USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 499 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 44 ASN :FLIP amide:sc= -3.66 F(o=-6.7!,f=-4.8) USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -1.17 F(o=-6.1!,f=-4.8) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0245 F(o=-1.7!,f=-0.024) USER MOD Single : A 18 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.33) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.034) USER MOD Single : A 23 GLN : amide:sc= -1.93 K(o=-1.9,f=-5.5!) USER MOD Single : A 28 THR OG1 : rot 9:sc= -0.79! USER MOD Single : A 31 ASN : amide:sc= -0.275! C(o=-0.27!,f=-5.1!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00408 K(o=-0.0041,f=-0.97) USER MOD Single : A 37 GLN : amide:sc= -1.54! C(o=-1.5!,f=-2.9!) USER MOD Single : A 38 GLN : amide:sc= -0.0724 K(o=-0.072,f=-1.9!) USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= -0.231 (180deg=-1.55!) USER MOD Single : A 43 SER OG : rot 72:sc= -3.61! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -0.141 F(o=-1.9!,f=-0.14) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.931 K(o=-0.93,f=-2!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -33.384 -9.740 -1.446 1.00 0.00 N ATOM 251 CA GLN A 17 -33.323 -8.313 -1.740 1.00 0.00 C ATOM 252 C GLN A 17 -32.736 -8.084 -3.127 1.00 0.00 C ATOM 253 O GLN A 17 -33.257 -7.289 -3.907 1.00 0.00 O ATOM 254 CB GLN A 17 -32.467 -7.592 -0.698 1.00 0.00 C ATOM 255 CG GLN A 17 -33.375 -6.975 0.366 1.00 0.00 C ATOM 256 CD GLN A 17 -32.562 -6.067 1.281 1.00 0.00 C ATOM 257 OE1 GLN A 17 -31.433 -5.570 0.856 1.00 0.00 O flip ATOM 258 NE2 GLN A 17 -32.966 -5.801 2.413 1.00 0.00 N flip ATOM 0 HA GLN A 17 -34.336 -7.913 -1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -31.771 -8.292 -0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -31.869 -6.816 -1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -34.173 -6.405 -0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -33.851 -7.762 0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -33.849 -6.190 2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -32.418 -5.191 3.020 1.00 0.00 H new ATOM 267 N GLN A 18 -31.652 -8.788 -3.429 1.00 0.00 N ATOM 268 CA GLN A 18 -31.011 -8.652 -4.729 1.00 0.00 C ATOM 269 C GLN A 18 -32.051 -8.703 -5.842 1.00 0.00 C ATOM 270 O GLN A 18 -32.081 -7.837 -6.714 1.00 0.00 O ATOM 271 CB GLN A 18 -29.994 -9.775 -4.937 1.00 0.00 C ATOM 272 CG GLN A 18 -28.580 -9.233 -4.722 1.00 0.00 C ATOM 273 CD GLN A 18 -28.494 -8.506 -3.384 1.00 0.00 C ATOM 274 OE1 GLN A 18 -28.452 -7.277 -3.346 1.00 0.00 O ATOM 275 NE2 GLN A 18 -28.467 -9.197 -2.276 1.00 0.00 N ATOM 0 H GLN A 18 -31.203 -9.452 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 18 -30.500 -7.690 -4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -30.191 -10.591 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -30.089 -10.183 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -27.861 -10.052 -4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -28.316 -8.553 -5.532 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -28.502 -10.216 -2.309 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -28.411 -8.718 -1.377 1.00 0.00 H new ATOM 284 N THR A 19 -32.899 -9.727 -5.808 1.00 0.00 N ATOM 285 CA THR A 19 -33.930 -9.882 -6.826 1.00 0.00 C ATOM 286 C THR A 19 -35.034 -8.851 -6.641 1.00 0.00 C ATOM 287 O THR A 19 -35.432 -8.168 -7.583 1.00 0.00 O ATOM 288 CB THR A 19 -34.506 -11.306 -6.778 1.00 0.00 C ATOM 289 OG1 THR A 19 -34.694 -11.782 -8.102 1.00 0.00 O ATOM 290 CG2 THR A 19 -35.849 -11.321 -6.041 1.00 0.00 C ATOM 0 H THR A 19 -32.893 -10.455 -5.093 1.00 0.00 H new ATOM 0 HA THR A 19 -33.479 -9.718 -7.805 1.00 0.00 H new ATOM 0 HB THR A 19 -33.805 -11.948 -6.245 1.00 0.00 H new ATOM 0 HG1 THR A 19 -35.060 -12.691 -8.074 1.00 0.00 H new ATOM 0 HG21 THR A 19 -36.240 -12.338 -6.018 1.00 0.00 H new ATOM 0 HG22 THR A 19 -35.708 -10.963 -5.021 1.00 0.00 H new ATOM 0 HG23 THR A 19 -36.555 -10.672 -6.559 1.00 0.00 H new ATOM 298 N PHE A 20 -35.516 -8.752 -5.419 1.00 0.00 N ATOM 299 CA PHE A 20 -36.579 -7.808 -5.084 1.00 0.00 C ATOM 300 C PHE A 20 -36.275 -6.436 -5.676 1.00 0.00 C ATOM 301 O PHE A 20 -37.049 -5.896 -6.464 1.00 0.00 O ATOM 302 CB PHE A 20 -36.696 -7.695 -3.565 1.00 0.00 C ATOM 303 CG PHE A 20 -37.898 -6.861 -3.205 1.00 0.00 C ATOM 304 CD1 PHE A 20 -37.822 -5.464 -3.250 1.00 0.00 C ATOM 305 CD2 PHE A 20 -39.090 -7.485 -2.820 1.00 0.00 C ATOM 306 CE1 PHE A 20 -38.938 -4.692 -2.908 1.00 0.00 C ATOM 307 CE2 PHE A 20 -40.203 -6.712 -2.478 1.00 0.00 C ATOM 308 CZ PHE A 20 -40.127 -5.316 -2.523 1.00 0.00 C ATOM 0 H PHE A 20 -35.191 -9.314 -4.633 1.00 0.00 H new ATOM 0 HA PHE A 20 -37.519 -8.170 -5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -36.785 -8.688 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -35.793 -7.244 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -36.903 -4.982 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -39.150 -8.563 -2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -38.880 -3.614 -2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -41.123 -7.193 -2.179 1.00 0.00 H new ATOM 0 HZ PHE A 20 -40.988 -4.720 -2.260 1.00 0.00 H new ATOM 318 N LEU A 21 -35.139 -5.885 -5.282 1.00 0.00 N ATOM 319 CA LEU A 21 -34.713 -4.579 -5.766 1.00 0.00 C ATOM 320 C LEU A 21 -34.412 -4.643 -7.259 1.00 0.00 C ATOM 321 O LEU A 21 -34.900 -3.825 -8.036 1.00 0.00 O ATOM 322 CB LEU A 21 -33.465 -4.116 -5.010 1.00 0.00 C ATOM 323 CG LEU A 21 -33.753 -4.093 -3.506 1.00 0.00 C ATOM 324 CD1 LEU A 21 -32.435 -4.005 -2.733 1.00 0.00 C ATOM 325 CD2 LEU A 21 -34.618 -2.875 -3.168 1.00 0.00 C ATOM 0 H LEU A 21 -34.492 -6.322 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 21 -35.520 -3.866 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -32.631 -4.786 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -33.170 -3.123 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 21 -34.281 -5.005 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -32.641 -3.989 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -31.816 -4.870 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -31.908 -3.093 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -34.822 -2.860 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -34.090 -1.964 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -35.558 -2.933 -3.716 1.00 0.00 H new ATOM 337 N ASN A 22 -33.614 -5.627 -7.660 1.00 0.00 N ATOM 338 CA ASN A 22 -33.279 -5.777 -9.068 1.00 0.00 C ATOM 339 C ASN A 22 -34.542 -5.634 -9.902 1.00 0.00 C ATOM 340 O ASN A 22 -34.540 -5.005 -10.961 1.00 0.00 O ATOM 341 CB ASN A 22 -32.655 -7.148 -9.328 1.00 0.00 C ATOM 342 CG ASN A 22 -32.402 -7.322 -10.822 1.00 0.00 C ATOM 343 OD1 ASN A 22 -31.316 -7.009 -11.310 1.00 0.00 O ATOM 344 ND2 ASN A 22 -33.347 -7.803 -11.582 1.00 0.00 N ATOM 0 H ASN A 22 -33.194 -6.321 -7.041 1.00 0.00 H new ATOM 0 HA ASN A 22 -32.559 -5.006 -9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -31.719 -7.243 -8.777 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -33.318 -7.934 -8.967 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -33.187 -7.920 -12.582 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -34.246 -8.062 -11.176 1.00 0.00 H new ATOM 351 N GLN A 23 -35.627 -6.214 -9.404 1.00 0.00 N ATOM 352 CA GLN A 23 -36.899 -6.138 -10.098 1.00 0.00 C ATOM 353 C GLN A 23 -37.336 -4.683 -10.215 1.00 0.00 C ATOM 354 O GLN A 23 -37.682 -4.224 -11.300 1.00 0.00 O ATOM 355 CB GLN A 23 -37.964 -6.943 -9.347 1.00 0.00 C ATOM 356 CG GLN A 23 -37.775 -8.437 -9.621 1.00 0.00 C ATOM 357 CD GLN A 23 -38.348 -8.795 -10.988 1.00 0.00 C ATOM 358 OE1 GLN A 23 -38.141 -8.067 -11.958 1.00 0.00 O ATOM 359 NE2 GLN A 23 -39.061 -9.879 -11.123 1.00 0.00 N ATOM 0 H GLN A 23 -35.649 -6.737 -8.529 1.00 0.00 H new ATOM 0 HA GLN A 23 -36.781 -6.560 -11.096 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -37.892 -6.748 -8.277 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -38.959 -6.629 -9.662 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -36.715 -8.690 -9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -38.270 -9.022 -8.846 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -39.231 -10.481 -10.317 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -39.448 -10.125 -12.034 1.00 0.00 H new ATOM 368 N LEU A 24 -37.313 -3.960 -9.091 1.00 0.00 N ATOM 369 CA LEU A 24 -37.711 -2.558 -9.085 1.00 0.00 C ATOM 370 C LEU A 24 -37.103 -1.836 -10.278 1.00 0.00 C ATOM 371 O LEU A 24 -37.689 -0.902 -10.814 1.00 0.00 O ATOM 372 CB LEU A 24 -37.268 -1.882 -7.791 1.00 0.00 C ATOM 373 CG LEU A 24 -38.262 -2.222 -6.680 1.00 0.00 C ATOM 374 CD1 LEU A 24 -37.685 -1.797 -5.327 1.00 0.00 C ATOM 375 CD2 LEU A 24 -39.579 -1.479 -6.933 1.00 0.00 C ATOM 0 H LEU A 24 -37.025 -4.323 -8.183 1.00 0.00 H new ATOM 0 HA LEU A 24 -38.798 -2.508 -9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -36.268 -2.217 -7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -37.215 -0.802 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 24 -38.445 -3.296 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -38.395 -2.040 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -36.748 -2.325 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -37.501 -0.723 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -40.290 -1.719 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -39.395 -0.405 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -39.990 -1.784 -7.895 1.00 0.00 H new ATOM 387 N ARG A 25 -35.929 -2.288 -10.700 1.00 0.00 N ATOM 388 CA ARG A 25 -35.258 -1.687 -11.844 1.00 0.00 C ATOM 389 C ARG A 25 -35.783 -2.297 -13.136 1.00 0.00 C ATOM 390 O ARG A 25 -35.613 -1.739 -14.214 1.00 0.00 O ATOM 391 CB ARG A 25 -33.745 -1.905 -11.747 1.00 0.00 C ATOM 392 CG ARG A 25 -33.109 -1.714 -13.128 1.00 0.00 C ATOM 393 CD ARG A 25 -33.190 -3.020 -13.926 1.00 0.00 C ATOM 394 NE ARG A 25 -31.852 -3.564 -14.133 1.00 0.00 N ATOM 395 CZ ARG A 25 -31.664 -4.703 -14.791 1.00 0.00 C ATOM 396 NH1 ARG A 25 -32.684 -5.364 -15.267 1.00 0.00 N ATOM 397 NH2 ARG A 25 -30.454 -5.162 -14.962 1.00 0.00 N ATOM 0 H ARG A 25 -35.425 -3.064 -10.270 1.00 0.00 H new ATOM 0 HA ARG A 25 -35.462 -0.616 -11.844 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -33.311 -1.203 -11.035 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -33.535 -2.907 -11.374 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -33.621 -0.917 -13.666 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -32.068 -1.408 -13.019 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -33.807 -3.743 -13.393 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -33.670 -2.839 -14.888 1.00 0.00 H new ATOM 0 HE ARG A 25 -31.045 -3.060 -13.765 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -33.630 -5.007 -15.135 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -32.535 -6.238 -15.771 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -29.656 -4.647 -14.591 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -30.307 -6.036 -15.467 1.00 0.00 H new ATOM 411 N GLU A 26 -36.402 -3.462 -13.013 1.00 0.00 N ATOM 412 CA GLU A 26 -36.938 -4.164 -14.176 1.00 0.00 C ATOM 413 C GLU A 26 -38.369 -3.728 -14.523 1.00 0.00 C ATOM 414 O GLU A 26 -38.649 -3.354 -15.663 1.00 0.00 O ATOM 415 CB GLU A 26 -36.914 -5.672 -13.920 1.00 0.00 C ATOM 416 CG GLU A 26 -36.776 -6.414 -15.252 1.00 0.00 C ATOM 417 CD GLU A 26 -37.713 -7.617 -15.276 1.00 0.00 C ATOM 418 OE1 GLU A 26 -37.600 -8.448 -14.389 1.00 0.00 O ATOM 419 OE2 GLU A 26 -38.529 -7.690 -16.180 1.00 0.00 O ATOM 0 H GLU A 26 -36.547 -3.942 -12.125 1.00 0.00 H new ATOM 0 HA GLU A 26 -36.305 -3.909 -15.026 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -36.083 -5.927 -13.262 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -37.828 -5.980 -13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -37.011 -5.743 -16.078 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -35.746 -6.742 -15.391 1.00 0.00 H new ATOM 426 N ILE A 27 -39.283 -3.816 -13.552 1.00 0.00 N ATOM 427 CA ILE A 27 -40.692 -3.467 -13.796 1.00 0.00 C ATOM 428 C ILE A 27 -40.870 -2.001 -14.188 1.00 0.00 C ATOM 429 O ILE A 27 -41.409 -1.697 -15.253 1.00 0.00 O ATOM 430 CB ILE A 27 -41.552 -3.728 -12.545 1.00 0.00 C ATOM 431 CG1 ILE A 27 -40.866 -4.710 -11.599 1.00 0.00 C ATOM 432 CG2 ILE A 27 -42.907 -4.302 -12.934 1.00 0.00 C ATOM 433 CD1 ILE A 27 -40.210 -3.911 -10.490 1.00 0.00 C ATOM 0 H ILE A 27 -39.080 -4.121 -12.600 1.00 0.00 H new ATOM 0 HA ILE A 27 -41.015 -4.100 -14.622 1.00 0.00 H new ATOM 0 HB ILE A 27 -41.684 -2.771 -12.041 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -41.591 -5.411 -11.186 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -40.122 -5.300 -12.135 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -43.499 -4.479 -12.036 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -43.430 -3.596 -13.579 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -42.765 -5.243 -13.466 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -39.711 -4.590 -9.798 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -39.477 -3.227 -10.919 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -40.969 -3.341 -9.955 1.00 0.00 H new ATOM 445 N THR A 28 -40.454 -1.096 -13.309 1.00 0.00 N ATOM 446 CA THR A 28 -40.615 0.335 -13.566 1.00 0.00 C ATOM 447 C THR A 28 -39.418 0.908 -14.313 1.00 0.00 C ATOM 448 O THR A 28 -39.417 2.080 -14.691 1.00 0.00 O ATOM 449 CB THR A 28 -40.821 1.091 -12.250 1.00 0.00 C ATOM 450 OG1 THR A 28 -40.569 2.473 -12.459 1.00 0.00 O ATOM 451 CG2 THR A 28 -39.871 0.547 -11.175 1.00 0.00 C ATOM 0 H THR A 28 -40.007 -1.322 -12.420 1.00 0.00 H new ATOM 0 HA THR A 28 -41.496 0.460 -14.196 1.00 0.00 H new ATOM 0 HB THR A 28 -41.848 0.953 -11.913 1.00 0.00 H new ATOM 0 HG1 THR A 28 -40.466 2.645 -13.418 1.00 0.00 H new ATOM 0 HG21 THR A 28 -40.026 1.091 -10.243 1.00 0.00 H new ATOM 0 HG22 THR A 28 -40.072 -0.512 -11.014 1.00 0.00 H new ATOM 0 HG23 THR A 28 -38.839 0.675 -11.503 1.00 0.00 H new ATOM 459 N GLY A 29 -38.412 0.079 -14.542 1.00 0.00 N ATOM 460 CA GLY A 29 -37.227 0.528 -15.270 1.00 0.00 C ATOM 461 C GLY A 29 -36.437 1.589 -14.497 1.00 0.00 C ATOM 462 O GLY A 29 -35.829 2.472 -15.103 1.00 0.00 O ATOM 0 H GLY A 29 -38.387 -0.895 -14.241 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -36.582 -0.327 -15.472 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -37.529 0.934 -16.235 1.00 0.00 H new ATOM 466 N ILE A 30 -36.437 1.507 -13.167 1.00 0.00 N ATOM 467 CA ILE A 30 -35.700 2.484 -12.360 1.00 0.00 C ATOM 468 C ILE A 30 -34.441 1.859 -11.761 1.00 0.00 C ATOM 469 O ILE A 30 -34.514 1.045 -10.843 1.00 0.00 O ATOM 470 CB ILE A 30 -36.589 3.025 -11.241 1.00 0.00 C ATOM 471 CG1 ILE A 30 -37.875 3.584 -11.851 1.00 0.00 C ATOM 472 CG2 ILE A 30 -35.854 4.141 -10.498 1.00 0.00 C ATOM 473 CD1 ILE A 30 -37.527 4.613 -12.928 1.00 0.00 C ATOM 0 H ILE A 30 -36.928 0.790 -12.632 1.00 0.00 H new ATOM 0 HA ILE A 30 -35.404 3.305 -13.013 1.00 0.00 H new ATOM 0 HB ILE A 30 -36.829 2.223 -10.543 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -38.466 2.776 -12.283 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -38.486 4.046 -11.076 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -36.489 4.526 -9.700 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -34.932 3.747 -10.070 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.617 4.946 -11.193 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -38.445 5.010 -13.362 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -36.954 5.426 -12.483 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -36.934 4.136 -13.708 1.00 0.00 H new ATOM 485 N ASN A 31 -33.286 2.245 -12.295 1.00 0.00 N ATOM 486 CA ASN A 31 -32.015 1.710 -11.816 1.00 0.00 C ATOM 487 C ASN A 31 -31.560 2.401 -10.531 1.00 0.00 C ATOM 488 O ASN A 31 -30.734 1.861 -9.794 1.00 0.00 O ATOM 489 CB ASN A 31 -30.939 1.882 -12.891 1.00 0.00 C ATOM 490 CG ASN A 31 -31.562 1.759 -14.277 1.00 0.00 C ATOM 491 OD1 ASN A 31 -32.486 2.499 -14.612 1.00 0.00 O ATOM 492 ND2 ASN A 31 -31.107 0.863 -15.110 1.00 0.00 N ATOM 0 H ASN A 31 -33.203 2.921 -13.054 1.00 0.00 H new ATOM 0 HA ASN A 31 -32.163 0.652 -11.600 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -30.459 2.855 -12.784 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -30.163 1.128 -12.764 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -31.518 0.776 -16.040 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -30.341 0.250 -14.831 1.00 0.00 H new ATOM 499 N ASP A 32 -32.089 3.592 -10.261 1.00 0.00 N ATOM 500 CA ASP A 32 -31.702 4.320 -9.054 1.00 0.00 C ATOM 501 C ASP A 32 -31.675 3.376 -7.854 1.00 0.00 C ATOM 502 O ASP A 32 -32.650 3.270 -7.113 1.00 0.00 O ATOM 503 CB ASP A 32 -32.688 5.460 -8.790 1.00 0.00 C ATOM 504 CG ASP A 32 -32.733 6.400 -9.989 1.00 0.00 C ATOM 505 OD1 ASP A 32 -31.819 6.346 -10.795 1.00 0.00 O ATOM 506 OD2 ASP A 32 -33.681 7.163 -10.084 1.00 0.00 O ATOM 0 H ASP A 32 -32.774 4.067 -10.849 1.00 0.00 H new ATOM 0 HA ASP A 32 -30.705 4.735 -9.202 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -33.682 5.055 -8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -32.390 6.010 -7.897 1.00 0.00 H new ATOM 511 N THR A 33 -30.549 2.691 -7.680 1.00 0.00 N ATOM 512 CA THR A 33 -30.390 1.740 -6.580 1.00 0.00 C ATOM 513 C THR A 33 -30.746 2.364 -5.233 1.00 0.00 C ATOM 514 O THR A 33 -31.097 1.656 -4.289 1.00 0.00 O ATOM 515 CB THR A 33 -28.943 1.240 -6.540 1.00 0.00 C ATOM 516 OG1 THR A 33 -28.791 0.320 -5.467 1.00 0.00 O ATOM 517 CG2 THR A 33 -27.998 2.426 -6.338 1.00 0.00 C ATOM 0 H THR A 33 -29.732 2.775 -8.285 1.00 0.00 H new ATOM 0 HA THR A 33 -31.074 0.910 -6.757 1.00 0.00 H new ATOM 0 HB THR A 33 -28.702 0.744 -7.480 1.00 0.00 H new ATOM 0 HG1 THR A 33 -27.866 -0.002 -5.441 1.00 0.00 H new ATOM 0 HG21 THR A 33 -26.968 2.070 -6.310 1.00 0.00 H new ATOM 0 HG22 THR A 33 -28.116 3.130 -7.162 1.00 0.00 H new ATOM 0 HG23 THR A 33 -28.236 2.925 -5.398 1.00 0.00 H new ATOM 525 N GLN A 34 -30.646 3.684 -5.143 1.00 0.00 N ATOM 526 CA GLN A 34 -30.951 4.374 -3.894 1.00 0.00 C ATOM 527 C GLN A 34 -32.460 4.431 -3.648 1.00 0.00 C ATOM 528 O GLN A 34 -32.922 4.253 -2.518 1.00 0.00 O ATOM 529 CB GLN A 34 -30.347 5.785 -3.923 1.00 0.00 C ATOM 530 CG GLN A 34 -31.448 6.829 -4.093 1.00 0.00 C ATOM 531 CD GLN A 34 -30.831 8.207 -4.303 1.00 0.00 C ATOM 532 OE1 GLN A 34 -29.813 8.333 -4.983 1.00 0.00 O ATOM 533 NE2 GLN A 34 -31.389 9.253 -3.758 1.00 0.00 N ATOM 0 H GLN A 34 -30.360 4.293 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 34 -30.508 3.816 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -29.798 5.972 -3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -29.631 5.865 -4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -32.078 6.570 -4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -32.090 6.839 -3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -32.233 9.146 -3.195 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -30.982 10.178 -3.895 1.00 0.00 H new ATOM 542 N ILE A 35 -33.225 4.682 -4.705 1.00 0.00 N ATOM 543 CA ILE A 35 -34.674 4.764 -4.577 1.00 0.00 C ATOM 544 C ILE A 35 -35.291 3.377 -4.426 1.00 0.00 C ATOM 545 O ILE A 35 -36.338 3.224 -3.796 1.00 0.00 O ATOM 546 CB ILE A 35 -35.268 5.464 -5.800 1.00 0.00 C ATOM 547 CG1 ILE A 35 -35.072 6.977 -5.664 1.00 0.00 C ATOM 548 CG2 ILE A 35 -36.764 5.153 -5.888 1.00 0.00 C ATOM 549 CD1 ILE A 35 -34.963 7.609 -7.052 1.00 0.00 C ATOM 0 H ILE A 35 -32.870 4.831 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 35 -34.903 5.341 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 35 -34.768 5.110 -6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -35.909 7.414 -5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -34.171 7.186 -5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -37.189 5.651 -6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -36.907 4.076 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -37.263 5.509 -4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -34.824 8.685 -6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -34.112 7.181 -7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -35.876 7.412 -7.614 1.00 0.00 H new ATOM 561 N LEU A 36 -34.645 2.369 -5.004 1.00 0.00 N ATOM 562 CA LEU A 36 -35.159 1.005 -4.915 1.00 0.00 C ATOM 563 C LEU A 36 -35.015 0.471 -3.494 1.00 0.00 C ATOM 564 O LEU A 36 -35.943 -0.131 -2.952 1.00 0.00 O ATOM 565 CB LEU A 36 -34.411 0.078 -5.883 1.00 0.00 C ATOM 566 CG LEU A 36 -34.354 0.678 -7.297 1.00 0.00 C ATOM 567 CD1 LEU A 36 -34.281 -0.454 -8.324 1.00 0.00 C ATOM 568 CD2 LEU A 36 -35.599 1.527 -7.577 1.00 0.00 C ATOM 0 H LEU A 36 -33.778 2.467 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 36 -36.214 1.028 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -33.399 -0.093 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -34.906 -0.892 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 36 -33.471 1.313 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -34.240 -0.032 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -33.387 -1.051 -8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -35.164 -1.087 -8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -35.538 1.942 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -36.490 0.904 -7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -35.656 2.339 -6.852 1.00 0.00 H new ATOM 580 N GLN A 37 -33.853 0.696 -2.893 1.00 0.00 N ATOM 581 CA GLN A 37 -33.611 0.230 -1.533 1.00 0.00 C ATOM 582 C GLN A 37 -34.552 0.933 -0.562 1.00 0.00 C ATOM 583 O GLN A 37 -34.918 0.381 0.475 1.00 0.00 O ATOM 584 CB GLN A 37 -32.156 0.497 -1.135 1.00 0.00 C ATOM 585 CG GLN A 37 -31.888 2.003 -1.138 1.00 0.00 C ATOM 586 CD GLN A 37 -30.578 2.301 -0.416 1.00 0.00 C ATOM 587 OE1 GLN A 37 -29.864 3.234 -0.785 1.00 0.00 O ATOM 588 NE2 GLN A 37 -30.220 1.562 0.598 1.00 0.00 N ATOM 0 H GLN A 37 -33.071 1.193 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 37 -33.798 -0.843 -1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -31.958 0.085 -0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -31.481 -0.003 -1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -31.839 2.370 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -32.709 2.528 -0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -30.814 0.790 0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -29.347 1.756 1.088 1.00 0.00 H new ATOM 597 N GLN A 38 -34.946 2.153 -0.913 1.00 0.00 N ATOM 598 CA GLN A 38 -35.855 2.924 -0.070 1.00 0.00 C ATOM 599 C GLN A 38 -37.293 2.459 -0.275 1.00 0.00 C ATOM 600 O GLN A 38 -38.075 2.387 0.673 1.00 0.00 O ATOM 601 CB GLN A 38 -35.744 4.413 -0.408 1.00 0.00 C ATOM 602 CG GLN A 38 -36.820 5.193 0.352 1.00 0.00 C ATOM 603 CD GLN A 38 -36.535 6.689 0.270 1.00 0.00 C ATOM 604 OE1 GLN A 38 -35.441 7.093 -0.126 1.00 0.00 O ATOM 605 NE2 GLN A 38 -37.458 7.540 0.626 1.00 0.00 N ATOM 0 H GLN A 38 -34.654 2.627 -1.768 1.00 0.00 H new ATOM 0 HA GLN A 38 -35.578 2.768 0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -34.755 4.784 -0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -35.862 4.563 -1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -37.802 4.978 -0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -36.843 4.875 1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -38.363 7.203 0.954 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -37.274 8.542 0.577 1.00 0.00 H new ATOM 614 N ALA A 39 -37.633 2.142 -1.522 1.00 0.00 N ATOM 615 CA ALA A 39 -38.978 1.682 -1.848 1.00 0.00 C ATOM 616 C ALA A 39 -39.251 0.326 -1.201 1.00 0.00 C ATOM 617 O ALA A 39 -40.394 -0.001 -0.879 1.00 0.00 O ATOM 618 CB ALA A 39 -39.137 1.579 -3.367 1.00 0.00 C ATOM 0 H ALA A 39 -36.998 2.195 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 39 -39.698 2.402 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -40.144 1.235 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -38.972 2.558 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -38.409 0.871 -3.762 1.00 0.00 H new ATOM 624 N LEU A 40 -38.194 -0.456 -1.010 1.00 0.00 N ATOM 625 CA LEU A 40 -38.327 -1.772 -0.397 1.00 0.00 C ATOM 626 C LEU A 40 -38.499 -1.633 1.113 1.00 0.00 C ATOM 627 O LEU A 40 -39.296 -2.341 1.727 1.00 0.00 O ATOM 628 CB LEU A 40 -37.080 -2.613 -0.730 1.00 0.00 C ATOM 629 CG LEU A 40 -36.894 -3.788 0.250 1.00 0.00 C ATOM 630 CD1 LEU A 40 -36.438 -3.269 1.617 1.00 0.00 C ATOM 631 CD2 LEU A 40 -38.200 -4.579 0.406 1.00 0.00 C ATOM 0 H LEU A 40 -37.240 -0.203 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 40 -39.210 -2.274 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -37.164 -2.999 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -36.196 -1.976 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 40 -36.131 -4.452 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -36.310 -4.108 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -35.490 -2.742 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -37.189 -2.587 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -38.045 -5.403 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -38.980 -3.921 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -38.504 -4.975 -0.563 1.00 0.00 H new ATOM 643 N LYS A 41 -37.750 -0.712 1.706 1.00 0.00 N ATOM 644 CA LYS A 41 -37.826 -0.490 3.144 1.00 0.00 C ATOM 645 C LYS A 41 -39.250 -0.139 3.566 1.00 0.00 C ATOM 646 O LYS A 41 -39.698 -0.524 4.646 1.00 0.00 O ATOM 647 CB LYS A 41 -36.875 0.637 3.544 1.00 0.00 C ATOM 648 CG LYS A 41 -36.335 0.378 4.951 1.00 0.00 C ATOM 649 CD LYS A 41 -35.102 -0.526 4.867 1.00 0.00 C ATOM 650 CE LYS A 41 -33.838 0.334 4.847 1.00 0.00 C ATOM 651 NZ LYS A 41 -33.786 1.170 6.079 1.00 0.00 N ATOM 0 H LYS A 41 -37.087 -0.110 1.217 1.00 0.00 H new ATOM 0 HA LYS A 41 -37.534 -1.410 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -36.051 0.700 2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -37.396 1.594 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -36.075 1.321 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -37.103 -0.092 5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -35.078 -1.206 5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -35.150 -1.141 3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -32.954 -0.301 4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -33.832 0.971 3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -32.795 1.375 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -34.295 2.062 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -34.232 0.657 6.866 1.00 0.00 H new ATOM 665 N ASP A 42 -39.955 0.596 2.715 1.00 0.00 N ATOM 666 CA ASP A 42 -41.324 0.993 3.024 1.00 0.00 C ATOM 667 C ASP A 42 -42.317 -0.089 2.603 1.00 0.00 C ATOM 668 O ASP A 42 -43.220 -0.441 3.363 1.00 0.00 O ATOM 669 CB ASP A 42 -41.666 2.304 2.313 1.00 0.00 C ATOM 670 CG ASP A 42 -41.591 3.468 3.297 1.00 0.00 C ATOM 671 OD1 ASP A 42 -42.233 3.386 4.331 1.00 0.00 O ATOM 672 OD2 ASP A 42 -40.893 4.424 3.001 1.00 0.00 O ATOM 0 H ASP A 42 -39.607 0.927 1.815 1.00 0.00 H new ATOM 0 HA ASP A 42 -41.398 1.133 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -40.974 2.470 1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -42.666 2.244 1.884 1.00 0.00 H new ATOM 677 N SER A 43 -42.150 -0.609 1.390 1.00 0.00 N ATOM 678 CA SER A 43 -43.048 -1.643 0.882 1.00 0.00 C ATOM 679 C SER A 43 -42.905 -2.936 1.685 1.00 0.00 C ATOM 680 O SER A 43 -43.313 -4.007 1.238 1.00 0.00 O ATOM 681 CB SER A 43 -42.749 -1.909 -0.592 1.00 0.00 C ATOM 682 OG SER A 43 -43.362 -0.900 -1.385 1.00 0.00 O ATOM 0 H SER A 43 -41.409 -0.335 0.745 1.00 0.00 H new ATOM 0 HA SER A 43 -44.074 -1.289 0.986 1.00 0.00 H new ATOM 0 HB2 SER A 43 -41.672 -1.916 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 43 -43.124 -2.891 -0.879 1.00 0.00 H new ATOM 0 HG SER A 43 -42.878 -0.055 -1.271 1.00 0.00 H new ATOM 688 N ASN A 44 -42.335 -2.818 2.878 1.00 0.00 N ATOM 689 CA ASN A 44 -42.149 -3.970 3.760 1.00 0.00 C ATOM 690 C ASN A 44 -41.921 -5.265 2.976 1.00 0.00 C ATOM 691 O ASN A 44 -42.233 -6.350 3.465 1.00 0.00 O ATOM 692 CB ASN A 44 -43.374 -4.132 4.662 1.00 0.00 C ATOM 693 CG ASN A 44 -44.504 -4.809 3.893 1.00 0.00 C ATOM 694 OD1 ASN A 44 -45.081 -4.177 2.909 1.00 0.00 O flip ATOM 695 ND2 ASN A 44 -44.871 -5.943 4.200 1.00 0.00 N flip ATOM 0 H ASN A 44 -41.992 -1.936 3.260 1.00 0.00 H new ATOM 0 HA ASN A 44 -41.259 -3.782 4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -43.114 -4.725 5.539 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -43.702 -3.157 5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -44.418 -6.435 4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -45.628 -6.391 3.684 1.00 0.00 H new ATOM 702 N GLY A 45 -41.361 -5.155 1.775 1.00 0.00 N ATOM 703 CA GLY A 45 -41.087 -6.343 0.966 1.00 0.00 C ATOM 704 C GLY A 45 -42.182 -6.595 -0.066 1.00 0.00 C ATOM 705 O GLY A 45 -42.398 -7.730 -0.489 1.00 0.00 O ATOM 0 H GLY A 45 -41.091 -4.271 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -40.130 -6.223 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -40.995 -7.212 1.617 1.00 0.00 H new ATOM 709 N ASN A 46 -42.866 -5.534 -0.473 1.00 0.00 N ATOM 710 CA ASN A 46 -43.927 -5.656 -1.465 1.00 0.00 C ATOM 711 C ASN A 46 -43.468 -5.039 -2.795 1.00 0.00 C ATOM 712 O ASN A 46 -42.931 -3.932 -2.820 1.00 0.00 O ATOM 713 CB ASN A 46 -45.198 -4.989 -0.942 1.00 0.00 C ATOM 714 CG ASN A 46 -45.898 -5.917 0.046 1.00 0.00 C ATOM 715 OD1 ASN A 46 -45.479 -5.978 1.281 1.00 0.00 O flip ATOM 716 ND2 ASN A 46 -46.851 -6.605 -0.319 1.00 0.00 N flip ATOM 0 H ASN A 46 -42.707 -4.585 -0.135 1.00 0.00 H new ATOM 0 HA ASN A 46 -44.149 -6.708 -1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -44.951 -4.045 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -45.865 -4.756 -1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -47.176 -6.555 -1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -47.316 -7.225 0.344 1.00 0.00 H new ATOM 723 N LEU A 47 -43.649 -5.781 -3.890 1.00 0.00 N ATOM 724 CA LEU A 47 -43.206 -5.320 -5.215 1.00 0.00 C ATOM 725 C LEU A 47 -44.174 -4.304 -5.812 1.00 0.00 C ATOM 726 O LEU A 47 -43.809 -3.152 -6.032 1.00 0.00 O ATOM 727 CB LEU A 47 -43.081 -6.523 -6.161 1.00 0.00 C ATOM 728 CG LEU A 47 -41.942 -6.305 -7.171 1.00 0.00 C ATOM 729 CD1 LEU A 47 -42.185 -5.026 -7.974 1.00 0.00 C ATOM 730 CD2 LEU A 47 -40.602 -6.193 -6.435 1.00 0.00 C ATOM 0 H LEU A 47 -44.096 -6.698 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 47 -42.239 -4.833 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -42.893 -7.428 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -44.021 -6.673 -6.692 1.00 0.00 H new ATOM 0 HG LEU A 47 -41.914 -7.157 -7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -41.372 -4.883 -8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -43.129 -5.109 -8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -42.228 -4.173 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -39.801 -6.039 -7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -40.635 -5.350 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -40.415 -7.111 -5.877 1.00 0.00 H new ATOM 742 N GLU A 48 -45.407 -4.725 -6.068 1.00 0.00 N ATOM 743 CA GLU A 48 -46.394 -3.813 -6.632 1.00 0.00 C ATOM 744 C GLU A 48 -46.402 -2.524 -5.830 1.00 0.00 C ATOM 745 O GLU A 48 -46.853 -1.481 -6.302 1.00 0.00 O ATOM 746 CB GLU A 48 -47.786 -4.444 -6.601 1.00 0.00 C ATOM 747 CG GLU A 48 -48.770 -3.526 -7.327 1.00 0.00 C ATOM 748 CD GLU A 48 -50.017 -4.306 -7.725 1.00 0.00 C ATOM 749 OE1 GLU A 48 -50.216 -5.382 -7.185 1.00 0.00 O ATOM 750 OE2 GLU A 48 -50.755 -3.819 -8.566 1.00 0.00 O ATOM 0 H GLU A 48 -45.743 -5.673 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 48 -46.130 -3.603 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -47.765 -5.424 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -48.106 -4.598 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -49.044 -2.691 -6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -48.298 -3.102 -8.214 1.00 0.00 H new ATOM 757 N LEU A 49 -45.901 -2.618 -4.608 1.00 0.00 N ATOM 758 CA LEU A 49 -45.842 -1.477 -3.717 1.00 0.00 C ATOM 759 C LEU A 49 -44.540 -0.726 -3.903 1.00 0.00 C ATOM 760 O LEU A 49 -44.543 0.476 -4.130 1.00 0.00 O ATOM 761 CB LEU A 49 -45.968 -1.953 -2.282 1.00 0.00 C ATOM 762 CG LEU A 49 -47.397 -2.444 -2.058 1.00 0.00 C ATOM 763 CD1 LEU A 49 -48.336 -1.240 -2.088 1.00 0.00 C ATOM 764 CD2 LEU A 49 -47.798 -3.420 -3.176 1.00 0.00 C ATOM 0 H LEU A 49 -45.528 -3.481 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 49 -46.664 -0.800 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -45.257 -2.755 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -45.733 -1.142 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 49 -47.461 -2.955 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -49.361 -1.574 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -48.056 -0.541 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -48.262 -0.745 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -48.818 -3.765 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -47.740 -2.913 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -47.121 -4.274 -3.174 1.00 0.00 H new ATOM 776 N ALA A 50 -43.423 -1.440 -3.822 1.00 0.00 N ATOM 777 CA ALA A 50 -42.133 -0.800 -4.012 1.00 0.00 C ATOM 778 C ALA A 50 -42.144 -0.059 -5.339 1.00 0.00 C ATOM 779 O ALA A 50 -41.764 1.106 -5.417 1.00 0.00 O ATOM 780 CB ALA A 50 -41.012 -1.840 -4.014 1.00 0.00 C ATOM 0 H ALA A 50 -43.386 -2.441 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 50 -41.954 -0.103 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -40.053 -1.341 -4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -41.006 -2.370 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -41.176 -2.551 -4.824 1.00 0.00 H new ATOM 786 N VAL A 51 -42.605 -0.748 -6.377 1.00 0.00 N ATOM 787 CA VAL A 51 -42.693 -0.161 -7.705 1.00 0.00 C ATOM 788 C VAL A 51 -43.662 1.009 -7.696 1.00 0.00 C ATOM 789 O VAL A 51 -43.343 2.104 -8.155 1.00 0.00 O ATOM 790 CB VAL A 51 -43.183 -1.215 -8.700 1.00 0.00 C ATOM 791 CG1 VAL A 51 -44.679 -1.466 -8.508 1.00 0.00 C ATOM 792 CG2 VAL A 51 -42.937 -0.718 -10.119 1.00 0.00 C ATOM 0 H VAL A 51 -42.924 -1.715 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 51 -41.706 0.194 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 51 -42.640 -2.145 -8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -45.016 -2.218 -9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -44.861 -1.821 -7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -45.228 -0.538 -8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -43.285 -1.466 -10.832 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -43.480 0.214 -10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -41.871 -0.546 -10.265 1.00 0.00 H new ATOM 802 N ALA A 52 -44.848 0.759 -7.162 1.00 0.00 N ATOM 803 CA ALA A 52 -45.871 1.779 -7.082 1.00 0.00 C ATOM 804 C ALA A 52 -45.365 2.948 -6.248 1.00 0.00 C ATOM 805 O ALA A 52 -45.761 4.093 -6.453 1.00 0.00 O ATOM 806 CB ALA A 52 -47.124 1.177 -6.456 1.00 0.00 C ATOM 0 H ALA A 52 -45.122 -0.145 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 52 -46.111 2.146 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -47.901 1.939 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -47.477 0.350 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -46.891 0.811 -5.456 1.00 0.00 H new ATOM 812 N PHE A 53 -44.472 2.647 -5.315 1.00 0.00 N ATOM 813 CA PHE A 53 -43.894 3.679 -4.465 1.00 0.00 C ATOM 814 C PHE A 53 -43.123 4.686 -5.315 1.00 0.00 C ATOM 815 O PHE A 53 -43.137 5.886 -5.040 1.00 0.00 O ATOM 816 CB PHE A 53 -42.955 3.045 -3.438 1.00 0.00 C ATOM 817 CG PHE A 53 -43.592 3.080 -2.070 1.00 0.00 C ATOM 818 CD1 PHE A 53 -44.811 2.429 -1.848 1.00 0.00 C ATOM 819 CD2 PHE A 53 -42.958 3.754 -1.021 1.00 0.00 C ATOM 820 CE1 PHE A 53 -45.398 2.455 -0.577 1.00 0.00 C ATOM 821 CE2 PHE A 53 -43.544 3.780 0.250 1.00 0.00 C ATOM 822 CZ PHE A 53 -44.763 3.129 0.472 1.00 0.00 C ATOM 0 H PHE A 53 -44.134 1.703 -5.128 1.00 0.00 H new ATOM 0 HA PHE A 53 -44.699 4.196 -3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -42.735 2.015 -3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -42.006 3.581 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -45.299 1.906 -2.657 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -42.016 4.254 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -46.340 1.955 -0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -43.056 4.302 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 53 -45.214 3.147 1.453 1.00 0.00 H new ATOM 832 N LEU A 54 -42.454 4.187 -6.354 1.00 0.00 N ATOM 833 CA LEU A 54 -41.684 5.050 -7.245 1.00 0.00 C ATOM 834 C LEU A 54 -42.615 5.895 -8.107 1.00 0.00 C ATOM 835 O LEU A 54 -42.551 7.123 -8.090 1.00 0.00 O ATOM 836 CB LEU A 54 -40.792 4.205 -8.156 1.00 0.00 C ATOM 837 CG LEU A 54 -39.562 3.720 -7.372 1.00 0.00 C ATOM 838 CD1 LEU A 54 -39.959 2.586 -6.426 1.00 0.00 C ATOM 839 CD2 LEU A 54 -38.505 3.199 -8.345 1.00 0.00 C ATOM 0 H LEU A 54 -42.430 3.197 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 54 -41.066 5.706 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -41.351 3.351 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -40.477 4.792 -9.019 1.00 0.00 H new ATOM 0 HG LEU A 54 -39.161 4.555 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -39.082 2.248 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -40.713 2.944 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -40.366 1.756 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -37.634 2.856 -7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -38.917 2.370 -8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -38.209 3.999 -9.023 1.00 0.00 H new ATOM 851 N THR A 55 -43.482 5.224 -8.859 1.00 0.00 N ATOM 852 CA THR A 55 -44.428 5.921 -9.725 1.00 0.00 C ATOM 853 C THR A 55 -45.635 6.375 -8.916 1.00 0.00 C ATOM 854 O THR A 55 -46.028 7.540 -8.962 1.00 0.00 O ATOM 855 CB THR A 55 -44.886 4.997 -10.856 1.00 0.00 C ATOM 856 OG1 THR A 55 -46.188 5.378 -11.278 1.00 0.00 O ATOM 857 CG2 THR A 55 -44.913 3.552 -10.359 1.00 0.00 C ATOM 0 H THR A 55 -43.550 4.207 -8.887 1.00 0.00 H new ATOM 0 HA THR A 55 -43.934 6.792 -10.154 1.00 0.00 H new ATOM 0 HB THR A 55 -44.193 5.077 -11.693 1.00 0.00 H new ATOM 0 HG1 THR A 55 -46.482 4.788 -12.003 1.00 0.00 H new ATOM 0 HG21 THR A 55 -45.239 2.896 -11.166 1.00 0.00 H new ATOM 0 HG22 THR A 55 -43.914 3.260 -10.035 1.00 0.00 H new ATOM 0 HG23 THR A 55 -45.605 3.468 -9.521 1.00 0.00 H new ATOM 1533 N ASP A 101 37.852 -6.882 -4.154 1.00 0.00 N ATOM 1534 CA ASP A 101 38.279 -6.106 -2.995 1.00 0.00 C ATOM 1535 C ASP A 101 39.707 -6.465 -2.600 1.00 0.00 C ATOM 1536 O ASP A 101 40.524 -5.587 -2.321 1.00 0.00 O ATOM 1537 CB ASP A 101 37.343 -6.373 -1.814 1.00 0.00 C ATOM 1538 CG ASP A 101 37.069 -5.074 -1.063 1.00 0.00 C ATOM 1539 OD1 ASP A 101 38.024 -4.383 -0.747 1.00 0.00 O ATOM 1540 OD2 ASP A 101 35.910 -4.790 -0.814 1.00 0.00 O ATOM 0 HA ASP A 101 38.243 -5.049 -3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 101 36.406 -6.801 -2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.792 -7.104 -1.141 1.00 0.00 H new ATOM 1545 N LEU A 102 40.003 -7.759 -2.575 1.00 0.00 N ATOM 1546 CA LEU A 102 41.337 -8.216 -2.207 1.00 0.00 C ATOM 1547 C LEU A 102 42.352 -7.793 -3.245 1.00 0.00 C ATOM 1548 O LEU A 102 43.365 -7.173 -2.925 1.00 0.00 O ATOM 1549 CB LEU A 102 41.348 -9.735 -2.051 1.00 0.00 C ATOM 1550 CG LEU A 102 40.161 -10.159 -1.190 1.00 0.00 C ATOM 1551 CD1 LEU A 102 40.410 -11.560 -0.635 1.00 0.00 C ATOM 1552 CD2 LEU A 102 39.992 -9.171 -0.033 1.00 0.00 C ATOM 0 H LEU A 102 39.344 -8.504 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 102 41.607 -7.759 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 102 41.293 -10.214 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 102 42.281 -10.059 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 102 39.255 -10.165 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 102 39.563 -11.864 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 102 40.530 -12.262 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 102 41.316 -11.555 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 102 39.145 -9.473 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 102 40.897 -9.164 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 102 39.814 -8.172 -0.431 1.00 0.00 H new ATOM 1564 N GLN A 103 42.062 -8.104 -4.487 1.00 0.00 N ATOM 1565 CA GLN A 103 42.953 -7.722 -5.564 1.00 0.00 C ATOM 1566 C GLN A 103 43.391 -6.290 -5.328 1.00 0.00 C ATOM 1567 O GLN A 103 44.397 -5.824 -5.866 1.00 0.00 O ATOM 1568 CB GLN A 103 42.221 -7.813 -6.899 1.00 0.00 C ATOM 1569 CG GLN A 103 43.175 -8.325 -7.979 1.00 0.00 C ATOM 1570 CD GLN A 103 43.388 -9.829 -7.825 1.00 0.00 C ATOM 1571 OE1 GLN A 103 42.616 -10.513 -7.024 1.00 0.00 O flip ATOM 1572 NE2 GLN A 103 44.283 -10.395 -8.452 1.00 0.00 N flip ATOM 0 H GLN A 103 41.228 -8.614 -4.777 1.00 0.00 H new ATOM 0 HA GLN A 103 43.816 -8.387 -5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 103 41.365 -8.482 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 103 41.832 -6.834 -7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 103 42.768 -8.107 -8.967 1.00 0.00 H new ATOM 0 HG3 GLN A 103 44.131 -7.806 -7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 103 44.885 -9.859 -9.077 1.00 0.00 H new ATOM 0 HE22 GLN A 103 44.423 -11.400 -8.346 1.00 0.00 H new ATOM 1581 N ARG A 104 42.615 -5.605 -4.498 1.00 0.00 N ATOM 1582 CA ARG A 104 42.902 -4.216 -4.162 1.00 0.00 C ATOM 1583 C ARG A 104 43.868 -4.149 -2.987 1.00 0.00 C ATOM 1584 O ARG A 104 44.726 -3.269 -2.924 1.00 0.00 O ATOM 1585 CB ARG A 104 41.604 -3.481 -3.809 1.00 0.00 C ATOM 1586 CG ARG A 104 41.455 -2.242 -4.696 1.00 0.00 C ATOM 1587 CD ARG A 104 40.009 -1.747 -4.646 1.00 0.00 C ATOM 1588 NE ARG A 104 39.697 -1.221 -3.321 1.00 0.00 N ATOM 1589 CZ ARG A 104 38.618 -0.473 -3.118 1.00 0.00 C ATOM 1590 NH1 ARG A 104 37.817 -0.205 -4.114 1.00 0.00 N ATOM 1591 NH2 ARG A 104 38.358 -0.007 -1.927 1.00 0.00 N ATOM 0 H ARG A 104 41.784 -5.987 -4.046 1.00 0.00 H new ATOM 0 HA ARG A 104 43.360 -3.735 -5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 104 40.750 -4.144 -3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.614 -3.189 -2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 104 42.131 -1.457 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 104 41.733 -2.481 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 104 39.857 -0.972 -5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 104 39.330 -2.564 -4.889 1.00 0.00 H new ATOM 0 HE ARG A 104 40.317 -1.431 -2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 104 38.021 -0.570 -5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 104 36.988 0.369 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 104 38.984 -0.217 -1.149 1.00 0.00 H new ATOM 0 HH22 ARG A 104 37.529 0.567 -1.774 1.00 0.00 H new ATOM 1605 N ALA A 105 43.727 -5.089 -2.061 1.00 0.00 N ATOM 1606 CA ALA A 105 44.600 -5.131 -0.897 1.00 0.00 C ATOM 1607 C ALA A 105 46.023 -5.477 -1.321 1.00 0.00 C ATOM 1608 O ALA A 105 46.981 -4.816 -0.916 1.00 0.00 O ATOM 1609 CB ALA A 105 44.091 -6.172 0.103 1.00 0.00 C ATOM 0 H ALA A 105 43.023 -5.826 -2.093 1.00 0.00 H new ATOM 0 HA ALA A 105 44.599 -4.150 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.751 -6.196 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.082 -5.908 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 105 44.077 -7.154 -0.370 1.00 0.00 H new ATOM 1615 N ILE A 106 46.154 -6.515 -2.143 1.00 0.00 N ATOM 1616 CA ILE A 106 47.468 -6.936 -2.616 1.00 0.00 C ATOM 1617 C ILE A 106 48.070 -5.877 -3.522 1.00 0.00 C ATOM 1618 O ILE A 106 49.286 -5.683 -3.557 1.00 0.00 O ATOM 1619 CB ILE A 106 47.367 -8.269 -3.369 1.00 0.00 C ATOM 1620 CG1 ILE A 106 45.915 -8.753 -3.370 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.247 -9.313 -2.678 1.00 0.00 C ATOM 1622 CD1 ILE A 106 45.482 -9.084 -1.940 1.00 0.00 C ATOM 0 H ILE A 106 45.375 -7.074 -2.492 1.00 0.00 H new ATOM 0 HA ILE A 106 48.115 -7.069 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 106 47.703 -8.128 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 106 45.265 -7.984 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 106 45.815 -9.634 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.176 -10.260 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.283 -8.973 -2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 106 47.910 -9.450 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 106 44.448 -9.428 -1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 106 46.124 -9.868 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 106 45.565 -8.192 -1.319 1.00 0.00 H new ATOM 1634 N ALA A 107 47.206 -5.198 -4.245 1.00 0.00 N ATOM 1635 CA ALA A 107 47.636 -4.148 -5.154 1.00 0.00 C ATOM 1636 C ALA A 107 48.146 -2.942 -4.372 1.00 0.00 C ATOM 1637 O ALA A 107 49.255 -2.461 -4.605 1.00 0.00 O ATOM 1638 CB ALA A 107 46.474 -3.720 -6.051 1.00 0.00 C ATOM 0 H ALA A 107 46.198 -5.352 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 107 48.444 -4.539 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.807 -2.933 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 107 46.128 -4.575 -6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.657 -3.346 -5.434 1.00 0.00 H new ATOM 1644 N LEU A 108 47.326 -2.461 -3.442 1.00 0.00 N ATOM 1645 CA LEU A 108 47.697 -1.309 -2.628 1.00 0.00 C ATOM 1646 C LEU A 108 49.120 -1.459 -2.101 1.00 0.00 C ATOM 1647 O LEU A 108 49.955 -0.569 -2.276 1.00 0.00 O ATOM 1648 CB LEU A 108 46.726 -1.170 -1.453 1.00 0.00 C ATOM 1649 CG LEU A 108 47.190 -0.034 -0.540 1.00 0.00 C ATOM 1650 CD1 LEU A 108 47.177 1.282 -1.319 1.00 0.00 C ATOM 1651 CD2 LEU A 108 46.243 0.076 0.658 1.00 0.00 C ATOM 0 H LEU A 108 46.406 -2.849 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 108 47.647 -0.415 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 108 45.720 -0.968 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 108 46.679 -2.104 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 108 48.201 -0.240 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 108 47.507 2.093 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 108 47.849 1.205 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 108 46.166 1.487 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 108 46.573 0.885 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 108 45.233 0.283 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 108 46.248 -0.862 1.213 1.00 0.00 H new ATOM 1663 N SER A 109 49.393 -2.589 -1.457 1.00 0.00 N ATOM 1664 CA SER A 109 50.722 -2.836 -0.912 1.00 0.00 C ATOM 1665 C SER A 109 51.749 -2.910 -2.031 1.00 0.00 C ATOM 1666 O SER A 109 52.811 -2.293 -1.954 1.00 0.00 O ATOM 1667 CB SER A 109 50.735 -4.138 -0.112 1.00 0.00 C ATOM 1668 OG SER A 109 50.742 -3.833 1.276 1.00 0.00 O ATOM 0 H SER A 109 48.720 -3.340 -1.301 1.00 0.00 H new ATOM 0 HA SER A 109 50.980 -2.010 -0.249 1.00 0.00 H new ATOM 0 HB2 SER A 109 49.861 -4.740 -0.360 1.00 0.00 H new ATOM 0 HB3 SER A 109 51.613 -4.729 -0.371 1.00 0.00 H new ATOM 0 HG SER A 109 50.749 -4.665 1.794 1.00 0.00 H new ATOM 1674 N LEU A 110 51.423 -3.658 -3.074 1.00 0.00 N ATOM 1675 CA LEU A 110 52.324 -3.790 -4.207 1.00 0.00 C ATOM 1676 C LEU A 110 52.812 -2.413 -4.634 1.00 0.00 C ATOM 1677 O LEU A 110 53.806 -2.285 -5.348 1.00 0.00 O ATOM 1678 CB LEU A 110 51.597 -4.462 -5.373 1.00 0.00 C ATOM 1679 CG LEU A 110 52.337 -5.741 -5.769 1.00 0.00 C ATOM 1680 CD1 LEU A 110 51.452 -6.581 -6.694 1.00 0.00 C ATOM 1681 CD2 LEU A 110 53.632 -5.376 -6.498 1.00 0.00 C ATOM 0 H LEU A 110 50.550 -4.178 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 110 53.177 -4.403 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 110 50.571 -4.696 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 110 51.545 -3.782 -6.223 1.00 0.00 H new ATOM 0 HG LEU A 110 52.572 -6.315 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 110 51.981 -7.492 -6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 110 50.529 -6.842 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 110 51.215 -6.008 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 110 54.160 -6.287 -6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 110 53.396 -4.801 -7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 110 54.264 -4.780 -5.840 1.00 0.00 H new ATOM 1693 N ALA A 111 52.096 -1.386 -4.189 1.00 0.00 N ATOM 1694 CA ALA A 111 52.455 -0.014 -4.529 1.00 0.00 C ATOM 1695 C ALA A 111 53.470 0.541 -3.537 1.00 0.00 C ATOM 1696 O ALA A 111 54.572 0.943 -3.917 1.00 0.00 O ATOM 1697 CB ALA A 111 51.207 0.867 -4.521 1.00 0.00 C ATOM 0 H ALA A 111 51.270 -1.476 -3.597 1.00 0.00 H new ATOM 0 HA ALA A 111 52.899 -0.014 -5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.482 1.890 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.492 0.491 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.755 0.849 -3.529 1.00 0.00 H new ATOM 1703 N GLU A 112 53.095 0.555 -2.260 1.00 0.00 N ATOM 1704 CA GLU A 112 53.987 1.065 -1.227 1.00 0.00 C ATOM 1705 C GLU A 112 55.385 0.493 -1.422 1.00 0.00 C ATOM 1706 O GLU A 112 56.376 1.066 -0.966 1.00 0.00 O ATOM 1707 CB GLU A 112 53.462 0.681 0.160 1.00 0.00 C ATOM 1708 CG GLU A 112 52.157 1.429 0.443 1.00 0.00 C ATOM 1709 CD GLU A 112 52.264 2.190 1.760 1.00 0.00 C ATOM 1710 OE1 GLU A 112 53.255 2.877 1.946 1.00 0.00 O ATOM 1711 OE2 GLU A 112 51.352 2.075 2.563 1.00 0.00 O ATOM 0 H GLU A 112 52.192 0.224 -1.921 1.00 0.00 H new ATOM 0 HA GLU A 112 54.028 2.152 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 112 53.294 -0.395 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 112 54.204 0.924 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 112 51.943 2.122 -0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 112 51.327 0.724 0.488 1.00 0.00 H new ATOM 1718 N SER A 113 55.454 -0.638 -2.113 1.00 0.00 N ATOM 1719 CA SER A 113 56.734 -1.280 -2.374 1.00 0.00 C ATOM 1720 C SER A 113 57.330 -0.770 -3.678 1.00 0.00 C ATOM 1721 O SER A 113 58.489 -0.358 -3.721 1.00 0.00 O ATOM 1722 CB SER A 113 56.559 -2.797 -2.446 1.00 0.00 C ATOM 1723 OG SER A 113 57.835 -3.419 -2.377 1.00 0.00 O ATOM 0 H SER A 113 54.646 -1.125 -2.499 1.00 0.00 H new ATOM 0 HA SER A 113 57.413 -1.036 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 113 55.929 -3.142 -1.626 1.00 0.00 H new ATOM 0 HB3 SER A 113 56.056 -3.073 -3.373 1.00 0.00 H new ATOM 0 HG SER A 113 57.727 -4.392 -2.421 1.00 0.00 H new ATOM 1902 N GLU A 125 82.001 -5.869 -9.664 1.00 0.00 N ATOM 1903 CA GLU A 125 82.967 -4.831 -9.328 1.00 0.00 C ATOM 1904 C GLU A 125 83.838 -5.267 -8.154 1.00 0.00 C ATOM 1905 O GLU A 125 84.943 -4.758 -7.966 1.00 0.00 O ATOM 1906 CB GLU A 125 82.234 -3.537 -8.970 1.00 0.00 C ATOM 1907 CG GLU A 125 83.011 -2.339 -9.516 1.00 0.00 C ATOM 1908 CD GLU A 125 82.211 -1.058 -9.304 1.00 0.00 C ATOM 1909 OE1 GLU A 125 81.383 -0.754 -10.147 1.00 0.00 O ATOM 1910 OE2 GLU A 125 82.438 -0.401 -8.301 1.00 0.00 O ATOM 0 HA GLU A 125 83.607 -4.661 -10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 125 81.227 -3.551 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 125 82.130 -3.453 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 125 83.976 -2.262 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 125 83.213 -2.480 -10.578 1.00 0.00 H new ATOM 1917 N GLU A 126 83.332 -6.210 -7.365 1.00 0.00 N ATOM 1918 CA GLU A 126 84.073 -6.705 -6.210 1.00 0.00 C ATOM 1919 C GLU A 126 85.332 -7.445 -6.652 1.00 0.00 C ATOM 1920 O GLU A 126 86.434 -7.143 -6.196 1.00 0.00 O ATOM 1921 CB GLU A 126 83.192 -7.647 -5.387 1.00 0.00 C ATOM 1922 CG GLU A 126 83.376 -7.347 -3.898 1.00 0.00 C ATOM 1923 CD GLU A 126 82.663 -8.404 -3.061 1.00 0.00 C ATOM 1924 OE1 GLU A 126 82.169 -9.356 -3.642 1.00 0.00 O ATOM 1925 OE2 GLU A 126 82.622 -8.246 -1.852 1.00 0.00 O ATOM 0 H GLU A 126 82.419 -6.644 -7.503 1.00 0.00 H new ATOM 0 HA GLU A 126 84.363 -5.850 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 126 82.146 -7.522 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 126 83.456 -8.684 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 126 84.437 -7.330 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 126 82.979 -6.359 -3.666 1.00 0.00 H new ATOM 1932 N GLN A 127 85.158 -8.419 -7.542 1.00 0.00 N ATOM 1933 CA GLN A 127 86.286 -9.199 -8.037 1.00 0.00 C ATOM 1934 C GLN A 127 87.231 -8.318 -8.849 1.00 0.00 C ATOM 1935 O GLN A 127 88.451 -8.453 -8.761 1.00 0.00 O ATOM 1936 CB GLN A 127 85.782 -10.350 -8.908 1.00 0.00 C ATOM 1937 CG GLN A 127 86.969 -11.193 -9.378 1.00 0.00 C ATOM 1938 CD GLN A 127 87.613 -11.895 -8.187 1.00 0.00 C ATOM 1939 OE1 GLN A 127 88.323 -11.266 -7.403 1.00 0.00 O ATOM 1940 NE2 GLN A 127 87.406 -13.170 -8.003 1.00 0.00 N ATOM 0 H GLN A 127 84.254 -8.685 -7.932 1.00 0.00 H new ATOM 0 HA GLN A 127 86.829 -9.602 -7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 127 85.084 -10.968 -8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 127 85.238 -9.958 -9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 127 86.636 -11.930 -10.109 1.00 0.00 H new ATOM 0 HG3 GLN A 127 87.702 -10.559 -9.877 1.00 0.00 H new ATOM 0 HE21 GLN A 127 86.817 -13.690 -8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 127 87.833 -13.647 -7.209 1.00 0.00 H new ATOM 1949 N ALA A 128 86.657 -7.415 -9.637 1.00 0.00 N ATOM 1950 CA ALA A 128 87.456 -6.514 -10.459 1.00 0.00 C ATOM 1951 C ALA A 128 88.313 -5.608 -9.580 1.00 0.00 C ATOM 1952 O ALA A 128 89.536 -5.735 -9.545 1.00 0.00 O ATOM 1953 CB ALA A 128 86.541 -5.657 -11.334 1.00 0.00 C ATOM 0 H ALA A 128 85.649 -7.288 -9.724 1.00 0.00 H new ATOM 0 HA ALA A 128 88.109 -7.113 -11.093 1.00 0.00 H new ATOM 0 HB1 ALA A 128 87.145 -4.987 -11.945 1.00 0.00 H new ATOM 0 HB2 ALA A 128 85.948 -6.303 -11.982 1.00 0.00 H new ATOM 0 HB3 ALA A 128 85.877 -5.070 -10.700 1.00 0.00 H new ATOM 1959 N ILE A 129 87.658 -4.691 -8.874 1.00 0.00 N ATOM 1960 CA ILE A 129 88.365 -3.766 -7.997 1.00 0.00 C ATOM 1961 C ILE A 129 89.526 -4.466 -7.299 1.00 0.00 C ATOM 1962 O ILE A 129 90.647 -3.958 -7.273 1.00 0.00 O ATOM 1963 CB ILE A 129 87.406 -3.204 -6.947 1.00 0.00 C ATOM 1964 CG1 ILE A 129 86.354 -2.328 -7.633 1.00 0.00 C ATOM 1965 CG2 ILE A 129 88.191 -2.363 -5.939 1.00 0.00 C ATOM 1966 CD1 ILE A 129 86.907 -0.913 -7.817 1.00 0.00 C ATOM 0 H ILE A 129 86.645 -4.570 -8.892 1.00 0.00 H new ATOM 0 HA ILE A 129 88.758 -2.952 -8.606 1.00 0.00 H new ATOM 0 HB ILE A 129 86.912 -4.026 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 129 86.086 -2.753 -8.600 1.00 0.00 H new ATOM 0 HG13 ILE A 129 85.444 -2.299 -7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 129 87.508 -1.962 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 129 88.940 -2.986 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 129 88.685 -1.541 -6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 129 86.158 -0.290 -8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 129 87.153 -0.489 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 129 87.805 -0.951 -8.433 1.00 0.00 H new ATOM 1978 N SER A 130 89.247 -5.635 -6.732 1.00 0.00 N ATOM 1979 CA SER A 130 90.275 -6.396 -6.032 1.00 0.00 C ATOM 1980 C SER A 130 91.499 -6.593 -6.921 1.00 0.00 C ATOM 1981 O SER A 130 92.599 -6.157 -6.584 1.00 0.00 O ATOM 1982 CB SER A 130 89.719 -7.757 -5.612 1.00 0.00 C ATOM 1983 OG SER A 130 89.865 -7.910 -4.206 1.00 0.00 O ATOM 0 H SER A 130 88.326 -6.073 -6.743 1.00 0.00 H new ATOM 0 HA SER A 130 90.575 -5.837 -5.146 1.00 0.00 H new ATOM 0 HB2 SER A 130 88.668 -7.835 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 130 90.247 -8.555 -6.133 1.00 0.00 H new ATOM 0 HG SER A 130 89.508 -8.781 -3.933 1.00 0.00 H new ATOM 1989 N ARG A 131 91.300 -7.257 -8.055 1.00 0.00 N ATOM 1990 CA ARG A 131 92.398 -7.509 -8.981 1.00 0.00 C ATOM 1991 C ARG A 131 93.023 -6.199 -9.449 1.00 0.00 C ATOM 1992 O ARG A 131 94.228 -5.989 -9.306 1.00 0.00 O ATOM 1993 CB ARG A 131 91.891 -8.289 -10.193 1.00 0.00 C ATOM 1994 CG ARG A 131 92.194 -9.774 -10.002 1.00 0.00 C ATOM 1995 CD ARG A 131 93.615 -10.069 -10.485 1.00 0.00 C ATOM 1996 NE ARG A 131 93.825 -11.511 -10.571 1.00 0.00 N ATOM 1997 CZ ARG A 131 94.369 -12.074 -11.647 1.00 0.00 C ATOM 1998 NH1 ARG A 131 94.739 -11.340 -12.663 1.00 0.00 N ATOM 1999 NH2 ARG A 131 94.535 -13.367 -11.686 1.00 0.00 N ATOM 0 H ARG A 131 90.397 -7.627 -8.353 1.00 0.00 H new ATOM 0 HA ARG A 131 93.155 -8.094 -8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 131 90.818 -8.138 -10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 131 92.369 -7.923 -11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 131 92.092 -10.045 -8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 131 91.476 -10.377 -10.558 1.00 0.00 H new ATOM 0 HD2 ARG A 131 93.779 -9.611 -11.460 1.00 0.00 H new ATOM 0 HD3 ARG A 131 94.339 -9.628 -9.800 1.00 0.00 H new ATOM 0 HE ARG A 131 93.548 -12.102 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 131 94.612 -10.328 -12.635 1.00 0.00 H new ATOM 0 HH12 ARG A 131 95.155 -11.779 -13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 131 94.248 -13.942 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 131 94.952 -13.803 -12.509 1.00 0.00 H new ATOM 2013 N VAL A 132 92.197 -5.322 -10.008 1.00 0.00 N ATOM 2014 CA VAL A 132 92.685 -4.038 -10.493 1.00 0.00 C ATOM 2015 C VAL A 132 93.561 -3.369 -9.439 1.00 0.00 C ATOM 2016 O VAL A 132 94.766 -3.204 -9.631 1.00 0.00 O ATOM 2017 CB VAL A 132 91.505 -3.124 -10.832 1.00 0.00 C ATOM 2018 CG1 VAL A 132 92.027 -1.739 -11.214 1.00 0.00 C ATOM 2019 CG2 VAL A 132 90.723 -3.717 -12.007 1.00 0.00 C ATOM 0 H VAL A 132 91.197 -5.475 -10.136 1.00 0.00 H new ATOM 0 HA VAL A 132 93.279 -4.211 -11.390 1.00 0.00 H new ATOM 0 HB VAL A 132 90.850 -3.039 -9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 132 91.187 -1.088 -11.456 1.00 0.00 H new ATOM 0 HG12 VAL A 132 92.585 -1.317 -10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 132 92.682 -1.823 -12.081 1.00 0.00 H new ATOM 0 HG21 VAL A 132 89.882 -3.067 -12.250 1.00 0.00 H new ATOM 0 HG22 VAL A 132 91.378 -3.802 -12.874 1.00 0.00 H new ATOM 0 HG23 VAL A 132 90.351 -4.705 -11.735 1.00 0.00 H new ATOM 2029 N LEU A 133 92.946 -2.991 -8.323 1.00 0.00 N ATOM 2030 CA LEU A 133 93.677 -2.345 -7.241 1.00 0.00 C ATOM 2031 C LEU A 133 95.091 -2.906 -7.138 1.00 0.00 C ATOM 2032 O LEU A 133 96.063 -2.154 -7.068 1.00 0.00 O ATOM 2033 CB LEU A 133 92.943 -2.560 -5.916 1.00 0.00 C ATOM 2034 CG LEU A 133 93.440 -1.543 -4.888 1.00 0.00 C ATOM 2035 CD1 LEU A 133 92.536 -1.581 -3.655 1.00 0.00 C ATOM 2036 CD2 LEU A 133 94.873 -1.892 -4.480 1.00 0.00 C ATOM 0 H LEU A 133 91.950 -3.120 -8.145 1.00 0.00 H new ATOM 0 HA LEU A 133 93.738 -1.278 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 133 91.868 -2.451 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 133 93.114 -3.573 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 133 93.418 -0.544 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 133 92.890 -0.856 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 133 91.515 -1.335 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 133 92.558 -2.579 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 133 95.229 -1.168 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 133 94.894 -2.891 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 133 95.518 -1.866 -5.358 1.00 0.00 H new ATOM 2048 N GLU A 134 95.197 -4.230 -7.129 1.00 0.00 N ATOM 2049 CA GLU A 134 96.500 -4.880 -7.034 1.00 0.00 C ATOM 2050 C GLU A 134 97.354 -4.548 -8.253 1.00 0.00 C ATOM 2051 O GLU A 134 98.554 -4.304 -8.134 1.00 0.00 O ATOM 2052 CB GLU A 134 96.322 -6.397 -6.932 1.00 0.00 C ATOM 2053 CG GLU A 134 97.453 -6.988 -6.085 1.00 0.00 C ATOM 2054 CD GLU A 134 97.542 -8.494 -6.313 1.00 0.00 C ATOM 2055 OE1 GLU A 134 96.606 -9.045 -6.868 1.00 0.00 O ATOM 2056 OE2 GLU A 134 98.545 -9.073 -5.930 1.00 0.00 O ATOM 0 H GLU A 134 94.405 -4.870 -7.186 1.00 0.00 H new ATOM 0 HA GLU A 134 97.003 -4.513 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 134 95.357 -6.631 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 134 96.328 -6.842 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 134 98.400 -6.515 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 134 97.275 -6.781 -5.030 1.00 0.00 H new ATOM 2063 N ALA A 135 96.726 -4.542 -9.424 1.00 0.00 N ATOM 2064 CA ALA A 135 97.439 -4.238 -10.660 1.00 0.00 C ATOM 2065 C ALA A 135 97.993 -2.818 -10.624 1.00 0.00 C ATOM 2066 O ALA A 135 99.031 -2.531 -11.223 1.00 0.00 O ATOM 2067 CB ALA A 135 96.497 -4.390 -11.856 1.00 0.00 C ATOM 0 H ALA A 135 95.733 -4.742 -9.544 1.00 0.00 H new ATOM 0 HA ALA A 135 98.269 -4.937 -10.760 1.00 0.00 H new ATOM 0 HB1 ALA A 135 97.036 -4.161 -12.775 1.00 0.00 H new ATOM 0 HB2 ALA A 135 96.125 -5.414 -11.898 1.00 0.00 H new ATOM 0 HB3 ALA A 135 95.658 -3.703 -11.748 1.00 0.00 H new ATOM 2073 N SER A 136 97.295 -1.930 -9.924 1.00 0.00 N ATOM 2074 CA SER A 136 97.730 -0.542 -9.822 1.00 0.00 C ATOM 2075 C SER A 136 98.824 -0.396 -8.769 1.00 0.00 C ATOM 2076 O SER A 136 99.529 0.613 -8.729 1.00 0.00 O ATOM 2077 CB SER A 136 96.544 0.350 -9.450 1.00 0.00 C ATOM 2078 OG SER A 136 95.746 0.579 -10.604 1.00 0.00 O ATOM 0 H SER A 136 96.433 -2.144 -9.423 1.00 0.00 H new ATOM 0 HA SER A 136 98.129 -0.236 -10.789 1.00 0.00 H new ATOM 0 HB2 SER A 136 95.948 -0.125 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 136 96.900 1.298 -9.046 1.00 0.00 H new ATOM 0 HG SER A 136 94.985 1.149 -10.367 1.00 0.00 H new