USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 449 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 64 HIS : no HD1:sc= -0.0952 K(o=-0.095,f=-0.94) USER MOD Single : A 75 THR OG1 : rot -95:sc= 0.541 USER MOD Single : A 77 SER OG : rot 151:sc= 0.783 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 172:sc= 1.15 (180deg=1.01) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -169:sc= -0.0202 (180deg=-0.356) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0.0713 K(o=0.071,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 218 N ALA A 61 -13.545 11.886 -8.264 1.00 0.00 N ATOM 219 CA ALA A 61 -12.844 10.780 -7.607 1.00 0.00 C ATOM 220 C ALA A 61 -13.720 10.026 -6.590 1.00 0.00 C ATOM 221 O ALA A 61 -14.551 10.632 -5.908 1.00 0.00 O ATOM 222 CB ALA A 61 -11.611 11.331 -6.889 1.00 0.00 C ATOM 0 HA ALA A 61 -12.569 10.067 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.082 10.515 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.950 11.807 -7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.921 12.064 -6.144 1.00 0.00 H new ATOM 228 N ALA A 62 -13.473 8.724 -6.432 1.00 0.00 N ATOM 229 CA ALA A 62 -14.118 7.881 -5.427 1.00 0.00 C ATOM 230 C ALA A 62 -13.258 7.619 -4.182 1.00 0.00 C ATOM 231 O ALA A 62 -12.053 7.379 -4.263 1.00 0.00 O ATOM 232 CB ALA A 62 -14.616 6.581 -6.068 1.00 0.00 C ATOM 0 H ALA A 62 -12.805 8.217 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.975 8.441 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.095 5.961 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.336 6.815 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.773 6.041 -6.498 1.00 0.00 H new ATOM 238 N LEU A 63 -13.914 7.621 -3.017 1.00 0.00 N ATOM 239 CA LEU A 63 -13.312 7.413 -1.700 1.00 0.00 C ATOM 240 C LEU A 63 -14.153 6.470 -0.817 1.00 0.00 C ATOM 241 O LEU A 63 -15.375 6.383 -0.954 1.00 0.00 O ATOM 242 CB LEU A 63 -13.035 8.764 -1.004 1.00 0.00 C ATOM 243 CG LEU A 63 -14.242 9.722 -0.903 1.00 0.00 C ATOM 244 CD1 LEU A 63 -14.240 10.451 0.440 1.00 0.00 C ATOM 245 CD2 LEU A 63 -14.217 10.784 -2.006 1.00 0.00 C ATOM 0 H LEU A 63 -14.921 7.774 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.355 6.914 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.667 8.565 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.235 9.272 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 63 -15.136 9.107 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -15.098 11.121 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.299 9.723 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.321 11.030 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -15.082 11.438 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.304 11.374 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.247 10.297 -2.981 1.00 0.00 H new ATOM 257 N HIS A 64 -13.477 5.775 0.099 1.00 0.00 N ATOM 258 CA HIS A 64 -14.073 4.896 1.111 1.00 0.00 C ATOM 259 C HIS A 64 -14.872 5.700 2.150 1.00 0.00 C ATOM 260 O HIS A 64 -14.474 6.805 2.525 1.00 0.00 O ATOM 261 CB HIS A 64 -12.944 4.119 1.803 1.00 0.00 C ATOM 262 CG HIS A 64 -12.209 3.131 0.932 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.721 1.911 0.485 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.898 3.227 0.554 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.708 1.302 -0.151 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.605 2.070 -0.134 1.00 0.00 N ATOM 0 H HIS A 64 -12.459 5.809 0.160 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.766 4.210 0.625 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.223 4.835 2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.363 3.584 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.225 4.048 0.755 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.771 0.328 -0.613 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.707 1.837 -0.557 1.00 0.00 H new ATOM 274 N ALA A 65 -15.975 5.136 2.655 1.00 0.00 N ATOM 275 CA ALA A 65 -16.904 5.827 3.561 1.00 0.00 C ATOM 276 C ALA A 65 -16.867 5.344 5.030 1.00 0.00 C ATOM 277 O ALA A 65 -17.412 6.020 5.904 1.00 0.00 O ATOM 278 CB ALA A 65 -18.311 5.695 2.961 1.00 0.00 C ATOM 0 H ALA A 65 -16.252 4.177 2.445 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.591 6.869 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.031 6.197 3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.329 6.154 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.573 4.640 2.877 1.00 0.00 H new ATOM 284 N GLU A 66 -16.241 4.195 5.316 1.00 0.00 N ATOM 285 CA GLU A 66 -16.280 3.524 6.632 1.00 0.00 C ATOM 286 C GLU A 66 -14.911 2.952 7.056 1.00 0.00 C ATOM 287 O GLU A 66 -14.035 2.699 6.224 1.00 0.00 O ATOM 288 CB GLU A 66 -17.331 2.396 6.616 1.00 0.00 C ATOM 289 CG GLU A 66 -18.769 2.900 6.426 1.00 0.00 C ATOM 290 CD GLU A 66 -19.777 1.742 6.560 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.100 1.086 5.538 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.263 1.478 7.688 1.00 0.00 O ATOM 0 H GLU A 66 -15.681 3.692 4.628 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.552 4.283 7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.090 1.698 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.270 1.840 7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.991 3.668 7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.870 3.364 5.445 1.00 0.00 H new ATOM 299 N GLY A 67 -14.737 2.727 8.365 1.00 0.00 N ATOM 300 CA GLY A 67 -13.524 2.137 8.953 1.00 0.00 C ATOM 301 C GLY A 67 -12.286 3.053 8.913 1.00 0.00 C ATOM 302 O GLY A 67 -12.413 4.256 8.663 1.00 0.00 O ATOM 0 H GLY A 67 -15.449 2.954 9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.730 1.871 9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.293 1.211 8.426 1.00 0.00 H new ATOM 306 N PRO A 68 -11.066 2.507 9.120 1.00 0.00 N ATOM 307 CA PRO A 68 -9.815 3.285 9.099 1.00 0.00 C ATOM 308 C PRO A 68 -9.544 3.990 7.760 1.00 0.00 C ATOM 309 O PRO A 68 -8.835 4.997 7.714 1.00 0.00 O ATOM 310 CB PRO A 68 -8.704 2.271 9.404 1.00 0.00 C ATOM 311 CG PRO A 68 -9.307 0.916 9.045 1.00 0.00 C ATOM 312 CD PRO A 68 -10.783 1.102 9.382 1.00 0.00 C ATOM 0 HA PRO A 68 -9.872 4.094 9.828 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.809 2.475 8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.411 2.308 10.453 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.160 0.674 7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.859 0.108 9.623 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.410 0.454 8.770 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.983 0.848 10.423 1.00 0.00 H new ATOM 320 N LEU A 69 -10.126 3.473 6.671 1.00 0.00 N ATOM 321 CA LEU A 69 -10.026 4.014 5.316 1.00 0.00 C ATOM 322 C LEU A 69 -11.038 5.139 5.020 1.00 0.00 C ATOM 323 O LEU A 69 -10.950 5.752 3.957 1.00 0.00 O ATOM 324 CB LEU A 69 -10.113 2.827 4.327 1.00 0.00 C ATOM 325 CG LEU A 69 -8.762 2.356 3.748 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.699 2.112 4.820 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.946 1.036 2.998 1.00 0.00 C ATOM 0 H LEU A 69 -10.702 2.632 6.715 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.065 4.515 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.586 1.986 4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.766 3.110 3.501 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.426 3.159 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.774 1.783 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.517 3.036 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.047 1.343 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.988 0.711 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.326 0.278 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.656 1.177 2.183 1.00 0.00 H new ATOM 339 N ALA A 70 -11.973 5.454 5.926 1.00 0.00 N ATOM 340 CA ALA A 70 -12.972 6.505 5.711 1.00 0.00 C ATOM 341 C ALA A 70 -12.325 7.851 5.310 1.00 0.00 C ATOM 342 O ALA A 70 -11.430 8.358 5.992 1.00 0.00 O ATOM 343 CB ALA A 70 -13.834 6.662 6.970 1.00 0.00 C ATOM 0 H ALA A 70 -12.057 4.986 6.829 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.606 6.204 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.576 7.444 6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.340 5.721 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.200 6.933 7.814 1.00 0.00 H new ATOM 349 N GLY A 71 -12.794 8.428 4.198 1.00 0.00 N ATOM 350 CA GLY A 71 -12.272 9.669 3.617 1.00 0.00 C ATOM 351 C GLY A 71 -11.161 9.499 2.574 1.00 0.00 C ATOM 352 O GLY A 71 -10.772 10.486 1.948 1.00 0.00 O ATOM 0 H GLY A 71 -13.568 8.034 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.099 10.208 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.894 10.296 4.425 1.00 0.00 H new ATOM 356 N LEU A 72 -10.639 8.283 2.378 1.00 0.00 N ATOM 357 CA LEU A 72 -9.448 8.026 1.559 1.00 0.00 C ATOM 358 C LEU A 72 -9.809 7.409 0.185 1.00 0.00 C ATOM 359 O LEU A 72 -10.800 6.683 0.100 1.00 0.00 O ATOM 360 CB LEU A 72 -8.491 7.133 2.367 1.00 0.00 C ATOM 361 CG LEU A 72 -8.138 7.567 3.805 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.075 6.608 4.344 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.587 8.991 3.893 1.00 0.00 C ATOM 0 H LEU A 72 -11.037 7.438 2.789 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.953 8.969 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.927 6.135 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.560 7.047 1.806 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.059 7.541 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.808 6.895 5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.469 5.592 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.189 6.653 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.360 9.230 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.678 9.067 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.330 9.693 3.513 1.00 0.00 H new ATOM 375 N PRO A 73 -9.034 7.651 -0.893 1.00 0.00 N ATOM 376 CA PRO A 73 -9.325 7.164 -2.253 1.00 0.00 C ATOM 377 C PRO A 73 -9.423 5.644 -2.334 1.00 0.00 C ATOM 378 O PRO A 73 -8.685 4.923 -1.664 1.00 0.00 O ATOM 379 CB PRO A 73 -8.182 7.675 -3.138 1.00 0.00 C ATOM 380 CG PRO A 73 -7.033 7.850 -2.149 1.00 0.00 C ATOM 381 CD PRO A 73 -7.744 8.323 -0.886 1.00 0.00 C ATOM 0 HA PRO A 73 -10.298 7.533 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.932 6.963 -3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.440 8.614 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.495 6.916 -1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.304 8.580 -2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.172 8.066 0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.865 9.406 -0.886 1.00 0.00 H new ATOM 389 N VAL A 74 -10.294 5.149 -3.214 1.00 0.00 N ATOM 390 CA VAL A 74 -10.419 3.705 -3.464 1.00 0.00 C ATOM 391 C VAL A 74 -9.283 3.191 -4.365 1.00 0.00 C ATOM 392 O VAL A 74 -8.882 2.035 -4.243 1.00 0.00 O ATOM 393 CB VAL A 74 -11.817 3.353 -4.019 1.00 0.00 C ATOM 394 CG1 VAL A 74 -12.029 1.838 -4.097 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.935 3.889 -3.113 1.00 0.00 C ATOM 0 H VAL A 74 -10.927 5.725 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.319 3.188 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.859 3.807 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.023 1.630 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.278 1.399 -4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.936 1.406 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.904 3.623 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.839 3.452 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.856 4.974 -3.041 1.00 0.00 H new ATOM 405 N THR A 75 -8.733 4.043 -5.245 1.00 0.00 N ATOM 406 CA THR A 75 -7.750 3.658 -6.280 1.00 0.00 C ATOM 407 C THR A 75 -6.640 4.695 -6.459 1.00 0.00 C ATOM 408 O THR A 75 -6.747 5.834 -6.004 1.00 0.00 O ATOM 409 CB THR A 75 -8.432 3.390 -7.644 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.587 4.599 -8.362 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.802 2.721 -7.534 1.00 0.00 C ATOM 0 H THR A 75 -8.961 5.037 -5.260 1.00 0.00 H new ATOM 0 HA THR A 75 -7.293 2.736 -5.921 1.00 0.00 H new ATOM 0 HB THR A 75 -7.770 2.699 -8.166 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.485 4.959 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.213 2.568 -8.532 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.698 1.759 -7.032 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.473 3.359 -6.959 1.00 0.00 H new ATOM 419 N ARG A 76 -5.571 4.317 -7.175 1.00 0.00 N ATOM 420 CA ARG A 76 -4.445 5.215 -7.511 1.00 0.00 C ATOM 421 C ARG A 76 -4.883 6.353 -8.444 1.00 0.00 C ATOM 422 O ARG A 76 -4.440 7.486 -8.280 1.00 0.00 O ATOM 423 CB ARG A 76 -3.287 4.388 -8.114 1.00 0.00 C ATOM 424 CG ARG A 76 -2.776 3.319 -7.132 1.00 0.00 C ATOM 425 CD ARG A 76 -1.671 2.438 -7.726 1.00 0.00 C ATOM 426 NE ARG A 76 -1.324 1.339 -6.798 1.00 0.00 N ATOM 427 CZ ARG A 76 -0.679 0.221 -7.084 1.00 0.00 C ATOM 428 NH1 ARG A 76 -0.207 -0.030 -8.272 1.00 0.00 N ATOM 429 NH2 ARG A 76 -0.511 -0.669 -6.152 1.00 0.00 N ATOM 0 H ARG A 76 -5.458 3.372 -7.543 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.092 5.691 -6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.624 3.907 -9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.468 5.054 -8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.399 3.809 -6.234 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.610 2.688 -6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.001 2.025 -8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.787 3.042 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.615 1.457 -5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.329 0.649 -9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.285 -0.905 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.875 -0.500 -5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.015 -1.536 -6.358 1.00 0.00 H new ATOM 443 N SER A 77 -5.835 6.082 -9.343 1.00 0.00 N ATOM 444 CA SER A 77 -6.451 7.101 -10.208 1.00 0.00 C ATOM 445 C SER A 77 -7.328 8.071 -9.410 1.00 0.00 C ATOM 446 O SER A 77 -7.210 9.284 -9.585 1.00 0.00 O ATOM 447 CB SER A 77 -7.255 6.434 -11.328 1.00 0.00 C ATOM 448 OG SER A 77 -7.598 7.406 -12.307 1.00 0.00 O ATOM 0 H SER A 77 -6.204 5.143 -9.494 1.00 0.00 H new ATOM 0 HA SER A 77 -5.647 7.687 -10.655 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.671 5.634 -11.783 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.157 5.978 -10.921 1.00 0.00 H new ATOM 0 HG SER A 77 -7.677 6.974 -13.183 1.00 0.00 H new ATOM 454 N ASP A 78 -8.123 7.576 -8.452 1.00 0.00 N ATOM 455 CA ASP A 78 -8.907 8.441 -7.558 1.00 0.00 C ATOM 456 C ASP A 78 -8.000 9.296 -6.668 1.00 0.00 C ATOM 457 O ASP A 78 -8.267 10.479 -6.494 1.00 0.00 O ATOM 458 CB ASP A 78 -9.892 7.623 -6.711 1.00 0.00 C ATOM 459 CG ASP A 78 -11.005 6.982 -7.555 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.625 7.703 -8.377 1.00 0.00 O ATOM 461 OD2 ASP A 78 -11.325 5.794 -7.337 1.00 0.00 O ATOM 0 H ASP A 78 -8.241 6.578 -8.275 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.487 9.116 -8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.348 6.842 -6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.340 8.269 -5.956 1.00 0.00 H new ATOM 466 N ALA A 79 -6.881 8.754 -6.177 1.00 0.00 N ATOM 467 CA ALA A 79 -5.877 9.512 -5.424 1.00 0.00 C ATOM 468 C ALA A 79 -5.247 10.647 -6.260 1.00 0.00 C ATOM 469 O ALA A 79 -5.195 11.793 -5.812 1.00 0.00 O ATOM 470 CB ALA A 79 -4.822 8.516 -4.922 1.00 0.00 C ATOM 0 H ALA A 79 -6.645 7.768 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.353 10.011 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.058 9.049 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.298 7.775 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.360 8.016 -5.773 1.00 0.00 H new ATOM 476 N ARG A 80 -4.851 10.356 -7.506 1.00 0.00 N ATOM 477 CA ARG A 80 -4.387 11.342 -8.506 1.00 0.00 C ATOM 478 C ARG A 80 -5.424 12.440 -8.753 1.00 0.00 C ATOM 479 O ARG A 80 -5.069 13.615 -8.748 1.00 0.00 O ATOM 480 CB ARG A 80 -3.966 10.556 -9.769 1.00 0.00 C ATOM 481 CG ARG A 80 -3.646 11.394 -11.020 1.00 0.00 C ATOM 482 CD ARG A 80 -4.843 11.623 -11.964 1.00 0.00 C ATOM 483 NE ARG A 80 -5.374 10.354 -12.512 1.00 0.00 N ATOM 484 CZ ARG A 80 -4.954 9.703 -13.586 1.00 0.00 C ATOM 485 NH1 ARG A 80 -3.961 10.124 -14.317 1.00 0.00 N ATOM 486 NH2 ARG A 80 -5.529 8.595 -13.945 1.00 0.00 N ATOM 0 H ARG A 80 -4.842 9.400 -7.862 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.520 11.894 -8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.088 9.959 -9.523 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.765 9.859 -10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.260 12.363 -10.703 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.850 10.901 -11.578 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.635 12.143 -11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.537 12.272 -12.785 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.152 9.933 -12.004 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.475 10.986 -14.070 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.670 9.592 -15.137 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.307 8.224 -13.399 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.203 8.096 -14.773 1.00 0.00 H new ATOM 500 N VAL A 81 -6.705 12.092 -8.901 1.00 0.00 N ATOM 501 CA VAL A 81 -7.785 13.081 -9.111 1.00 0.00 C ATOM 502 C VAL A 81 -8.109 13.865 -7.831 1.00 0.00 C ATOM 503 O VAL A 81 -8.355 15.062 -7.927 1.00 0.00 O ATOM 504 CB VAL A 81 -9.036 12.424 -9.725 1.00 0.00 C ATOM 505 CG1 VAL A 81 -10.218 13.396 -9.849 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.758 11.916 -11.145 1.00 0.00 C ATOM 0 H VAL A 81 -7.029 11.125 -8.880 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.419 13.812 -9.832 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.286 11.610 -9.045 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.071 12.878 -10.288 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.489 13.768 -8.861 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.935 14.233 -10.487 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.660 11.458 -11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.459 12.751 -11.778 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.957 11.177 -11.117 1.00 0.00 H new ATOM 516 N LEU A 82 -8.048 13.271 -6.635 1.00 0.00 N ATOM 517 CA LEU A 82 -8.201 14.010 -5.367 1.00 0.00 C ATOM 518 C LEU A 82 -7.086 15.057 -5.190 1.00 0.00 C ATOM 519 O LEU A 82 -7.378 16.209 -4.870 1.00 0.00 O ATOM 520 CB LEU A 82 -8.238 13.038 -4.165 1.00 0.00 C ATOM 521 CG LEU A 82 -9.552 12.255 -3.955 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.402 11.351 -2.732 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.760 13.162 -3.707 1.00 0.00 C ATOM 0 H LEU A 82 -7.892 12.270 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.152 14.542 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.427 12.319 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.031 13.607 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.730 11.692 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.326 10.794 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.580 10.653 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.193 11.960 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.651 12.551 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.587 13.762 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.902 13.821 -4.564 1.00 0.00 H new ATOM 535 N ILE A 83 -5.828 14.699 -5.477 1.00 0.00 N ATOM 536 CA ILE A 83 -4.702 15.651 -5.455 1.00 0.00 C ATOM 537 C ILE A 83 -4.875 16.729 -6.538 1.00 0.00 C ATOM 538 O ILE A 83 -4.647 17.908 -6.266 1.00 0.00 O ATOM 539 CB ILE A 83 -3.344 14.916 -5.569 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.111 14.013 -4.332 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.198 15.942 -5.696 1.00 0.00 C ATOM 542 CD1 ILE A 83 -2.001 12.971 -4.520 1.00 0.00 C ATOM 0 H ILE A 83 -5.559 13.748 -5.730 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.703 16.161 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.362 14.288 -6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.863 14.642 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.041 13.498 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.246 15.417 -5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.352 16.551 -6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.185 16.584 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.900 12.379 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.255 12.315 -5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.059 13.477 -4.730 1.00 0.00 H new ATOM 554 N PHE A 84 -5.327 16.363 -7.743 1.00 0.00 N ATOM 555 CA PHE A 84 -5.615 17.336 -8.804 1.00 0.00 C ATOM 556 C PHE A 84 -6.725 18.324 -8.413 1.00 0.00 C ATOM 557 O PHE A 84 -6.562 19.528 -8.584 1.00 0.00 O ATOM 558 CB PHE A 84 -6.006 16.614 -10.101 1.00 0.00 C ATOM 559 CG PHE A 84 -6.326 17.555 -11.252 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.461 18.624 -11.563 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.515 17.396 -11.992 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.753 19.499 -12.620 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.814 18.276 -13.047 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.927 19.323 -13.369 1.00 0.00 C ATOM 0 H PHE A 84 -5.502 15.394 -8.009 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.701 17.910 -8.959 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.191 15.954 -10.399 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.873 15.983 -9.908 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.563 18.771 -10.981 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.198 16.596 -11.748 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.076 20.306 -12.857 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.726 18.149 -13.612 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.150 19.988 -14.190 1.00 0.00 H new ATOM 574 N ASN A 85 -7.838 17.829 -7.862 1.00 0.00 N ATOM 575 CA ASN A 85 -8.966 18.656 -7.442 1.00 0.00 C ATOM 576 C ASN A 85 -8.582 19.593 -6.281 1.00 0.00 C ATOM 577 O ASN A 85 -8.973 20.762 -6.284 1.00 0.00 O ATOM 578 CB ASN A 85 -10.139 17.731 -7.077 1.00 0.00 C ATOM 579 CG ASN A 85 -11.361 18.526 -6.652 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.635 18.705 -5.474 1.00 0.00 O ATOM 581 ND2 ASN A 85 -12.121 19.044 -7.592 1.00 0.00 N ATOM 0 H ASN A 85 -7.979 16.833 -7.695 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.268 19.308 -8.262 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.390 17.105 -7.933 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.839 17.062 -6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.940 19.596 -7.339 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.891 18.894 -8.574 1.00 0.00 H new ATOM 588 N GLU A 86 -7.762 19.115 -5.336 1.00 0.00 N ATOM 589 CA GLU A 86 -7.150 19.969 -4.315 1.00 0.00 C ATOM 590 C GLU A 86 -6.285 21.059 -4.957 1.00 0.00 C ATOM 591 O GLU A 86 -6.553 22.236 -4.724 1.00 0.00 O ATOM 592 CB GLU A 86 -6.361 19.137 -3.287 1.00 0.00 C ATOM 593 CG GLU A 86 -5.595 20.046 -2.314 1.00 0.00 C ATOM 594 CD GLU A 86 -5.156 19.317 -1.033 1.00 0.00 C ATOM 595 OE1 GLU A 86 -4.354 18.355 -1.121 1.00 0.00 O ATOM 596 OE2 GLU A 86 -5.604 19.730 0.066 1.00 0.00 O ATOM 0 H GLU A 86 -7.506 18.131 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.951 20.469 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.045 18.497 -2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.661 18.481 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.715 20.448 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.224 20.894 -2.046 1.00 0.00 H new ATOM 603 N TRP A 87 -5.298 20.713 -5.795 1.00 0.00 N ATOM 604 CA TRP A 87 -4.482 21.709 -6.481 1.00 0.00 C ATOM 605 C TRP A 87 -5.324 22.725 -7.268 1.00 0.00 C ATOM 606 O TRP A 87 -5.054 23.915 -7.163 1.00 0.00 O ATOM 607 CB TRP A 87 -3.466 21.017 -7.391 1.00 0.00 C ATOM 608 CG TRP A 87 -2.649 21.983 -8.187 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.556 22.644 -7.745 1.00 0.00 C ATOM 610 CD2 TRP A 87 -2.916 22.501 -9.527 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.125 23.525 -8.717 1.00 0.00 N ATOM 612 CE2 TRP A 87 -1.929 23.484 -9.834 1.00 0.00 C ATOM 613 CE3 TRP A 87 -3.910 22.259 -10.499 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -1.923 24.189 -11.047 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -3.924 22.972 -11.714 1.00 0.00 C ATOM 616 CH2 TRP A 87 -2.937 23.936 -11.986 1.00 0.00 C ATOM 0 H TRP A 87 -5.050 19.747 -6.011 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.951 22.277 -5.717 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.803 20.401 -6.784 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.992 20.346 -8.071 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.091 22.505 -6.780 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.311 24.132 -8.619 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.671 21.517 -10.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.151 24.915 -11.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -4.698 22.777 -12.441 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -2.958 24.482 -12.917 1.00 0.00 H new ATOM 627 N GLU A 88 -6.374 22.306 -7.981 1.00 0.00 N ATOM 628 CA GLU A 88 -7.292 23.203 -8.691 1.00 0.00 C ATOM 629 C GLU A 88 -7.997 24.195 -7.750 1.00 0.00 C ATOM 630 O GLU A 88 -7.983 25.396 -8.012 1.00 0.00 O ATOM 631 CB GLU A 88 -8.330 22.368 -9.466 1.00 0.00 C ATOM 632 CG GLU A 88 -7.933 22.090 -10.921 1.00 0.00 C ATOM 633 CD GLU A 88 -8.225 23.315 -11.811 1.00 0.00 C ATOM 634 OE1 GLU A 88 -7.382 24.238 -11.903 1.00 0.00 O ATOM 635 OE2 GLU A 88 -9.333 23.399 -12.396 1.00 0.00 O ATOM 0 H GLU A 88 -6.614 21.320 -8.083 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.699 23.799 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.478 21.419 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.287 22.890 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.873 21.842 -10.972 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.482 21.225 -11.294 1.00 0.00 H new ATOM 642 N GLU A 89 -8.585 23.733 -6.641 1.00 0.00 N ATOM 643 CA GLU A 89 -9.231 24.608 -5.649 1.00 0.00 C ATOM 644 C GLU A 89 -8.230 25.621 -5.051 1.00 0.00 C ATOM 645 O GLU A 89 -8.466 26.837 -5.046 1.00 0.00 O ATOM 646 CB GLU A 89 -9.858 23.725 -4.553 1.00 0.00 C ATOM 647 CG GLU A 89 -10.596 24.525 -3.473 1.00 0.00 C ATOM 648 CD GLU A 89 -11.202 23.585 -2.410 1.00 0.00 C ATOM 649 OE1 GLU A 89 -10.514 23.278 -1.404 1.00 0.00 O ATOM 650 OE2 GLU A 89 -12.373 23.161 -2.566 1.00 0.00 O ATOM 0 H GLU A 89 -8.628 22.742 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.010 25.194 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.554 23.025 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.074 23.131 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.907 25.223 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.386 25.120 -3.931 1.00 0.00 H new ATOM 657 N ARG A 90 -7.072 25.117 -4.605 1.00 0.00 N ATOM 658 CA ARG A 90 -6.002 25.925 -4.003 1.00 0.00 C ATOM 659 C ARG A 90 -5.486 26.953 -5.004 1.00 0.00 C ATOM 660 O ARG A 90 -5.448 28.127 -4.674 1.00 0.00 O ATOM 661 CB ARG A 90 -4.838 25.035 -3.550 1.00 0.00 C ATOM 662 CG ARG A 90 -5.210 23.924 -2.564 1.00 0.00 C ATOM 663 CD ARG A 90 -5.139 24.286 -1.075 1.00 0.00 C ATOM 664 NE ARG A 90 -5.759 23.205 -0.276 1.00 0.00 N ATOM 665 CZ ARG A 90 -7.055 22.959 -0.160 1.00 0.00 C ATOM 666 NH1 ARG A 90 -7.957 23.820 -0.529 1.00 0.00 N ATOM 667 NH2 ARG A 90 -7.466 21.816 0.299 1.00 0.00 N ATOM 0 H ARG A 90 -6.848 24.123 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.418 26.438 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.386 24.580 -4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.077 25.666 -3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.224 23.593 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.551 23.074 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.101 24.427 -0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.655 25.229 -0.894 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.126 22.590 0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.674 24.718 -0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.947 23.598 -0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.790 21.103 0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.465 21.631 0.387 1.00 0.00 H new ATOM 681 N LYS A 91 -5.164 26.532 -6.232 1.00 0.00 N ATOM 682 CA LYS A 91 -4.688 27.397 -7.331 1.00 0.00 C ATOM 683 C LYS A 91 -5.698 28.492 -7.698 1.00 0.00 C ATOM 684 O LYS A 91 -5.287 29.625 -7.940 1.00 0.00 O ATOM 685 CB LYS A 91 -4.268 26.529 -8.538 1.00 0.00 C ATOM 686 CG LYS A 91 -3.563 27.296 -9.670 1.00 0.00 C ATOM 687 CD LYS A 91 -4.506 27.749 -10.796 1.00 0.00 C ATOM 688 CE LYS A 91 -3.691 28.439 -11.903 1.00 0.00 C ATOM 689 NZ LYS A 91 -4.551 28.871 -13.043 1.00 0.00 N ATOM 0 H LYS A 91 -5.227 25.551 -6.503 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.806 27.937 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.605 25.739 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.155 26.044 -8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.068 28.171 -9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.784 26.663 -10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.040 26.891 -11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.257 28.434 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.177 29.306 -11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.923 27.757 -12.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.963 29.331 -13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.022 28.041 -13.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.268 29.542 -12.702 1.00 0.00 H new ATOM 703 N LYS A 92 -7.008 28.202 -7.685 1.00 0.00 N ATOM 704 CA LYS A 92 -8.061 29.222 -7.884 1.00 0.00 C ATOM 705 C LYS A 92 -8.107 30.244 -6.738 1.00 0.00 C ATOM 706 O LYS A 92 -8.295 31.433 -7.006 1.00 0.00 O ATOM 707 CB LYS A 92 -9.431 28.551 -8.081 1.00 0.00 C ATOM 708 CG LYS A 92 -9.522 27.832 -9.437 1.00 0.00 C ATOM 709 CD LYS A 92 -10.784 26.955 -9.532 1.00 0.00 C ATOM 710 CE LYS A 92 -10.546 25.688 -10.369 1.00 0.00 C ATOM 711 NZ LYS A 92 -10.265 25.966 -11.806 1.00 0.00 N ATOM 0 H LYS A 92 -7.371 27.260 -7.537 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.810 29.776 -8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.605 27.835 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.217 29.303 -8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -9.529 28.569 -10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.637 27.213 -9.581 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -11.104 26.672 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.595 27.534 -9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.709 25.134 -9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.423 25.045 -10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.982 25.085 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.121 26.345 -12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.496 26.662 -11.881 1.00 0.00 H new ATOM 725 N SER A 93 -7.888 29.823 -5.486 1.00 0.00 N ATOM 726 CA SER A 93 -7.789 30.751 -4.338 1.00 0.00 C ATOM 727 C SER A 93 -6.447 31.507 -4.236 1.00 0.00 C ATOM 728 O SER A 93 -6.423 32.679 -3.854 1.00 0.00 O ATOM 729 CB SER A 93 -8.036 30.000 -3.025 1.00 0.00 C ATOM 730 OG SER A 93 -9.364 29.495 -2.984 1.00 0.00 O ATOM 0 H SER A 93 -7.775 28.841 -5.235 1.00 0.00 H new ATOM 0 HA SER A 93 -8.558 31.503 -4.514 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.325 29.179 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.868 30.668 -2.180 1.00 0.00 H new ATOM 0 HG SER A 93 -9.506 29.017 -2.141 1.00 0.00 H new ATOM 736 N ASP A 94 -5.332 30.854 -4.574 1.00 0.00 N ATOM 737 CA ASP A 94 -3.940 31.258 -4.346 1.00 0.00 C ATOM 738 C ASP A 94 -3.026 30.611 -5.423 1.00 0.00 C ATOM 739 O ASP A 94 -2.729 29.415 -5.354 1.00 0.00 O ATOM 740 CB ASP A 94 -3.498 30.802 -2.941 1.00 0.00 C ATOM 741 CG ASP A 94 -4.122 31.649 -1.820 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.674 32.804 -1.618 1.00 0.00 O ATOM 743 OD2 ASP A 94 -5.030 31.154 -1.109 1.00 0.00 O ATOM 0 H ASP A 94 -5.383 29.955 -5.054 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.859 32.343 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.775 29.757 -2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.412 30.857 -2.871 1.00 0.00 H new ATOM 748 N PRO A 95 -2.556 31.366 -6.434 1.00 0.00 N ATOM 749 CA PRO A 95 -2.055 30.820 -7.707 1.00 0.00 C ATOM 750 C PRO A 95 -0.674 30.135 -7.670 1.00 0.00 C ATOM 751 O PRO A 95 -0.299 29.468 -8.635 1.00 0.00 O ATOM 752 CB PRO A 95 -2.044 32.021 -8.665 1.00 0.00 C ATOM 753 CG PRO A 95 -1.838 33.204 -7.722 1.00 0.00 C ATOM 754 CD PRO A 95 -2.703 32.807 -6.536 1.00 0.00 C ATOM 0 HA PRO A 95 -2.706 30.001 -8.013 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.242 31.945 -9.400 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.978 32.104 -9.220 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.792 33.327 -7.442 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.162 34.144 -8.168 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.374 33.304 -5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.744 33.088 -6.694 1.00 0.00 H new ATOM 762 N TRP A 96 0.097 30.299 -6.590 1.00 0.00 N ATOM 763 CA TRP A 96 1.497 29.857 -6.493 1.00 0.00 C ATOM 764 C TRP A 96 1.712 28.329 -6.484 1.00 0.00 C ATOM 765 O TRP A 96 2.818 27.876 -6.787 1.00 0.00 O ATOM 766 CB TRP A 96 2.107 30.430 -5.204 1.00 0.00 C ATOM 767 CG TRP A 96 1.639 29.749 -3.951 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.418 29.888 -3.392 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.326 28.734 -3.154 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.305 29.052 -2.297 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.449 28.304 -2.114 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.593 28.112 -3.227 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.810 27.316 -1.185 1.00 0.00 C ATOM 774 CZ3 TRP A 96 3.965 27.114 -2.302 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.079 26.719 -1.282 1.00 0.00 C ATOM 0 H TRP A 96 -0.239 30.752 -5.740 1.00 0.00 H new ATOM 0 HA TRP A 96 1.980 30.225 -7.398 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.193 30.353 -5.263 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.865 31.491 -5.140 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.355 30.553 -3.747 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.520 28.996 -1.700 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.286 28.405 -4.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.123 27.019 -0.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.937 26.649 -2.377 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.374 25.958 -0.575 1.00 0.00 H new ATOM 786 N LEU A 97 0.707 27.538 -6.076 1.00 0.00 N ATOM 787 CA LEU A 97 0.906 26.149 -5.655 1.00 0.00 C ATOM 788 C LEU A 97 1.389 25.229 -6.799 1.00 0.00 C ATOM 789 O LEU A 97 0.919 25.338 -7.935 1.00 0.00 O ATOM 790 CB LEU A 97 -0.404 25.638 -5.022 1.00 0.00 C ATOM 791 CG LEU A 97 -0.299 24.255 -4.351 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.615 24.265 -3.124 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.681 23.807 -3.904 1.00 0.00 C ATOM 0 H LEU A 97 -0.264 27.846 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 97 1.709 26.123 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.739 26.362 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.172 25.594 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 97 0.125 23.574 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.653 23.266 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.619 24.570 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.226 24.966 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.610 22.829 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.085 24.528 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.340 23.743 -4.770 1.00 0.00 H new ATOM 805 N ARG A 98 2.276 24.267 -6.492 1.00 0.00 N ATOM 806 CA ARG A 98 2.728 23.202 -7.420 1.00 0.00 C ATOM 807 C ARG A 98 1.889 21.921 -7.274 1.00 0.00 C ATOM 808 O ARG A 98 1.432 21.594 -6.177 1.00 0.00 O ATOM 809 CB ARG A 98 4.229 22.901 -7.214 1.00 0.00 C ATOM 810 CG ARG A 98 5.197 23.896 -7.880 1.00 0.00 C ATOM 811 CD ARG A 98 5.131 25.323 -7.319 1.00 0.00 C ATOM 812 NE ARG A 98 6.177 26.186 -7.912 1.00 0.00 N ATOM 813 CZ ARG A 98 7.421 26.355 -7.497 1.00 0.00 C ATOM 814 NH1 ARG A 98 7.906 25.725 -6.463 1.00 0.00 N ATOM 815 NH2 ARG A 98 8.215 27.171 -8.128 1.00 0.00 N ATOM 0 H ARG A 98 2.712 24.202 -5.572 1.00 0.00 H new ATOM 0 HA ARG A 98 2.583 23.570 -8.436 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.435 22.880 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.439 21.903 -7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.215 23.522 -7.769 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.985 23.929 -8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.148 25.749 -7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.251 25.296 -6.236 1.00 0.00 H new ATOM 0 HE ARG A 98 5.905 26.714 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.320 25.073 -5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.872 25.884 -6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.878 27.681 -8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.174 27.300 -7.806 1.00 0.00 H new ATOM 829 N LEU A 99 1.701 21.193 -8.379 1.00 0.00 N ATOM 830 CA LEU A 99 0.952 19.929 -8.452 1.00 0.00 C ATOM 831 C LEU A 99 1.950 18.745 -8.496 1.00 0.00 C ATOM 832 O LEU A 99 2.730 18.634 -9.445 1.00 0.00 O ATOM 833 CB LEU A 99 0.036 19.997 -9.697 1.00 0.00 C ATOM 834 CG LEU A 99 -1.164 19.029 -9.784 1.00 0.00 C ATOM 835 CD1 LEU A 99 -1.759 19.103 -11.193 1.00 0.00 C ATOM 836 CD2 LEU A 99 -0.809 17.582 -9.514 1.00 0.00 C ATOM 0 H LEU A 99 2.080 21.476 -9.283 1.00 0.00 H new ATOM 0 HA LEU A 99 0.324 19.774 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.352 21.013 -9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.659 19.832 -10.576 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.866 19.345 -9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.608 18.423 -11.266 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.092 20.121 -11.394 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.002 18.818 -11.923 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.705 16.967 -9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.072 17.246 -10.243 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.394 17.490 -8.510 1.00 0.00 H new ATOM 848 N ASP A 100 1.918 17.854 -7.497 1.00 0.00 N ATOM 849 CA ASP A 100 2.780 16.658 -7.418 1.00 0.00 C ATOM 850 C ASP A 100 1.974 15.397 -7.043 1.00 0.00 C ATOM 851 O ASP A 100 1.416 15.308 -5.949 1.00 0.00 O ATOM 852 CB ASP A 100 3.914 16.897 -6.409 1.00 0.00 C ATOM 853 CG ASP A 100 4.954 17.907 -6.927 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.804 17.517 -7.765 1.00 0.00 O ATOM 855 OD2 ASP A 100 4.951 19.077 -6.475 1.00 0.00 O ATOM 0 H ASP A 100 1.282 17.942 -6.704 1.00 0.00 H new ATOM 0 HA ASP A 100 3.209 16.485 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.493 17.261 -5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.408 15.950 -6.190 1.00 0.00 H new ATOM 860 N MET A 101 1.908 14.420 -7.959 1.00 0.00 N ATOM 861 CA MET A 101 1.150 13.161 -7.797 1.00 0.00 C ATOM 862 C MET A 101 1.769 11.981 -8.575 1.00 0.00 C ATOM 863 O MET A 101 1.094 11.227 -9.278 1.00 0.00 O ATOM 864 CB MET A 101 -0.364 13.378 -8.040 1.00 0.00 C ATOM 865 CG MET A 101 -0.780 14.345 -9.146 1.00 0.00 C ATOM 866 SD MET A 101 -0.704 13.733 -10.847 1.00 0.00 S ATOM 867 CE MET A 101 -1.971 14.810 -11.578 1.00 0.00 C ATOM 0 H MET A 101 2.390 14.480 -8.856 1.00 0.00 H new ATOM 0 HA MET A 101 1.236 12.854 -6.755 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.810 12.408 -8.259 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.805 13.728 -7.107 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.802 14.666 -8.947 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.148 15.231 -9.076 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.214 14.458 -12.580 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.868 14.789 -10.959 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.593 15.831 -11.634 1.00 0.00 H new ATOM 877 N SER A 102 3.082 11.801 -8.394 1.00 0.00 N ATOM 878 CA SER A 102 3.763 10.533 -8.700 1.00 0.00 C ATOM 879 C SER A 102 3.255 9.408 -7.784 1.00 0.00 C ATOM 880 O SER A 102 2.777 9.664 -6.676 1.00 0.00 O ATOM 881 CB SER A 102 5.281 10.717 -8.563 1.00 0.00 C ATOM 882 OG SER A 102 5.969 9.538 -8.948 1.00 0.00 O ATOM 0 H SER A 102 3.703 12.526 -8.033 1.00 0.00 H new ATOM 0 HA SER A 102 3.538 10.246 -9.727 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.608 11.552 -9.182 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.530 10.968 -7.532 1.00 0.00 H new ATOM 0 HG SER A 102 6.935 9.677 -8.855 1.00 0.00 H new ATOM 888 N ASP A 103 3.394 8.151 -8.202 1.00 0.00 N ATOM 889 CA ASP A 103 2.952 6.973 -7.441 1.00 0.00 C ATOM 890 C ASP A 103 3.486 6.979 -5.996 1.00 0.00 C ATOM 891 O ASP A 103 2.735 6.719 -5.057 1.00 0.00 O ATOM 892 CB ASP A 103 3.402 5.704 -8.177 1.00 0.00 C ATOM 893 CG ASP A 103 2.705 5.557 -9.539 1.00 0.00 C ATOM 894 OD1 ASP A 103 1.543 5.085 -9.581 1.00 0.00 O ATOM 895 OD2 ASP A 103 3.323 5.904 -10.575 1.00 0.00 O ATOM 0 H ASP A 103 3.825 7.913 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 103 1.864 6.998 -7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.482 5.732 -8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.185 4.831 -7.562 1.00 0.00 H new ATOM 900 N LYS A 104 4.741 7.410 -5.797 1.00 0.00 N ATOM 901 CA LYS A 104 5.346 7.591 -4.464 1.00 0.00 C ATOM 902 C LYS A 104 4.630 8.652 -3.617 1.00 0.00 C ATOM 903 O LYS A 104 4.449 8.442 -2.420 1.00 0.00 O ATOM 904 CB LYS A 104 6.843 7.925 -4.607 1.00 0.00 C ATOM 905 CG LYS A 104 7.642 6.753 -5.202 1.00 0.00 C ATOM 906 CD LYS A 104 9.141 7.085 -5.266 1.00 0.00 C ATOM 907 CE LYS A 104 9.921 5.900 -5.854 1.00 0.00 C ATOM 908 NZ LYS A 104 11.381 6.186 -5.926 1.00 0.00 N ATOM 0 H LYS A 104 5.372 7.646 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 104 5.232 6.648 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.959 8.803 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.252 8.183 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.489 5.860 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.273 6.527 -6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.299 7.973 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.513 7.315 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.753 5.014 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.544 5.675 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.876 5.364 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.543 7.017 -6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.745 6.376 -4.971 1.00 0.00 H new ATOM 922 N ALA A 105 4.152 9.748 -4.220 1.00 0.00 N ATOM 923 CA ALA A 105 3.327 10.749 -3.536 1.00 0.00 C ATOM 924 C ALA A 105 1.965 10.170 -3.130 1.00 0.00 C ATOM 925 O ALA A 105 1.498 10.421 -2.017 1.00 0.00 O ATOM 926 CB ALA A 105 3.200 11.999 -4.416 1.00 0.00 C ATOM 0 H ALA A 105 4.328 9.965 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 105 3.815 11.043 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.587 12.742 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.190 12.414 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.733 11.731 -5.364 1.00 0.00 H new ATOM 932 N ILE A 106 1.370 9.324 -3.981 1.00 0.00 N ATOM 933 CA ILE A 106 0.095 8.661 -3.651 1.00 0.00 C ATOM 934 C ILE A 106 0.293 7.688 -2.494 1.00 0.00 C ATOM 935 O ILE A 106 -0.456 7.757 -1.525 1.00 0.00 O ATOM 936 CB ILE A 106 -0.557 8.009 -4.895 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.323 9.067 -5.711 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.572 6.900 -4.548 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.433 10.171 -6.270 1.00 0.00 C ATOM 0 H ILE A 106 1.745 9.082 -4.898 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.616 9.417 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 106 0.269 7.571 -5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.838 8.574 -6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.090 9.515 -5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.989 6.488 -5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.070 6.109 -3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.375 7.318 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.041 10.879 -6.833 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.062 10.690 -5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.318 9.735 -6.929 1.00 0.00 H new ATOM 951 N PHE A 107 1.321 6.841 -2.535 1.00 0.00 N ATOM 952 CA PHE A 107 1.543 5.856 -1.462 1.00 0.00 C ATOM 953 C PHE A 107 1.977 6.520 -0.140 1.00 0.00 C ATOM 954 O PHE A 107 1.643 6.022 0.937 1.00 0.00 O ATOM 955 CB PHE A 107 2.526 4.752 -1.886 1.00 0.00 C ATOM 956 CG PHE A 107 2.285 4.143 -3.254 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.976 4.004 -3.745 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.370 3.716 -4.043 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.753 3.512 -5.036 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.144 3.180 -5.324 1.00 0.00 C ATOM 961 CZ PHE A 107 1.833 3.089 -5.829 1.00 0.00 C ATOM 0 H PHE A 107 2.009 6.812 -3.287 1.00 0.00 H new ATOM 0 HA PHE A 107 0.580 5.379 -1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.535 5.163 -1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.490 3.955 -1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.137 4.278 -3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.378 3.800 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.253 3.457 -5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.977 2.838 -5.920 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.659 2.696 -6.820 1.00 0.00 H new ATOM 971 N ARG A 108 2.668 7.673 -0.194 1.00 0.00 N ATOM 972 CA ARG A 108 3.052 8.457 0.995 1.00 0.00 C ATOM 973 C ARG A 108 1.880 9.217 1.626 1.00 0.00 C ATOM 974 O ARG A 108 1.837 9.314 2.854 1.00 0.00 O ATOM 975 CB ARG A 108 4.229 9.385 0.629 1.00 0.00 C ATOM 976 CG ARG A 108 4.719 10.284 1.778 1.00 0.00 C ATOM 977 CD ARG A 108 5.185 9.502 3.017 1.00 0.00 C ATOM 978 NE ARG A 108 5.463 10.406 4.150 1.00 0.00 N ATOM 979 CZ ARG A 108 4.604 10.848 5.056 1.00 0.00 C ATOM 980 NH1 ARG A 108 3.329 10.571 5.017 1.00 0.00 N ATOM 981 NH2 ARG A 108 5.023 11.593 6.039 1.00 0.00 N ATOM 0 H ARG A 108 2.978 8.091 -1.071 1.00 0.00 H new ATOM 0 HA ARG A 108 3.374 7.762 1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.062 8.773 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.929 10.017 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 108 5.542 10.902 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 108 3.915 10.960 2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 108 4.419 8.781 3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 108 6.083 8.933 2.774 1.00 0.00 H new ATOM 0 HE ARG A 108 6.426 10.727 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 108 2.956 9.991 4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 108 2.706 10.935 5.738 1.00 0.00 H new ATOM 0 HH21 ARG A 108 6.011 11.835 6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 108 4.363 11.934 6.738 1.00 0.00 H new ATOM 995 N ARG A 109 0.935 9.741 0.832 1.00 0.00 N ATOM 996 CA ARG A 109 -0.292 10.394 1.338 1.00 0.00 C ATOM 997 C ARG A 109 -1.347 9.368 1.786 1.00 0.00 C ATOM 998 O ARG A 109 -1.997 9.558 2.813 1.00 0.00 O ATOM 999 CB ARG A 109 -0.832 11.366 0.266 1.00 0.00 C ATOM 1000 CG ARG A 109 -2.030 12.179 0.786 1.00 0.00 C ATOM 1001 CD ARG A 109 -2.655 13.111 -0.260 1.00 0.00 C ATOM 1002 NE ARG A 109 -2.033 14.450 -0.309 1.00 0.00 N ATOM 1003 CZ ARG A 109 -2.668 15.583 -0.576 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -3.929 15.638 -0.884 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -2.074 16.737 -0.548 1.00 0.00 N ATOM 0 H ARG A 109 0.996 9.726 -0.186 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.045 10.968 2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.037 12.046 -0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.131 10.803 -0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.794 11.490 1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.708 12.774 1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.574 12.646 -1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.718 13.221 -0.046 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.032 14.508 -0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.481 14.781 -0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.367 16.538 -1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.083 16.795 -0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -2.598 17.586 -0.760 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.486 8.279 1.029 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.524 7.255 1.165 1.00 0.00 C ATOM 1021 C TYR A 110 -1.882 5.846 1.259 1.00 0.00 C ATOM 1022 O TYR A 110 -1.647 5.196 0.234 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.485 7.382 -0.029 1.00 0.00 C ATOM 1024 CG TYR A 110 -4.068 8.762 -0.282 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.951 9.340 0.648 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.774 9.443 -1.479 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.584 10.568 0.360 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.415 10.662 -1.778 1.00 0.00 C ATOM 1029 CZ TYR A 110 -5.333 11.221 -0.866 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.939 12.406 -1.161 1.00 0.00 O ATOM 0 H TYR A 110 -0.843 8.076 0.263 1.00 0.00 H new ATOM 0 HA TYR A 110 -3.090 7.399 2.085 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.957 7.064 -0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.309 6.685 0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.145 8.842 1.586 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -3.055 9.030 -2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -6.260 11.008 1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -4.202 11.169 -2.708 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.648 12.711 -2.046 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.564 5.352 2.474 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.693 4.184 2.665 1.00 0.00 C ATOM 1042 C PRO A 111 -1.312 2.836 2.260 1.00 0.00 C ATOM 1043 O PRO A 111 -0.590 1.845 2.139 1.00 0.00 O ATOM 1044 CB PRO A 111 -0.303 4.215 4.148 1.00 0.00 C ATOM 1045 CG PRO A 111 -1.485 4.918 4.812 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.885 5.953 3.763 1.00 0.00 C ATOM 0 HA PRO A 111 0.167 4.256 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -0.158 3.211 4.546 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.628 4.759 4.307 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -2.298 4.226 5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -1.202 5.385 5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.947 6.190 3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.341 6.886 3.906 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.627 2.777 2.024 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.339 1.560 1.618 1.00 0.00 C ATOM 1056 C HIS A 112 -3.268 1.254 0.105 1.00 0.00 C ATOM 1057 O HIS A 112 -3.742 0.194 -0.310 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.779 1.627 2.150 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.620 2.719 1.542 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.401 4.091 1.693 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.668 2.522 0.691 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.334 4.686 0.933 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.118 3.774 0.339 1.00 0.00 N ATOM 0 H HIS A 112 -3.238 3.589 2.111 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.827 0.709 2.067 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.265 0.668 1.969 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.747 1.769 3.230 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.065 1.574 0.360 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.439 5.754 0.816 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.912 3.974 -0.269 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.678 2.136 -0.721 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.620 1.960 -2.188 1.00 0.00 C ATOM 1073 C LEU A 113 -1.421 1.126 -2.690 1.00 0.00 C ATOM 1074 O LEU A 113 -1.499 0.605 -3.809 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.708 3.323 -2.922 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.110 3.952 -3.086 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.123 3.048 -3.785 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.707 4.316 -1.745 1.00 0.00 C ATOM 0 H LEU A 113 -2.228 2.991 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.500 1.368 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.080 4.035 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.276 3.200 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.935 4.831 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.080 3.564 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.763 2.803 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.249 2.131 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.693 4.756 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.798 3.419 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.061 5.035 -1.242 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.343 0.963 -1.905 1.00 0.00 N ATOM 1091 CA ARG A 114 0.716 -0.042 -2.145 1.00 0.00 C ATOM 1092 C ARG A 114 1.273 -0.589 -0.820 1.00 0.00 C ATOM 1093 O ARG A 114 1.984 0.143 -0.096 1.00 0.00 O ATOM 1094 CB ARG A 114 1.810 0.549 -3.062 1.00 0.00 C ATOM 1095 CG ARG A 114 2.591 -0.477 -3.901 1.00 0.00 C ATOM 1096 CD ARG A 114 3.359 -1.529 -3.094 1.00 0.00 C ATOM 1097 NE ARG A 114 4.111 -2.437 -3.983 1.00 0.00 N ATOM 1098 CZ ARG A 114 4.498 -3.670 -3.713 1.00 0.00 C ATOM 1099 NH1 ARG A 114 4.268 -4.234 -2.561 1.00 0.00 N ATOM 1100 NH2 ARG A 114 5.132 -4.371 -4.608 1.00 0.00 N ATOM 1101 OXT ARG A 114 0.975 -1.765 -0.503 1.00 0.00 O ATOM 0 H ARG A 114 -0.177 1.531 -1.074 1.00 0.00 H new ATOM 0 HA ARG A 114 0.286 -0.897 -2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.345 1.267 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.518 1.103 -2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.892 -0.989 -4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.297 0.058 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.047 -1.035 -2.408 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.662 -2.105 -2.486 1.00 0.00 H new ATOM 0 HE ARG A 114 4.358 -2.073 -4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.774 -3.721 -1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 114 4.582 -5.189 -2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.332 -3.968 -5.523 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.429 -5.323 -4.394 1.00 0.00 H new