USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 551 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 Set 1.1: A 35 SER OG : rot 160:sc= -0.149 USER MOD Set 1.2: A 69 MET CE :methyl 130:sc= -1.07 (180deg=-1.65) USER MOD Single : A 22 ASN : amide:sc= -0.0541 K(o=-0.054,f=-1.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= -0.0625 (180deg=-0.342) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -106:sc= 0.111 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -155:sc= -2.64 (180deg=-5.26!) USER MOD Single : A 70 ASN : amide:sc= -0.242 K(o=-0.24,f=-0.75) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.570 9.395 0.197 1.00 0.00 N ATOM 211 CA VAL A 17 3.420 8.266 0.552 1.00 0.00 C ATOM 212 C VAL A 17 2.613 7.158 1.217 1.00 0.00 C ATOM 213 O VAL A 17 2.062 7.341 2.304 1.00 0.00 O ATOM 214 CB VAL A 17 4.558 8.695 1.497 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.527 7.545 1.722 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.281 9.912 0.941 1.00 0.00 C ATOM 0 HA VAL A 17 3.851 7.891 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 17 4.125 8.967 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.324 7.867 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.996 6.704 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.956 7.239 0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.082 10.202 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.703 9.670 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.577 10.738 0.837 1.00 0.00 H new ATOM 226 N LEU A 18 2.546 6.005 0.559 1.00 0.00 N ATOM 227 CA LEU A 18 1.805 4.865 1.087 1.00 0.00 C ATOM 228 C LEU A 18 2.698 3.995 1.966 1.00 0.00 C ATOM 229 O LEU A 18 3.840 3.702 1.611 1.00 0.00 O ATOM 230 CB LEU A 18 1.231 4.030 -0.060 1.00 0.00 C ATOM 231 CG LEU A 18 0.651 4.815 -1.236 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.295 3.877 -2.379 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.569 5.612 -0.797 1.00 0.00 C ATOM 0 H LEU A 18 2.996 5.835 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 18 0.986 5.246 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.019 3.378 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.449 3.386 0.342 1.00 0.00 H new ATOM 0 HG LEU A 18 1.408 5.515 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.117 4.453 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.191 3.352 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.445 3.152 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.968 6.164 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.331 4.931 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.283 6.312 -0.012 1.00 0.00 H new ATOM 245 N PHE A 19 2.170 3.584 3.113 1.00 0.00 N ATOM 246 CA PHE A 19 2.919 2.747 4.044 1.00 0.00 C ATOM 247 C PHE A 19 2.497 1.286 3.921 1.00 0.00 C ATOM 248 O PHE A 19 1.499 0.865 4.506 1.00 0.00 O ATOM 249 CB PHE A 19 2.711 3.231 5.480 1.00 0.00 C ATOM 250 CG PHE A 19 3.758 2.737 6.437 1.00 0.00 C ATOM 251 CD1 PHE A 19 5.104 2.944 6.180 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.396 2.064 7.594 1.00 0.00 C ATOM 253 CE1 PHE A 19 6.070 2.490 7.058 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.358 1.609 8.476 1.00 0.00 C ATOM 255 CZ PHE A 19 5.696 1.822 8.208 1.00 0.00 C ATOM 0 H PHE A 19 1.226 3.817 3.421 1.00 0.00 H new ATOM 0 HA PHE A 19 3.977 2.824 3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.706 4.321 5.490 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.730 2.904 5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.402 3.466 5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.351 1.894 7.808 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.116 2.657 6.845 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.063 1.087 9.374 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.449 1.467 8.896 1.00 0.00 H new ATOM 265 N VAL A 20 3.264 0.516 3.155 1.00 0.00 N ATOM 266 CA VAL A 20 2.972 -0.898 2.954 1.00 0.00 C ATOM 267 C VAL A 20 3.601 -1.750 4.050 1.00 0.00 C ATOM 268 O VAL A 20 4.825 -1.848 4.149 1.00 0.00 O ATOM 269 CB VAL A 20 3.477 -1.387 1.584 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.997 -2.805 1.314 1.00 0.00 C ATOM 271 CG2 VAL A 20 3.024 -0.442 0.481 1.00 0.00 C ATOM 0 H VAL A 20 4.093 0.849 2.663 1.00 0.00 H new ATOM 0 HA VAL A 20 1.888 -1.006 2.992 1.00 0.00 H new ATOM 0 HB VAL A 20 4.567 -1.395 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.363 -3.134 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.376 -3.471 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.907 -2.827 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.390 -0.803 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.935 -0.400 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.422 0.555 0.670 1.00 0.00 H new ATOM 281 N ARG A 21 2.757 -2.366 4.872 1.00 0.00 N ATOM 282 CA ARG A 21 3.231 -3.210 5.962 1.00 0.00 C ATOM 283 C ARG A 21 3.052 -4.687 5.624 1.00 0.00 C ATOM 284 O ARG A 21 2.409 -5.032 4.633 1.00 0.00 O ATOM 285 CB ARG A 21 2.484 -2.878 7.255 1.00 0.00 C ATOM 286 CG ARG A 21 3.389 -2.390 8.374 1.00 0.00 C ATOM 287 CD ARG A 21 2.755 -2.607 9.738 1.00 0.00 C ATOM 288 NE ARG A 21 3.698 -3.176 10.697 1.00 0.00 N ATOM 289 CZ ARG A 21 4.707 -2.494 11.227 1.00 0.00 C ATOM 290 NH1 ARG A 21 4.904 -1.226 10.893 1.00 0.00 N ATOM 291 NH2 ARG A 21 5.524 -3.082 12.093 1.00 0.00 N ATOM 0 H ARG A 21 1.742 -2.296 4.804 1.00 0.00 H new ATOM 0 HA ARG A 21 4.294 -3.014 6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.735 -2.114 7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.949 -3.765 7.593 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.343 -2.916 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.602 -1.330 8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.380 -1.657 10.119 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.896 -3.271 9.637 1.00 0.00 H new ATOM 0 HE ARG A 21 3.575 -4.150 10.975 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.280 -0.771 10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.680 -0.705 11.302 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.377 -4.058 12.351 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.299 -2.558 12.500 1.00 0.00 H new ATOM 305 N ASN A 22 3.626 -5.553 6.452 1.00 0.00 N ATOM 306 CA ASN A 22 3.530 -6.993 6.239 1.00 0.00 C ATOM 307 C ASN A 22 3.979 -7.366 4.831 1.00 0.00 C ATOM 308 O ASN A 22 3.156 -7.656 3.961 1.00 0.00 O ATOM 309 CB ASN A 22 2.095 -7.469 6.473 1.00 0.00 C ATOM 310 CG ASN A 22 1.704 -7.432 7.937 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.155 -6.569 8.691 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.861 -8.371 8.349 1.00 0.00 N ATOM 0 H ASN A 22 4.162 -5.283 7.277 1.00 0.00 H new ATOM 0 HA ASN A 22 4.190 -7.486 6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.410 -6.843 5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.987 -8.486 6.097 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.563 -8.396 9.324 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.512 -9.067 7.690 1.00 0.00 H new ATOM 319 N LEU A 23 5.289 -7.357 4.611 1.00 0.00 N ATOM 320 CA LEU A 23 5.849 -7.695 3.308 1.00 0.00 C ATOM 321 C LEU A 23 6.395 -9.119 3.303 1.00 0.00 C ATOM 322 O LEU A 23 6.367 -9.809 4.321 1.00 0.00 O ATOM 323 CB LEU A 23 6.959 -6.710 2.936 1.00 0.00 C ATOM 324 CG LEU A 23 6.517 -5.453 2.187 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.402 -4.746 2.942 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.697 -4.516 1.974 1.00 0.00 C ATOM 0 H LEU A 23 5.984 -7.119 5.319 1.00 0.00 H new ATOM 0 HA LEU A 23 5.050 -7.629 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.467 -6.404 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.693 -7.234 2.324 1.00 0.00 H new ATOM 0 HG LEU A 23 6.135 -5.751 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.100 -3.854 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.548 -5.416 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.757 -4.461 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.363 -3.627 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.110 -4.225 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.464 -5.024 1.390 1.00 0.00 H new ATOM 338 N ALA A 24 6.894 -9.552 2.149 1.00 0.00 N ATOM 339 CA ALA A 24 7.451 -10.893 2.012 1.00 0.00 C ATOM 340 C ALA A 24 8.975 -10.854 1.993 1.00 0.00 C ATOM 341 O ALA A 24 9.577 -9.898 1.504 1.00 0.00 O ATOM 342 CB ALA A 24 6.921 -11.557 0.751 1.00 0.00 C ATOM 0 H ALA A 24 6.924 -8.994 1.296 1.00 0.00 H new ATOM 0 HA ALA A 24 7.140 -11.480 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.345 -12.557 0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.835 -11.627 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.203 -10.964 -0.119 1.00 0.00 H new ATOM 348 N THR A 25 9.595 -11.901 2.530 1.00 0.00 N ATOM 349 CA THR A 25 11.050 -11.986 2.575 1.00 0.00 C ATOM 350 C THR A 25 11.610 -12.542 1.271 1.00 0.00 C ATOM 351 O THR A 25 12.760 -12.283 0.915 1.00 0.00 O ATOM 352 CB THR A 25 11.524 -12.872 3.743 1.00 0.00 C ATOM 353 OG1 THR A 25 10.896 -12.454 4.961 1.00 0.00 O ATOM 354 CG2 THR A 25 13.036 -12.803 3.896 1.00 0.00 C ATOM 0 H THR A 25 9.113 -12.701 2.939 1.00 0.00 H new ATOM 0 HA THR A 25 11.421 -10.972 2.723 1.00 0.00 H new ATOM 0 HB THR A 25 11.244 -13.903 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.201 -13.023 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.347 -13.436 4.727 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.511 -13.149 2.978 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.335 -11.774 4.093 1.00 0.00 H new ATOM 362 N THR A 26 10.789 -13.310 0.560 1.00 0.00 N ATOM 363 CA THR A 26 11.202 -13.904 -0.705 1.00 0.00 C ATOM 364 C THR A 26 11.121 -12.891 -1.840 1.00 0.00 C ATOM 365 O THR A 26 11.884 -12.959 -2.804 1.00 0.00 O ATOM 366 CB THR A 26 10.337 -15.127 -1.061 1.00 0.00 C ATOM 367 OG1 THR A 26 8.971 -14.878 -0.713 1.00 0.00 O ATOM 368 CG2 THR A 26 10.832 -16.370 -0.336 1.00 0.00 C ATOM 0 H THR A 26 9.834 -13.535 0.840 1.00 0.00 H new ATOM 0 HA THR A 26 12.236 -14.224 -0.580 1.00 0.00 H new ATOM 0 HB THR A 26 10.413 -15.298 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.427 -15.660 -0.944 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.205 -17.221 -0.603 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.863 -16.574 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.783 -16.207 0.741 1.00 0.00 H new ATOM 376 N VAL A 27 10.191 -11.948 -1.721 1.00 0.00 N ATOM 377 CA VAL A 27 10.012 -10.918 -2.737 1.00 0.00 C ATOM 378 C VAL A 27 11.190 -9.951 -2.755 1.00 0.00 C ATOM 379 O VAL A 27 11.960 -9.876 -1.797 1.00 0.00 O ATOM 380 CB VAL A 27 8.713 -10.122 -2.506 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.515 -11.057 -2.457 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.811 -9.302 -1.229 1.00 0.00 C ATOM 0 H VAL A 27 9.550 -11.877 -0.931 1.00 0.00 H new ATOM 0 HA VAL A 27 9.951 -11.429 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 27 8.575 -9.436 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.607 -10.477 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.436 -11.596 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.642 -11.769 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.885 -8.746 -1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.974 -9.967 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.644 -8.604 -1.308 1.00 0.00 H new ATOM 392 N THR A 28 11.327 -9.213 -3.852 1.00 0.00 N ATOM 393 CA THR A 28 12.412 -8.252 -3.995 1.00 0.00 C ATOM 394 C THR A 28 11.877 -6.863 -4.326 1.00 0.00 C ATOM 395 O THR A 28 10.718 -6.711 -4.710 1.00 0.00 O ATOM 396 CB THR A 28 13.403 -8.682 -5.094 1.00 0.00 C ATOM 397 OG1 THR A 28 14.513 -7.779 -5.134 1.00 0.00 O ATOM 398 CG2 THR A 28 12.721 -8.717 -6.454 1.00 0.00 C ATOM 0 H THR A 28 10.699 -9.263 -4.654 1.00 0.00 H new ATOM 0 HA THR A 28 12.933 -8.220 -3.038 1.00 0.00 H new ATOM 0 HB THR A 28 13.760 -9.685 -4.858 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.139 -8.060 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.440 -9.023 -7.214 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.895 -9.428 -6.429 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.339 -7.725 -6.695 1.00 0.00 H new ATOM 406 N GLU A 29 12.729 -5.854 -4.175 1.00 0.00 N ATOM 407 CA GLU A 29 12.339 -4.477 -4.457 1.00 0.00 C ATOM 408 C GLU A 29 11.824 -4.340 -5.888 1.00 0.00 C ATOM 409 O GLU A 29 11.008 -3.467 -6.182 1.00 0.00 O ATOM 410 CB GLU A 29 13.523 -3.533 -4.238 1.00 0.00 C ATOM 411 CG GLU A 29 13.711 -3.119 -2.788 1.00 0.00 C ATOM 412 CD GLU A 29 14.703 -1.984 -2.629 1.00 0.00 C ATOM 413 OE1 GLU A 29 14.434 -0.883 -3.154 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.749 -2.196 -1.981 1.00 0.00 O ATOM 0 H GLU A 29 13.693 -5.964 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 29 11.536 -4.206 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.434 -4.018 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.382 -2.640 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.750 -2.817 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.052 -3.978 -2.210 1.00 0.00 H new ATOM 421 N GLU A 30 12.306 -5.209 -6.769 1.00 0.00 N ATOM 422 CA GLU A 30 11.895 -5.184 -8.169 1.00 0.00 C ATOM 423 C GLU A 30 10.413 -5.517 -8.306 1.00 0.00 C ATOM 424 O GLU A 30 9.666 -4.808 -8.982 1.00 0.00 O ATOM 425 CB GLU A 30 12.729 -6.173 -8.985 1.00 0.00 C ATOM 426 CG GLU A 30 13.020 -5.700 -10.400 1.00 0.00 C ATOM 427 CD GLU A 30 13.796 -6.722 -11.209 1.00 0.00 C ATOM 428 OE1 GLU A 30 13.559 -7.933 -11.019 1.00 0.00 O ATOM 429 OE2 GLU A 30 14.639 -6.310 -12.033 1.00 0.00 O ATOM 0 H GLU A 30 12.981 -5.939 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 30 12.060 -4.177 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.672 -6.352 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.204 -7.127 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.080 -5.480 -10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.586 -4.769 -10.359 1.00 0.00 H new ATOM 436 N ILE A 31 9.993 -6.601 -7.660 1.00 0.00 N ATOM 437 CA ILE A 31 8.599 -7.027 -7.710 1.00 0.00 C ATOM 438 C ILE A 31 7.679 -5.965 -7.119 1.00 0.00 C ATOM 439 O ILE A 31 6.684 -5.578 -7.735 1.00 0.00 O ATOM 440 CB ILE A 31 8.390 -8.352 -6.953 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.282 -9.447 -7.542 1.00 0.00 C ATOM 442 CG2 ILE A 31 6.927 -8.766 -7.006 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.458 -10.638 -6.627 1.00 0.00 C ATOM 0 H ILE A 31 10.597 -7.199 -7.097 1.00 0.00 H new ATOM 0 HA ILE A 31 8.350 -7.175 -8.761 1.00 0.00 H new ATOM 0 HB ILE A 31 8.668 -8.206 -5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.854 -9.784 -8.486 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.261 -9.025 -7.768 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.795 -9.704 -6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.313 -7.992 -6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.624 -8.898 -8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.101 -11.375 -7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.914 -10.314 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.486 -11.085 -6.421 1.00 0.00 H new ATOM 455 N LEU A 32 8.016 -5.497 -5.922 1.00 0.00 N ATOM 456 CA LEU A 32 7.219 -4.478 -5.248 1.00 0.00 C ATOM 457 C LEU A 32 7.056 -3.243 -6.129 1.00 0.00 C ATOM 458 O LEU A 32 6.084 -2.500 -5.997 1.00 0.00 O ATOM 459 CB LEU A 32 7.872 -4.088 -3.920 1.00 0.00 C ATOM 460 CG LEU A 32 7.625 -5.036 -2.747 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.782 -4.978 -1.762 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.314 -4.696 -2.054 1.00 0.00 C ATOM 0 H LEU A 32 8.835 -5.807 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 32 6.231 -4.895 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.948 -4.009 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.516 -3.096 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 32 7.555 -6.053 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.589 -5.659 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.703 -5.271 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.884 -3.962 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.154 -5.381 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.355 -3.673 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.492 -4.790 -2.764 1.00 0.00 H new ATOM 474 N GLU A 33 8.011 -3.033 -7.028 1.00 0.00 N ATOM 475 CA GLU A 33 7.971 -1.890 -7.932 1.00 0.00 C ATOM 476 C GLU A 33 7.057 -2.168 -9.121 1.00 0.00 C ATOM 477 O GLU A 33 6.159 -1.381 -9.427 1.00 0.00 O ATOM 478 CB GLU A 33 9.380 -1.552 -8.426 1.00 0.00 C ATOM 479 CG GLU A 33 9.961 -0.297 -7.795 1.00 0.00 C ATOM 480 CD GLU A 33 11.271 0.124 -8.433 1.00 0.00 C ATOM 481 OE1 GLU A 33 11.242 0.603 -9.585 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.324 -0.027 -7.779 1.00 0.00 O ATOM 0 H GLU A 33 8.822 -3.639 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 33 7.573 -1.038 -7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.041 -2.393 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.356 -1.427 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.241 0.516 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.119 -0.470 -6.730 1.00 0.00 H new ATOM 489 N LYS A 34 7.291 -3.292 -9.790 1.00 0.00 N ATOM 490 CA LYS A 34 6.490 -3.676 -10.947 1.00 0.00 C ATOM 491 C LYS A 34 5.006 -3.708 -10.594 1.00 0.00 C ATOM 492 O LYS A 34 4.149 -3.520 -11.456 1.00 0.00 O ATOM 493 CB LYS A 34 6.931 -5.046 -11.466 1.00 0.00 C ATOM 494 CG LYS A 34 7.689 -4.983 -12.780 1.00 0.00 C ATOM 495 CD LYS A 34 8.945 -5.839 -12.741 1.00 0.00 C ATOM 496 CE LYS A 34 9.921 -5.445 -13.839 1.00 0.00 C ATOM 497 NZ LYS A 34 10.650 -6.626 -14.382 1.00 0.00 N ATOM 0 H LYS A 34 8.029 -3.954 -9.551 1.00 0.00 H new ATOM 0 HA LYS A 34 6.644 -2.932 -11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.561 -5.524 -10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.052 -5.677 -11.593 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.043 -5.320 -13.590 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.959 -3.949 -12.996 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.428 -5.735 -11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.675 -6.889 -12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.380 -4.950 -14.645 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.638 -4.724 -13.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.305 -6.317 -15.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.186 -7.084 -13.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.968 -7.302 -14.780 1.00 0.00 H new ATOM 511 N SER A 35 4.710 -3.944 -9.319 1.00 0.00 N ATOM 512 CA SER A 35 3.330 -4.003 -8.853 1.00 0.00 C ATOM 513 C SER A 35 2.658 -2.639 -8.972 1.00 0.00 C ATOM 514 O SER A 35 1.793 -2.433 -9.824 1.00 0.00 O ATOM 515 CB SER A 35 3.280 -4.484 -7.401 1.00 0.00 C ATOM 516 OG SER A 35 1.942 -4.642 -6.963 1.00 0.00 O ATOM 0 H SER A 35 5.408 -4.097 -8.591 1.00 0.00 H new ATOM 0 HA SER A 35 2.790 -4.711 -9.482 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.810 -5.432 -7.310 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.794 -3.768 -6.759 1.00 0.00 H new ATOM 0 HG SER A 35 1.921 -5.235 -6.183 1.00 0.00 H new ATOM 522 N PHE A 36 3.063 -1.709 -8.114 1.00 0.00 N ATOM 523 CA PHE A 36 2.501 -0.364 -8.121 1.00 0.00 C ATOM 524 C PHE A 36 2.750 0.322 -9.461 1.00 0.00 C ATOM 525 O PHE A 36 1.963 1.163 -9.896 1.00 0.00 O ATOM 526 CB PHE A 36 3.102 0.469 -6.988 1.00 0.00 C ATOM 527 CG PHE A 36 2.777 -0.055 -5.619 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.498 0.071 -5.100 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.749 -0.676 -4.851 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.195 -0.411 -3.841 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.451 -1.160 -3.592 1.00 0.00 C ATOM 532 CZ PHE A 36 2.173 -1.027 -3.085 1.00 0.00 C ATOM 0 H PHE A 36 3.779 -1.863 -7.404 1.00 0.00 H new ATOM 0 HA PHE A 36 1.425 -0.446 -7.970 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.185 0.502 -7.108 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.741 1.494 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.729 0.552 -5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.750 -0.783 -5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.194 -0.306 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.218 -1.643 -3.004 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.939 -1.404 -2.100 1.00 0.00 H new ATOM 542 N SER A 37 3.852 -0.041 -10.110 1.00 0.00 N ATOM 543 CA SER A 37 4.209 0.542 -11.397 1.00 0.00 C ATOM 544 C SER A 37 3.066 0.391 -12.397 1.00 0.00 C ATOM 545 O SER A 37 2.857 1.254 -13.249 1.00 0.00 O ATOM 546 CB SER A 37 5.474 -0.120 -11.948 1.00 0.00 C ATOM 547 OG SER A 37 5.806 0.398 -13.224 1.00 0.00 O ATOM 0 H SER A 37 4.513 -0.737 -9.765 1.00 0.00 H new ATOM 0 HA SER A 37 4.400 1.605 -11.246 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.303 0.043 -11.259 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.324 -1.197 -12.017 1.00 0.00 H new ATOM 0 HG SER A 37 6.618 -0.040 -13.554 1.00 0.00 H new ATOM 553 N GLU A 38 2.331 -0.710 -12.284 1.00 0.00 N ATOM 554 CA GLU A 38 1.210 -0.975 -13.179 1.00 0.00 C ATOM 555 C GLU A 38 0.114 0.073 -13.002 1.00 0.00 C ATOM 556 O GLU A 38 -0.659 0.339 -13.922 1.00 0.00 O ATOM 557 CB GLU A 38 0.642 -2.372 -12.921 1.00 0.00 C ATOM 558 CG GLU A 38 1.666 -3.484 -13.076 1.00 0.00 C ATOM 559 CD GLU A 38 1.273 -4.493 -14.137 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.064 -4.772 -14.275 1.00 0.00 O ATOM 561 OE2 GLU A 38 2.177 -5.006 -14.831 1.00 0.00 O ATOM 0 H GLU A 38 2.491 -1.433 -11.582 1.00 0.00 H new ATOM 0 HA GLU A 38 1.576 -0.924 -14.204 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.230 -2.407 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.184 -2.552 -13.609 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.632 -3.050 -13.332 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.789 -3.995 -12.121 1.00 0.00 H new ATOM 568 N PHE A 39 0.055 0.663 -11.814 1.00 0.00 N ATOM 569 CA PHE A 39 -0.946 1.680 -11.514 1.00 0.00 C ATOM 570 C PHE A 39 -0.496 3.050 -12.015 1.00 0.00 C ATOM 571 O PHE A 39 -1.236 3.740 -12.715 1.00 0.00 O ATOM 572 CB PHE A 39 -1.212 1.737 -10.008 1.00 0.00 C ATOM 573 CG PHE A 39 -1.926 0.526 -9.480 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.240 -0.657 -9.259 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.283 0.571 -9.202 1.00 0.00 C ATOM 576 CE1 PHE A 39 -1.894 -1.774 -8.773 1.00 0.00 C ATOM 577 CE2 PHE A 39 -3.942 -0.541 -8.716 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.247 -1.715 -8.500 1.00 0.00 C ATOM 0 H PHE A 39 0.689 0.455 -11.042 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.868 1.409 -12.028 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.263 1.847 -9.483 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.804 2.624 -9.785 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.182 -0.707 -9.469 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.832 1.487 -9.367 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.348 -2.691 -8.607 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.000 -0.493 -8.505 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.760 -2.585 -8.118 1.00 0.00 H new ATOM 588 N GLY A 40 0.721 3.437 -11.648 1.00 0.00 N ATOM 589 CA GLY A 40 1.250 4.722 -12.068 1.00 0.00 C ATOM 590 C GLY A 40 2.763 4.777 -12.000 1.00 0.00 C ATOM 591 O GLY A 40 3.393 3.946 -11.347 1.00 0.00 O ATOM 0 H GLY A 40 1.351 2.884 -11.067 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.928 4.928 -13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.832 5.507 -11.437 1.00 0.00 H new ATOM 595 N LYS A 41 3.348 5.759 -12.679 1.00 0.00 N ATOM 596 CA LYS A 41 4.797 5.920 -12.694 1.00 0.00 C ATOM 597 C LYS A 41 5.336 6.128 -11.282 1.00 0.00 C ATOM 598 O LYS A 41 5.204 7.211 -10.710 1.00 0.00 O ATOM 599 CB LYS A 41 5.190 7.104 -13.581 1.00 0.00 C ATOM 600 CG LYS A 41 5.825 6.692 -14.898 1.00 0.00 C ATOM 601 CD LYS A 41 7.103 5.901 -14.676 1.00 0.00 C ATOM 602 CE LYS A 41 7.880 5.721 -15.972 1.00 0.00 C ATOM 603 NZ LYS A 41 8.390 7.018 -16.497 1.00 0.00 N ATOM 0 H LYS A 41 2.841 6.455 -13.226 1.00 0.00 H new ATOM 0 HA LYS A 41 5.235 5.008 -13.100 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.303 7.703 -13.787 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.886 7.741 -13.035 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.119 6.091 -15.471 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.044 7.580 -15.491 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.727 6.414 -13.945 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.860 4.924 -14.258 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.717 5.043 -15.803 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.238 5.254 -16.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.161 6.840 -17.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.619 7.525 -16.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.746 7.596 -15.709 1.00 0.00 H new ATOM 617 N LEU A 42 5.946 5.087 -10.728 1.00 0.00 N ATOM 618 CA LEU A 42 6.507 5.156 -9.383 1.00 0.00 C ATOM 619 C LEU A 42 7.675 6.136 -9.331 1.00 0.00 C ATOM 620 O LEU A 42 8.117 6.645 -10.360 1.00 0.00 O ATOM 621 CB LEU A 42 6.969 3.770 -8.930 1.00 0.00 C ATOM 622 CG LEU A 42 5.881 2.702 -8.823 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.485 1.361 -8.436 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.818 3.120 -7.818 1.00 0.00 C ATOM 0 H LEU A 42 6.065 4.185 -11.189 1.00 0.00 H new ATOM 0 HA LEU A 42 5.728 5.511 -8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.729 3.417 -9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.450 3.869 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 42 5.407 2.596 -9.799 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.695 0.613 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.207 1.055 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.986 1.452 -7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.052 2.347 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.277 3.256 -6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.363 4.057 -8.139 1.00 0.00 H new ATOM 636 N GLU A 43 8.171 6.394 -8.124 1.00 0.00 N ATOM 637 CA GLU A 43 9.288 7.312 -7.939 1.00 0.00 C ATOM 638 C GLU A 43 10.510 6.579 -7.395 1.00 0.00 C ATOM 639 O GLU A 43 11.620 6.736 -7.904 1.00 0.00 O ATOM 640 CB GLU A 43 8.894 8.445 -6.987 1.00 0.00 C ATOM 641 CG GLU A 43 9.304 9.822 -7.480 1.00 0.00 C ATOM 642 CD GLU A 43 8.498 10.935 -6.837 1.00 0.00 C ATOM 643 OE1 GLU A 43 8.157 10.807 -5.643 1.00 0.00 O ATOM 644 OE2 GLU A 43 8.207 11.933 -7.530 1.00 0.00 O ATOM 0 H GLU A 43 7.817 5.980 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 43 9.542 7.735 -8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.814 8.427 -6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.350 8.266 -6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.363 9.978 -7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.181 9.868 -8.562 1.00 0.00 H new ATOM 651 N ARG A 44 10.299 5.776 -6.356 1.00 0.00 N ATOM 652 CA ARG A 44 11.382 5.019 -5.742 1.00 0.00 C ATOM 653 C ARG A 44 10.864 4.168 -4.586 1.00 0.00 C ATOM 654 O ARG A 44 9.967 4.581 -3.851 1.00 0.00 O ATOM 655 CB ARG A 44 12.475 5.967 -5.242 1.00 0.00 C ATOM 656 CG ARG A 44 13.884 5.481 -5.537 1.00 0.00 C ATOM 657 CD ARG A 44 14.231 5.642 -7.009 1.00 0.00 C ATOM 658 NE ARG A 44 15.630 5.319 -7.279 1.00 0.00 N ATOM 659 CZ ARG A 44 16.104 5.065 -8.494 1.00 0.00 C ATOM 660 NH1 ARG A 44 15.295 5.096 -9.545 1.00 0.00 N ATOM 661 NH2 ARG A 44 17.389 4.779 -8.660 1.00 0.00 N ATOM 0 H ARG A 44 9.387 5.634 -5.922 1.00 0.00 H new ATOM 0 HA ARG A 44 11.803 4.356 -6.498 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.334 6.945 -5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.364 6.101 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.597 6.039 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.976 4.433 -5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.588 4.996 -7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.029 6.667 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 44 16.278 5.287 -6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.307 5.315 -9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.661 4.901 -10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.014 4.754 -7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.752 4.584 -9.593 1.00 0.00 H new ATOM 675 N VAL A 45 11.435 2.977 -4.432 1.00 0.00 N ATOM 676 CA VAL A 45 11.031 2.069 -3.366 1.00 0.00 C ATOM 677 C VAL A 45 12.228 1.646 -2.522 1.00 0.00 C ATOM 678 O VAL A 45 13.352 1.562 -3.016 1.00 0.00 O ATOM 679 CB VAL A 45 10.346 0.810 -3.932 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.778 -0.040 -2.806 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.258 1.196 -4.921 1.00 0.00 C ATOM 0 H VAL A 45 12.178 2.619 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 45 10.322 2.610 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 45 11.092 0.217 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.298 -0.925 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.584 -0.346 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.044 0.540 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.785 0.295 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.511 1.810 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.698 1.760 -5.744 1.00 0.00 H new ATOM 691 N LYS A 46 11.979 1.382 -1.243 1.00 0.00 N ATOM 692 CA LYS A 46 13.035 0.967 -0.328 1.00 0.00 C ATOM 693 C LYS A 46 12.518 -0.071 0.664 1.00 0.00 C ATOM 694 O LYS A 46 11.423 0.067 1.209 1.00 0.00 O ATOM 695 CB LYS A 46 13.589 2.177 0.427 1.00 0.00 C ATOM 696 CG LYS A 46 15.068 2.063 0.756 1.00 0.00 C ATOM 697 CD LYS A 46 15.917 2.015 -0.503 1.00 0.00 C ATOM 698 CE LYS A 46 16.467 0.619 -0.751 1.00 0.00 C ATOM 699 NZ LYS A 46 17.807 0.657 -1.400 1.00 0.00 N ATOM 0 H LYS A 46 11.054 1.448 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 46 13.834 0.516 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.426 3.074 -0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.028 2.305 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.372 2.912 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.242 1.164 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.319 2.329 -1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.742 2.722 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.537 0.083 0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.774 0.062 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.147 -0.314 -1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.736 1.146 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.475 1.166 -0.787 1.00 0.00 H new ATOM 713 N LYS A 47 13.314 -1.110 0.894 1.00 0.00 N ATOM 714 CA LYS A 47 12.939 -2.170 1.822 1.00 0.00 C ATOM 715 C LYS A 47 13.396 -1.840 3.240 1.00 0.00 C ATOM 716 O LYS A 47 14.567 -2.009 3.581 1.00 0.00 O ATOM 717 CB LYS A 47 13.545 -3.503 1.378 1.00 0.00 C ATOM 718 CG LYS A 47 12.622 -4.691 1.586 1.00 0.00 C ATOM 719 CD LYS A 47 12.629 -5.620 0.385 1.00 0.00 C ATOM 720 CE LYS A 47 11.844 -6.894 0.660 1.00 0.00 C ATOM 721 NZ LYS A 47 12.732 -8.086 0.747 1.00 0.00 N ATOM 0 H LYS A 47 14.223 -1.240 0.450 1.00 0.00 H new ATOM 0 HA LYS A 47 11.852 -2.252 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.808 -3.439 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.471 -3.672 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.931 -5.242 2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.607 -4.337 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.201 -5.106 -0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.657 -5.874 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.290 -6.785 1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.109 -7.046 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.627 -8.661 -0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.721 -7.776 0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.470 -8.654 1.577 1.00 0.00 H new ATOM 735 N LEU A 48 12.465 -1.369 4.061 1.00 0.00 N ATOM 736 CA LEU A 48 12.772 -1.016 5.443 1.00 0.00 C ATOM 737 C LEU A 48 11.848 -1.749 6.411 1.00 0.00 C ATOM 738 O LEU A 48 10.652 -1.465 6.481 1.00 0.00 O ATOM 739 CB LEU A 48 12.644 0.495 5.645 1.00 0.00 C ATOM 740 CG LEU A 48 13.826 1.338 5.165 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.103 0.921 5.879 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.992 1.216 3.657 1.00 0.00 C ATOM 0 H LEU A 48 11.491 -1.222 3.795 1.00 0.00 H new ATOM 0 HA LEU A 48 13.799 -1.319 5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.747 0.836 5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.493 0.688 6.707 1.00 0.00 H new ATOM 0 HG LEU A 48 13.624 2.382 5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.934 1.531 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.982 1.061 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.310 -0.129 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.838 1.823 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.172 0.174 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.086 1.564 3.162 1.00 0.00 H new ATOM 754 N LYS A 49 12.411 -2.693 7.157 1.00 0.00 N ATOM 755 CA LYS A 49 11.639 -3.466 8.124 1.00 0.00 C ATOM 756 C LYS A 49 10.564 -4.293 7.426 1.00 0.00 C ATOM 757 O LYS A 49 10.617 -4.501 6.214 1.00 0.00 O ATOM 758 CB LYS A 49 10.995 -2.535 9.153 1.00 0.00 C ATOM 759 CG LYS A 49 11.940 -1.474 9.690 1.00 0.00 C ATOM 760 CD LYS A 49 13.180 -2.095 10.312 1.00 0.00 C ATOM 761 CE LYS A 49 13.884 -1.119 11.242 1.00 0.00 C ATOM 762 NZ LYS A 49 13.454 -1.293 12.657 1.00 0.00 N ATOM 0 H LYS A 49 13.399 -2.942 7.111 1.00 0.00 H new ATOM 0 HA LYS A 49 12.320 -4.147 8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.134 -2.046 8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.621 -3.131 9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.234 -0.804 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.423 -0.868 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.901 -2.991 10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.866 -2.408 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.962 -1.262 11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.676 -0.098 10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.956 -0.610 13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.429 -1.132 12.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.676 -2.259 12.971 1.00 0.00 H new ATOM 776 N ASP A 50 9.590 -4.760 8.199 1.00 0.00 N ATOM 777 CA ASP A 50 8.501 -5.562 7.654 1.00 0.00 C ATOM 778 C ASP A 50 7.705 -4.768 6.623 1.00 0.00 C ATOM 779 O ASP A 50 6.945 -5.337 5.838 1.00 0.00 O ATOM 780 CB ASP A 50 7.575 -6.034 8.777 1.00 0.00 C ATOM 781 CG ASP A 50 7.746 -7.508 9.086 1.00 0.00 C ATOM 782 OD1 ASP A 50 8.831 -7.893 9.569 1.00 0.00 O ATOM 783 OD2 ASP A 50 6.793 -8.279 8.846 1.00 0.00 O ATOM 0 H ASP A 50 9.532 -4.597 9.204 1.00 0.00 H new ATOM 0 HA ASP A 50 8.935 -6.432 7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.773 -5.452 9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.540 -5.842 8.495 1.00 0.00 H new ATOM 788 N TYR A 51 7.883 -3.452 6.631 1.00 0.00 N ATOM 789 CA TYR A 51 7.180 -2.580 5.698 1.00 0.00 C ATOM 790 C TYR A 51 8.123 -2.065 4.615 1.00 0.00 C ATOM 791 O TYR A 51 9.284 -2.467 4.546 1.00 0.00 O ATOM 792 CB TYR A 51 6.551 -1.402 6.445 1.00 0.00 C ATOM 793 CG TYR A 51 7.518 -0.674 7.351 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.389 0.282 6.844 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.561 -0.944 8.713 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.276 0.950 7.669 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.442 -0.280 9.545 1.00 0.00 C ATOM 798 CZ TYR A 51 9.298 0.666 9.018 1.00 0.00 C ATOM 799 OH TYR A 51 10.178 1.327 9.843 1.00 0.00 O ATOM 0 H TYR A 51 8.508 -2.965 7.273 1.00 0.00 H new ATOM 0 HA TYR A 51 6.392 -3.162 5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.145 -0.697 5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.713 -1.765 7.039 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.373 0.508 5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.895 -1.685 9.129 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.947 1.690 7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.461 -0.500 10.602 1.00 0.00 H new ATOM 0 HH TYR A 51 10.064 1.010 10.763 1.00 0.00 H new ATOM 809 N ALA A 52 7.615 -1.172 3.772 1.00 0.00 N ATOM 810 CA ALA A 52 8.411 -0.600 2.694 1.00 0.00 C ATOM 811 C ALA A 52 8.046 0.862 2.458 1.00 0.00 C ATOM 812 O ALA A 52 6.966 1.312 2.842 1.00 0.00 O ATOM 813 CB ALA A 52 8.227 -1.405 1.417 1.00 0.00 C ATOM 0 H ALA A 52 6.655 -0.829 3.815 1.00 0.00 H new ATOM 0 HA ALA A 52 9.460 -0.642 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.828 -0.966 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.545 -2.434 1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.176 -1.393 1.128 1.00 0.00 H new ATOM 819 N PHE A 53 8.953 1.599 1.825 1.00 0.00 N ATOM 820 CA PHE A 53 8.726 3.011 1.539 1.00 0.00 C ATOM 821 C PHE A 53 8.748 3.272 0.036 1.00 0.00 C ATOM 822 O PHE A 53 9.804 3.245 -0.594 1.00 0.00 O ATOM 823 CB PHE A 53 9.786 3.870 2.233 1.00 0.00 C ATOM 824 CG PHE A 53 9.516 4.091 3.695 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.302 4.606 4.118 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.477 3.782 4.644 1.00 0.00 C ATOM 827 CE1 PHE A 53 8.050 4.810 5.461 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.230 3.984 5.989 1.00 0.00 C ATOM 829 CZ PHE A 53 9.016 4.500 6.398 1.00 0.00 C ATOM 0 H PHE A 53 9.852 1.242 1.500 1.00 0.00 H new ATOM 0 HA PHE A 53 7.742 3.280 1.922 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.760 3.393 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.844 4.836 1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.543 4.851 3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.429 3.379 4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.099 5.211 5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.986 3.738 6.720 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.823 4.661 7.448 1.00 0.00 H new ATOM 839 N VAL A 54 7.573 3.525 -0.532 1.00 0.00 N ATOM 840 CA VAL A 54 7.456 3.792 -1.960 1.00 0.00 C ATOM 841 C VAL A 54 6.979 5.217 -2.216 1.00 0.00 C ATOM 842 O VAL A 54 6.175 5.760 -1.456 1.00 0.00 O ATOM 843 CB VAL A 54 6.483 2.807 -2.637 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.376 3.101 -4.125 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.926 1.372 -2.399 1.00 0.00 C ATOM 0 H VAL A 54 6.689 3.551 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 54 8.450 3.663 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 54 5.496 2.936 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.685 2.396 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.008 4.117 -4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.358 3.001 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.227 0.690 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.923 1.225 -2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.945 1.170 -1.328 1.00 0.00 H new ATOM 855 N HIS A 55 7.479 5.819 -3.289 1.00 0.00 N ATOM 856 CA HIS A 55 7.104 7.182 -3.647 1.00 0.00 C ATOM 857 C HIS A 55 6.430 7.219 -5.015 1.00 0.00 C ATOM 858 O HIS A 55 6.634 6.331 -5.844 1.00 0.00 O ATOM 859 CB HIS A 55 8.334 8.090 -3.647 1.00 0.00 C ATOM 860 CG HIS A 55 8.683 8.626 -2.292 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.534 9.953 -1.948 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.172 8.006 -1.194 1.00 0.00 C ATOM 863 CE1 HIS A 55 8.921 10.126 -0.696 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.312 8.960 -0.215 1.00 0.00 N ATOM 0 H HIS A 55 8.146 5.384 -3.927 1.00 0.00 H new ATOM 0 HA HIS A 55 6.395 7.544 -2.902 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.186 7.534 -4.039 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.159 8.925 -4.325 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.409 6.956 -1.103 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.918 11.062 -0.158 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.661 8.795 0.729 1.00 0.00 H new ATOM 872 N PHE A 56 5.625 8.251 -5.245 1.00 0.00 N ATOM 873 CA PHE A 56 4.920 8.403 -6.513 1.00 0.00 C ATOM 874 C PHE A 56 5.178 9.780 -7.118 1.00 0.00 C ATOM 875 O PHE A 56 5.610 10.701 -6.426 1.00 0.00 O ATOM 876 CB PHE A 56 3.417 8.196 -6.312 1.00 0.00 C ATOM 877 CG PHE A 56 3.023 6.752 -6.188 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.176 6.079 -4.987 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.499 6.067 -7.273 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.814 4.751 -4.870 1.00 0.00 C ATOM 881 CE2 PHE A 56 2.135 4.738 -7.162 1.00 0.00 C ATOM 882 CZ PHE A 56 2.292 4.079 -5.958 1.00 0.00 C ATOM 0 H PHE A 56 5.444 8.994 -4.570 1.00 0.00 H new ATOM 0 HA PHE A 56 5.296 7.647 -7.202 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.102 8.729 -5.415 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.882 8.640 -7.151 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.583 6.599 -4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.374 6.578 -8.216 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.939 4.238 -3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.728 4.216 -8.015 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.007 3.041 -5.868 1.00 0.00 H new ATOM 892 N GLU A 57 4.911 9.910 -8.414 1.00 0.00 N ATOM 893 CA GLU A 57 5.117 11.174 -9.111 1.00 0.00 C ATOM 894 C GLU A 57 3.817 11.970 -9.190 1.00 0.00 C ATOM 895 O GLU A 57 3.626 12.780 -10.098 1.00 0.00 O ATOM 896 CB GLU A 57 5.658 10.921 -10.520 1.00 0.00 C ATOM 897 CG GLU A 57 7.164 10.723 -10.567 1.00 0.00 C ATOM 898 CD GLU A 57 7.928 12.029 -10.460 1.00 0.00 C ATOM 899 OE1 GLU A 57 7.402 12.976 -9.839 1.00 0.00 O ATOM 900 OE2 GLU A 57 9.053 12.103 -10.997 1.00 0.00 O ATOM 0 H GLU A 57 4.552 9.157 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 57 5.846 11.756 -8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.171 10.038 -10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.390 11.762 -11.159 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.465 10.062 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.432 10.225 -11.499 1.00 0.00 H new ATOM 907 N ASP A 58 2.926 11.732 -8.233 1.00 0.00 N ATOM 908 CA ASP A 58 1.644 12.426 -8.193 1.00 0.00 C ATOM 909 C ASP A 58 0.825 11.984 -6.984 1.00 0.00 C ATOM 910 O ASP A 58 1.286 11.187 -6.167 1.00 0.00 O ATOM 911 CB ASP A 58 0.859 12.166 -9.479 1.00 0.00 C ATOM 912 CG ASP A 58 0.553 13.442 -10.238 1.00 0.00 C ATOM 913 OD1 ASP A 58 -0.353 14.187 -9.807 1.00 0.00 O ATOM 914 OD2 ASP A 58 1.218 13.696 -11.263 1.00 0.00 O ATOM 0 H ASP A 58 3.068 11.064 -7.475 1.00 0.00 H new ATOM 0 HA ASP A 58 1.840 13.495 -8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.429 11.493 -10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.075 11.659 -9.235 1.00 0.00 H new ATOM 919 N ARG A 59 -0.392 12.508 -6.876 1.00 0.00 N ATOM 920 CA ARG A 59 -1.274 12.170 -5.766 1.00 0.00 C ATOM 921 C ARG A 59 -2.176 10.994 -6.128 1.00 0.00 C ATOM 922 O ARG A 59 -2.157 9.957 -5.465 1.00 0.00 O ATOM 923 CB ARG A 59 -2.125 13.380 -5.376 1.00 0.00 C ATOM 924 CG ARG A 59 -3.217 13.057 -4.369 1.00 0.00 C ATOM 925 CD ARG A 59 -4.593 13.066 -5.016 1.00 0.00 C ATOM 926 NE ARG A 59 -5.657 12.833 -4.043 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.950 12.857 -4.348 1.00 0.00 C ATOM 928 NH1 ARG A 59 -7.336 13.101 -5.592 1.00 0.00 N ATOM 929 NH2 ARG A 59 -7.858 12.635 -3.407 1.00 0.00 N ATOM 0 H ARG A 59 -0.789 13.168 -7.544 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.655 11.882 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.476 14.151 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.582 13.797 -6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.028 12.079 -3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.191 13.784 -3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.756 14.025 -5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.635 12.299 -5.790 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.393 12.641 -3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.640 13.271 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.329 13.119 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.564 12.446 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.851 12.654 -3.641 1.00 0.00 H new ATOM 943 N GLY A 60 -2.967 11.164 -7.182 1.00 0.00 N ATOM 944 CA GLY A 60 -3.866 10.109 -7.614 1.00 0.00 C ATOM 945 C GLY A 60 -3.149 8.793 -7.840 1.00 0.00 C ATOM 946 O GLY A 60 -3.731 7.723 -7.664 1.00 0.00 O ATOM 0 H GLY A 60 -3.002 12.014 -7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.645 9.971 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.361 10.413 -8.536 1.00 0.00 H new ATOM 950 N ALA A 61 -1.881 8.871 -8.232 1.00 0.00 N ATOM 951 CA ALA A 61 -1.084 7.676 -8.482 1.00 0.00 C ATOM 952 C ALA A 61 -0.989 6.809 -7.232 1.00 0.00 C ATOM 953 O ALA A 61 -0.988 5.581 -7.315 1.00 0.00 O ATOM 954 CB ALA A 61 0.305 8.061 -8.968 1.00 0.00 C ATOM 0 H ALA A 61 -1.384 9.749 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.580 7.094 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.889 7.159 -9.151 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.222 8.633 -9.892 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.801 8.667 -8.210 1.00 0.00 H new ATOM 960 N ALA A 62 -0.907 7.455 -6.074 1.00 0.00 N ATOM 961 CA ALA A 62 -0.811 6.742 -4.805 1.00 0.00 C ATOM 962 C ALA A 62 -2.195 6.424 -4.250 1.00 0.00 C ATOM 963 O ALA A 62 -2.445 5.314 -3.777 1.00 0.00 O ATOM 964 CB ALA A 62 -0.011 7.557 -3.800 1.00 0.00 C ATOM 0 H ALA A 62 -0.905 8.471 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.294 5.799 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.052 7.012 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.993 7.729 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.504 8.515 -3.633 1.00 0.00 H new ATOM 970 N VAL A 63 -3.091 7.404 -4.308 1.00 0.00 N ATOM 971 CA VAL A 63 -4.450 7.228 -3.810 1.00 0.00 C ATOM 972 C VAL A 63 -5.174 6.123 -4.569 1.00 0.00 C ATOM 973 O VAL A 63 -5.584 5.118 -3.986 1.00 0.00 O ATOM 974 CB VAL A 63 -5.262 8.531 -3.923 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.685 8.320 -3.426 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.581 9.652 -3.152 1.00 0.00 C ATOM 0 H VAL A 63 -2.900 8.328 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.369 6.950 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.308 8.819 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.243 9.252 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.169 7.549 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.663 8.007 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.169 10.565 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.502 9.375 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.584 9.820 -3.559 1.00 0.00 H new ATOM 986 N LYS A 64 -5.329 6.312 -5.875 1.00 0.00 N ATOM 987 CA LYS A 64 -6.004 5.331 -6.717 1.00 0.00 C ATOM 988 C LYS A 64 -5.368 3.953 -6.562 1.00 0.00 C ATOM 989 O LYS A 64 -6.059 2.936 -6.571 1.00 0.00 O ATOM 990 CB LYS A 64 -5.953 5.766 -8.183 1.00 0.00 C ATOM 991 CG LYS A 64 -6.637 4.796 -9.129 1.00 0.00 C ATOM 992 CD LYS A 64 -5.785 4.517 -10.356 1.00 0.00 C ATOM 993 CE LYS A 64 -6.516 3.633 -11.354 1.00 0.00 C ATOM 994 NZ LYS A 64 -6.184 3.993 -12.760 1.00 0.00 N ATOM 0 H LYS A 64 -4.996 7.137 -6.374 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.045 5.270 -6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.421 6.745 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.911 5.880 -8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.842 3.861 -8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.599 5.206 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.514 5.459 -10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.856 4.034 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.255 2.590 -11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.591 3.724 -11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.702 3.368 -13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.456 4.981 -12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.162 3.882 -12.915 1.00 0.00 H new ATOM 1008 N ALA A 65 -4.047 3.929 -6.419 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.318 2.676 -6.258 1.00 0.00 C ATOM 1010 C ALA A 65 -3.654 2.013 -4.927 1.00 0.00 C ATOM 1011 O ALA A 65 -4.175 0.900 -4.891 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.821 2.919 -6.368 1.00 0.00 C ATOM 0 H ALA A 65 -3.459 4.763 -6.411 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.624 2.000 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.289 1.975 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.592 3.341 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.507 3.615 -5.590 1.00 0.00 H new ATOM 1018 N MET A 66 -3.349 2.705 -3.833 1.00 0.00 N ATOM 1019 CA MET A 66 -3.619 2.183 -2.499 1.00 0.00 C ATOM 1020 C MET A 66 -5.092 1.817 -2.346 1.00 0.00 C ATOM 1021 O MET A 66 -5.447 0.955 -1.542 1.00 0.00 O ATOM 1022 CB MET A 66 -3.222 3.209 -1.436 1.00 0.00 C ATOM 1023 CG MET A 66 -3.663 2.829 -0.031 1.00 0.00 C ATOM 1024 SD MET A 66 -5.155 3.697 0.486 1.00 0.00 S ATOM 1025 CE MET A 66 -4.580 5.394 0.482 1.00 0.00 C ATOM 0 H MET A 66 -2.915 3.628 -3.845 1.00 0.00 H new ATOM 0 HA MET A 66 -3.023 1.281 -2.362 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.139 3.332 -1.448 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.655 4.175 -1.695 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.839 1.754 0.012 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.858 3.049 0.670 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.186 5.985 1.169 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.537 5.426 0.798 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.667 5.805 -0.524 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.944 2.478 -3.121 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.379 2.222 -3.071 1.00 0.00 C ATOM 1037 C ASP A 67 -7.683 0.765 -3.402 1.00 0.00 C ATOM 1038 O ASP A 67 -8.511 0.130 -2.750 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.117 3.143 -4.045 1.00 0.00 C ATOM 1040 CG ASP A 67 -9.587 3.288 -3.703 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -10.360 2.354 -4.002 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -9.966 4.335 -3.138 1.00 0.00 O ATOM 0 H ASP A 67 -5.666 3.195 -3.791 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.724 2.425 -2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.647 4.126 -4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.019 2.750 -5.057 1.00 0.00 H new ATOM 1047 N GLU A 68 -7.007 0.240 -4.420 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.206 -1.142 -4.837 1.00 0.00 C ATOM 1049 C GLU A 68 -6.216 -2.069 -4.140 1.00 0.00 C ATOM 1050 O GLU A 68 -6.595 -3.113 -3.608 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.056 -1.267 -6.355 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.788 -0.183 -7.130 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.279 -0.179 -6.858 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -9.678 0.202 -5.738 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.049 -0.557 -7.766 1.00 0.00 O ATOM 0 H GLU A 68 -6.317 0.752 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.216 -1.438 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.997 -1.233 -6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.429 -2.242 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.372 0.790 -6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.617 -0.326 -8.197 1.00 0.00 H new ATOM 1062 N MET A 69 -4.945 -1.681 -4.146 1.00 0.00 N ATOM 1063 CA MET A 69 -3.899 -2.477 -3.513 1.00 0.00 C ATOM 1064 C MET A 69 -4.272 -2.817 -2.073 1.00 0.00 C ATOM 1065 O MET A 69 -3.906 -3.874 -1.561 1.00 0.00 O ATOM 1066 CB MET A 69 -2.567 -1.725 -3.543 1.00 0.00 C ATOM 1067 CG MET A 69 -1.995 -1.561 -4.941 1.00 0.00 C ATOM 1068 SD MET A 69 -1.497 -3.130 -5.678 1.00 0.00 S ATOM 1069 CE MET A 69 -0.161 -3.607 -4.586 1.00 0.00 C ATOM 0 H MET A 69 -4.614 -0.820 -4.582 1.00 0.00 H new ATOM 0 HA MET A 69 -3.795 -3.407 -4.073 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.705 -0.740 -3.098 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.845 -2.257 -2.924 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.739 -1.084 -5.580 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.134 -0.894 -4.901 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.311 -4.635 -4.255 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.788 -3.532 -5.117 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.145 -2.945 -3.720 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.001 -1.914 -1.426 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.423 -2.120 -0.044 1.00 0.00 C ATOM 1081 C ASN A 70 -6.111 -3.471 0.119 1.00 0.00 C ATOM 1082 O ASN A 70 -7.244 -3.660 -0.320 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.365 -0.997 0.395 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.158 -1.362 1.636 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -6.648 -2.026 2.538 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -8.411 -0.927 1.686 1.00 0.00 N ATOM 0 H ASN A 70 -5.312 -1.033 -1.835 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.535 -2.108 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.785 -0.095 0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.053 -0.765 -0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.993 -1.140 2.496 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.792 -0.379 0.914 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.417 -4.410 0.755 1.00 0.00 N ATOM 1094 CA GLY A 71 -5.977 -5.732 0.967 1.00 0.00 C ATOM 1095 C GLY A 71 -5.669 -6.681 -0.175 1.00 0.00 C ATOM 1096 O GLY A 71 -6.557 -7.378 -0.669 1.00 0.00 O ATOM 0 H GLY A 71 -4.477 -4.279 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.583 -6.146 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.057 -5.651 1.087 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.410 -6.707 -0.598 1.00 0.00 N ATOM 1101 CA LYS A 72 -3.987 -7.578 -1.688 1.00 0.00 C ATOM 1102 C LYS A 72 -3.109 -8.712 -1.171 1.00 0.00 C ATOM 1103 O LYS A 72 -2.721 -8.724 -0.003 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.228 -6.771 -2.745 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.121 -6.207 -3.837 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.588 -7.293 -4.791 1.00 0.00 C ATOM 1107 CE LYS A 72 -3.604 -7.491 -5.935 1.00 0.00 C ATOM 1108 NZ LYS A 72 -3.023 -8.863 -5.936 1.00 0.00 N ATOM 0 H LYS A 72 -3.664 -6.135 -0.202 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.879 -8.012 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.704 -5.950 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.469 -7.407 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.986 -5.721 -3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.579 -5.442 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.708 -8.230 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.567 -7.030 -5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.109 -7.310 -6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.802 -6.757 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.358 -8.958 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.519 -9.027 -5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.786 -9.563 -6.038 1.00 0.00 H new ATOM 1122 N GLU A 73 -2.798 -9.662 -2.048 1.00 0.00 N ATOM 1123 CA GLU A 73 -1.965 -10.799 -1.678 1.00 0.00 C ATOM 1124 C GLU A 73 -0.726 -10.878 -2.566 1.00 0.00 C ATOM 1125 O GLU A 73 -0.811 -11.255 -3.735 1.00 0.00 O ATOM 1126 CB GLU A 73 -2.764 -12.100 -1.782 1.00 0.00 C ATOM 1127 CG GLU A 73 -1.914 -13.350 -1.623 1.00 0.00 C ATOM 1128 CD GLU A 73 -2.730 -14.625 -1.718 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -3.479 -14.923 -0.765 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -2.617 -15.326 -2.745 1.00 0.00 O ATOM 0 H GLU A 73 -3.111 -9.666 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.643 -10.660 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.542 -12.101 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.266 -12.132 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.141 -13.360 -2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.405 -13.319 -0.659 1.00 0.00 H new ATOM 1137 N ILE A 74 0.422 -10.519 -2.002 1.00 0.00 N ATOM 1138 CA ILE A 74 1.677 -10.549 -2.742 1.00 0.00 C ATOM 1139 C ILE A 74 2.543 -11.728 -2.308 1.00 0.00 C ATOM 1140 O ILE A 74 2.971 -11.806 -1.157 1.00 0.00 O ATOM 1141 CB ILE A 74 2.475 -9.245 -2.552 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.636 -8.041 -2.985 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.777 -9.300 -3.337 1.00 0.00 C ATOM 1144 CD1 ILE A 74 2.248 -6.710 -2.608 1.00 0.00 C ATOM 0 H ILE A 74 0.509 -10.204 -1.036 1.00 0.00 H new ATOM 0 HA ILE A 74 1.419 -10.658 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 74 2.716 -9.135 -1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.498 -8.075 -4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.646 -8.117 -2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.329 -8.371 -3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.379 -10.138 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.558 -9.430 -4.397 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.599 -5.902 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.361 -6.655 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.225 -6.612 -3.080 1.00 0.00 H new ATOM 1156 N GLU A 75 2.797 -12.641 -3.240 1.00 0.00 N ATOM 1157 CA GLU A 75 3.613 -13.816 -2.954 1.00 0.00 C ATOM 1158 C GLU A 75 2.974 -14.668 -1.861 1.00 0.00 C ATOM 1159 O GLU A 75 3.667 -15.343 -1.101 1.00 0.00 O ATOM 1160 CB GLU A 75 5.022 -13.396 -2.530 1.00 0.00 C ATOM 1161 CG GLU A 75 6.126 -14.126 -3.276 1.00 0.00 C ATOM 1162 CD GLU A 75 6.216 -13.715 -4.733 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.473 -12.797 -5.138 1.00 0.00 O ATOM 1164 OE2 GLU A 75 7.029 -14.312 -5.468 1.00 0.00 O ATOM 0 H GLU A 75 2.450 -12.590 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 75 3.678 -14.412 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.135 -12.324 -2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.139 -13.574 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.081 -13.930 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.951 -15.200 -3.215 1.00 0.00 H new ATOM 1171 N GLY A 76 1.647 -14.632 -1.789 1.00 0.00 N ATOM 1172 CA GLY A 76 0.937 -15.404 -0.788 1.00 0.00 C ATOM 1173 C GLY A 76 1.118 -14.846 0.610 1.00 0.00 C ATOM 1174 O GLY A 76 1.076 -15.588 1.591 1.00 0.00 O ATOM 0 H GLY A 76 1.051 -14.081 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.125 -15.423 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.288 -16.436 -0.813 1.00 0.00 H new ATOM 1178 N GLU A 77 1.322 -13.535 0.701 1.00 0.00 N ATOM 1179 CA GLU A 77 1.513 -12.880 1.990 1.00 0.00 C ATOM 1180 C GLU A 77 0.552 -11.706 2.151 1.00 0.00 C ATOM 1181 O GLU A 77 0.495 -10.817 1.302 1.00 0.00 O ATOM 1182 CB GLU A 77 2.957 -12.394 2.131 1.00 0.00 C ATOM 1183 CG GLU A 77 3.917 -13.470 2.609 1.00 0.00 C ATOM 1184 CD GLU A 77 3.895 -13.643 4.116 1.00 0.00 C ATOM 1185 OE1 GLU A 77 3.980 -12.623 4.831 1.00 0.00 O ATOM 1186 OE2 GLU A 77 3.793 -14.798 4.579 1.00 0.00 O ATOM 0 H GLU A 77 1.359 -12.907 -0.102 1.00 0.00 H new ATOM 0 HA GLU A 77 1.304 -13.608 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.300 -12.015 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.984 -11.558 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.661 -14.417 2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.928 -13.217 2.291 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.201 -11.711 3.246 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.161 -10.647 3.516 1.00 0.00 C ATOM 1195 C GLU A 78 -0.451 -9.309 3.704 1.00 0.00 C ATOM 1196 O GLU A 78 0.100 -9.030 4.769 1.00 0.00 O ATOM 1197 CB GLU A 78 -1.985 -10.979 4.763 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.109 -11.967 4.505 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.251 -11.824 5.491 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -3.976 -11.727 6.706 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.419 -11.808 5.050 1.00 0.00 O ATOM 0 H GLU A 78 -0.165 -12.439 3.960 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.828 -10.567 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.323 -11.386 5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.407 -10.058 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.488 -11.824 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.714 -12.982 4.557 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.470 -8.486 2.661 1.00 0.00 N ATOM 1209 CA ILE A 79 0.171 -7.178 2.709 1.00 0.00 C ATOM 1210 C ILE A 79 -0.815 -6.099 3.141 1.00 0.00 C ATOM 1211 O ILE A 79 -1.954 -6.062 2.676 1.00 0.00 O ATOM 1212 CB ILE A 79 0.770 -6.793 1.344 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.320 -6.776 0.271 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.882 -7.759 0.962 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.518 -5.420 -0.368 1.00 0.00 C ATOM 0 H ILE A 79 -0.922 -8.702 1.773 1.00 0.00 H new ATOM 0 HA ILE A 79 0.975 -7.248 3.442 1.00 0.00 H new ATOM 0 HB ILE A 79 1.195 -5.792 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.067 -7.500 -0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.261 -7.100 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.295 -7.474 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.668 -7.726 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.480 -8.770 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.306 -5.483 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.802 -4.696 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.411 -5.102 -0.842 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.370 -5.219 4.033 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.214 -4.138 4.527 1.00 0.00 C ATOM 1229 C GLU A 80 -0.810 -2.804 3.905 1.00 0.00 C ATOM 1230 O GLU A 80 0.328 -2.631 3.467 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.126 -4.047 6.052 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.417 -3.591 6.710 1.00 0.00 C ATOM 1233 CD GLU A 80 -3.218 -4.741 7.287 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -2.610 -5.632 7.916 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -4.455 -4.752 7.107 1.00 0.00 O ATOM 0 H GLU A 80 0.570 -5.234 4.428 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.243 -4.357 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.850 -5.023 6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.327 -3.356 6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.184 -2.881 7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.026 -3.061 5.977 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.750 -1.866 3.868 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.493 -0.549 3.300 1.00 0.00 C ATOM 1244 C ILE A 81 -2.199 0.542 4.097 1.00 0.00 C ATOM 1245 O ILE A 81 -3.422 0.536 4.230 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.948 -0.471 1.830 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.412 -1.668 1.043 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.485 0.834 1.201 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.845 -1.681 -0.406 1.00 0.00 C ATOM 0 H ILE A 81 -2.697 -1.994 4.225 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.416 -0.390 3.348 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.037 -0.499 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.323 -1.664 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.748 -2.588 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.814 0.874 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.911 1.674 1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.397 0.891 1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.428 -2.557 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.933 -1.716 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.486 -0.779 -0.901 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.418 1.479 4.627 1.00 0.00 N ATOM 1262 CA VAL A 82 -1.968 2.579 5.409 1.00 0.00 C ATOM 1263 C VAL A 82 -1.299 3.900 5.048 1.00 0.00 C ATOM 1264 O VAL A 82 -0.079 3.967 4.892 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.804 2.329 6.921 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.489 1.033 7.325 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.331 2.305 7.298 1.00 0.00 C ATOM 0 H VAL A 82 -0.403 1.498 4.529 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.030 2.637 5.170 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.281 3.146 7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.363 0.873 8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.552 1.095 7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.044 0.201 6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.232 2.127 8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.172 1.508 6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.125 3.262 7.045 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.104 4.949 4.916 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.590 6.270 4.573 1.00 0.00 C ATOM 1279 C LEU A 83 -0.639 6.781 5.651 1.00 0.00 C ATOM 1280 O LEU A 83 -1.055 7.069 6.774 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.744 7.255 4.385 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.516 7.144 3.069 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -4.820 7.919 3.148 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -2.665 7.642 1.910 1.00 0.00 C ATOM 0 H LEU A 83 -3.116 4.910 5.041 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.037 6.186 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.447 7.121 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.348 8.267 4.466 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.753 6.094 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.355 7.828 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.435 7.516 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.607 8.970 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.229 7.556 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.398 8.685 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.758 7.042 1.840 1.00 0.00 H new ATOM 1296 N ALA A 84 0.638 6.893 5.302 1.00 0.00 N ATOM 1297 CA ALA A 84 1.646 7.375 6.239 1.00 0.00 C ATOM 1298 C ALA A 84 1.384 8.824 6.631 1.00 0.00 C ATOM 1299 O ALA A 84 0.805 9.592 5.862 1.00 0.00 O ATOM 1300 CB ALA A 84 3.036 7.232 5.636 1.00 0.00 C ATOM 0 H ALA A 84 0.999 6.657 4.378 1.00 0.00 H new ATOM 0 HA ALA A 84 1.588 6.767 7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.780 7.595 6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.230 6.183 5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.096 7.815 4.717 1.00 0.00 H new