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 Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -112:sc= 0.363 (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=-0.0047) USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= -0.109 (180deg=-0.521) USER MOD Single : A 66 MET CE :methyl -159:sc= -0.0536 (180deg=-0.869) USER MOD Single : A 69 MET CE :methyl -127:sc= -0.216 (180deg=-1.27) USER MOD Single : A 70 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.29) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.458 9.775 0.426 1.00 0.00 N ATOM 211 CA VAL A 17 3.294 8.600 0.636 1.00 0.00 C ATOM 212 C VAL A 17 2.498 7.463 1.267 1.00 0.00 C ATOM 213 O VAL A 17 1.890 7.630 2.326 1.00 0.00 O ATOM 214 CB VAL A 17 4.504 8.924 1.533 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.401 7.706 1.681 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.282 10.105 0.971 1.00 0.00 C ATOM 0 HA VAL A 17 3.652 8.288 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 17 4.138 9.197 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.250 7.955 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.836 6.890 2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.762 7.398 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.133 10.320 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.638 9.863 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.632 10.979 0.923 1.00 0.00 H new ATOM 226 N LEU A 18 2.504 6.308 0.612 1.00 0.00 N ATOM 227 CA LEU A 18 1.782 5.142 1.109 1.00 0.00 C ATOM 228 C LEU A 18 2.677 4.288 2.001 1.00 0.00 C ATOM 229 O LEU A 18 3.858 4.095 1.712 1.00 0.00 O ATOM 230 CB LEU A 18 1.259 4.305 -0.060 1.00 0.00 C ATOM 231 CG LEU A 18 0.551 5.076 -1.174 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.482 4.239 -2.441 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.844 5.492 -0.732 1.00 0.00 C ATOM 0 H LEU A 18 3.001 6.153 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 18 0.938 5.493 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.098 3.764 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.569 3.559 0.334 1.00 0.00 H new ATOM 0 HG LEU A 18 1.126 5.977 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.025 4.804 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.492 3.991 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.070 3.321 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.333 6.040 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.429 4.605 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.771 6.130 0.149 1.00 0.00 H new ATOM 245 N PHE A 19 2.105 3.776 3.087 1.00 0.00 N ATOM 246 CA PHE A 19 2.851 2.940 4.021 1.00 0.00 C ATOM 247 C PHE A 19 2.408 1.484 3.920 1.00 0.00 C ATOM 248 O PHE A 19 1.404 1.085 4.511 1.00 0.00 O ATOM 249 CB PHE A 19 2.659 3.445 5.453 1.00 0.00 C ATOM 250 CG PHE A 19 3.680 2.912 6.417 1.00 0.00 C ATOM 251 CD1 PHE A 19 5.034 3.071 6.171 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.285 2.251 7.569 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.976 2.583 7.057 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.222 1.761 8.458 1.00 0.00 C ATOM 255 CZ PHE A 19 5.570 1.925 8.202 1.00 0.00 C ATOM 0 H PHE A 19 1.129 3.925 3.341 1.00 0.00 H new ATOM 0 HA PHE A 19 3.908 2.999 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.703 4.534 5.455 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.664 3.165 5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.357 3.582 5.276 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.233 2.117 7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.028 2.716 6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.901 1.250 9.353 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.304 1.540 8.895 1.00 0.00 H new ATOM 265 N VAL A 20 3.165 0.692 3.167 1.00 0.00 N ATOM 266 CA VAL A 20 2.853 -0.721 2.988 1.00 0.00 C ATOM 267 C VAL A 20 3.505 -1.569 4.075 1.00 0.00 C ATOM 268 O VAL A 20 4.726 -1.716 4.112 1.00 0.00 O ATOM 269 CB VAL A 20 3.316 -1.228 1.610 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.814 -2.642 1.364 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.844 -0.287 0.510 1.00 0.00 C ATOM 0 H VAL A 20 3.999 1.005 2.671 1.00 0.00 H new ATOM 0 HA VAL A 20 1.769 -0.817 3.056 1.00 0.00 H new ATOM 0 HB VAL A 20 4.406 -1.248 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.151 -2.983 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.206 -3.306 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.725 -2.652 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.180 -0.660 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.755 -0.233 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.258 0.707 0.679 1.00 0.00 H new ATOM 281 N ARG A 21 2.682 -2.127 4.956 1.00 0.00 N ATOM 282 CA ARG A 21 3.177 -2.960 6.044 1.00 0.00 C ATOM 283 C ARG A 21 2.944 -4.439 5.746 1.00 0.00 C ATOM 284 O ARG A 21 2.212 -4.787 4.820 1.00 0.00 O ATOM 285 CB ARG A 21 2.493 -2.580 7.358 1.00 0.00 C ATOM 286 CG ARG A 21 3.467 -2.255 8.480 1.00 0.00 C ATOM 287 CD ARG A 21 2.996 -2.823 9.809 1.00 0.00 C ATOM 288 NE ARG A 21 1.597 -2.500 10.077 1.00 0.00 N ATOM 289 CZ ARG A 21 1.176 -1.291 10.430 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.042 -0.295 10.557 1.00 0.00 N ATOM 291 NH2 ARG A 21 -0.113 -1.075 10.657 1.00 0.00 N ATOM 0 H ARG A 21 1.668 -2.017 4.937 1.00 0.00 H new ATOM 0 HA ARG A 21 4.250 -2.790 6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.849 -1.718 7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.849 -3.401 7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.450 -2.659 8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.579 -1.174 8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.124 -3.905 9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.619 -2.430 10.612 1.00 0.00 H new ATOM 0 HE ARG A 21 0.905 -3.244 9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.034 -0.457 10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.716 0.633 10.828 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.783 -1.838 10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.434 -0.146 10.928 1.00 0.00 H new ATOM 305 N ASN A 22 3.571 -5.302 6.537 1.00 0.00 N ATOM 306 CA ASN A 22 3.433 -6.744 6.357 1.00 0.00 C ATOM 307 C ASN A 22 3.815 -7.154 4.938 1.00 0.00 C ATOM 308 O ASN A 22 2.951 -7.433 4.107 1.00 0.00 O ATOM 309 CB ASN A 22 1.998 -7.180 6.657 1.00 0.00 C ATOM 310 CG ASN A 22 1.683 -7.151 8.140 1.00 0.00 C ATOM 311 OD1 ASN A 22 1.596 -6.083 8.747 1.00 0.00 O ATOM 312 ND2 ASN A 22 1.510 -8.328 8.732 1.00 0.00 N ATOM 0 H ASN A 22 4.180 -5.029 7.309 1.00 0.00 H new ATOM 0 HA ASN A 22 4.110 -7.239 7.053 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.304 -6.526 6.128 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.840 -8.188 6.274 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.296 -8.371 9.728 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.591 -9.188 8.190 1.00 0.00 H new ATOM 319 N LEU A 23 5.115 -7.188 4.668 1.00 0.00 N ATOM 320 CA LEU A 23 5.614 -7.565 3.350 1.00 0.00 C ATOM 321 C LEU A 23 6.217 -8.966 3.375 1.00 0.00 C ATOM 322 O LEU A 23 6.320 -9.589 4.432 1.00 0.00 O ATOM 323 CB LEU A 23 6.659 -6.557 2.870 1.00 0.00 C ATOM 324 CG LEU A 23 6.118 -5.326 2.142 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.041 -4.643 2.973 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.246 -4.354 1.826 1.00 0.00 C ATOM 0 H LEU A 23 5.843 -6.959 5.345 1.00 0.00 H new ATOM 0 HA LEU A 23 4.772 -7.564 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.234 -6.221 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.353 -7.072 2.206 1.00 0.00 H new ATOM 0 HG LEU A 23 5.671 -5.652 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.668 -3.769 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.220 -5.339 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.462 -4.331 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.842 -3.484 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.722 -4.035 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.982 -4.845 1.190 1.00 0.00 H new ATOM 338 N ALA A 24 6.616 -9.454 2.206 1.00 0.00 N ATOM 339 CA ALA A 24 7.213 -10.779 2.095 1.00 0.00 C ATOM 340 C ALA A 24 8.736 -10.697 2.100 1.00 0.00 C ATOM 341 O ALA A 24 9.318 -9.729 1.609 1.00 0.00 O ATOM 342 CB ALA A 24 6.725 -11.475 0.834 1.00 0.00 C ATOM 0 H ALA A 24 6.537 -8.952 1.322 1.00 0.00 H new ATOM 0 HA ALA A 24 6.903 -11.363 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.179 -12.463 0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.640 -11.576 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.005 -10.885 -0.039 1.00 0.00 H new ATOM 348 N THR A 25 9.378 -11.719 2.659 1.00 0.00 N ATOM 349 CA THR A 25 10.833 -11.761 2.730 1.00 0.00 C ATOM 350 C THR A 25 11.429 -12.339 1.451 1.00 0.00 C ATOM 351 O THR A 25 12.577 -12.058 1.105 1.00 0.00 O ATOM 352 CB THR A 25 11.314 -12.598 3.930 1.00 0.00 C ATOM 353 OG1 THR A 25 10.655 -12.164 5.125 1.00 0.00 O ATOM 354 CG2 THR A 25 12.820 -12.480 4.103 1.00 0.00 C ATOM 0 H THR A 25 8.912 -12.529 3.069 1.00 0.00 H new ATOM 0 HA THR A 25 11.173 -10.733 2.855 1.00 0.00 H new ATOM 0 HB THR A 25 11.068 -13.642 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.965 -12.702 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.136 -13.080 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.319 -12.839 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.086 -11.437 4.274 1.00 0.00 H new ATOM 362 N THR A 26 10.641 -13.147 0.749 1.00 0.00 N ATOM 363 CA THR A 26 11.091 -13.765 -0.492 1.00 0.00 C ATOM 364 C THR A 26 11.014 -12.782 -1.655 1.00 0.00 C ATOM 365 O THR A 26 11.797 -12.862 -2.601 1.00 0.00 O ATOM 366 CB THR A 26 10.255 -15.013 -0.834 1.00 0.00 C ATOM 367 OG1 THR A 26 8.876 -14.776 -0.533 1.00 0.00 O ATOM 368 CG2 THR A 26 10.749 -16.224 -0.056 1.00 0.00 C ATOM 0 H THR A 26 9.688 -13.389 1.019 1.00 0.00 H new ATOM 0 HA THR A 26 12.128 -14.062 -0.339 1.00 0.00 H new ATOM 0 HB THR A 26 10.364 -15.216 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.351 -15.573 -0.755 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.144 -17.093 -0.313 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.791 -16.419 -0.310 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.666 -16.028 1.013 1.00 0.00 H new ATOM 376 N VAL A 27 10.065 -11.855 -1.578 1.00 0.00 N ATOM 377 CA VAL A 27 9.888 -10.854 -2.624 1.00 0.00 C ATOM 378 C VAL A 27 11.063 -9.884 -2.662 1.00 0.00 C ATOM 379 O VAL A 27 11.827 -9.778 -1.703 1.00 0.00 O ATOM 380 CB VAL A 27 8.585 -10.057 -2.423 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.390 -10.996 -2.353 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.673 -9.200 -1.169 1.00 0.00 C ATOM 0 H VAL A 27 9.407 -11.776 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 27 9.834 -11.392 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 27 8.448 -9.396 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.479 -10.415 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.318 -11.563 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.516 -11.684 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.744 -8.644 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.834 -9.840 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.504 -8.501 -1.263 1.00 0.00 H new ATOM 392 N THR A 28 11.203 -9.176 -3.778 1.00 0.00 N ATOM 393 CA THR A 28 12.286 -8.214 -3.943 1.00 0.00 C ATOM 394 C THR A 28 11.758 -6.871 -4.434 1.00 0.00 C ATOM 395 O THR A 28 10.636 -6.779 -4.930 1.00 0.00 O ATOM 396 CB THR A 28 13.348 -8.729 -4.933 1.00 0.00 C ATOM 397 OG1 THR A 28 14.417 -7.782 -5.040 1.00 0.00 O ATOM 398 CG2 THR A 28 12.738 -8.970 -6.305 1.00 0.00 C ATOM 0 H THR A 28 10.580 -9.251 -4.582 1.00 0.00 H new ATOM 0 HA THR A 28 12.746 -8.084 -2.963 1.00 0.00 H new ATOM 0 HB THR A 28 13.737 -9.675 -4.555 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.089 -8.117 -5.670 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.507 -9.333 -6.987 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.944 -9.713 -6.225 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.325 -8.037 -6.688 1.00 0.00 H new ATOM 406 N GLU A 29 12.575 -5.832 -4.292 1.00 0.00 N ATOM 407 CA GLU A 29 12.188 -4.493 -4.722 1.00 0.00 C ATOM 408 C GLU A 29 11.803 -4.486 -6.198 1.00 0.00 C ATOM 409 O GLU A 29 11.023 -3.644 -6.642 1.00 0.00 O ATOM 410 CB GLU A 29 13.331 -3.505 -4.477 1.00 0.00 C ATOM 411 CG GLU A 29 13.520 -3.142 -3.013 1.00 0.00 C ATOM 412 CD GLU A 29 14.977 -3.144 -2.595 1.00 0.00 C ATOM 413 OE1 GLU A 29 15.826 -2.712 -3.402 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.269 -3.575 -1.460 1.00 0.00 O ATOM 0 H GLU A 29 13.508 -5.891 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 29 11.321 -4.187 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.258 -3.933 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.142 -2.595 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.095 -2.155 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.967 -3.848 -2.393 1.00 0.00 H new ATOM 421 N GLU A 30 12.356 -5.430 -6.953 1.00 0.00 N ATOM 422 CA GLU A 30 12.071 -5.531 -8.380 1.00 0.00 C ATOM 423 C GLU A 30 10.615 -5.920 -8.618 1.00 0.00 C ATOM 424 O GLU A 30 10.023 -5.558 -9.635 1.00 0.00 O ATOM 425 CB GLU A 30 12.998 -6.556 -9.036 1.00 0.00 C ATOM 426 CG GLU A 30 13.744 -6.016 -10.244 1.00 0.00 C ATOM 427 CD GLU A 30 14.693 -7.034 -10.847 1.00 0.00 C ATOM 428 OE1 GLU A 30 15.134 -7.942 -10.111 1.00 0.00 O ATOM 429 OE2 GLU A 30 14.995 -6.923 -12.054 1.00 0.00 O ATOM 0 H GLU A 30 13.003 -6.135 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 30 12.246 -4.553 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.721 -6.904 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.411 -7.423 -9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.024 -5.703 -11.001 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.306 -5.129 -9.952 1.00 0.00 H new ATOM 436 N ILE A 31 10.044 -6.658 -7.672 1.00 0.00 N ATOM 437 CA ILE A 31 8.657 -7.095 -7.778 1.00 0.00 C ATOM 438 C ILE A 31 7.700 -6.009 -7.301 1.00 0.00 C ATOM 439 O ILE A 31 6.763 -5.638 -8.009 1.00 0.00 O ATOM 440 CB ILE A 31 8.408 -8.378 -6.962 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.368 -9.484 -7.403 1.00 0.00 C ATOM 442 CG2 ILE A 31 6.964 -8.830 -7.115 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.359 -10.691 -6.491 1.00 0.00 C ATOM 0 H ILE A 31 10.520 -6.966 -6.824 1.00 0.00 H new ATOM 0 HA ILE A 31 8.471 -7.302 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 31 8.592 -8.163 -5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.106 -9.800 -8.413 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.379 -9.080 -7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.803 -9.737 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.297 -8.046 -6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.755 -9.031 -8.166 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.063 -11.435 -6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.650 -10.389 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.357 -11.120 -6.465 1.00 0.00 H new ATOM 455 N LEU A 32 7.944 -5.499 -6.099 1.00 0.00 N ATOM 456 CA LEU A 32 7.104 -4.452 -5.528 1.00 0.00 C ATOM 457 C LEU A 32 6.954 -3.284 -6.497 1.00 0.00 C ATOM 458 O LEU A 32 5.865 -2.735 -6.657 1.00 0.00 O ATOM 459 CB LEU A 32 7.697 -3.960 -4.207 1.00 0.00 C ATOM 460 CG LEU A 32 7.664 -4.953 -3.044 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.892 -4.783 -2.162 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.391 -4.778 -2.230 1.00 0.00 C ATOM 0 H LEU A 32 8.716 -5.793 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 32 6.116 -4.874 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.733 -3.671 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.162 -3.060 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 32 7.673 -5.963 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.851 -5.498 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.791 -4.960 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.915 -3.770 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.384 -5.492 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.351 -3.764 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.524 -4.952 -2.868 1.00 0.00 H new ATOM 474 N GLU A 33 8.055 -2.914 -7.144 1.00 0.00 N ATOM 475 CA GLU A 33 8.045 -1.812 -8.099 1.00 0.00 C ATOM 476 C GLU A 33 7.101 -2.108 -9.261 1.00 0.00 C ATOM 477 O GLU A 33 6.368 -1.232 -9.720 1.00 0.00 O ATOM 478 CB GLU A 33 9.457 -1.553 -8.628 1.00 0.00 C ATOM 479 CG GLU A 33 10.069 -0.257 -8.122 1.00 0.00 C ATOM 480 CD GLU A 33 11.226 0.216 -8.980 1.00 0.00 C ATOM 481 OE1 GLU A 33 11.292 -0.184 -10.160 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.064 0.988 -8.470 1.00 0.00 O ATOM 0 H GLU A 33 8.964 -3.361 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 33 7.689 -0.921 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.101 -2.385 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.429 -1.531 -9.717 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.302 0.517 -8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.415 -0.398 -7.098 1.00 0.00 H new ATOM 489 N LYS A 34 7.125 -3.350 -9.733 1.00 0.00 N ATOM 490 CA LYS A 34 6.273 -3.765 -10.840 1.00 0.00 C ATOM 491 C LYS A 34 4.823 -3.907 -10.388 1.00 0.00 C ATOM 492 O LYS A 34 3.897 -3.776 -11.187 1.00 0.00 O ATOM 493 CB LYS A 34 6.769 -5.090 -11.424 1.00 0.00 C ATOM 494 CG LYS A 34 7.308 -4.967 -12.839 1.00 0.00 C ATOM 495 CD LYS A 34 8.787 -4.621 -12.843 1.00 0.00 C ATOM 496 CE LYS A 34 9.596 -5.644 -13.626 1.00 0.00 C ATOM 497 NZ LYS A 34 10.754 -5.018 -14.324 1.00 0.00 N ATOM 0 H LYS A 34 7.726 -4.087 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 34 6.321 -2.995 -11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.551 -5.491 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.950 -5.810 -11.417 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.151 -5.905 -13.372 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.752 -4.198 -13.376 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.929 -3.632 -13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.153 -4.573 -11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.956 -6.418 -12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.953 -6.134 -14.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.280 -5.747 -14.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.410 -4.296 -14.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.382 -4.573 -13.624 1.00 0.00 H new ATOM 511 N SER A 35 4.634 -4.175 -9.100 1.00 0.00 N ATOM 512 CA SER A 35 3.297 -4.337 -8.541 1.00 0.00 C ATOM 513 C SER A 35 2.543 -3.012 -8.541 1.00 0.00 C ATOM 514 O SER A 35 1.333 -2.972 -8.768 1.00 0.00 O ATOM 515 CB SER A 35 3.380 -4.890 -7.116 1.00 0.00 C ATOM 516 OG SER A 35 3.270 -6.303 -7.110 1.00 0.00 O ATOM 0 H SER A 35 5.390 -4.285 -8.424 1.00 0.00 H new ATOM 0 HA SER A 35 2.753 -5.044 -9.167 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.326 -4.594 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.585 -4.458 -6.508 1.00 0.00 H new ATOM 0 HG SER A 35 3.328 -6.632 -6.189 1.00 0.00 H new ATOM 522 N PHE A 36 3.268 -1.927 -8.287 1.00 0.00 N ATOM 523 CA PHE A 36 2.668 -0.597 -8.257 1.00 0.00 C ATOM 524 C PHE A 36 2.808 0.093 -9.610 1.00 0.00 C ATOM 525 O PHE A 36 1.971 0.912 -9.991 1.00 0.00 O ATOM 526 CB PHE A 36 3.321 0.255 -7.167 1.00 0.00 C ATOM 527 CG PHE A 36 3.009 -0.212 -5.774 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.748 -0.023 -5.232 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.978 -0.839 -5.006 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.459 -0.451 -3.950 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.693 -1.269 -3.723 1.00 0.00 C ATOM 532 CZ PHE A 36 2.432 -1.076 -3.195 1.00 0.00 C ATOM 0 H PHE A 36 4.270 -1.942 -8.099 1.00 0.00 H new ATOM 0 HA PHE A 36 1.607 -0.709 -8.034 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.402 0.248 -7.310 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.991 1.288 -7.278 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.982 0.464 -5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.966 -0.993 -5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.472 -0.297 -3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.457 -1.756 -3.134 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.207 -1.413 -2.194 1.00 0.00 H new ATOM 542 N SER A 37 3.872 -0.243 -10.332 1.00 0.00 N ATOM 543 CA SER A 37 4.125 0.347 -11.641 1.00 0.00 C ATOM 544 C SER A 37 2.928 0.151 -12.566 1.00 0.00 C ATOM 545 O SER A 37 2.709 0.935 -13.489 1.00 0.00 O ATOM 546 CB SER A 37 5.377 -0.270 -12.269 1.00 0.00 C ATOM 547 OG SER A 37 5.453 0.029 -13.652 1.00 0.00 O ATOM 0 H SER A 37 4.573 -0.921 -10.032 1.00 0.00 H new ATOM 0 HA SER A 37 4.285 1.417 -11.505 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.265 0.107 -11.763 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.364 -1.351 -12.127 1.00 0.00 H new ATOM 0 HG SER A 37 6.262 -0.375 -14.030 1.00 0.00 H new ATOM 553 N GLU A 38 2.157 -0.902 -12.311 1.00 0.00 N ATOM 554 CA GLU A 38 0.982 -1.202 -13.121 1.00 0.00 C ATOM 555 C GLU A 38 -0.089 -0.130 -12.945 1.00 0.00 C ATOM 556 O GLU A 38 -0.914 0.091 -13.831 1.00 0.00 O ATOM 557 CB GLU A 38 0.415 -2.573 -12.748 1.00 0.00 C ATOM 558 CG GLU A 38 -0.298 -2.592 -11.406 1.00 0.00 C ATOM 559 CD GLU A 38 -0.523 -3.997 -10.885 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.475 -4.704 -10.634 1.00 0.00 O ATOM 561 OE2 GLU A 38 -1.698 -4.391 -10.728 1.00 0.00 O ATOM 0 H GLU A 38 2.325 -1.561 -11.551 1.00 0.00 H new ATOM 0 HA GLU A 38 1.287 -1.216 -14.167 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.281 -2.893 -13.524 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.227 -3.300 -12.729 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.288 -2.029 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.259 -2.086 -11.502 1.00 0.00 H new ATOM 568 N PHE A 39 -0.071 0.531 -11.791 1.00 0.00 N ATOM 569 CA PHE A 39 -1.042 1.579 -11.496 1.00 0.00 C ATOM 570 C PHE A 39 -0.587 2.919 -12.070 1.00 0.00 C ATOM 571 O PHE A 39 -1.341 3.594 -12.771 1.00 0.00 O ATOM 572 CB PHE A 39 -1.246 1.702 -9.986 1.00 0.00 C ATOM 573 CG PHE A 39 -1.932 0.513 -9.375 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.204 -0.607 -9.003 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.302 0.515 -9.172 1.00 0.00 C ATOM 576 CE1 PHE A 39 -1.833 -1.702 -8.442 1.00 0.00 C ATOM 577 CE2 PHE A 39 -3.936 -0.578 -8.610 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.200 -1.688 -8.244 1.00 0.00 C ATOM 0 H PHE A 39 0.604 0.360 -11.046 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.988 1.306 -11.963 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.277 1.838 -9.506 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.833 2.597 -9.778 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.135 -0.624 -9.153 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.882 1.381 -9.456 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.255 -2.569 -8.158 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.005 -0.564 -8.458 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.692 -2.543 -7.804 1.00 0.00 H new ATOM 588 N GLY A 40 0.651 3.296 -11.768 1.00 0.00 N ATOM 589 CA GLY A 40 1.184 4.553 -12.260 1.00 0.00 C ATOM 590 C GLY A 40 2.698 4.608 -12.186 1.00 0.00 C ATOM 591 O GLY A 40 3.334 3.713 -11.630 1.00 0.00 O ATOM 0 H GLY A 40 1.295 2.754 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.868 4.699 -13.293 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.765 5.374 -11.679 1.00 0.00 H new ATOM 595 N LYS A 41 3.277 5.662 -12.752 1.00 0.00 N ATOM 596 CA LYS A 41 4.725 5.832 -12.750 1.00 0.00 C ATOM 597 C LYS A 41 5.246 6.041 -11.332 1.00 0.00 C ATOM 598 O LYS A 41 4.983 7.070 -10.707 1.00 0.00 O ATOM 599 CB LYS A 41 5.121 7.020 -13.629 1.00 0.00 C ATOM 600 CG LYS A 41 6.062 6.650 -14.764 1.00 0.00 C ATOM 601 CD LYS A 41 7.483 7.105 -14.481 1.00 0.00 C ATOM 602 CE LYS A 41 8.389 6.884 -15.682 1.00 0.00 C ATOM 603 NZ LYS A 41 9.769 6.501 -15.274 1.00 0.00 N ATOM 0 H LYS A 41 2.765 6.411 -13.218 1.00 0.00 H new ATOM 0 HA LYS A 41 5.173 4.924 -13.153 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.220 7.468 -14.047 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.596 7.779 -13.007 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.048 5.570 -14.912 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.712 7.104 -15.691 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.481 8.162 -14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.876 6.561 -13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.968 6.103 -16.315 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.427 7.794 -16.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.355 6.360 -16.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.181 7.257 -14.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.736 5.619 -14.725 1.00 0.00 H new ATOM 617 N LEU A 42 5.987 5.059 -10.828 1.00 0.00 N ATOM 618 CA LEU A 42 6.547 5.137 -9.483 1.00 0.00 C ATOM 619 C LEU A 42 7.637 6.201 -9.407 1.00 0.00 C ATOM 620 O LEU A 42 7.932 6.872 -10.396 1.00 0.00 O ATOM 621 CB LEU A 42 7.115 3.778 -9.067 1.00 0.00 C ATOM 622 CG LEU A 42 6.100 2.643 -8.922 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.794 1.360 -8.490 1.00 0.00 C ATOM 624 CD2 LEU A 42 5.013 3.023 -7.930 1.00 0.00 C ATOM 0 H LEU A 42 6.214 4.201 -11.330 1.00 0.00 H new ATOM 0 HA LEU A 42 5.746 5.415 -8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.863 3.479 -9.802 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.633 3.899 -8.116 1.00 0.00 H new ATOM 0 HG LEU A 42 5.634 2.472 -9.892 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.057 0.563 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.536 1.078 -9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.287 1.518 -7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.300 2.203 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.462 3.222 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.496 3.916 -8.281 1.00 0.00 H new ATOM 636 N GLU A 43 8.233 6.348 -8.228 1.00 0.00 N ATOM 637 CA GLU A 43 9.292 7.329 -8.025 1.00 0.00 C ATOM 638 C GLU A 43 10.528 6.678 -7.412 1.00 0.00 C ATOM 639 O GLU A 43 11.651 6.906 -7.861 1.00 0.00 O ATOM 640 CB GLU A 43 8.799 8.463 -7.122 1.00 0.00 C ATOM 641 CG GLU A 43 8.984 9.846 -7.727 1.00 0.00 C ATOM 642 CD GLU A 43 9.362 10.888 -6.693 1.00 0.00 C ATOM 643 OE1 GLU A 43 8.481 11.283 -5.899 1.00 0.00 O ATOM 644 OE2 GLU A 43 10.537 11.309 -6.676 1.00 0.00 O ATOM 0 H GLU A 43 8.000 5.800 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 43 9.564 7.739 -8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.742 8.309 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.331 8.417 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.758 9.803 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.061 10.149 -8.222 1.00 0.00 H new ATOM 651 N ARG A 44 10.313 5.866 -6.382 1.00 0.00 N ATOM 652 CA ARG A 44 11.408 5.182 -5.706 1.00 0.00 C ATOM 653 C ARG A 44 10.884 4.300 -4.575 1.00 0.00 C ATOM 654 O ARG A 44 10.019 4.713 -3.803 1.00 0.00 O ATOM 655 CB ARG A 44 12.408 6.198 -5.153 1.00 0.00 C ATOM 656 CG ARG A 44 13.860 5.794 -5.351 1.00 0.00 C ATOM 657 CD ARG A 44 14.493 6.543 -6.514 1.00 0.00 C ATOM 658 NE ARG A 44 14.602 7.975 -6.250 1.00 0.00 N ATOM 659 CZ ARG A 44 15.542 8.511 -5.479 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.451 7.737 -4.903 1.00 0.00 N ATOM 661 NH2 ARG A 44 15.575 9.823 -5.287 1.00 0.00 N ATOM 0 H ARG A 44 9.390 5.666 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 44 11.911 4.547 -6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.239 7.161 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.220 6.337 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.422 5.994 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.919 4.721 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.484 6.135 -6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.898 6.385 -7.414 1.00 0.00 H new ATOM 0 HE ARG A 44 13.919 8.598 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.430 6.728 -5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.172 8.150 -4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.878 10.421 -5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.297 10.234 -4.695 1.00 0.00 H new ATOM 675 N VAL A 45 11.414 3.085 -4.485 1.00 0.00 N ATOM 676 CA VAL A 45 11.002 2.146 -3.449 1.00 0.00 C ATOM 677 C VAL A 45 12.187 1.717 -2.591 1.00 0.00 C ATOM 678 O VAL A 45 13.312 1.604 -3.080 1.00 0.00 O ATOM 679 CB VAL A 45 10.342 0.894 -4.057 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.862 -0.043 -2.959 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.194 1.289 -4.973 1.00 0.00 C ATOM 0 H VAL A 45 12.130 2.728 -5.117 1.00 0.00 H new ATOM 0 HA VAL A 45 10.275 2.664 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 45 11.086 0.365 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.399 -0.922 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.710 -0.352 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.133 0.472 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.739 0.392 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.447 1.841 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.572 1.917 -5.780 1.00 0.00 H new ATOM 691 N LYS A 46 11.928 1.478 -1.310 1.00 0.00 N ATOM 692 CA LYS A 46 12.972 1.059 -0.383 1.00 0.00 C ATOM 693 C LYS A 46 12.440 0.026 0.604 1.00 0.00 C ATOM 694 O LYS A 46 11.342 0.171 1.140 1.00 0.00 O ATOM 695 CB LYS A 46 13.523 2.269 0.376 1.00 0.00 C ATOM 696 CG LYS A 46 15.000 2.153 0.715 1.00 0.00 C ATOM 697 CD LYS A 46 15.857 2.104 -0.539 1.00 0.00 C ATOM 698 CE LYS A 46 17.232 2.706 -0.297 1.00 0.00 C ATOM 699 NZ LYS A 46 18.253 2.149 -1.226 1.00 0.00 N ATOM 0 H LYS A 46 11.003 1.568 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 46 13.776 0.603 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.366 3.166 -0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.956 2.398 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.301 3.001 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.169 1.254 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.964 1.070 -0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.358 2.645 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.181 3.788 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.536 2.516 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.176 2.585 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.320 1.120 -1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.977 2.353 -2.208 1.00 0.00 H new ATOM 713 N LYS A 47 13.228 -1.019 0.842 1.00 0.00 N ATOM 714 CA LYS A 47 12.838 -2.076 1.766 1.00 0.00 C ATOM 715 C LYS A 47 13.296 -1.755 3.185 1.00 0.00 C ATOM 716 O LYS A 47 14.465 -1.938 3.528 1.00 0.00 O ATOM 717 CB LYS A 47 13.429 -3.416 1.319 1.00 0.00 C ATOM 718 CG LYS A 47 12.512 -4.600 1.573 1.00 0.00 C ATOM 719 CD LYS A 47 12.483 -5.546 0.384 1.00 0.00 C ATOM 720 CE LYS A 47 11.776 -6.849 0.726 1.00 0.00 C ATOM 721 NZ LYS A 47 12.701 -8.014 0.665 1.00 0.00 N ATOM 0 H LYS A 47 14.140 -1.155 0.407 1.00 0.00 H new ATOM 0 HA LYS A 47 11.750 -2.145 1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.657 -3.366 0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.372 -3.579 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.848 -5.138 2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.503 -4.243 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.977 -5.065 -0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.502 -5.758 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.347 -6.778 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.948 -7.006 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.435 -8.627 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.676 -7.677 0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.640 -8.553 1.552 1.00 0.00 H new ATOM 735 N LEU A 48 12.369 -1.275 4.006 1.00 0.00 N ATOM 736 CA LEU A 48 12.677 -0.929 5.390 1.00 0.00 C ATOM 737 C LEU A 48 11.748 -1.659 6.354 1.00 0.00 C ATOM 738 O LEU A 48 10.554 -1.369 6.423 1.00 0.00 O ATOM 739 CB LEU A 48 12.560 0.582 5.596 1.00 0.00 C ATOM 740 CG LEU A 48 13.749 1.419 5.121 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.022 0.988 5.832 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.913 1.305 3.613 1.00 0.00 C ATOM 0 H LEU A 48 11.398 -1.116 3.738 1.00 0.00 H new ATOM 0 HA LEU A 48 13.701 -1.240 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.666 0.931 5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.408 0.773 6.658 1.00 0.00 H new ATOM 0 HG LEU A 48 13.556 2.463 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.857 1.594 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.902 1.123 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.221 -0.062 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.764 1.907 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.084 0.263 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.009 1.663 3.121 1.00 0.00 H new ATOM 754 N LYS A 49 12.305 -2.608 7.100 1.00 0.00 N ATOM 755 CA LYS A 49 11.528 -3.378 8.063 1.00 0.00 C ATOM 756 C LYS A 49 10.448 -4.195 7.362 1.00 0.00 C ATOM 757 O LYS A 49 10.499 -4.400 6.150 1.00 0.00 O ATOM 758 CB LYS A 49 10.889 -2.447 9.096 1.00 0.00 C ATOM 759 CG LYS A 49 10.989 -2.959 10.522 1.00 0.00 C ATOM 760 CD LYS A 49 11.534 -1.895 11.460 1.00 0.00 C ATOM 761 CE LYS A 49 11.761 -2.447 12.859 1.00 0.00 C ATOM 762 NZ LYS A 49 13.197 -2.393 13.249 1.00 0.00 N ATOM 0 H LYS A 49 13.292 -2.862 7.055 1.00 0.00 H new ATOM 0 HA LYS A 49 12.205 -4.064 8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.367 -1.469 9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.838 -2.304 8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.005 -3.278 10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.636 -3.836 10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.472 -1.506 11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.837 -1.058 11.507 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.168 -1.877 13.575 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.411 -3.478 12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.311 -2.778 14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.760 -2.957 12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.525 -1.406 13.231 1.00 0.00 H new ATOM 776 N ASP A 50 9.470 -4.659 8.133 1.00 0.00 N ATOM 777 CA ASP A 50 8.375 -5.452 7.584 1.00 0.00 C ATOM 778 C ASP A 50 7.586 -4.650 6.555 1.00 0.00 C ATOM 779 O ASP A 50 6.820 -5.211 5.771 1.00 0.00 O ATOM 780 CB ASP A 50 7.446 -5.921 8.705 1.00 0.00 C ATOM 781 CG ASP A 50 7.692 -7.365 9.094 1.00 0.00 C ATOM 782 OD1 ASP A 50 8.839 -7.834 8.943 1.00 0.00 O ATOM 783 OD2 ASP A 50 6.737 -8.027 9.552 1.00 0.00 O ATOM 0 H ASP A 50 9.413 -4.500 9.139 1.00 0.00 H new ATOM 0 HA ASP A 50 8.803 -6.323 7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.585 -5.284 9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.410 -5.805 8.387 1.00 0.00 H new ATOM 788 N TYR A 51 7.777 -3.335 6.564 1.00 0.00 N ATOM 789 CA TYR A 51 7.080 -2.455 5.633 1.00 0.00 C ATOM 790 C TYR A 51 8.026 -1.951 4.548 1.00 0.00 C ATOM 791 O TYR A 51 9.184 -2.362 4.479 1.00 0.00 O ATOM 792 CB TYR A 51 6.466 -1.271 6.382 1.00 0.00 C ATOM 793 CG TYR A 51 7.442 -0.559 7.293 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.310 0.405 6.797 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.493 -0.852 8.651 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.202 1.056 7.626 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.382 -0.204 9.487 1.00 0.00 C ATOM 798 CZ TYR A 51 9.234 0.748 8.970 1.00 0.00 C ATOM 799 OH TYR A 51 10.122 1.396 9.800 1.00 0.00 O ATOM 0 H TYR A 51 8.408 -2.855 7.205 1.00 0.00 H new ATOM 0 HA TYR A 51 6.284 -3.028 5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.072 -0.558 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.621 -1.624 6.973 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.287 0.650 5.745 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.827 -1.598 9.059 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.871 1.802 7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.409 -0.442 10.540 1.00 0.00 H new ATOM 0 HH TYR A 51 10.016 1.064 10.716 1.00 0.00 H new ATOM 809 N ALA A 52 7.523 -1.057 3.702 1.00 0.00 N ATOM 810 CA ALA A 52 8.323 -0.494 2.621 1.00 0.00 C ATOM 811 C ALA A 52 7.953 0.962 2.366 1.00 0.00 C ATOM 812 O ALA A 52 6.867 1.412 2.735 1.00 0.00 O ATOM 813 CB ALA A 52 8.148 -1.316 1.353 1.00 0.00 C ATOM 0 H ALA A 52 6.566 -0.707 3.745 1.00 0.00 H new ATOM 0 HA ALA A 52 9.370 -0.528 2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.751 -0.885 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.469 -2.341 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.099 -1.312 1.059 1.00 0.00 H new ATOM 819 N PHE A 53 8.861 1.697 1.733 1.00 0.00 N ATOM 820 CA PHE A 53 8.631 3.105 1.430 1.00 0.00 C ATOM 821 C PHE A 53 8.671 3.351 -0.076 1.00 0.00 C ATOM 822 O PHE A 53 9.736 3.323 -0.692 1.00 0.00 O ATOM 823 CB PHE A 53 9.675 3.977 2.129 1.00 0.00 C ATOM 824 CG PHE A 53 9.412 4.171 3.594 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.180 4.625 4.036 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.396 3.897 4.531 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.935 4.806 5.384 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.156 4.074 5.880 1.00 0.00 C ATOM 829 CZ PHE A 53 8.923 4.528 6.308 1.00 0.00 C ATOM 0 H PHE A 53 9.764 1.341 1.420 1.00 0.00 H new ATOM 0 HA PHE A 53 7.640 3.373 1.798 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.658 3.524 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.707 4.952 1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.402 4.840 3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.361 3.541 4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.971 5.165 5.715 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.932 3.858 6.600 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.733 4.665 7.362 1.00 0.00 H new ATOM 839 N VAL A 54 7.502 3.590 -0.662 1.00 0.00 N ATOM 840 CA VAL A 54 7.402 3.841 -2.094 1.00 0.00 C ATOM 841 C VAL A 54 6.907 5.256 -2.371 1.00 0.00 C ATOM 842 O VAL A 54 6.037 5.769 -1.667 1.00 0.00 O ATOM 843 CB VAL A 54 6.456 2.835 -2.776 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.484 3.015 -4.286 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.829 1.411 -2.393 1.00 0.00 C ATOM 0 H VAL A 54 6.611 3.615 -0.166 1.00 0.00 H new ATOM 0 HA VAL A 54 8.404 3.723 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 54 5.440 3.026 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.810 2.296 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.165 4.026 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.497 2.852 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.151 0.713 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.852 1.205 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.752 1.293 -1.312 1.00 0.00 H new ATOM 855 N HIS A 55 7.466 5.882 -3.402 1.00 0.00 N ATOM 856 CA HIS A 55 7.080 7.239 -3.773 1.00 0.00 C ATOM 857 C HIS A 55 6.377 7.252 -5.126 1.00 0.00 C ATOM 858 O HIS A 55 6.646 6.413 -5.985 1.00 0.00 O ATOM 859 CB HIS A 55 8.309 8.148 -3.815 1.00 0.00 C ATOM 860 CG HIS A 55 8.822 8.526 -2.458 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.770 9.812 -1.965 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.397 7.776 -1.490 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.292 9.838 -0.753 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.681 8.614 -0.440 1.00 0.00 N ATOM 0 H HIS A 55 8.187 5.472 -3.995 1.00 0.00 H new ATOM 0 HA HIS A 55 6.387 7.613 -3.019 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.103 7.646 -4.368 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.061 9.055 -4.366 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.596 6.715 -1.535 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.385 10.711 -0.124 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.120 8.337 0.438 1.00 0.00 H new ATOM 872 N PHE A 56 5.474 8.210 -5.309 1.00 0.00 N ATOM 873 CA PHE A 56 4.730 8.331 -6.557 1.00 0.00 C ATOM 874 C PHE A 56 4.892 9.727 -7.154 1.00 0.00 C ATOM 875 O PHE A 56 5.139 10.694 -6.434 1.00 0.00 O ATOM 876 CB PHE A 56 3.247 8.035 -6.323 1.00 0.00 C ATOM 877 CG PHE A 56 2.935 6.567 -6.248 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.063 5.879 -5.052 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.514 5.876 -7.372 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.776 4.528 -4.979 1.00 0.00 C ATOM 881 CE2 PHE A 56 2.224 4.526 -7.305 1.00 0.00 C ATOM 882 CZ PHE A 56 2.357 3.852 -6.108 1.00 0.00 C ATOM 0 H PHE A 56 5.240 8.914 -4.609 1.00 0.00 H new ATOM 0 HA PHE A 56 5.132 7.603 -7.262 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.931 8.514 -5.396 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.664 8.482 -7.128 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.391 6.404 -4.167 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.411 6.398 -8.312 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.879 4.003 -4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.894 3.999 -8.188 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.134 2.797 -6.054 1.00 0.00 H new ATOM 892 N GLU A 57 4.752 9.821 -8.472 1.00 0.00 N ATOM 893 CA GLU A 57 4.886 11.096 -9.165 1.00 0.00 C ATOM 894 C GLU A 57 3.929 12.134 -8.584 1.00 0.00 C ATOM 895 O GLU A 57 4.181 13.336 -8.659 1.00 0.00 O ATOM 896 CB GLU A 57 4.616 10.919 -10.661 1.00 0.00 C ATOM 897 CG GLU A 57 3.365 10.112 -10.963 1.00 0.00 C ATOM 898 CD GLU A 57 2.396 10.852 -11.866 1.00 0.00 C ATOM 899 OE1 GLU A 57 2.270 12.085 -11.717 1.00 0.00 O ATOM 900 OE2 GLU A 57 1.766 10.196 -12.722 1.00 0.00 O ATOM 0 H GLU A 57 4.546 9.029 -9.081 1.00 0.00 H new ATOM 0 HA GLU A 57 5.907 11.450 -9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.525 11.902 -11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.474 10.429 -11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.649 9.171 -11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.865 9.861 -10.028 1.00 0.00 H new ATOM 907 N ASP A 58 2.833 11.659 -8.005 1.00 0.00 N ATOM 908 CA ASP A 58 1.838 12.543 -7.410 1.00 0.00 C ATOM 909 C ASP A 58 0.950 11.783 -6.430 1.00 0.00 C ATOM 910 O ASP A 58 1.194 10.613 -6.136 1.00 0.00 O ATOM 911 CB ASP A 58 0.980 13.189 -8.500 1.00 0.00 C ATOM 912 CG ASP A 58 1.054 14.703 -8.476 1.00 0.00 C ATOM 913 OD1 ASP A 58 0.878 15.288 -7.387 1.00 0.00 O ATOM 914 OD2 ASP A 58 1.290 15.302 -9.546 1.00 0.00 O ATOM 0 H ASP A 58 2.611 10.666 -7.935 1.00 0.00 H new ATOM 0 HA ASP A 58 2.365 13.324 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.305 12.828 -9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.057 12.877 -8.374 1.00 0.00 H new ATOM 919 N ARG A 59 -0.080 12.456 -5.927 1.00 0.00 N ATOM 920 CA ARG A 59 -1.003 11.844 -4.979 1.00 0.00 C ATOM 921 C ARG A 59 -2.034 10.982 -5.703 1.00 0.00 C ATOM 922 O ARG A 59 -2.460 9.947 -5.193 1.00 0.00 O ATOM 923 CB ARG A 59 -1.711 12.922 -4.156 1.00 0.00 C ATOM 924 CG ARG A 59 -2.678 12.364 -3.125 1.00 0.00 C ATOM 925 CD ARG A 59 -3.500 13.467 -2.477 1.00 0.00 C ATOM 926 NE ARG A 59 -4.908 13.099 -2.351 1.00 0.00 N ATOM 927 CZ ARG A 59 -5.366 12.248 -1.439 1.00 0.00 C ATOM 928 NH1 ARG A 59 -4.532 11.681 -0.579 1.00 0.00 N ATOM 929 NH2 ARG A 59 -6.661 11.964 -1.388 1.00 0.00 N ATOM 0 H ARG A 59 -0.296 13.425 -6.160 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.427 11.205 -4.310 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.962 13.530 -3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.254 13.584 -4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.344 11.645 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.122 11.825 -2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.094 13.690 -1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.415 14.378 -3.069 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.576 13.518 -2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.536 11.898 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.886 11.028 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.305 12.399 -2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.013 11.311 -0.688 1.00 0.00 H new ATOM 943 N GLY A 60 -2.431 11.419 -6.893 1.00 0.00 N ATOM 944 CA GLY A 60 -3.410 10.676 -7.667 1.00 0.00 C ATOM 945 C GLY A 60 -2.925 9.289 -8.035 1.00 0.00 C ATOM 946 O GLY A 60 -3.729 8.386 -8.268 1.00 0.00 O ATOM 0 H GLY A 60 -2.093 12.274 -7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.335 10.595 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.645 11.229 -8.577 1.00 0.00 H new ATOM 950 N ALA A 61 -1.609 9.118 -8.090 1.00 0.00 N ATOM 951 CA ALA A 61 -1.019 7.829 -8.433 1.00 0.00 C ATOM 952 C ALA A 61 -0.890 6.941 -7.200 1.00 0.00 C ATOM 953 O ALA A 61 -0.864 5.715 -7.308 1.00 0.00 O ATOM 954 CB ALA A 61 0.340 8.029 -9.086 1.00 0.00 C ATOM 0 H ALA A 61 -0.930 9.856 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.680 7.330 -9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.769 7.059 -9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.224 8.620 -9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.002 8.551 -8.395 1.00 0.00 H new ATOM 960 N ALA A 62 -0.809 7.566 -6.031 1.00 0.00 N ATOM 961 CA ALA A 62 -0.684 6.831 -4.779 1.00 0.00 C ATOM 962 C ALA A 62 -2.049 6.382 -4.266 1.00 0.00 C ATOM 963 O ALA A 62 -2.223 5.235 -3.857 1.00 0.00 O ATOM 964 CB ALA A 62 0.020 7.684 -3.733 1.00 0.00 C ATOM 0 H ALA A 62 -0.828 8.580 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.085 5.940 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.106 7.122 -2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.015 7.950 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.556 8.592 -3.556 1.00 0.00 H new ATOM 970 N VAL A 63 -3.014 7.296 -4.291 1.00 0.00 N ATOM 971 CA VAL A 63 -4.364 6.994 -3.830 1.00 0.00 C ATOM 972 C VAL A 63 -5.011 5.916 -4.691 1.00 0.00 C ATOM 973 O VAL A 63 -5.461 4.888 -4.185 1.00 0.00 O ATOM 974 CB VAL A 63 -5.255 8.250 -3.843 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.659 7.915 -3.363 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.639 9.350 -2.991 1.00 0.00 C ATOM 0 H VAL A 63 -2.886 8.251 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.275 6.631 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.325 8.613 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.274 8.815 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.098 7.164 -4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.613 7.526 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.282 10.230 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.536 9.000 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.657 9.609 -3.386 1.00 0.00 H new ATOM 986 N LYS A 64 -5.055 6.157 -5.997 1.00 0.00 N ATOM 987 CA LYS A 64 -5.645 5.206 -6.931 1.00 0.00 C ATOM 988 C LYS A 64 -5.025 3.822 -6.764 1.00 0.00 C ATOM 989 O LYS A 64 -5.674 2.807 -7.014 1.00 0.00 O ATOM 990 CB LYS A 64 -5.457 5.690 -8.371 1.00 0.00 C ATOM 991 CG LYS A 64 -5.978 4.717 -9.414 1.00 0.00 C ATOM 992 CD LYS A 64 -4.847 4.116 -10.231 1.00 0.00 C ATOM 993 CE LYS A 64 -5.377 3.293 -11.396 1.00 0.00 C ATOM 994 NZ LYS A 64 -6.223 4.109 -12.310 1.00 0.00 N ATOM 0 H LYS A 64 -4.689 7.003 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.711 5.136 -6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.965 6.646 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.397 5.868 -8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.536 3.920 -8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.674 5.231 -10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.206 4.913 -10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.229 3.486 -9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.541 2.872 -11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.959 2.455 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.271 3.649 -13.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.181 4.192 -11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.808 5.057 -12.413 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.766 3.791 -6.340 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.061 2.531 -6.137 1.00 0.00 C ATOM 1010 C ALA A 65 -3.468 1.881 -4.819 1.00 0.00 C ATOM 1011 O ALA A 65 -3.993 0.768 -4.802 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.556 2.758 -6.172 1.00 0.00 C ATOM 0 H ALA A 65 -3.214 4.623 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.335 1.854 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.041 1.809 -6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.273 3.173 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.275 3.455 -5.382 1.00 0.00 H new ATOM 1018 N MET A 66 -3.222 2.581 -3.717 1.00 0.00 N ATOM 1019 CA MET A 66 -3.563 2.070 -2.395 1.00 0.00 C ATOM 1020 C MET A 66 -5.045 1.714 -2.316 1.00 0.00 C ATOM 1021 O MET A 66 -5.448 0.864 -1.522 1.00 0.00 O ATOM 1022 CB MET A 66 -3.217 3.103 -1.321 1.00 0.00 C ATOM 1023 CG MET A 66 -3.738 2.741 0.061 1.00 0.00 C ATOM 1024 SD MET A 66 -5.282 3.580 0.464 1.00 0.00 S ATOM 1025 CE MET A 66 -4.692 5.240 0.785 1.00 0.00 C ATOM 0 H MET A 66 -2.788 3.504 -3.713 1.00 0.00 H new ATOM 0 HA MET A 66 -2.980 1.166 -2.220 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.134 3.217 -1.274 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.627 4.070 -1.613 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.890 1.663 0.117 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.985 2.996 0.807 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.423 5.775 1.391 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.743 5.192 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.550 5.765 -0.160 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.851 2.371 -3.143 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.288 2.123 -3.167 1.00 0.00 C ATOM 1037 C ASP A 67 -7.581 0.658 -3.475 1.00 0.00 C ATOM 1038 O ASP A 67 -8.381 0.019 -2.792 1.00 0.00 O ATOM 1039 CB ASP A 67 -7.965 3.020 -4.204 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.585 4.257 -3.585 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -9.236 4.127 -2.527 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -8.419 5.354 -4.157 1.00 0.00 O ATOM 0 H ASP A 67 -5.534 3.079 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.688 2.356 -2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.233 3.321 -4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.737 2.452 -4.723 1.00 0.00 H new ATOM 1047 N GLU A 68 -6.930 0.134 -4.507 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.123 -1.256 -4.906 1.00 0.00 C ATOM 1049 C GLU A 68 -6.172 -2.177 -4.146 1.00 0.00 C ATOM 1050 O GLU A 68 -6.581 -3.217 -3.628 1.00 0.00 O ATOM 1051 CB GLU A 68 -6.906 -1.412 -6.413 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.962 -0.715 -7.255 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.299 -1.431 -7.225 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -9.443 -2.448 -7.935 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.200 -0.973 -6.492 1.00 0.00 O ATOM 0 H GLU A 68 -6.264 0.650 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.147 -1.539 -4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.925 -1.015 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.896 -2.473 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.093 0.306 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.613 -0.648 -8.286 1.00 0.00 H new ATOM 1062 N MET A 69 -4.903 -1.789 -4.086 1.00 0.00 N ATOM 1063 CA MET A 69 -3.895 -2.579 -3.390 1.00 0.00 C ATOM 1064 C MET A 69 -4.346 -2.906 -1.970 1.00 0.00 C ATOM 1065 O MET A 69 -4.003 -3.955 -1.427 1.00 0.00 O ATOM 1066 CB MET A 69 -2.563 -1.826 -3.353 1.00 0.00 C ATOM 1067 CG MET A 69 -1.919 -1.664 -4.720 1.00 0.00 C ATOM 1068 SD MET A 69 -1.413 -3.238 -5.441 1.00 0.00 S ATOM 1069 CE MET A 69 -0.117 -3.729 -4.307 1.00 0.00 C ATOM 0 H MET A 69 -4.548 -0.932 -4.511 1.00 0.00 H new ATOM 0 HA MET A 69 -3.762 -3.514 -3.935 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.724 -0.840 -2.917 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.873 -2.356 -2.696 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.621 -1.170 -5.392 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.049 -1.013 -4.633 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.790 -3.955 -4.867 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.081 -2.917 -3.608 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.433 -4.614 -3.755 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.117 -2.002 -1.374 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.614 -2.195 -0.018 1.00 0.00 C ATOM 1081 C ASN A 70 -6.365 -3.517 0.104 1.00 0.00 C ATOM 1082 O ASN A 70 -7.517 -3.629 -0.313 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.530 -1.036 0.383 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.399 -1.373 1.579 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -8.565 -1.737 1.428 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -6.833 -1.252 2.774 1.00 0.00 N ATOM 0 H ASN A 70 -5.411 -1.128 -1.810 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.757 -2.221 0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.923 -0.160 0.613 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.166 -0.770 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.368 -1.464 3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.863 -0.947 2.850 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.703 -4.517 0.678 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.324 -5.818 0.844 1.00 0.00 C ATOM 1095 C GLY A 71 -6.046 -6.746 -0.322 1.00 0.00 C ATOM 1096 O GLY A 71 -6.966 -7.343 -0.883 1.00 0.00 O ATOM 0 H GLY A 71 -4.748 -4.449 1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.960 -6.276 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.401 -5.692 0.955 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.776 -6.867 -0.690 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.377 -7.728 -1.797 1.00 0.00 C ATOM 1102 C LYS A 72 -3.491 -8.869 -1.308 1.00 0.00 C ATOM 1103 O LYS A 72 -3.110 -8.913 -0.139 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.638 -6.915 -2.862 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.501 -6.551 -4.057 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.565 -7.686 -5.066 1.00 0.00 C ATOM 1107 CE LYS A 72 -3.367 -7.668 -6.001 1.00 0.00 C ATOM 1108 NZ LYS A 72 -3.529 -8.627 -7.130 1.00 0.00 N ATOM 0 H LYS A 72 -4.003 -6.379 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.279 -8.155 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.256 -6.000 -2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.775 -7.484 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.508 -6.307 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.101 -5.658 -4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.603 -8.640 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.483 -7.606 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.230 -6.662 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.465 -7.916 -5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.691 -8.584 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.634 -9.591 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.375 -8.376 -7.680 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.168 -9.790 -2.211 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.327 -10.931 -1.869 1.00 0.00 C ATOM 1124 C GLU A 73 -1.060 -10.946 -2.719 1.00 0.00 C ATOM 1125 O GLU A 73 -1.125 -10.959 -3.949 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.099 -12.239 -2.061 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.235 -13.481 -1.927 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.009 -14.761 -2.180 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -4.025 -14.985 -1.488 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -2.600 -15.536 -3.068 1.00 0.00 O ATOM 0 H GLU A 73 -3.476 -9.768 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.041 -10.838 -0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.905 -12.286 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.564 -12.235 -3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.404 -13.418 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.804 -13.513 -0.926 1.00 0.00 H new ATOM 1137 N ILE A 74 0.090 -10.943 -2.055 1.00 0.00 N ATOM 1138 CA ILE A 74 1.372 -10.957 -2.749 1.00 0.00 C ATOM 1139 C ILE A 74 2.262 -12.086 -2.239 1.00 0.00 C ATOM 1140 O ILE A 74 2.606 -12.132 -1.058 1.00 0.00 O ATOM 1141 CB ILE A 74 2.116 -9.618 -2.585 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.261 -8.467 -3.118 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.457 -9.666 -3.302 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.854 -7.100 -2.849 1.00 0.00 C ATOM 0 H ILE A 74 0.161 -10.931 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 74 1.156 -11.117 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 74 2.300 -9.448 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.127 -8.591 -4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.271 -8.520 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.971 -8.713 -3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.067 -10.465 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.296 -9.855 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.195 -6.332 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.962 -6.955 -1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.832 -7.028 -3.325 1.00 0.00 H new ATOM 1156 N GLU A 75 2.632 -12.993 -3.137 1.00 0.00 N ATOM 1157 CA GLU A 75 3.483 -14.121 -2.778 1.00 0.00 C ATOM 1158 C GLU A 75 2.837 -14.961 -1.680 1.00 0.00 C ATOM 1159 O GLU A 75 3.526 -15.610 -0.894 1.00 0.00 O ATOM 1160 CB GLU A 75 4.856 -13.625 -2.315 1.00 0.00 C ATOM 1161 CG GLU A 75 6.017 -14.388 -2.930 1.00 0.00 C ATOM 1162 CD GLU A 75 6.317 -13.947 -4.350 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.362 -13.607 -5.081 1.00 0.00 O ATOM 1164 OE2 GLU A 75 7.506 -13.943 -4.731 1.00 0.00 O ATOM 0 H GLU A 75 2.356 -12.969 -4.119 1.00 0.00 H new ATOM 0 HA GLU A 75 3.609 -14.745 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.954 -12.568 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.915 -13.704 -1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.906 -14.248 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.790 -15.454 -2.925 1.00 0.00 H new ATOM 1171 N GLY A 76 1.508 -14.942 -1.632 1.00 0.00 N ATOM 1172 CA GLY A 76 0.791 -15.705 -0.628 1.00 0.00 C ATOM 1173 C GLY A 76 0.930 -15.111 0.759 1.00 0.00 C ATOM 1174 O GLY A 76 0.764 -15.809 1.759 1.00 0.00 O ATOM 0 H GLY A 76 0.916 -14.412 -2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.264 -15.751 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.163 -16.730 -0.620 1.00 0.00 H new ATOM 1178 N GLU A 77 1.235 -13.818 0.820 1.00 0.00 N ATOM 1179 CA GLU A 77 1.398 -13.132 2.097 1.00 0.00 C ATOM 1180 C GLU A 77 0.414 -11.973 2.221 1.00 0.00 C ATOM 1181 O GLU A 77 0.320 -11.128 1.331 1.00 0.00 O ATOM 1182 CB GLU A 77 2.832 -12.618 2.244 1.00 0.00 C ATOM 1183 CG GLU A 77 3.778 -13.625 2.874 1.00 0.00 C ATOM 1184 CD GLU A 77 3.630 -13.703 4.381 1.00 0.00 C ATOM 1185 OE1 GLU A 77 4.166 -12.814 5.076 1.00 0.00 O ATOM 1186 OE2 GLU A 77 2.978 -14.651 4.866 1.00 0.00 O ATOM 0 H GLU A 77 1.374 -13.225 0.001 1.00 0.00 H new ATOM 0 HA GLU A 77 1.192 -13.846 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.212 -12.341 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.824 -11.712 2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.594 -14.609 2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.805 -13.356 2.627 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.317 -11.941 3.331 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.295 -10.887 3.571 1.00 0.00 C ATOM 1195 C GLU A 78 -0.611 -9.528 3.692 1.00 0.00 C ATOM 1196 O GLU A 78 -0.024 -9.208 4.726 1.00 0.00 O ATOM 1197 CB GLU A 78 -2.096 -11.182 4.840 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.348 -12.008 4.591 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.578 -11.416 5.253 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -5.233 -10.557 4.625 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -4.885 -11.811 6.396 1.00 0.00 O ATOM 0 H GLU A 78 -0.250 -12.633 4.078 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.976 -10.858 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.457 -11.710 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.380 -10.239 5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.520 -12.086 3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.191 -13.020 4.963 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.693 -8.734 2.630 1.00 0.00 N ATOM 1209 CA ILE A 79 -0.083 -7.410 2.618 1.00 0.00 C ATOM 1210 C ILE A 79 -1.024 -6.366 3.207 1.00 0.00 C ATOM 1211 O ILE A 79 -2.232 -6.404 2.975 1.00 0.00 O ATOM 1212 CB ILE A 79 0.311 -6.985 1.191 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.904 -7.052 0.263 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.435 -7.864 0.667 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -1.167 -5.763 -0.483 1.00 0.00 C ATOM 0 H ILE A 79 -1.176 -8.984 1.767 1.00 0.00 H new ATOM 0 HA ILE A 79 0.816 -7.471 3.231 1.00 0.00 H new ATOM 0 HB ILE A 79 0.667 -5.955 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.756 -7.856 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.786 -7.309 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.702 -7.551 -0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.304 -7.770 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.106 -8.903 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.042 -5.884 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.347 -4.959 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.302 -5.515 -1.097 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.462 -5.432 3.969 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.252 -4.376 4.591 1.00 0.00 C ATOM 1229 C GLU A 80 -0.871 -3.010 4.030 1.00 0.00 C ATOM 1230 O GLU A 80 0.259 -2.801 3.589 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.059 -4.389 6.108 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.362 -4.390 6.888 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.242 -3.688 8.227 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -1.198 -3.854 8.893 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.190 -2.972 8.610 1.00 0.00 O ATOM 0 H GLU A 80 0.537 -5.386 4.170 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.302 -4.562 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.479 -5.270 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.472 -3.517 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.136 -3.903 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.684 -5.419 7.049 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.822 -2.082 4.049 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.586 -0.736 3.543 1.00 0.00 C ATOM 1244 C ILE A 81 -2.293 0.307 4.403 1.00 0.00 C ATOM 1245 O ILE A 81 -3.438 0.118 4.812 1.00 0.00 O ATOM 1246 CB ILE A 81 -2.063 -0.590 2.085 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.463 -1.698 1.217 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.687 0.780 1.539 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -2.003 -1.716 -0.196 1.00 0.00 C ATOM 0 H ILE A 81 -2.763 -2.238 4.410 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.510 -0.569 3.584 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.149 -0.683 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.380 -1.576 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.660 -2.662 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.031 0.868 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.156 1.555 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.604 0.900 1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.534 -2.526 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.082 -1.869 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.783 -0.766 -0.682 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.601 1.410 4.673 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.163 2.484 5.483 1.00 0.00 C ATOM 1263 C VAL A 82 -1.606 3.839 5.060 1.00 0.00 C ATOM 1264 O VAL A 82 -0.483 3.934 4.564 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.875 2.269 6.981 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.460 0.946 7.452 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.379 2.325 7.249 1.00 0.00 C ATOM 0 H VAL A 82 -0.651 1.583 4.343 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.241 2.470 5.323 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.352 3.071 7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.247 0.811 8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.539 0.949 7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.014 0.129 6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.194 2.171 8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.123 1.545 6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.008 3.299 6.951 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.399 4.887 5.260 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.985 6.239 4.900 1.00 0.00 C ATOM 1279 C LEU A 83 -0.887 6.739 5.834 1.00 0.00 C ATOM 1280 O LEU A 83 -1.124 6.964 7.020 1.00 0.00 O ATOM 1281 CB LEU A 83 -3.183 7.189 4.947 1.00 0.00 C ATOM 1282 CG LEU A 83 -4.072 7.209 3.703 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.427 7.820 4.025 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.394 7.974 2.575 1.00 0.00 C ATOM 0 H LEU A 83 -3.331 4.826 5.669 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.589 6.214 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.799 6.922 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.813 8.200 5.121 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.229 6.181 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.046 7.826 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.917 7.231 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.291 8.842 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.041 7.978 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.207 9.000 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.448 7.493 2.326 1.00 0.00 H new ATOM 1296 N ALA A 84 0.312 6.914 5.290 1.00 0.00 N ATOM 1297 CA ALA A 84 1.444 7.391 6.073 1.00 0.00 C ATOM 1298 C ALA A 84 1.286 8.868 6.422 1.00 0.00 C ATOM 1299 O ALA A 84 1.398 9.737 5.558 1.00 0.00 O ATOM 1300 CB ALA A 84 2.744 7.164 5.316 1.00 0.00 C ATOM 0 H ALA A 84 0.525 6.732 4.309 1.00 0.00 H new ATOM 0 HA ALA A 84 1.474 6.824 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.581 7.525 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.870 6.099 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.713 7.705 4.370 1.00 0.00 H new