USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 15 SER OG : rot 160:sc= 0.647 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.36) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00545 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.761 K(o=-0.76,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.285 K(o=-0.29,f=-2.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 138:sc= -0.159 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -1.84 USER MOD Single : A 62 SER OG : rot 59:sc= 1.22 USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0013) USER MOD Single : A 71 ASN : amide:sc= -2.12! C(o=-2.1!,f=-1.9!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -168:sc= -2.17! USER MOD Single : A 74 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.3) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -2.034 15.934 4.436 1.00 0.00 N ATOM 163 CA SER A 15 -1.359 14.853 5.144 1.00 0.00 C ATOM 164 C SER A 15 -0.616 13.944 4.169 1.00 0.00 C ATOM 165 O SER A 15 -1.175 13.502 3.165 1.00 0.00 O ATOM 166 CB SER A 15 -2.369 14.035 5.952 1.00 0.00 C ATOM 167 OG SER A 15 -1.725 13.299 6.978 1.00 0.00 O ATOM 0 HA SER A 15 -0.633 15.297 5.825 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.113 14.700 6.390 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.902 13.352 5.290 1.00 0.00 H new ATOM 0 HG SER A 15 -2.382 13.044 7.659 1.00 0.00 H new ATOM 173 N LYS A 16 0.648 13.670 4.471 1.00 0.00 N ATOM 174 CA LYS A 16 1.470 12.814 3.624 1.00 0.00 C ATOM 175 C LYS A 16 1.424 11.367 4.105 1.00 0.00 C ATOM 176 O LYS A 16 1.894 10.459 3.419 1.00 0.00 O ATOM 177 CB LYS A 16 2.917 13.313 3.610 1.00 0.00 C ATOM 178 CG LYS A 16 3.745 12.808 4.778 1.00 0.00 C ATOM 179 CD LYS A 16 3.243 13.365 6.100 1.00 0.00 C ATOM 180 CE LYS A 16 4.295 13.245 7.192 1.00 0.00 C ATOM 181 NZ LYS A 16 3.858 13.898 8.457 1.00 0.00 N ATOM 0 H LYS A 16 1.126 14.029 5.297 1.00 0.00 H new ATOM 0 HA LYS A 16 1.069 12.854 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.391 13.003 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.917 14.403 3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.711 11.719 4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.788 13.091 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.967 14.412 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.342 12.832 6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.504 12.192 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.226 13.699 6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.602 13.794 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.682 14.908 8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.984 13.448 8.796 1.00 0.00 H new ATOM 195 N THR A 17 0.854 11.159 5.288 1.00 0.00 N ATOM 196 CA THR A 17 0.747 9.823 5.860 1.00 0.00 C ATOM 197 C THR A 17 -0.590 9.181 5.510 1.00 0.00 C ATOM 198 O THR A 17 -1.651 9.735 5.800 1.00 0.00 O ATOM 199 CB THR A 17 0.904 9.854 7.392 1.00 0.00 C ATOM 200 OG1 THR A 17 2.172 10.418 7.744 1.00 0.00 O ATOM 201 CG2 THR A 17 0.785 8.455 7.977 1.00 0.00 C ATOM 0 H THR A 17 0.459 11.899 5.868 1.00 0.00 H new ATOM 0 HA THR A 17 1.555 9.230 5.432 1.00 0.00 H new ATOM 0 HB THR A 17 0.106 10.472 7.804 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.263 10.435 8.720 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.899 8.503 9.060 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.193 8.041 7.733 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.564 7.818 7.558 1.00 0.00 H new ATOM 209 N LEU A 18 -0.533 8.010 4.886 1.00 0.00 N ATOM 210 CA LEU A 18 -1.741 7.290 4.497 1.00 0.00 C ATOM 211 C LEU A 18 -2.014 6.130 5.449 1.00 0.00 C ATOM 212 O LEU A 18 -1.100 5.403 5.836 1.00 0.00 O ATOM 213 CB LEU A 18 -1.610 6.771 3.065 1.00 0.00 C ATOM 214 CG LEU A 18 -1.032 7.752 2.045 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.851 7.075 0.695 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.928 8.975 1.914 1.00 0.00 C ATOM 0 H LEU A 18 0.337 7.538 4.638 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.581 7.983 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.982 5.880 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.596 6.460 2.721 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.054 8.079 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.439 7.789 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.169 6.231 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.816 6.719 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.501 9.662 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.920 8.666 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.006 9.474 2.880 1.00 0.00 H new ATOM 228 N VAL A 19 -3.280 5.960 5.820 1.00 0.00 N ATOM 229 CA VAL A 19 -3.674 4.886 6.723 1.00 0.00 C ATOM 230 C VAL A 19 -4.361 3.756 5.965 1.00 0.00 C ATOM 231 O VAL A 19 -5.435 3.941 5.391 1.00 0.00 O ATOM 232 CB VAL A 19 -4.619 5.398 7.826 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.858 4.318 8.869 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.055 6.657 8.468 1.00 0.00 C ATOM 0 H VAL A 19 -4.049 6.553 5.509 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.761 4.509 7.184 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.578 5.648 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.528 4.699 9.640 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.309 3.447 8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.908 4.033 9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.735 7.005 9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.083 6.436 8.909 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.942 7.433 7.710 1.00 0.00 H new ATOM 244 N LEU A 20 -3.735 2.584 5.967 1.00 0.00 N ATOM 245 CA LEU A 20 -4.286 1.421 5.280 1.00 0.00 C ATOM 246 C LEU A 20 -5.245 0.656 6.187 1.00 0.00 C ATOM 247 O LEU A 20 -5.000 0.513 7.385 1.00 0.00 O ATOM 248 CB LEU A 20 -3.159 0.497 4.814 1.00 0.00 C ATOM 249 CG LEU A 20 -3.529 -0.522 3.736 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.323 -0.839 2.866 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.081 -1.791 4.369 1.00 0.00 C ATOM 0 H LEU A 20 -2.846 2.414 6.437 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.841 1.773 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.343 1.114 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.777 -0.043 5.680 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.304 -0.089 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.605 -1.566 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.972 0.074 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.527 -1.252 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.339 -2.505 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.328 -2.228 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.972 -1.550 4.949 1.00 0.00 H new ATOM 263 N SER A 21 -6.335 0.164 5.607 1.00 0.00 N ATOM 264 CA SER A 21 -7.331 -0.586 6.363 1.00 0.00 C ATOM 265 C SER A 21 -7.679 -1.893 5.656 1.00 0.00 C ATOM 266 O SER A 21 -7.759 -1.945 4.430 1.00 0.00 O ATOM 267 CB SER A 21 -8.594 0.255 6.557 1.00 0.00 C ATOM 268 OG SER A 21 -8.316 1.429 7.300 1.00 0.00 O ATOM 0 H SER A 21 -6.551 0.271 4.616 1.00 0.00 H new ATOM 0 HA SER A 21 -6.908 -0.823 7.339 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.007 0.525 5.585 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.352 -0.335 7.073 1.00 0.00 H new ATOM 0 HG SER A 21 -9.139 1.950 7.409 1.00 0.00 H new ATOM 274 N ASN A 22 -7.885 -2.946 6.441 1.00 0.00 N ATOM 275 CA ASN A 22 -8.224 -4.253 5.891 1.00 0.00 C ATOM 276 C ASN A 22 -6.999 -4.916 5.269 1.00 0.00 C ATOM 277 O ASN A 22 -7.064 -5.448 4.160 1.00 0.00 O ATOM 278 CB ASN A 22 -9.332 -4.118 4.845 1.00 0.00 C ATOM 279 CG ASN A 22 -10.031 -5.436 4.569 1.00 0.00 C ATOM 280 OD1 ASN A 22 -10.898 -5.863 5.331 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.655 -6.086 3.474 1.00 0.00 N ATOM 0 H ASN A 22 -7.823 -2.919 7.459 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.580 -4.882 6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.064 -3.386 5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.907 -3.734 3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.089 -6.978 3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.932 -5.694 2.871 1.00 0.00 H new ATOM 288 N LEU A 23 -5.884 -4.881 5.990 1.00 0.00 N ATOM 289 CA LEU A 23 -4.643 -5.479 5.509 1.00 0.00 C ATOM 290 C LEU A 23 -4.584 -6.963 5.857 1.00 0.00 C ATOM 291 O LEU A 23 -4.769 -7.349 7.011 1.00 0.00 O ATOM 292 CB LEU A 23 -3.438 -4.754 6.110 1.00 0.00 C ATOM 293 CG LEU A 23 -2.171 -4.734 5.255 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.065 -3.963 5.957 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.719 -6.153 4.939 1.00 0.00 C ATOM 0 H LEU A 23 -5.813 -4.445 6.909 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.616 -5.377 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.727 -3.724 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.199 -5.219 7.066 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.397 -4.229 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.171 -3.960 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.390 -2.937 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.839 -4.438 6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.816 -6.120 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.511 -6.684 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.506 -6.673 4.393 1.00 0.00 H new ATOM 307 N SER A 24 -4.322 -7.792 4.851 1.00 0.00 N ATOM 308 CA SER A 24 -4.239 -9.234 5.050 1.00 0.00 C ATOM 309 C SER A 24 -2.951 -9.609 5.777 1.00 0.00 C ATOM 310 O SER A 24 -1.886 -9.054 5.503 1.00 0.00 O ATOM 311 CB SER A 24 -4.309 -9.960 3.705 1.00 0.00 C ATOM 312 OG SER A 24 -5.653 -10.185 3.317 1.00 0.00 O ATOM 0 H SER A 24 -4.164 -7.489 3.890 1.00 0.00 H new ATOM 0 HA SER A 24 -5.085 -9.541 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.801 -9.370 2.943 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.783 -10.912 3.774 1.00 0.00 H new ATOM 0 HG SER A 24 -5.671 -10.649 2.454 1.00 0.00 H new ATOM 318 N TYR A 25 -3.056 -10.554 6.704 1.00 0.00 N ATOM 319 CA TYR A 25 -1.901 -11.003 7.473 1.00 0.00 C ATOM 320 C TYR A 25 -0.779 -11.467 6.550 1.00 0.00 C ATOM 321 O TYR A 25 0.401 -11.269 6.840 1.00 0.00 O ATOM 322 CB TYR A 25 -2.301 -12.137 8.418 1.00 0.00 C ATOM 323 CG TYR A 25 -3.726 -12.038 8.914 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.099 -11.055 9.823 1.00 0.00 C ATOM 325 CD2 TYR A 25 -4.699 -12.927 8.476 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.399 -10.961 10.280 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.002 -12.839 8.926 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.347 -11.855 9.828 1.00 0.00 C ATOM 329 OH TYR A 25 -7.643 -11.765 10.280 1.00 0.00 O ATOM 0 H TYR A 25 -3.929 -11.024 6.942 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.538 -10.160 8.061 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.169 -13.090 7.905 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.627 -12.140 9.274 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.360 -10.353 10.178 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.432 -13.701 7.771 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.672 -10.192 10.987 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.747 -13.537 8.573 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.184 -12.468 9.864 1.00 0.00 H new ATOM 339 N SER A 26 -1.156 -12.084 5.435 1.00 0.00 N ATOM 340 CA SER A 26 -0.182 -12.580 4.469 1.00 0.00 C ATOM 341 C SER A 26 0.558 -11.425 3.802 1.00 0.00 C ATOM 342 O SER A 26 1.613 -11.616 3.197 1.00 0.00 O ATOM 343 CB SER A 26 -0.876 -13.437 3.408 1.00 0.00 C ATOM 344 OG SER A 26 -1.062 -14.765 3.866 1.00 0.00 O ATOM 0 H SER A 26 -2.129 -12.253 5.178 1.00 0.00 H new ATOM 0 HA SER A 26 0.544 -13.193 5.003 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.841 -12.998 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.280 -13.444 2.495 1.00 0.00 H new ATOM 0 HG SER A 26 -1.509 -15.291 3.170 1.00 0.00 H new ATOM 350 N ALA A 27 -0.003 -10.226 3.917 1.00 0.00 N ATOM 351 CA ALA A 27 0.604 -9.039 3.328 1.00 0.00 C ATOM 352 C ALA A 27 1.497 -8.321 4.334 1.00 0.00 C ATOM 353 O ALA A 27 1.101 -8.089 5.477 1.00 0.00 O ATOM 354 CB ALA A 27 -0.474 -8.097 2.810 1.00 0.00 C ATOM 0 H ALA A 27 -0.877 -10.051 4.413 1.00 0.00 H new ATOM 0 HA ALA A 27 1.227 -9.357 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.007 -7.215 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.068 -8.606 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.120 -7.795 3.634 1.00 0.00 H new ATOM 360 N THR A 28 2.705 -7.972 3.903 1.00 0.00 N ATOM 361 CA THR A 28 3.655 -7.283 4.767 1.00 0.00 C ATOM 362 C THR A 28 4.334 -6.133 4.031 1.00 0.00 C ATOM 363 O THR A 28 4.166 -5.974 2.823 1.00 0.00 O ATOM 364 CB THR A 28 4.734 -8.246 5.296 1.00 0.00 C ATOM 365 OG1 THR A 28 5.716 -8.488 4.282 1.00 0.00 O ATOM 366 CG2 THR A 28 4.115 -9.565 5.733 1.00 0.00 C ATOM 0 H THR A 28 3.049 -8.155 2.960 1.00 0.00 H new ATOM 0 HA THR A 28 3.087 -6.887 5.609 1.00 0.00 H new ATOM 0 HB THR A 28 5.211 -7.782 6.159 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.399 -9.100 4.628 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.896 -10.229 6.103 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.390 -9.382 6.526 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.615 -10.031 4.884 1.00 0.00 H new ATOM 374 N GLU A 29 5.100 -5.335 4.768 1.00 0.00 N ATOM 375 CA GLU A 29 5.803 -4.200 4.183 1.00 0.00 C ATOM 376 C GLU A 29 6.312 -4.536 2.785 1.00 0.00 C ATOM 377 O GLU A 29 6.437 -3.659 1.931 1.00 0.00 O ATOM 378 CB GLU A 29 6.973 -3.781 5.077 1.00 0.00 C ATOM 379 CG GLU A 29 6.572 -2.852 6.209 1.00 0.00 C ATOM 380 CD GLU A 29 7.457 -3.005 7.431 1.00 0.00 C ATOM 381 OE1 GLU A 29 7.390 -4.067 8.084 1.00 0.00 O ATOM 382 OE2 GLU A 29 8.217 -2.061 7.734 1.00 0.00 O ATOM 0 H GLU A 29 5.249 -5.453 5.770 1.00 0.00 H new ATOM 0 HA GLU A 29 5.099 -3.371 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.436 -4.674 5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.729 -3.289 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.616 -1.820 5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.537 -3.050 6.487 1.00 0.00 H new ATOM 389 N GLU A 30 6.605 -5.813 2.559 1.00 0.00 N ATOM 390 CA GLU A 30 7.102 -6.266 1.265 1.00 0.00 C ATOM 391 C GLU A 30 6.049 -6.067 0.179 1.00 0.00 C ATOM 392 O GLU A 30 6.338 -5.535 -0.894 1.00 0.00 O ATOM 393 CB GLU A 30 7.506 -7.740 1.335 1.00 0.00 C ATOM 394 CG GLU A 30 8.939 -7.957 1.791 1.00 0.00 C ATOM 395 CD GLU A 30 9.316 -9.424 1.853 1.00 0.00 C ATOM 396 OE1 GLU A 30 9.505 -10.033 0.779 1.00 0.00 O ATOM 397 OE2 GLU A 30 9.421 -9.964 2.974 1.00 0.00 O ATOM 0 H GLU A 30 6.507 -6.552 3.255 1.00 0.00 H new ATOM 0 HA GLU A 30 7.978 -5.669 1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.834 -8.260 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.374 -8.191 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.615 -7.441 1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.075 -7.509 2.775 1.00 0.00 H new ATOM 404 N THR A 31 4.824 -6.500 0.463 1.00 0.00 N ATOM 405 CA THR A 31 3.728 -6.372 -0.489 1.00 0.00 C ATOM 406 C THR A 31 3.335 -4.912 -0.682 1.00 0.00 C ATOM 407 O THR A 31 2.931 -4.506 -1.772 1.00 0.00 O ATOM 408 CB THR A 31 2.491 -7.169 -0.032 1.00 0.00 C ATOM 409 OG1 THR A 31 2.851 -8.533 0.214 1.00 0.00 O ATOM 410 CG2 THR A 31 1.392 -7.110 -1.081 1.00 0.00 C ATOM 0 H THR A 31 4.567 -6.942 1.345 1.00 0.00 H new ATOM 0 HA THR A 31 4.083 -6.778 -1.436 1.00 0.00 H new ATOM 0 HB THR A 31 2.117 -6.721 0.888 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.060 -9.033 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.529 -7.680 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.100 -6.073 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.758 -7.535 -2.016 1.00 0.00 H new ATOM 418 N LEU A 32 3.456 -4.126 0.383 1.00 0.00 N ATOM 419 CA LEU A 32 3.114 -2.709 0.330 1.00 0.00 C ATOM 420 C LEU A 32 4.144 -1.929 -0.480 1.00 0.00 C ATOM 421 O LEU A 32 3.793 -1.054 -1.270 1.00 0.00 O ATOM 422 CB LEU A 32 3.019 -2.134 1.745 1.00 0.00 C ATOM 423 CG LEU A 32 2.116 -2.892 2.718 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.154 -2.247 4.095 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.690 -2.946 2.192 1.00 0.00 C ATOM 0 H LEU A 32 3.788 -4.446 1.293 1.00 0.00 H new ATOM 0 HA LEU A 32 2.146 -2.613 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.023 -2.095 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.662 -1.106 1.675 1.00 0.00 H new ATOM 0 HG LEU A 32 2.488 -3.913 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.505 -2.800 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.175 -2.262 4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.809 -1.216 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.062 -3.489 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.308 -1.932 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.677 -3.455 1.228 1.00 0.00 H new ATOM 437 N GLN A 33 5.417 -2.255 -0.279 1.00 0.00 N ATOM 438 CA GLN A 33 6.499 -1.586 -0.992 1.00 0.00 C ATOM 439 C GLN A 33 6.315 -1.711 -2.501 1.00 0.00 C ATOM 440 O GLN A 33 6.932 -0.979 -3.273 1.00 0.00 O ATOM 441 CB GLN A 33 7.850 -2.173 -0.580 1.00 0.00 C ATOM 442 CG GLN A 33 8.417 -1.562 0.691 1.00 0.00 C ATOM 443 CD GLN A 33 9.239 -0.317 0.424 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.470 -0.357 0.444 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.563 0.797 0.172 1.00 0.00 N ATOM 0 H GLN A 33 5.724 -2.978 0.372 1.00 0.00 H new ATOM 0 HA GLN A 33 6.475 -0.529 -0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.742 -3.248 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.563 -2.028 -1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.599 -1.314 1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.037 -2.300 1.199 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.543 0.784 0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.063 1.666 -0.015 1.00 0.00 H new ATOM 454 N GLU A 34 5.463 -2.644 -2.913 1.00 0.00 N ATOM 455 CA GLU A 34 5.200 -2.866 -4.330 1.00 0.00 C ATOM 456 C GLU A 34 4.061 -1.974 -4.817 1.00 0.00 C ATOM 457 O GLU A 34 4.069 -1.504 -5.955 1.00 0.00 O ATOM 458 CB GLU A 34 4.857 -4.335 -4.584 1.00 0.00 C ATOM 459 CG GLU A 34 5.943 -5.299 -4.139 1.00 0.00 C ATOM 460 CD GLU A 34 7.069 -5.416 -5.149 1.00 0.00 C ATOM 461 OE1 GLU A 34 7.525 -4.369 -5.653 1.00 0.00 O ATOM 462 OE2 GLU A 34 7.494 -6.556 -5.434 1.00 0.00 O ATOM 0 H GLU A 34 4.943 -3.258 -2.286 1.00 0.00 H new ATOM 0 HA GLU A 34 6.102 -2.611 -4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.931 -4.578 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.671 -4.477 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.350 -4.967 -3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.505 -6.283 -3.974 1.00 0.00 H new ATOM 469 N VAL A 35 3.081 -1.747 -3.948 1.00 0.00 N ATOM 470 CA VAL A 35 1.936 -0.912 -4.288 1.00 0.00 C ATOM 471 C VAL A 35 2.285 0.568 -4.189 1.00 0.00 C ATOM 472 O VAL A 35 1.819 1.382 -4.987 1.00 0.00 O ATOM 473 CB VAL A 35 0.734 -1.207 -3.371 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.483 -0.408 -3.811 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.428 -2.697 -3.357 1.00 0.00 C ATOM 0 H VAL A 35 3.058 -2.130 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 35 1.666 -1.150 -5.317 1.00 0.00 H new ATOM 0 HB VAL A 35 0.990 -0.903 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.322 -0.630 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.256 0.657 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.745 -0.678 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.424 -2.887 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.192 -3.029 -4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.296 -3.243 -2.989 1.00 0.00 H new ATOM 485 N PHE A 36 3.110 0.911 -3.205 1.00 0.00 N ATOM 486 CA PHE A 36 3.523 2.295 -3.001 1.00 0.00 C ATOM 487 C PHE A 36 5.016 2.462 -3.268 1.00 0.00 C ATOM 488 O PHE A 36 5.849 2.115 -2.432 1.00 0.00 O ATOM 489 CB PHE A 36 3.195 2.742 -1.575 1.00 0.00 C ATOM 490 CG PHE A 36 1.774 2.469 -1.172 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.761 3.348 -1.520 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.452 1.333 -0.447 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.547 3.099 -1.150 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.145 1.079 -0.075 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.856 1.963 -0.428 1.00 0.00 C ATOM 0 H PHE A 36 3.506 0.250 -2.537 1.00 0.00 H new ATOM 0 HA PHE A 36 2.974 2.920 -3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.865 2.234 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.391 3.810 -1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.996 4.237 -2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.231 0.638 -0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.328 3.793 -1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.093 0.190 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.878 1.766 -0.140 1.00 0.00 H new ATOM 505 N GLU A 37 5.345 2.997 -4.440 1.00 0.00 N ATOM 506 CA GLU A 37 6.737 3.208 -4.819 1.00 0.00 C ATOM 507 C GLU A 37 7.252 4.538 -4.275 1.00 0.00 C ATOM 508 O GLU A 37 8.437 4.681 -3.972 1.00 0.00 O ATOM 509 CB GLU A 37 6.886 3.176 -6.341 1.00 0.00 C ATOM 510 CG GLU A 37 6.435 1.868 -6.969 1.00 0.00 C ATOM 511 CD GLU A 37 6.336 1.949 -8.480 1.00 0.00 C ATOM 512 OE1 GLU A 37 7.361 1.717 -9.154 1.00 0.00 O ATOM 513 OE2 GLU A 37 5.235 2.246 -8.988 1.00 0.00 O ATOM 0 H GLU A 37 4.667 3.292 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 37 7.331 2.402 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.309 3.994 -6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.930 3.352 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.135 1.078 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.464 1.589 -6.560 1.00 0.00 H new ATOM 520 N LYS A 38 6.354 5.509 -4.153 1.00 0.00 N ATOM 521 CA LYS A 38 6.715 6.827 -3.645 1.00 0.00 C ATOM 522 C LYS A 38 6.789 6.821 -2.122 1.00 0.00 C ATOM 523 O LYS A 38 7.419 7.690 -1.519 1.00 0.00 O ATOM 524 CB LYS A 38 5.699 7.872 -4.113 1.00 0.00 C ATOM 525 CG LYS A 38 5.407 7.812 -5.602 1.00 0.00 C ATOM 526 CD LYS A 38 6.462 8.552 -6.408 1.00 0.00 C ATOM 527 CE LYS A 38 6.170 8.489 -7.899 1.00 0.00 C ATOM 528 NZ LYS A 38 5.313 9.622 -8.345 1.00 0.00 N ATOM 0 H LYS A 38 5.369 5.408 -4.399 1.00 0.00 H new ATOM 0 HA LYS A 38 7.699 7.084 -4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.768 7.733 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.072 8.866 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.366 6.771 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.427 8.246 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.502 9.593 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.443 8.119 -6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.108 8.503 -8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.676 7.546 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.137 9.543 -9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.407 9.594 -7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.795 10.522 -8.146 1.00 0.00 H new ATOM 542 N ALA A 39 6.143 5.837 -1.506 1.00 0.00 N ATOM 543 CA ALA A 39 6.140 5.716 -0.053 1.00 0.00 C ATOM 544 C ALA A 39 7.559 5.758 0.504 1.00 0.00 C ATOM 545 O ALA A 39 8.325 4.806 0.351 1.00 0.00 O ATOM 546 CB ALA A 39 5.442 4.432 0.368 1.00 0.00 C ATOM 0 H ALA A 39 5.615 5.111 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 39 5.592 6.565 0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.447 4.355 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.413 4.443 0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.965 3.577 -0.059 1.00 0.00 H new ATOM 552 N THR A 40 7.903 6.866 1.152 1.00 0.00 N ATOM 553 CA THR A 40 9.231 7.032 1.731 1.00 0.00 C ATOM 554 C THR A 40 9.447 6.071 2.894 1.00 0.00 C ATOM 555 O THR A 40 10.583 5.786 3.274 1.00 0.00 O ATOM 556 CB THR A 40 9.452 8.475 2.223 1.00 0.00 C ATOM 557 OG1 THR A 40 8.601 8.747 3.342 1.00 0.00 O ATOM 558 CG2 THR A 40 9.173 9.475 1.112 1.00 0.00 C ATOM 0 H THR A 40 7.281 7.662 1.289 1.00 0.00 H new ATOM 0 HA THR A 40 9.950 6.811 0.943 1.00 0.00 H new ATOM 0 HB THR A 40 10.494 8.576 2.527 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.749 9.666 3.650 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.336 10.487 1.484 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.843 9.284 0.274 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.140 9.372 0.781 1.00 0.00 H new ATOM 566 N PHE A 41 8.351 5.574 3.456 1.00 0.00 N ATOM 567 CA PHE A 41 8.421 4.644 4.577 1.00 0.00 C ATOM 568 C PHE A 41 7.095 3.910 4.760 1.00 0.00 C ATOM 569 O PHE A 41 6.024 4.490 4.581 1.00 0.00 O ATOM 570 CB PHE A 41 8.785 5.389 5.863 1.00 0.00 C ATOM 571 CG PHE A 41 9.361 4.500 6.929 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.684 4.093 6.869 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.579 4.073 7.989 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.215 3.274 7.848 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.105 3.254 8.971 1.00 0.00 C ATOM 576 CZ PHE A 41 10.426 2.856 8.901 1.00 0.00 C ATOM 0 H PHE A 41 7.403 5.800 3.154 1.00 0.00 H new ATOM 0 HA PHE A 41 9.196 3.909 4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.504 6.173 5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.894 5.880 6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.307 4.419 6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.546 4.383 8.049 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.247 2.961 7.789 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.484 2.926 9.791 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.841 2.219 9.668 1.00 0.00 H new ATOM 586 N ILE A 42 7.177 2.633 5.115 1.00 0.00 N ATOM 587 CA ILE A 42 5.985 1.820 5.322 1.00 0.00 C ATOM 588 C ILE A 42 6.061 1.058 6.641 1.00 0.00 C ATOM 589 O ILE A 42 7.057 0.395 6.931 1.00 0.00 O ATOM 590 CB ILE A 42 5.782 0.815 4.173 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.465 1.554 2.871 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.670 -0.165 4.516 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.315 0.637 1.677 1.00 0.00 C ATOM 0 H ILE A 42 8.056 2.139 5.265 1.00 0.00 H new ATOM 0 HA ILE A 42 5.137 2.505 5.349 1.00 0.00 H new ATOM 0 HB ILE A 42 6.705 0.252 4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.544 2.122 3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.258 2.274 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.539 -0.869 3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.933 -0.711 5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.741 0.381 4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.091 1.229 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.243 0.087 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.502 -0.067 1.858 1.00 0.00 H new ATOM 605 N LYS A 43 5.002 1.156 7.436 1.00 0.00 N ATOM 606 CA LYS A 43 4.945 0.474 8.724 1.00 0.00 C ATOM 607 C LYS A 43 3.692 -0.390 8.827 1.00 0.00 C ATOM 608 O LYS A 43 2.587 0.063 8.529 1.00 0.00 O ATOM 609 CB LYS A 43 4.970 1.493 9.865 1.00 0.00 C ATOM 610 CG LYS A 43 5.417 0.907 11.194 1.00 0.00 C ATOM 611 CD LYS A 43 6.932 0.841 11.293 1.00 0.00 C ATOM 612 CE LYS A 43 7.376 0.022 12.495 1.00 0.00 C ATOM 613 NZ LYS A 43 8.804 -0.387 12.390 1.00 0.00 N ATOM 0 H LYS A 43 4.170 1.702 7.211 1.00 0.00 H new ATOM 0 HA LYS A 43 5.819 -0.173 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.637 2.312 9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.974 1.919 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.024 1.513 12.010 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.000 -0.093 11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.339 0.402 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.337 1.850 11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.231 0.604 13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.749 -0.866 12.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.068 -0.943 13.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.938 -0.964 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.405 0.460 12.333 1.00 0.00 H new ATOM 627 N VAL A 44 3.872 -1.636 9.254 1.00 0.00 N ATOM 628 CA VAL A 44 2.756 -2.563 9.399 1.00 0.00 C ATOM 629 C VAL A 44 2.826 -3.303 10.730 1.00 0.00 C ATOM 630 O VAL A 44 3.575 -4.266 10.895 1.00 0.00 O ATOM 631 CB VAL A 44 2.728 -3.592 8.253 1.00 0.00 C ATOM 632 CG1 VAL A 44 4.073 -4.292 8.131 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.610 -4.601 8.471 1.00 0.00 C ATOM 0 H VAL A 44 4.780 -2.027 9.506 1.00 0.00 H new ATOM 0 HA VAL A 44 1.844 -1.968 9.365 1.00 0.00 H new ATOM 0 HB VAL A 44 2.534 -3.065 7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.034 -5.015 7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.849 -3.555 7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.301 -4.808 9.064 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.605 -5.321 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.771 -5.125 9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.652 -4.081 8.504 1.00 0.00 H new ATOM 643 N PRO A 45 2.027 -2.844 11.705 1.00 0.00 N ATOM 644 CA PRO A 45 1.979 -3.449 13.039 1.00 0.00 C ATOM 645 C PRO A 45 1.334 -4.831 13.027 1.00 0.00 C ATOM 646 O PRO A 45 0.256 -5.017 12.463 1.00 0.00 O ATOM 647 CB PRO A 45 1.122 -2.467 13.843 1.00 0.00 C ATOM 648 CG PRO A 45 0.273 -1.785 12.826 1.00 0.00 C ATOM 649 CD PRO A 45 1.108 -1.701 11.579 1.00 0.00 C ATOM 0 HA PRO A 45 2.976 -3.604 13.452 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.513 -2.987 14.583 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.742 -1.753 14.385 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.644 -2.345 12.644 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.022 -0.792 13.166 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.496 -1.775 10.680 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.648 -0.756 11.520 1.00 0.00 H new ATOM 657 N GLN A 46 2.001 -5.795 13.652 1.00 0.00 N ATOM 658 CA GLN A 46 1.492 -7.161 13.712 1.00 0.00 C ATOM 659 C GLN A 46 1.353 -7.627 15.157 1.00 0.00 C ATOM 660 O GLN A 46 1.600 -6.865 16.092 1.00 0.00 O ATOM 661 CB GLN A 46 2.419 -8.107 12.946 1.00 0.00 C ATOM 662 CG GLN A 46 2.500 -7.806 11.458 1.00 0.00 C ATOM 663 CD GLN A 46 3.840 -8.185 10.858 1.00 0.00 C ATOM 664 OE1 GLN A 46 4.819 -8.388 11.577 1.00 0.00 O ATOM 665 NE2 GLN A 46 3.890 -8.283 9.535 1.00 0.00 N ATOM 0 H GLN A 46 2.895 -5.656 14.124 1.00 0.00 H new ATOM 0 HA GLN A 46 0.506 -7.175 13.248 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.419 -8.049 13.375 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.073 -9.131 13.083 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.708 -8.345 10.938 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.321 -6.743 11.296 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.054 -8.106 8.979 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.765 -8.535 9.075 1.00 0.00 H new ATOM 726 N LYS A 51 0.805 -11.448 12.643 1.00 0.00 N ATOM 727 CA LYS A 51 -0.368 -11.152 11.828 1.00 0.00 C ATOM 728 C LYS A 51 -0.656 -9.654 11.812 1.00 0.00 C ATOM 729 O LYS A 51 -0.661 -9.002 12.856 1.00 0.00 O ATOM 730 CB LYS A 51 -1.587 -11.911 12.358 1.00 0.00 C ATOM 731 CG LYS A 51 -2.309 -11.191 13.484 1.00 0.00 C ATOM 732 CD LYS A 51 -3.626 -11.868 13.823 1.00 0.00 C ATOM 733 CE LYS A 51 -4.119 -11.466 15.205 1.00 0.00 C ATOM 734 NZ LYS A 51 -4.870 -10.180 15.174 1.00 0.00 N ATOM 0 HA LYS A 51 -0.162 -11.475 10.808 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.285 -12.078 11.538 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.269 -12.892 12.710 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.673 -11.167 14.369 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.494 -10.156 13.196 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.375 -11.603 13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.502 -12.950 13.780 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.760 -12.252 15.604 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.269 -11.374 15.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.189 -9.941 16.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.251 -9.425 14.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.696 -10.275 14.549 1.00 0.00 H new ATOM 748 N SER A 52 -0.897 -9.116 10.621 1.00 0.00 N ATOM 749 CA SER A 52 -1.183 -7.694 10.469 1.00 0.00 C ATOM 750 C SER A 52 -2.480 -7.322 11.181 1.00 0.00 C ATOM 751 O SER A 52 -3.563 -7.762 10.795 1.00 0.00 O ATOM 752 CB SER A 52 -1.279 -7.327 8.986 1.00 0.00 C ATOM 753 OG SER A 52 0.007 -7.116 8.429 1.00 0.00 O ATOM 0 H SER A 52 -0.900 -9.643 9.748 1.00 0.00 H new ATOM 0 HA SER A 52 -0.366 -7.134 10.923 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.788 -8.124 8.443 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.882 -6.426 8.869 1.00 0.00 H new ATOM 0 HG SER A 52 0.052 -7.532 7.543 1.00 0.00 H new ATOM 759 N LYS A 53 -2.362 -6.508 12.225 1.00 0.00 N ATOM 760 CA LYS A 53 -3.523 -6.074 12.992 1.00 0.00 C ATOM 761 C LYS A 53 -4.710 -5.798 12.075 1.00 0.00 C ATOM 762 O LYS A 53 -5.863 -5.963 12.469 1.00 0.00 O ATOM 763 CB LYS A 53 -3.186 -4.819 13.800 1.00 0.00 C ATOM 764 CG LYS A 53 -2.005 -4.998 14.738 1.00 0.00 C ATOM 765 CD LYS A 53 -2.106 -4.078 15.943 1.00 0.00 C ATOM 766 CE LYS A 53 -1.434 -4.685 17.166 1.00 0.00 C ATOM 767 NZ LYS A 53 -1.594 -3.825 18.371 1.00 0.00 N ATOM 0 H LYS A 53 -1.473 -6.136 12.559 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.795 -6.877 13.677 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.972 -4.001 13.112 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.060 -4.526 14.382 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.959 -6.034 15.073 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.078 -4.795 14.201 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.642 -3.119 15.710 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.155 -3.880 16.164 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.859 -5.669 17.363 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.373 -4.831 16.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.123 -4.273 19.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.166 -2.894 18.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.606 -3.706 18.581 1.00 0.00 H new ATOM 781 N GLY A 54 -4.418 -5.378 10.847 1.00 0.00 N ATOM 782 CA GLY A 54 -5.472 -5.087 9.893 1.00 0.00 C ATOM 783 C GLY A 54 -5.335 -3.708 9.280 1.00 0.00 C ATOM 784 O GLY A 54 -6.207 -3.263 8.533 1.00 0.00 O ATOM 0 H GLY A 54 -3.471 -5.234 10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.458 -5.836 9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.439 -5.166 10.390 1.00 0.00 H new ATOM 788 N TYR A 55 -4.239 -3.028 9.598 1.00 0.00 N ATOM 789 CA TYR A 55 -3.993 -1.688 9.077 1.00 0.00 C ATOM 790 C TYR A 55 -2.500 -1.451 8.867 1.00 0.00 C ATOM 791 O TYR A 55 -1.672 -2.295 9.209 1.00 0.00 O ATOM 792 CB TYR A 55 -4.558 -0.635 10.031 1.00 0.00 C ATOM 793 CG TYR A 55 -4.314 -0.947 11.491 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.132 -1.836 12.177 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.267 -0.353 12.183 1.00 0.00 C ATOM 796 CE1 TYR A 55 -4.914 -2.124 13.511 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.040 -0.635 13.516 1.00 0.00 C ATOM 798 CZ TYR A 55 -3.866 -1.521 14.175 1.00 0.00 C ATOM 799 OH TYR A 55 -3.645 -1.805 15.504 1.00 0.00 O ATOM 0 H TYR A 55 -3.507 -3.382 10.214 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.496 -1.603 8.114 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.114 0.332 9.796 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.631 -0.542 9.862 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.952 -2.310 11.659 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.619 0.342 11.670 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.560 -2.817 14.030 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.221 -0.164 14.039 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.868 -1.299 15.822 1.00 0.00 H new ATOM 809 N ALA A 56 -2.165 -0.296 8.302 1.00 0.00 N ATOM 810 CA ALA A 56 -0.773 0.055 8.048 1.00 0.00 C ATOM 811 C ALA A 56 -0.595 1.567 7.965 1.00 0.00 C ATOM 812 O ALA A 56 -1.549 2.302 7.707 1.00 0.00 O ATOM 813 CB ALA A 56 -0.287 -0.607 6.767 1.00 0.00 C ATOM 0 H ALA A 56 -2.838 0.413 8.011 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.174 -0.310 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.754 -0.336 6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.369 -1.690 6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.897 -0.270 5.929 1.00 0.00 H new ATOM 819 N PHE A 57 0.633 2.026 8.184 1.00 0.00 N ATOM 820 CA PHE A 57 0.936 3.452 8.136 1.00 0.00 C ATOM 821 C PHE A 57 1.937 3.758 7.026 1.00 0.00 C ATOM 822 O PHE A 57 3.133 3.505 7.167 1.00 0.00 O ATOM 823 CB PHE A 57 1.491 3.923 9.482 1.00 0.00 C ATOM 824 CG PHE A 57 0.467 3.935 10.581 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.559 4.867 10.580 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.531 3.016 11.616 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.503 4.881 11.590 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.410 3.025 12.628 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.427 3.959 12.615 1.00 0.00 C ATOM 0 H PHE A 57 1.434 1.431 8.396 1.00 0.00 H new ATOM 0 HA PHE A 57 0.010 3.988 7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.317 3.274 9.773 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.900 4.927 9.366 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.622 5.591 9.781 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.325 2.284 11.632 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.298 5.612 11.577 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.350 2.302 13.428 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.162 3.968 13.406 1.00 0.00 H new ATOM 839 N ILE A 58 1.438 4.302 5.921 1.00 0.00 N ATOM 840 CA ILE A 58 2.287 4.643 4.787 1.00 0.00 C ATOM 841 C ILE A 58 2.783 6.082 4.884 1.00 0.00 C ATOM 842 O ILE A 58 2.041 6.978 5.284 1.00 0.00 O ATOM 843 CB ILE A 58 1.544 4.457 3.451 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.624 3.237 3.519 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.537 4.316 2.307 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.341 1.961 3.901 1.00 0.00 C ATOM 0 H ILE A 58 0.450 4.516 5.787 1.00 0.00 H new ATOM 0 HA ILE A 58 3.140 3.965 4.817 1.00 0.00 H new ATOM 0 HB ILE A 58 0.932 5.340 3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.169 3.429 4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.145 3.099 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.996 4.185 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.154 5.213 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.174 3.449 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.628 1.137 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.116 1.745 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.797 2.080 4.884 1.00 0.00 H new ATOM 858 N GLU A 59 4.042 6.294 4.514 1.00 0.00 N ATOM 859 CA GLU A 59 4.637 7.625 4.559 1.00 0.00 C ATOM 860 C GLU A 59 5.157 8.035 3.184 1.00 0.00 C ATOM 861 O GLU A 59 5.698 7.215 2.443 1.00 0.00 O ATOM 862 CB GLU A 59 5.776 7.664 5.580 1.00 0.00 C ATOM 863 CG GLU A 59 6.016 9.043 6.171 1.00 0.00 C ATOM 864 CD GLU A 59 7.342 9.143 6.900 1.00 0.00 C ATOM 865 OE1 GLU A 59 7.582 8.323 7.810 1.00 0.00 O ATOM 866 OE2 GLU A 59 8.140 10.041 6.560 1.00 0.00 O ATOM 0 H GLU A 59 4.669 5.562 4.180 1.00 0.00 H new ATOM 0 HA GLU A 59 3.864 8.331 4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.554 6.966 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.693 7.318 5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.987 9.786 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.207 9.284 6.861 1.00 0.00 H new ATOM 873 N PHE A 60 4.987 9.310 2.850 1.00 0.00 N ATOM 874 CA PHE A 60 5.437 9.830 1.565 1.00 0.00 C ATOM 875 C PHE A 60 6.222 11.126 1.747 1.00 0.00 C ATOM 876 O PHE A 60 6.388 11.612 2.865 1.00 0.00 O ATOM 877 CB PHE A 60 4.240 10.071 0.641 1.00 0.00 C ATOM 878 CG PHE A 60 3.492 8.818 0.290 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.690 8.187 1.228 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.591 8.269 -0.979 1.00 0.00 C ATOM 881 CE1 PHE A 60 2.000 7.034 0.908 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.902 7.115 -1.305 1.00 0.00 C ATOM 883 CZ PHE A 60 2.107 6.496 -0.360 1.00 0.00 C ATOM 0 H PHE A 60 4.541 10.002 3.452 1.00 0.00 H new ATOM 0 HA PHE A 60 6.094 9.088 1.111 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.556 10.771 1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.589 10.545 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.604 8.602 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.213 8.748 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.377 6.554 1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.985 6.698 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.570 5.593 -0.612 1.00 0.00 H new ATOM 893 N ALA A 61 6.704 11.679 0.639 1.00 0.00 N ATOM 894 CA ALA A 61 7.471 12.918 0.675 1.00 0.00 C ATOM 895 C ALA A 61 6.619 14.077 1.182 1.00 0.00 C ATOM 896 O ALA A 61 7.116 14.974 1.862 1.00 0.00 O ATOM 897 CB ALA A 61 8.027 13.235 -0.705 1.00 0.00 C ATOM 0 H ALA A 61 6.577 11.289 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 61 8.302 12.781 1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.597 14.163 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.678 12.423 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.205 13.346 -1.412 1.00 0.00 H new ATOM 903 N SER A 62 5.333 14.050 0.848 1.00 0.00 N ATOM 904 CA SER A 62 4.412 15.101 1.266 1.00 0.00 C ATOM 905 C SER A 62 2.974 14.738 0.907 1.00 0.00 C ATOM 906 O SER A 62 2.718 13.703 0.291 1.00 0.00 O ATOM 907 CB SER A 62 4.793 16.431 0.614 1.00 0.00 C ATOM 908 OG SER A 62 5.715 17.148 1.417 1.00 0.00 O ATOM 0 H SER A 62 4.905 13.312 0.289 1.00 0.00 H new ATOM 0 HA SER A 62 4.483 15.202 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.228 16.246 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.898 17.033 0.458 1.00 0.00 H new ATOM 0 HG SER A 62 6.522 16.608 1.549 1.00 0.00 H new ATOM 914 N PHE A 63 2.039 15.599 1.296 1.00 0.00 N ATOM 915 CA PHE A 63 0.626 15.370 1.017 1.00 0.00 C ATOM 916 C PHE A 63 0.407 15.063 -0.462 1.00 0.00 C ATOM 917 O PHE A 63 -0.615 14.493 -0.843 1.00 0.00 O ATOM 918 CB PHE A 63 -0.200 16.592 1.423 1.00 0.00 C ATOM 919 CG PHE A 63 -1.509 16.699 0.695 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.525 15.787 0.931 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.725 17.713 -0.225 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.731 15.883 0.262 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.928 17.814 -0.897 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.933 16.899 -0.652 1.00 0.00 C ATOM 0 H PHE A 63 2.234 16.461 1.805 1.00 0.00 H new ATOM 0 HA PHE A 63 0.300 14.509 1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.392 16.551 2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.384 17.493 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.373 14.992 1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.944 18.433 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.514 15.165 0.454 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.082 18.608 -1.613 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.875 16.978 -1.174 1.00 0.00 H new ATOM 934 N GLU A 64 1.375 15.445 -1.290 1.00 0.00 N ATOM 935 CA GLU A 64 1.286 15.212 -2.726 1.00 0.00 C ATOM 936 C GLU A 64 1.518 13.740 -3.054 1.00 0.00 C ATOM 937 O GLU A 64 0.585 13.017 -3.404 1.00 0.00 O ATOM 938 CB GLU A 64 2.306 16.078 -3.469 1.00 0.00 C ATOM 939 CG GLU A 64 1.780 17.453 -3.843 1.00 0.00 C ATOM 940 CD GLU A 64 2.472 18.031 -5.062 1.00 0.00 C ATOM 941 OE1 GLU A 64 2.099 17.649 -6.192 1.00 0.00 O ATOM 942 OE2 GLU A 64 3.385 18.865 -4.888 1.00 0.00 O ATOM 0 H GLU A 64 2.229 15.917 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 64 0.282 15.485 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.193 16.195 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.619 15.559 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.709 17.388 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.913 18.130 -2.999 1.00 0.00 H new ATOM 949 N ASP A 65 2.767 13.304 -2.938 1.00 0.00 N ATOM 950 CA ASP A 65 3.122 11.918 -3.221 1.00 0.00 C ATOM 951 C ASP A 65 2.107 10.960 -2.605 1.00 0.00 C ATOM 952 O ASP A 65 1.704 9.980 -3.231 1.00 0.00 O ATOM 953 CB ASP A 65 4.522 11.609 -2.688 1.00 0.00 C ATOM 954 CG ASP A 65 5.614 12.014 -3.659 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.651 11.458 -4.777 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.430 12.889 -3.302 1.00 0.00 O ATOM 0 H ASP A 65 3.551 13.890 -2.650 1.00 0.00 H new ATOM 0 HA ASP A 65 3.114 11.780 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.670 12.129 -1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.601 10.542 -2.481 1.00 0.00 H new ATOM 961 N ALA A 66 1.700 11.250 -1.373 1.00 0.00 N ATOM 962 CA ALA A 66 0.731 10.415 -0.673 1.00 0.00 C ATOM 963 C ALA A 66 -0.607 10.396 -1.404 1.00 0.00 C ATOM 964 O ALA A 66 -1.179 9.333 -1.647 1.00 0.00 O ATOM 965 CB ALA A 66 0.548 10.905 0.756 1.00 0.00 C ATOM 0 H ALA A 66 2.026 12.056 -0.840 1.00 0.00 H new ATOM 0 HA ALA A 66 1.116 9.396 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.178 10.273 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.502 10.860 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.189 11.934 0.745 1.00 0.00 H new ATOM 971 N LYS A 67 -1.103 11.579 -1.751 1.00 0.00 N ATOM 972 CA LYS A 67 -2.375 11.699 -2.454 1.00 0.00 C ATOM 973 C LYS A 67 -2.316 10.997 -3.808 1.00 0.00 C ATOM 974 O LYS A 67 -3.332 10.523 -4.314 1.00 0.00 O ATOM 975 CB LYS A 67 -2.737 13.173 -2.648 1.00 0.00 C ATOM 976 CG LYS A 67 -3.946 13.391 -3.540 1.00 0.00 C ATOM 977 CD LYS A 67 -5.240 13.060 -2.816 1.00 0.00 C ATOM 978 CE LYS A 67 -5.751 14.250 -2.017 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.420 15.256 -2.888 1.00 0.00 N ATOM 0 H LYS A 67 -0.643 12.469 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.143 11.219 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.929 13.622 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.881 13.695 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.970 14.428 -3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.858 12.770 -4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.996 12.755 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.078 12.214 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.452 13.904 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.919 14.720 -1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.331 16.200 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.970 15.257 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.427 15.015 -2.987 1.00 0.00 H new ATOM 993 N GLU A 68 -1.121 10.935 -4.386 1.00 0.00 N ATOM 994 CA GLU A 68 -0.932 10.290 -5.680 1.00 0.00 C ATOM 995 C GLU A 68 -1.248 8.799 -5.596 1.00 0.00 C ATOM 996 O GLU A 68 -1.871 8.235 -6.496 1.00 0.00 O ATOM 997 CB GLU A 68 0.504 10.491 -6.170 1.00 0.00 C ATOM 998 CG GLU A 68 0.833 9.705 -7.428 1.00 0.00 C ATOM 999 CD GLU A 68 0.426 10.434 -8.694 1.00 0.00 C ATOM 1000 OE1 GLU A 68 -0.510 11.258 -8.628 1.00 0.00 O ATOM 1001 OE2 GLU A 68 1.043 10.181 -9.749 1.00 0.00 O ATOM 0 H GLU A 68 -0.270 11.323 -3.979 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.619 10.750 -6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.669 11.551 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.194 10.199 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.904 9.504 -7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.329 8.739 -7.391 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.815 8.168 -4.510 1.00 0.00 N ATOM 1009 CA ALA A 69 -1.053 6.744 -4.308 1.00 0.00 C ATOM 1010 C ALA A 69 -2.407 6.502 -3.651 1.00 0.00 C ATOM 1011 O ALA A 69 -3.050 5.479 -3.889 1.00 0.00 O ATOM 1012 CB ALA A 69 0.060 6.138 -3.466 1.00 0.00 C ATOM 0 H ALA A 69 -0.297 8.620 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.061 6.259 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.130 5.074 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.015 6.271 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.094 6.634 -2.496 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.835 7.449 -2.823 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.114 7.338 -2.130 1.00 0.00 C ATOM 1020 C LEU A 70 -5.277 7.445 -3.112 1.00 0.00 C ATOM 1021 O LEU A 70 -6.373 6.952 -2.848 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.234 8.425 -1.061 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.651 8.906 -0.747 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.415 7.843 0.028 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.611 10.212 0.033 1.00 0.00 C ATOM 0 H LEU A 70 -2.315 8.302 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.155 6.360 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.787 8.051 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.642 9.284 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.171 9.085 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.421 8.202 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.474 6.931 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.897 7.633 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.628 10.539 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.074 10.060 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.102 10.973 -0.558 1.00 0.00 H new ATOM 1037 N ASN A 71 -5.028 8.091 -4.247 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.054 8.261 -5.270 1.00 0.00 C ATOM 1039 C ASN A 71 -6.205 6.993 -6.105 1.00 0.00 C ATOM 1040 O ASN A 71 -7.301 6.662 -6.556 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.708 9.444 -6.176 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.186 10.767 -5.608 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.234 10.837 -4.966 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.417 11.824 -5.842 1.00 0.00 N ATOM 0 H ASN A 71 -4.126 8.505 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.002 8.460 -4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.628 9.483 -6.321 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.157 9.290 -7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.687 12.740 -5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.556 11.720 -6.379 1.00 0.00 H new ATOM 1051 N SER A 72 -5.096 6.289 -6.307 1.00 0.00 N ATOM 1052 CA SER A 72 -5.104 5.059 -7.090 1.00 0.00 C ATOM 1053 C SER A 72 -5.177 3.836 -6.181 1.00 0.00 C ATOM 1054 O SER A 72 -6.167 3.102 -6.187 1.00 0.00 O ATOM 1055 CB SER A 72 -3.854 4.981 -7.969 1.00 0.00 C ATOM 1056 OG SER A 72 -4.109 4.247 -9.154 1.00 0.00 O ATOM 0 H SER A 72 -4.181 6.549 -5.939 1.00 0.00 H new ATOM 0 HA SER A 72 -5.988 5.069 -7.727 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.522 5.987 -8.225 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.043 4.510 -7.413 1.00 0.00 H new ATOM 0 HG SER A 72 -3.295 4.213 -9.699 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.123 3.623 -5.401 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.066 2.488 -4.486 1.00 0.00 C ATOM 1064 C CYS A 73 -5.399 2.301 -3.769 1.00 0.00 C ATOM 1065 O CYS A 73 -5.745 1.193 -3.360 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.946 2.687 -3.464 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.321 2.982 -4.198 1.00 0.00 S ATOM 0 H CYS A 73 -3.297 4.221 -5.384 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.860 1.591 -5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.201 3.530 -2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.890 1.805 -2.826 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.407 2.891 -3.279 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.143 3.392 -3.618 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.437 3.348 -2.948 1.00 0.00 C ATOM 1075 C ASN A 74 -8.155 2.033 -3.237 1.00 0.00 C ATOM 1076 O ASN A 74 -8.411 1.693 -4.392 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.306 4.525 -3.394 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.278 4.967 -2.317 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.482 5.068 -2.555 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.759 5.234 -1.125 1.00 0.00 N ATOM 0 H ASN A 74 -5.872 4.317 -3.951 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.264 3.419 -1.874 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.665 5.363 -3.667 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.862 4.244 -4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.364 5.536 -0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.755 5.137 -0.972 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.479 1.297 -2.179 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.170 0.021 -2.317 1.00 0.00 C ATOM 1089 C LYS A 75 -8.389 -0.925 -3.224 1.00 0.00 C ATOM 1090 O LYS A 75 -8.936 -1.476 -4.180 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.577 0.237 -2.878 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.377 1.288 -2.128 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.457 1.898 -3.005 1.00 0.00 C ATOM 1094 CE LYS A 75 -13.244 2.964 -2.258 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.287 3.588 -3.119 1.00 0.00 N ATOM 0 H LYS A 75 -8.274 1.563 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.246 -0.431 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.500 0.530 -3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.119 -0.708 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.834 0.838 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.708 2.073 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.002 2.336 -3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.135 1.116 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.715 2.520 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.562 3.734 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.801 4.309 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.836 4.034 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.953 2.858 -3.442 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.109 -1.110 -2.918 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.254 -1.989 -3.705 1.00 0.00 C ATOM 1111 C ARG A 76 -6.448 -3.446 -3.296 1.00 0.00 C ATOM 1112 O ARG A 76 -6.308 -3.794 -2.124 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.786 -1.592 -3.538 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.815 -2.560 -4.193 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.529 -2.172 -5.636 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.331 -2.829 -6.152 1.00 0.00 N ATOM 1117 CZ ARG A 76 -1.788 -2.546 -7.331 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.333 -1.623 -8.111 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.697 -3.186 -7.731 1.00 0.00 N ATOM 0 H ARG A 76 -6.641 -0.662 -2.130 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.535 -1.884 -4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.637 -0.599 -3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.556 -1.523 -2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.883 -2.579 -3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.228 -3.568 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.384 -2.436 -6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.407 -1.091 -5.703 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.887 -3.544 -5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.171 -1.128 -7.806 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.914 -1.408 -9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.274 -3.896 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.281 -2.968 -8.636 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.771 -4.291 -4.269 1.00 0.00 N ATOM 1134 CA GLU A 77 -6.986 -5.710 -4.009 1.00 0.00 C ATOM 1135 C GLU A 77 -5.664 -6.416 -3.722 1.00 0.00 C ATOM 1136 O GLU A 77 -4.893 -6.707 -4.637 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.682 -6.371 -5.200 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.199 -6.317 -5.125 1.00 0.00 C ATOM 1139 CD GLU A 77 -9.852 -6.348 -6.493 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -9.563 -5.449 -7.310 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.653 -7.272 -6.746 1.00 0.00 O ATOM 0 H GLU A 77 -6.890 -4.018 -5.245 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.625 -5.799 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.354 -5.883 -6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.366 -7.412 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.560 -7.159 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.501 -5.409 -4.603 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.409 -6.688 -2.447 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.181 -7.361 -2.040 1.00 0.00 C ATOM 1150 C ILE A 78 -4.484 -8.593 -1.194 1.00 0.00 C ATOM 1151 O ILE A 78 -5.217 -8.516 -0.209 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.261 -6.418 -1.243 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -2.912 -5.184 -2.078 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -1.998 -7.149 -0.814 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -1.962 -4.233 -1.383 1.00 0.00 C ATOM 0 H ILE A 78 -6.036 -6.453 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.671 -7.667 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.789 -6.090 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.467 -5.506 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.830 -4.651 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.358 -6.470 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.265 -7.999 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.465 -7.503 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.759 -3.382 -2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.413 -3.881 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.029 -4.750 -1.160 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.913 -9.728 -1.586 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.121 -10.976 -0.863 1.00 0.00 C ATOM 1169 C GLU A 79 -5.594 -11.377 -0.882 1.00 0.00 C ATOM 1170 O GLU A 79 -6.109 -11.934 0.087 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.637 -10.841 0.583 1.00 0.00 C ATOM 1172 CG GLU A 79 -2.132 -10.984 0.736 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.679 -12.431 0.724 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.500 -13.313 1.052 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.503 -12.682 0.387 1.00 0.00 O ATOM 0 H GLU A 79 -3.303 -9.808 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.543 -11.755 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.943 -9.869 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.130 -11.597 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.636 -10.445 -0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.820 -10.517 1.670 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.265 -11.088 -1.992 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.671 -11.425 -2.117 1.00 0.00 C ATOM 1184 C GLY A 80 -8.561 -10.512 -1.297 1.00 0.00 C ATOM 1185 O GLY A 80 -9.780 -10.683 -1.268 1.00 0.00 O ATOM 0 H GLY A 80 -5.861 -10.627 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.964 -11.367 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.824 -12.457 -1.800 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.951 -9.540 -0.626 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.695 -8.599 0.202 1.00 0.00 C ATOM 1191 C ARG A 81 -8.397 -7.160 -0.208 1.00 0.00 C ATOM 1192 O ARG A 81 -7.237 -6.772 -0.346 1.00 0.00 O ATOM 1193 CB ARG A 81 -8.350 -8.802 1.679 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.745 -10.169 2.214 1.00 0.00 C ATOM 1195 CD ARG A 81 -9.060 -10.115 3.701 1.00 0.00 C ATOM 1196 NE ARG A 81 -10.433 -9.684 3.954 1.00 0.00 N ATOM 1197 CZ ARG A 81 -10.991 -9.680 5.159 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -10.298 -10.081 6.216 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -12.245 -9.273 5.309 1.00 0.00 N ATOM 0 H ARG A 81 -6.943 -9.384 -0.640 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.759 -8.787 0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.277 -8.664 1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.848 -8.032 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.615 -10.537 1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.936 -10.878 2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.902 -11.100 4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.369 -9.431 4.194 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.993 -9.369 3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.333 -10.394 6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.729 -10.077 7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.781 -8.963 4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.673 -9.270 6.235 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.451 -6.375 -0.402 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.302 -4.979 -0.794 1.00 0.00 C ATOM 1215 C ALA A 82 -8.777 -4.136 0.363 1.00 0.00 C ATOM 1216 O ALA A 82 -9.232 -4.274 1.499 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.629 -4.426 -1.293 1.00 0.00 C ATOM 0 H ALA A 82 -10.418 -6.682 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.573 -4.931 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.503 -3.383 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.963 -5.004 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.373 -4.495 -0.500 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.818 -3.265 0.067 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.232 -2.400 1.084 1.00 0.00 C ATOM 1225 C ILE A 83 -7.582 -0.938 0.829 1.00 0.00 C ATOM 1226 O ILE A 83 -7.330 -0.408 -0.253 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.700 -2.549 1.134 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.064 -1.924 -0.109 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.314 -4.016 1.253 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.726 -0.459 0.057 1.00 0.00 C ATOM 0 H ILE A 83 -7.430 -3.140 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.650 -2.709 2.042 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.327 -2.023 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.155 -2.472 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.745 -2.038 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.228 -4.105 1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.741 -4.432 2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.696 -4.564 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.279 -0.082 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.635 0.102 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.020 -0.339 0.879 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.162 -0.290 1.834 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.546 1.111 1.720 1.00 0.00 C ATOM 1244 C ARG A 84 -7.511 2.014 2.384 1.00 0.00 C ATOM 1245 O ARG A 84 -6.870 1.628 3.362 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.919 1.340 2.354 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.565 2.656 1.952 1.00 0.00 C ATOM 1248 CD ARG A 84 -12.082 2.567 1.991 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.707 3.886 2.037 1.00 0.00 N ATOM 1250 CZ ARG A 84 -12.731 4.650 3.124 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -12.169 4.228 4.248 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -13.319 5.839 3.087 1.00 0.00 N ATOM 0 H ARG A 84 -8.376 -0.714 2.737 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.597 1.362 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.580 0.520 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.818 1.311 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.229 3.447 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.241 2.930 0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.436 2.029 1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.389 1.990 2.863 1.00 0.00 H new ATOM 0 HE ARG A 84 -13.149 4.240 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.716 3.314 4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.189 4.817 5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.753 6.167 2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.337 6.425 3.922 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.351 3.218 1.845 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.393 4.177 2.385 1.00 0.00 C ATOM 1268 C LEU A 85 -7.092 5.464 2.812 1.00 0.00 C ATOM 1269 O LEU A 85 -8.018 5.928 2.147 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.314 4.489 1.346 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.526 3.291 0.816 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.014 3.568 -0.589 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.371 2.958 1.750 1.00 0.00 C ATOM 0 H LEU A 85 -7.872 3.553 1.035 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.925 3.731 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.786 4.991 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.610 5.196 1.784 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.194 2.431 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.456 2.704 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.857 3.758 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.361 4.441 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.821 2.103 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.703 3.816 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.761 2.716 2.739 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.640 6.036 3.923 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.222 7.270 4.437 1.00 0.00 C ATOM 1287 C GLU A 86 -6.157 8.138 5.103 1.00 0.00 C ATOM 1288 O GLU A 86 -5.379 7.661 5.930 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.338 6.957 5.437 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.710 6.832 4.797 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.830 6.809 5.819 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.821 5.914 6.690 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.716 7.687 5.748 1.00 0.00 O ATOM 0 H GLU A 86 -5.873 5.665 4.484 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.642 7.821 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.101 6.027 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.369 7.742 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.865 7.666 4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.747 5.920 4.202 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.129 9.414 4.735 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.159 10.350 5.295 1.00 0.00 C ATOM 1302 C LEU A 87 -5.324 10.464 6.807 1.00 0.00 C ATOM 1303 O LEU A 87 -6.434 10.640 7.309 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.318 11.727 4.648 1.00 0.00 C ATOM 1305 CG LEU A 87 -4.983 11.811 3.159 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.264 13.208 2.627 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.531 11.428 2.916 1.00 0.00 C ATOM 0 H LEU A 87 -6.766 9.824 4.052 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.159 9.970 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.348 12.055 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.683 12.433 5.183 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.618 11.106 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.020 13.249 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.319 13.445 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.655 13.933 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.311 11.494 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.879 12.108 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.362 10.407 3.259 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.211 10.364 7.527 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.232 10.458 8.982 1.00 0.00 C ATOM 1321 C GLN A 88 -4.390 11.907 9.432 1.00 0.00 C ATOM 1322 O GLN A 88 -4.015 12.834 8.717 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.951 9.866 9.571 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.134 9.282 10.963 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.819 9.086 11.691 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.527 9.778 12.667 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -1.017 8.138 11.220 1.00 0.00 N ATOM 0 H GLN A 88 -3.284 10.218 7.127 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.088 9.889 9.345 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.581 9.087 8.905 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.186 10.642 9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.774 9.942 11.548 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.649 8.324 10.886 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.299 7.588 10.409 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.119 7.960 11.670 1.00 0.00 H new