13.690 -5.171 1.00 60.43 H new ATOM 0 HB3 ARG A 67 -3.582 13.181 -6.785 1.00 60.43 H new ATOM 0 HG2 ARG A 67 -4.806 11.268 -5.818 1.00 62.21 H new ATOM 0 HG3 ARG A 67 -4.378 11.821 -4.212 1.00 62.21 H new ATOM 0 HD2 ARG A 67 -5.470 14.022 -4.705 1.00 64.54 H new ATOM 0 HD3 ARG A 67 -5.939 13.418 -6.281 1.00 64.54 H new ATOM 0 HE ARG A 67 -6.936 12.278 -3.691 1.00 12.35 H new ATOM 0 HH11 ARG A 67 -7.302 12.703 -7.178 1.00 20.31 H new ATOM 0 HH12 ARG A 67 -9.033 12.349 -7.160 1.00 20.31 H new ATOM 0 HH21 ARG A 67 -9.184 11.950 -3.654 1.00 22.11 H new ATOM 0 HH22 ARG A 67 -10.093 11.924 -5.170 1.00 22.11 H new ATOM 1117 N GLY A 68 -0.209 12.501 -7.328 1.00 2.42 N ATOM 1118 CA GLY A 68 0.901 13.284 -7.800 1.00 10.01 C ATOM 1119 C GLY A 68 2.180 12.490 -7.786 1.00 13.25 C ATOM 1120 O GLY A 68 3.010 12.612 -8.686 1.00 31.43 O ATOM 0 H GLY A 68 -0.381 11.646 -7.857 1.00 2.42 H new ATOM 0 HA2 GLY A 68 0.698 13.632 -8.813 1.00 10.01 H new ATOM 0 HA3 GLY A 68 1.014 14.170 -7.176 1.00 10.01 H new ATOM 1124 N GLN A 69 2.335 11.654 -6.781 1.00 0.33 N ATOM 1125 CA GLN A 69 3.508 10.832 -6.635 1.00 75.30 C ATOM 1126 C GLN A 69 3.380 9.573 -7.472 1.00 40.41 C ATOM 1127 O GLN A 69 3.097 8.493 -6.955 1.00 41.21 O ATOM 1128 CB GLN A 69 3.685 10.457 -5.184 1.00 55.53 C ATOM 1129 CG GLN A 69 3.909 11.624 -4.259 1.00 3.41 C ATOM 1130 CD GLN A 69 5.238 12.261 -4.457 1.00 42.23 C ATOM 1131 OE1 GLN A 69 6.228 11.842 -3.868 1.00 44.02 O ATOM 1132 NE2 GLN A 69 5.270 13.284 -5.220 1.00 74.34 N ATOM 0 H GLN A 69 1.645 11.528 -6.041 1.00 0.33 H new ATOM 0 HA GLN A 69 4.376 11.395 -6.977 1.00 75.30 H new ATOM 0 HB2 GLN A 69 2.801 9.912 -4.853 1.00 55.53 H new ATOM 0 HB3 GLN A 69 4.531 9.775 -5.099 1.00 55.53 H new ATOM 0 HG2 GLN A 69 3.127 12.366 -4.419 1.00 3.41 H new ATOM 0 HG3 GLN A 69 3.822 11.287 -3.226 1.00 3.41 H new ATOM 0 HE21 GLN A 69 4.420 13.596 -5.690 1.00 74.34 H new ATOM 0 HE22 GLN A 69 6.145 13.789 -5.360 1.00 74.34 H new ATOM 1141 N GLU A 70 3.584 9.716 -8.757 1.00 23.41 N ATOM 1142 CA GLU A 70 3.439 8.621 -9.687 1.00 22.40 C ATOM 1143 C GLU A 70 4.459 7.533 -9.450 1.00 12.22 C ATOM 1144 O GLU A 70 4.195 6.373 -9.744 1.00 2.14 O ATOM 1145 CB GLU A 70 3.479 9.106 -11.118 1.00 30.01 C ATOM 1146 CG GLU A 70 2.351 10.050 -11.447 1.00 12.32 C ATOM 1147 CD GLU A 70 2.325 10.420 -12.891 1.00 64.24 C ATOM 1148 OE1 GLU A 70 1.712 9.673 -13.694 1.00 32.33 O ATOM 1149 OE2 GLU A 70 2.886 11.464 -13.256 1.00 64.33 O ATOM 0 H GLU A 70 3.856 10.598 -9.191 1.00 23.41 H new ATOM 0 HA GLU A 70 2.457 8.182 -9.509 1.00 22.40 H new ATOM 0 HB2 GLU A 70 4.430 9.606 -11.301 1.00 30.01 H new ATOM 0 HB3 GLU A 70 3.436 8.248 -11.789 1.00 30.01 H new ATOM 0 HG2 GLU A 70 1.402 9.587 -11.176 1.00 12.32 H new ATOM 0 HG3 GLU A 70 2.449 10.953 -10.845 1.00 12.32 H new ATOM 1156 N ASP A 71 5.607 7.911 -8.897 1.00 74.22 N ATOM 1157 CA ASP A 71 6.652 6.953 -8.520 1.00 20.34 C ATOM 1158 C ASP A 71 6.097 5.929 -7.580 1.00 13.23 C ATOM 1159 O ASP A 71 6.134 4.734 -7.855 1.00 44.43 O ATOM 1160 CB ASP A 71 7.846 7.625 -7.849 1.00 61.54 C ATOM 1161 CG ASP A 71 8.741 8.412 -8.771 1.00 32.30 C ATOM 1162 OD1 ASP A 71 9.555 7.807 -9.481 1.00 25.45 O ATOM 1163 OD2 ASP A 71 8.664 9.672 -8.781 1.00 2.53 O ATOM 0 H ASP A 71 5.843 8.883 -8.697 1.00 74.22 H new ATOM 0 HA ASP A 71 6.994 6.487 -9.444 1.00 20.34 H new ATOM 0 HB2 ASP A 71 7.477 8.292 -7.070 1.00 61.54 H new ATOM 0 HB3 ASP A 71 8.444 6.859 -7.355 1.00 61.54 H new ATOM 1168 N LEU A 72 5.500 6.420 -6.512 1.00 73.32 N ATOM 1169 CA LEU A 72 4.929 5.583 -5.482 1.00 64.30 C ATOM 1170 C LEU A 72 3.795 4.745 -6.042 1.00 14.31 C ATOM 1171 O LEU A 72 3.689 3.566 -5.753 1.00 11.23 O ATOM 1172 CB LEU A 72 4.414 6.443 -4.316 1.00 20.52 C ATOM 1173 CG LEU A 72 5.453 7.317 -3.601 1.00 5.34 C ATOM 1174 CD1 LEU A 72 4.798 8.117 -2.490 1.00 33.41 C ATOM 1175 CD2 LEU A 72 6.587 6.473 -3.041 1.00 22.12 C ATOM 0 H LEU A 72 5.398 7.419 -6.336 1.00 73.32 H new ATOM 0 HA LEU A 72 5.710 4.917 -5.114 1.00 64.30 H new ATOM 0 HB2 LEU A 72 3.624 7.092 -4.693 1.00 20.52 H new ATOM 0 HB3 LEU A 72 3.959 5.782 -3.579 1.00 20.52 H new ATOM 0 HG LEU A 72 5.872 8.007 -4.333 1.00 5.34 H new ATOM 0 HD11 LEU A 72 5.549 8.732 -1.993 1.00 33.41 H new ATOM 0 HD12 LEU A 72 4.024 8.759 -2.911 1.00 33.41 H new ATOM 0 HD13 LEU A 72 4.350 7.436 -1.767 1.00 33.41 H new ATOM 0 HD21 LEU A 72 7.308 7.119 -2.540 1.00 22.12 H new ATOM 0 HD22 LEU A 72 6.187 5.753 -2.327 1.00 22.12 H new ATOM 0 HD23 LEU A 72 7.080 5.941 -3.854 1.00 22.12 H new ATOM 1187 N LEU A 73 3.011 5.343 -6.915 1.00 32.13 N ATOM 1188 CA LEU A 73 1.832 4.684 -7.466 1.00 45.34 C ATOM 1189 C LEU A 73 2.249 3.558 -8.403 1.00 3.04 C ATOM 1190 O LEU A 73 1.631 2.485 -8.436 1.00 23.04 O ATOM 1191 CB LEU A 73 0.940 5.704 -8.191 1.00 73.23 C ATOM 1192 CG LEU A 73 0.483 6.908 -7.348 1.00 22.32 C ATOM 1193 CD1 LEU A 73 -0.391 7.849 -8.143 1.00 51.20 C ATOM 1194 CD2 LEU A 73 -0.231 6.469 -6.088 1.00 75.22 C ATOM 0 H LEU A 73 3.165 6.289 -7.263 1.00 32.13 H new ATOM 0 HA LEU A 73 1.254 4.251 -6.649 1.00 45.34 H new ATOM 0 HB2 LEU A 73 1.480 6.077 -9.062 1.00 73.23 H new ATOM 0 HB3 LEU A 73 0.055 5.187 -8.562 1.00 73.23 H new ATOM 0 HG LEU A 73 1.386 7.446 -7.059 1.00 22.32 H new ATOM 0 HD11 LEU A 73 -0.693 8.685 -7.513 1.00 51.20 H new ATOM 0 HD12 LEU A 73 0.165 8.224 -9.002 1.00 51.20 H new ATOM 0 HD13 LEU A 73 -1.277 7.317 -8.489 1.00 51.20 H new ATOM 0 HD21 LEU A 73 -0.538 7.347 -5.519 1.00 75.22 H new ATOM 0 HD22 LEU A 73 -1.111 5.883 -6.354 1.00 75.22 H new ATOM 0 HD23 LEU A 73 0.441 5.861 -5.482 1.00 75.22 H new ATOM 1206 N SER A 74 3.330 3.789 -9.121 1.00 14.05 N ATOM 1207 CA SER A 74 3.871 2.810 -10.031 1.00 2.14 C ATOM 1208 C SER A 74 4.490 1.654 -9.244 1.00 33.02 C ATOM 1209 O SER A 74 4.222 0.488 -9.530 1.00 11.33 O ATOM 1210 CB SER A 74 4.902 3.469 -10.949 1.00 35.31 C ATOM 1211 OG SER A 74 4.306 4.539 -11.697 1.00 44.20 O ATOM 0 H SER A 74 3.855 4.663 -9.087 1.00 14.05 H new ATOM 0 HA SER A 74 3.071 2.407 -10.652 1.00 2.14 H new ATOM 0 HB2 SER A 74 5.732 3.852 -10.356 1.00 35.31 H new ATOM 0 HB3 SER A 74 5.315 2.727 -11.632 1.00 35.31 H new ATOM 0 HG SER A 74 4.404 5.379 -11.201 1.00 44.20 H new ATOM 1217 N GLU A 75 5.275 1.990 -8.217 1.00 74.53 N ATOM 1218 CA GLU A 75 5.905 0.984 -7.379 1.00 72.32 C ATOM 1219 C GLU A 75 4.864 0.152 -6.653 1.00 73.14 C ATOM 1220 O GLU A 75 4.967 -1.067 -6.609 1.00 51.43 O ATOM 1221 CB GLU A 75 6.891 1.613 -6.399 1.00 53.41 C ATOM 1222 CG GLU A 75 8.083 2.255 -7.084 1.00 63.44 C ATOM 1223 CD GLU A 75 9.064 2.865 -6.122 1.00 55.24 C ATOM 1224 OE1 GLU A 75 9.855 2.107 -5.493 1.00 53.02 O ATOM 1225 OE2 GLU A 75 9.119 4.099 -6.017 1.00 23.21 O ATOM 0 H GLU A 75 5.485 2.952 -7.951 1.00 74.53 H new ATOM 0 HA GLU A 75 6.472 0.318 -8.030 1.00 72.32 H new ATOM 0 HB2 GLU A 75 6.373 2.365 -5.804 1.00 53.41 H new ATOM 0 HB3 GLU A 75 7.245 0.848 -5.708 1.00 53.41 H new ATOM 0 HG2 GLU A 75 8.595 1.505 -7.687 1.00 63.44 H new ATOM 0 HG3 GLU A 75 7.728 3.026 -7.768 1.00 63.44 H new ATOM 1232 N PHE A 76 3.845 0.813 -6.127 1.00 15.24 N ATOM 1233 CA PHE A 76 2.737 0.149 -5.444 1.00 64.13 C ATOM 1234 C PHE A 76 2.065 -0.841 -6.391 1.00 40.45 C ATOM 1235 O PHE A 76 1.782 -1.978 -6.015 1.00 13.32 O ATOM 1236 CB PHE A 76 1.727 1.197 -4.953 1.00 23.10 C ATOM 1237 CG PHE A 76 0.571 0.638 -4.181 1.00 65.23 C ATOM 1238 CD1 PHE A 76 0.723 0.283 -2.857 1.00 53.03 C ATOM 1239 CD2 PHE A 76 -0.669 0.479 -4.776 1.00 22.21 C ATOM 1240 CE1 PHE A 76 -0.331 -0.222 -2.139 1.00 23.55 C ATOM 1241 CE2 PHE A 76 -1.735 -0.029 -4.060 1.00 52.31 C ATOM 1242 CZ PHE A 76 -1.562 -0.382 -2.735 1.00 60.41 C ATOM 0 H PHE A 76 3.759 1.829 -6.160 1.00 15.24 H new ATOM 0 HA PHE A 76 3.118 -0.398 -4.582 1.00 64.13 H new ATOM 0 HB2 PHE A 76 2.249 1.920 -4.326 1.00 23.10 H new ATOM 0 HB3 PHE A 76 1.342 1.742 -5.815 1.00 23.10 H new ATOM 0 HD1 PHE A 76 1.684 0.404 -2.379 1.00 53.03 H new ATOM 0 HD2 PHE A 76 -0.804 0.755 -5.811 1.00 22.21 H new ATOM 0 HE1 PHE A 76 -0.195 -0.495 -1.103 1.00 23.55 H new ATOM 0 HE2 PHE A 76 -2.698 -0.150 -4.533 1.00 52.31 H new ATOM 0 HZ PHE A 76 -2.390 -0.782 -2.169 1.00 60.41 H new