USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 657 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 73 LYS NZ :NH3+ 154:sc=-0.00995 (180deg=0) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -175:sc= -0.0311 (180deg=-0.0304) USER MOD Single : A 17 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.06) USER MOD Single : A 19 THR OG1 : rot 50:sc= -3.73! USER MOD Single : A 22 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.0035) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= -1.42! (180deg=-2.73!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.447 USER MOD Single : A 41 ASN : amide:sc=-0.00142 X(o=-0.0014,f=-0.47) USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= -0.0214 (180deg=-0.339) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-0.42) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.695 X(o=-0.69,f=-0.21) USER MOD Single : A 60 THR OG1 : rot 176:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.039) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0892 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 79 THR OG1 : rot -103:sc= -3.45! USER MOD Single : A 80 HIS : no HE2:sc= -1.01! C(o=-1!,f=-8.4!) USER MOD Single : A 81 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.0089) USER MOD Single : A 89 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.1!) USER MOD Single : A 95 GLN : amide:sc= -4.65! K(o=-4.7!,f=-2.1) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 4.429 -6.716 2.571 1.00 0.00 N ATOM 206 CA HIS A 17 5.214 -6.043 3.593 1.00 0.00 C ATOM 207 C HIS A 17 4.668 -4.631 3.813 1.00 0.00 C ATOM 208 O HIS A 17 4.543 -3.855 2.867 1.00 0.00 O ATOM 209 CB HIS A 17 6.701 -6.054 3.230 1.00 0.00 C ATOM 210 CG HIS A 17 7.583 -5.353 4.235 1.00 0.00 C ATOM 211 ND1 HIS A 17 8.232 -6.021 5.258 1.00 0.00 N ATOM 212 CD2 HIS A 17 7.917 -4.036 4.362 1.00 0.00 C ATOM 213 CE1 HIS A 17 8.922 -5.137 5.964 1.00 0.00 C ATOM 214 NE2 HIS A 17 8.725 -3.908 5.407 1.00 0.00 N ATOM 0 HA HIS A 17 5.126 -6.580 4.537 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.032 -7.088 3.129 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.830 -5.582 2.256 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.581 -3.234 3.721 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.533 -5.352 6.828 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.132 -3.034 5.739 1.00 0.00 H new ATOM 222 N VAL A 18 4.358 -4.341 5.068 1.00 0.00 N ATOM 223 CA VAL A 18 3.828 -3.036 5.425 1.00 0.00 C ATOM 224 C VAL A 18 4.984 -2.045 5.577 1.00 0.00 C ATOM 225 O VAL A 18 6.097 -2.434 5.928 1.00 0.00 O ATOM 226 CB VAL A 18 2.967 -3.147 6.685 1.00 0.00 C ATOM 227 CG1 VAL A 18 3.839 -3.207 7.941 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.964 -1.995 6.768 1.00 0.00 C ATOM 0 H VAL A 18 4.464 -4.987 5.850 1.00 0.00 H new ATOM 0 HA VAL A 18 3.178 -2.659 4.635 1.00 0.00 H new ATOM 0 HB VAL A 18 2.403 -4.078 6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.203 -3.286 8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.494 -4.076 7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.442 -2.302 8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.365 -2.099 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.501 -1.047 6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.311 -2.018 5.896 1.00 0.00 H new ATOM 238 N THR A 19 4.681 -0.784 5.305 1.00 0.00 N ATOM 239 CA THR A 19 5.680 0.265 5.407 1.00 0.00 C ATOM 240 C THR A 19 5.118 1.465 6.172 1.00 0.00 C ATOM 241 O THR A 19 4.258 2.182 5.664 1.00 0.00 O ATOM 242 CB THR A 19 6.148 0.612 3.992 1.00 0.00 C ATOM 243 OG1 THR A 19 7.312 -0.189 3.805 1.00 0.00 O ATOM 244 CG2 THR A 19 6.661 2.048 3.881 1.00 0.00 C ATOM 0 H THR A 19 3.757 -0.465 5.014 1.00 0.00 H new ATOM 0 HA THR A 19 6.546 -0.069 5.979 1.00 0.00 H new ATOM 0 HB THR A 19 5.326 0.466 3.292 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.113 -1.117 4.050 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.980 2.242 2.857 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.864 2.741 4.150 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.505 2.186 4.557 1.00 0.00 H new ATOM 252 N ILE A 20 5.627 1.645 7.382 1.00 0.00 N ATOM 253 CA ILE A 20 5.187 2.746 8.222 1.00 0.00 C ATOM 254 C ILE A 20 6.037 3.982 7.924 1.00 0.00 C ATOM 255 O ILE A 20 7.217 4.027 8.270 1.00 0.00 O ATOM 256 CB ILE A 20 5.198 2.333 9.696 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.366 1.069 9.917 1.00 0.00 C ATOM 258 CG2 ILE A 20 4.740 3.485 10.592 1.00 0.00 C ATOM 259 CD1 ILE A 20 2.870 1.372 9.813 1.00 0.00 C ATOM 0 H ILE A 20 6.340 1.047 7.801 1.00 0.00 H new ATOM 0 HA ILE A 20 4.153 3.008 7.995 1.00 0.00 H new ATOM 0 HB ILE A 20 6.224 2.096 9.977 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.640 0.315 9.179 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.588 0.650 10.898 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.757 3.165 11.634 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.410 4.335 10.463 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.726 3.777 10.319 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.301 0.456 9.974 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.594 2.108 10.568 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.647 1.768 8.822 1.00 0.00 H new ATOM 271 N LEU A 21 5.405 4.955 7.284 1.00 0.00 N ATOM 272 CA LEU A 21 6.089 6.189 6.935 1.00 0.00 C ATOM 273 C LEU A 21 5.865 7.222 8.041 1.00 0.00 C ATOM 274 O LEU A 21 4.725 7.545 8.372 1.00 0.00 O ATOM 275 CB LEU A 21 5.655 6.668 5.549 1.00 0.00 C ATOM 276 CG LEU A 21 6.725 6.616 4.456 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.572 5.348 4.578 1.00 0.00 C ATOM 278 CD2 LEU A 21 6.097 6.754 3.067 1.00 0.00 C ATOM 0 H LEU A 21 4.427 4.914 6.998 1.00 0.00 H new ATOM 0 HA LEU A 21 7.164 6.023 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.806 6.065 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.302 7.696 5.636 1.00 0.00 H new ATOM 0 HG LEU A 21 7.395 7.465 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.325 5.336 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.065 5.332 5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.931 4.472 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.879 6.714 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.391 5.939 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.573 7.707 2.998 1.00 0.00 H new ATOM 290 N HIS A 22 6.971 7.712 8.582 1.00 0.00 N ATOM 291 CA HIS A 22 6.909 8.702 9.644 1.00 0.00 C ATOM 292 C HIS A 22 7.175 10.093 9.065 1.00 0.00 C ATOM 293 O HIS A 22 8.313 10.428 8.742 1.00 0.00 O ATOM 294 CB HIS A 22 7.867 8.340 10.781 1.00 0.00 C ATOM 295 CG HIS A 22 7.919 6.864 11.094 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.270 6.305 12.181 1.00 0.00 N ATOM 297 CD2 HIS A 22 8.547 5.838 10.451 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.505 5.001 12.184 1.00 0.00 C ATOM 299 NE2 HIS A 22 8.297 4.713 11.111 1.00 0.00 N ATOM 0 H HIS A 22 7.915 7.442 8.305 1.00 0.00 H new ATOM 0 HA HIS A 22 5.909 8.712 10.078 1.00 0.00 H new ATOM 0 HB2 HIS A 22 8.869 8.681 10.521 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.569 8.881 11.679 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.146 5.926 9.557 1.00 0.00 H new ATOM 0 HE1 HIS A 22 7.135 4.291 12.909 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.640 3.787 10.858 1.00 0.00 H new ATOM 307 N LYS A 23 6.105 10.866 8.952 1.00 0.00 N ATOM 308 CA LYS A 23 6.208 12.213 8.417 1.00 0.00 C ATOM 309 C LYS A 23 5.373 13.164 9.277 1.00 0.00 C ATOM 310 O LYS A 23 4.615 12.722 10.140 1.00 0.00 O ATOM 311 CB LYS A 23 5.829 12.232 6.935 1.00 0.00 C ATOM 312 CG LYS A 23 4.310 12.192 6.757 1.00 0.00 C ATOM 313 CD LYS A 23 3.881 10.951 5.972 1.00 0.00 C ATOM 314 CE LYS A 23 2.359 10.885 5.839 1.00 0.00 C ATOM 315 NZ LYS A 23 1.713 11.114 7.151 1.00 0.00 N ATOM 0 H LYS A 23 5.162 10.585 9.222 1.00 0.00 H new ATOM 0 HA LYS A 23 7.239 12.563 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.230 13.130 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.281 11.378 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.826 12.194 7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.978 13.089 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.336 10.968 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.245 10.055 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.018 11.633 5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.064 9.912 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.836 10.558 7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.359 10.821 7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.489 12.124 7.256 1.00 0.00 H new ATOM 329 N GLU A 24 5.541 14.451 9.013 1.00 0.00 N ATOM 330 CA GLU A 24 4.812 15.468 9.752 1.00 0.00 C ATOM 331 C GLU A 24 3.449 15.721 9.104 1.00 0.00 C ATOM 332 O GLU A 24 3.192 15.263 7.992 1.00 0.00 O ATOM 333 CB GLU A 24 5.622 16.762 9.848 1.00 0.00 C ATOM 334 CG GLU A 24 6.735 16.637 10.891 1.00 0.00 C ATOM 335 CD GLU A 24 7.054 17.995 11.518 1.00 0.00 C ATOM 336 OE1 GLU A 24 6.109 18.605 12.063 1.00 0.00 O ATOM 337 OE2 GLU A 24 8.237 18.393 11.439 1.00 0.00 O ATOM 0 H GLU A 24 6.171 14.813 8.298 1.00 0.00 H new ATOM 0 HA GLU A 24 4.648 15.104 10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.055 16.997 8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.963 17.589 10.112 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.432 15.936 11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.631 16.228 10.424 1.00 0.00 H new ATOM 344 N GLU A 25 2.612 16.449 9.828 1.00 0.00 N ATOM 345 CA GLU A 25 1.282 16.768 9.338 1.00 0.00 C ATOM 346 C GLU A 25 1.372 17.521 8.009 1.00 0.00 C ATOM 347 O GLU A 25 1.667 18.715 7.986 1.00 0.00 O ATOM 348 CB GLU A 25 0.495 17.576 10.372 1.00 0.00 C ATOM 349 CG GLU A 25 -0.363 16.659 11.246 1.00 0.00 C ATOM 350 CD GLU A 25 -0.558 17.256 12.641 1.00 0.00 C ATOM 351 OE1 GLU A 25 0.454 17.724 13.205 1.00 0.00 O ATOM 352 OE2 GLU A 25 -1.716 17.230 13.113 1.00 0.00 O ATOM 0 H GLU A 25 2.829 16.827 10.750 1.00 0.00 H new ATOM 0 HA GLU A 25 0.746 15.834 9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.185 18.141 10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.142 18.301 9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.333 16.504 10.774 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.111 15.681 11.328 1.00 0.00 H new ATOM 359 N GLY A 26 1.114 16.791 6.933 1.00 0.00 N ATOM 360 CA GLY A 26 1.162 17.375 5.604 1.00 0.00 C ATOM 361 C GLY A 26 2.587 17.347 5.045 1.00 0.00 C ATOM 362 O GLY A 26 2.943 18.171 4.204 1.00 0.00 O ATOM 0 H GLY A 26 0.871 15.801 6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.495 16.828 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.802 18.403 5.641 1.00 0.00 H new ATOM 366 N ALA A 27 3.362 16.391 5.535 1.00 0.00 N ATOM 367 CA ALA A 27 4.739 16.245 5.094 1.00 0.00 C ATOM 368 C ALA A 27 4.765 15.523 3.746 1.00 0.00 C ATOM 369 O ALA A 27 5.626 15.793 2.910 1.00 0.00 O ATOM 370 CB ALA A 27 5.542 15.507 6.167 1.00 0.00 C ATOM 0 H ALA A 27 3.063 15.710 6.233 1.00 0.00 H new ATOM 0 HA ALA A 27 5.203 17.221 4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.575 15.397 5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.517 16.076 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.107 14.521 6.333 1.00 0.00 H new ATOM 376 N GLY A 28 3.811 14.619 3.576 1.00 0.00 N ATOM 377 CA GLY A 28 3.714 13.856 2.343 1.00 0.00 C ATOM 378 C GLY A 28 4.417 12.504 2.478 1.00 0.00 C ATOM 379 O GLY A 28 5.177 12.287 3.421 1.00 0.00 O ATOM 0 H GLY A 28 3.098 14.398 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.665 13.701 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.160 14.422 1.525 1.00 0.00 H new ATOM 383 N LEU A 29 4.140 11.631 1.522 1.00 0.00 N ATOM 384 CA LEU A 29 4.736 10.306 1.522 1.00 0.00 C ATOM 385 C LEU A 29 6.008 10.324 0.672 1.00 0.00 C ATOM 386 O LEU A 29 7.041 9.797 1.082 1.00 0.00 O ATOM 387 CB LEU A 29 3.714 9.258 1.077 1.00 0.00 C ATOM 388 CG LEU A 29 2.267 9.509 1.504 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.329 8.458 0.907 1.00 0.00 C ATOM 390 CD2 LEU A 29 2.149 9.583 3.027 1.00 0.00 C ATOM 0 H LEU A 29 3.510 11.815 0.741 1.00 0.00 H new ATOM 0 HA LEU A 29 5.031 10.021 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.744 9.189 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.024 8.289 1.467 1.00 0.00 H new ATOM 0 HG LEU A 29 1.958 10.477 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.306 8.660 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.384 8.497 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.627 7.467 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.110 9.762 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.484 8.642 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.769 10.398 3.401 1.00 0.00 H new ATOM 402 N GLY A 30 5.892 10.937 -0.497 1.00 0.00 N ATOM 403 CA GLY A 30 7.020 11.030 -1.409 1.00 0.00 C ATOM 404 C GLY A 30 6.698 10.367 -2.750 1.00 0.00 C ATOM 405 O GLY A 30 7.483 10.451 -3.692 1.00 0.00 O ATOM 0 H GLY A 30 5.034 11.374 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.277 12.077 -1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.893 10.552 -0.963 1.00 0.00 H new ATOM 409 N PHE A 31 5.541 9.723 -2.792 1.00 0.00 N ATOM 410 CA PHE A 31 5.105 9.046 -4.002 1.00 0.00 C ATOM 411 C PHE A 31 3.661 9.416 -4.348 1.00 0.00 C ATOM 412 O PHE A 31 2.951 9.994 -3.527 1.00 0.00 O ATOM 413 CB PHE A 31 5.182 7.543 -3.725 1.00 0.00 C ATOM 414 CG PHE A 31 4.055 7.016 -2.835 1.00 0.00 C ATOM 415 CD1 PHE A 31 4.125 7.169 -1.486 1.00 0.00 C ATOM 416 CD2 PHE A 31 2.982 6.393 -3.394 1.00 0.00 C ATOM 417 CE1 PHE A 31 3.079 6.680 -0.660 1.00 0.00 C ATOM 418 CE2 PHE A 31 1.936 5.903 -2.568 1.00 0.00 C ATOM 419 CZ PHE A 31 2.006 6.057 -1.218 1.00 0.00 C ATOM 0 H PHE A 31 4.892 9.656 -2.008 1.00 0.00 H new ATOM 0 HA PHE A 31 5.737 9.338 -4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.162 7.008 -4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.139 7.319 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.977 7.663 -1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.926 6.271 -4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.135 6.803 0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.085 5.408 -3.012 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.210 5.685 -0.590 1.00 0.00 H new ATOM 429 N SER A 32 3.270 9.066 -5.564 1.00 0.00 N ATOM 430 CA SER A 32 1.924 9.354 -6.029 1.00 0.00 C ATOM 431 C SER A 32 1.195 8.051 -6.363 1.00 0.00 C ATOM 432 O SER A 32 1.813 6.989 -6.426 1.00 0.00 O ATOM 433 CB SER A 32 1.948 10.277 -7.249 1.00 0.00 C ATOM 434 OG SER A 32 0.689 10.313 -7.916 1.00 0.00 O ATOM 0 H SER A 32 3.862 8.585 -6.242 1.00 0.00 H new ATOM 0 HA SER A 32 1.389 9.867 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.221 11.285 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.717 9.939 -7.944 1.00 0.00 H new ATOM 0 HG SER A 32 0.745 10.914 -8.688 1.00 0.00 H new ATOM 440 N LEU A 33 -0.108 8.174 -6.568 1.00 0.00 N ATOM 441 CA LEU A 33 -0.927 7.019 -6.893 1.00 0.00 C ATOM 442 C LEU A 33 -1.132 6.956 -8.408 1.00 0.00 C ATOM 443 O LEU A 33 -0.983 7.962 -9.101 1.00 0.00 O ATOM 444 CB LEU A 33 -2.233 7.046 -6.096 1.00 0.00 C ATOM 445 CG LEU A 33 -2.088 7.088 -4.574 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.278 6.408 -3.892 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.753 6.484 -4.133 1.00 0.00 C ATOM 0 H LEU A 33 -0.617 9.056 -6.515 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.422 6.099 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.810 7.916 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.816 6.164 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.088 8.132 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.151 6.451 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.199 6.921 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.333 5.367 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.676 6.526 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.697 5.446 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.066 7.049 -4.577 1.00 0.00 H new ATOM 459 N ALA A 34 -1.471 5.765 -8.878 1.00 0.00 N ATOM 460 CA ALA A 34 -1.698 5.557 -10.298 1.00 0.00 C ATOM 461 C ALA A 34 -2.794 4.507 -10.487 1.00 0.00 C ATOM 462 O ALA A 34 -2.903 3.569 -9.698 1.00 0.00 O ATOM 463 CB ALA A 34 -0.384 5.156 -10.972 1.00 0.00 C ATOM 0 H ALA A 34 -1.594 4.933 -8.300 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.039 6.478 -10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.554 5.000 -12.037 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.352 5.948 -10.834 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.012 4.234 -10.525 1.00 0.00 H new ATOM 469 N GLY A 35 -3.579 4.699 -11.537 1.00 0.00 N ATOM 470 CA GLY A 35 -4.663 3.779 -11.839 1.00 0.00 C ATOM 471 C GLY A 35 -5.951 4.197 -11.126 1.00 0.00 C ATOM 472 O GLY A 35 -5.994 5.240 -10.476 1.00 0.00 O ATOM 0 H GLY A 35 -3.486 5.478 -12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.832 3.751 -12.916 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.385 2.770 -11.533 1.00 0.00 H new ATOM 476 N GLY A 36 -6.968 3.360 -11.273 1.00 0.00 N ATOM 477 CA GLY A 36 -8.253 3.630 -10.651 1.00 0.00 C ATOM 478 C GLY A 36 -9.372 2.849 -11.344 1.00 0.00 C ATOM 479 O GLY A 36 -9.121 2.111 -12.295 1.00 0.00 O ATOM 0 H GLY A 36 -6.928 2.496 -11.813 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.215 3.359 -9.596 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.467 4.698 -10.698 1.00 0.00 H new ATOM 483 N ALA A 37 -10.583 3.040 -10.841 1.00 0.00 N ATOM 484 CA ALA A 37 -11.740 2.363 -11.400 1.00 0.00 C ATOM 485 C ALA A 37 -12.240 3.140 -12.619 1.00 0.00 C ATOM 486 O ALA A 37 -12.906 2.578 -13.487 1.00 0.00 O ATOM 487 CB ALA A 37 -12.816 2.216 -10.321 1.00 0.00 C ATOM 0 H ALA A 37 -10.788 3.654 -10.053 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.474 1.360 -11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.685 1.708 -10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.420 1.632 -9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.110 3.203 -9.964 1.00 0.00 H new ATOM 493 N ASP A 38 -11.899 4.420 -12.646 1.00 0.00 N ATOM 494 CA ASP A 38 -12.305 5.279 -13.745 1.00 0.00 C ATOM 495 C ASP A 38 -11.499 4.918 -14.994 1.00 0.00 C ATOM 496 O ASP A 38 -11.912 5.219 -16.113 1.00 0.00 O ATOM 497 CB ASP A 38 -12.040 6.751 -13.420 1.00 0.00 C ATOM 498 CG ASP A 38 -12.291 7.723 -14.574 1.00 0.00 C ATOM 499 OD1 ASP A 38 -11.386 7.833 -15.430 1.00 0.00 O ATOM 500 OD2 ASP A 38 -13.381 8.334 -14.575 1.00 0.00 O ATOM 0 H ASP A 38 -11.346 4.883 -11.924 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.372 5.132 -13.911 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.669 7.040 -12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.005 6.855 -13.096 1.00 0.00 H new ATOM 505 N LEU A 39 -10.362 4.279 -14.761 1.00 0.00 N ATOM 506 CA LEU A 39 -9.494 3.873 -15.853 1.00 0.00 C ATOM 507 C LEU A 39 -9.623 2.364 -16.069 1.00 0.00 C ATOM 508 O LEU A 39 -10.689 1.791 -15.849 1.00 0.00 O ATOM 509 CB LEU A 39 -8.059 4.337 -15.598 1.00 0.00 C ATOM 510 CG LEU A 39 -7.900 5.562 -14.695 1.00 0.00 C ATOM 511 CD1 LEU A 39 -8.879 6.668 -15.095 1.00 0.00 C ATOM 512 CD2 LEU A 39 -8.041 5.178 -13.220 1.00 0.00 C ATOM 0 H LEU A 39 -10.022 4.032 -13.832 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.800 4.355 -16.781 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.504 3.510 -15.155 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.593 4.556 -16.559 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.893 5.958 -14.830 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.746 7.527 -14.438 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.689 6.967 -16.126 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.901 6.299 -15.007 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.924 6.067 -12.600 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.026 4.744 -13.050 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.273 4.449 -12.959 1.00 0.00 H new ATOM 524 N GLU A 40 -8.523 1.763 -16.497 1.00 0.00 N ATOM 525 CA GLU A 40 -8.499 0.331 -16.744 1.00 0.00 C ATOM 526 C GLU A 40 -7.902 -0.405 -15.544 1.00 0.00 C ATOM 527 O GLU A 40 -8.295 -1.531 -15.243 1.00 0.00 O ATOM 528 CB GLU A 40 -7.728 0.009 -18.025 1.00 0.00 C ATOM 529 CG GLU A 40 -8.529 0.413 -19.264 1.00 0.00 C ATOM 530 CD GLU A 40 -9.087 -0.818 -19.982 1.00 0.00 C ATOM 531 OE1 GLU A 40 -8.390 -1.855 -19.955 1.00 0.00 O ATOM 532 OE2 GLU A 40 -10.199 -0.694 -20.540 1.00 0.00 O ATOM 0 H GLU A 40 -7.641 2.242 -16.679 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.525 -0.012 -16.881 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.772 0.532 -18.019 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.507 -1.058 -18.062 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.348 1.071 -18.973 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.892 0.978 -19.945 1.00 0.00 H new ATOM 539 N ASN A 41 -6.960 0.260 -14.890 1.00 0.00 N ATOM 540 CA ASN A 41 -6.304 -0.317 -13.730 1.00 0.00 C ATOM 541 C ASN A 41 -7.186 -0.111 -12.496 1.00 0.00 C ATOM 542 O ASN A 41 -7.086 0.913 -11.822 1.00 0.00 O ATOM 543 CB ASN A 41 -4.957 0.357 -13.466 1.00 0.00 C ATOM 544 CG ASN A 41 -3.971 0.076 -14.602 1.00 0.00 C ATOM 545 OD1 ASN A 41 -3.899 -1.017 -15.139 1.00 0.00 O ATOM 546 ND2 ASN A 41 -3.217 1.119 -14.935 1.00 0.00 N ATOM 0 H ASN A 41 -6.636 1.194 -15.142 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.144 -1.377 -13.926 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.099 1.433 -13.361 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.544 -0.004 -12.524 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.527 1.032 -15.681 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.329 2.006 -14.444 1.00 0.00 H new ATOM 553 N LYS A 42 -8.028 -1.101 -12.238 1.00 0.00 N ATOM 554 CA LYS A 42 -8.926 -1.041 -11.097 1.00 0.00 C ATOM 555 C LYS A 42 -8.110 -0.814 -9.823 1.00 0.00 C ATOM 556 O LYS A 42 -8.475 0.011 -8.986 1.00 0.00 O ATOM 557 CB LYS A 42 -9.812 -2.287 -11.047 1.00 0.00 C ATOM 558 CG LYS A 42 -10.774 -2.324 -12.236 1.00 0.00 C ATOM 559 CD LYS A 42 -11.693 -1.101 -12.237 1.00 0.00 C ATOM 560 CE LYS A 42 -13.138 -1.501 -12.543 1.00 0.00 C ATOM 561 NZ LYS A 42 -13.207 -2.263 -13.810 1.00 0.00 N ATOM 0 H LYS A 42 -8.107 -1.949 -12.799 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.609 -0.197 -11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.189 -3.181 -11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.379 -2.298 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.207 -2.358 -13.166 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.373 -3.233 -12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.647 -0.606 -11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.346 -0.382 -12.979 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.535 -2.104 -11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.761 -0.610 -12.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.157 -2.165 -14.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.500 -1.893 -14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.013 -3.267 -13.622 1.00 0.00 H new ATOM 575 N VAL A 43 -7.021 -1.561 -9.715 1.00 0.00 N ATOM 576 CA VAL A 43 -6.151 -1.452 -8.556 1.00 0.00 C ATOM 577 C VAL A 43 -5.179 -0.288 -8.762 1.00 0.00 C ATOM 578 O VAL A 43 -4.570 -0.163 -9.823 1.00 0.00 O ATOM 579 CB VAL A 43 -5.443 -2.785 -8.307 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.526 -3.146 -9.477 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.665 -2.754 -6.990 1.00 0.00 C ATOM 0 H VAL A 43 -6.721 -2.244 -10.411 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.733 -1.236 -7.660 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.205 -3.560 -8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.035 -4.098 -9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.116 -3.229 -10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.772 -2.368 -9.602 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.171 -3.713 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.917 -1.962 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.352 -2.564 -6.166 1.00 0.00 H new ATOM 591 N ILE A 44 -5.065 0.535 -7.729 1.00 0.00 N ATOM 592 CA ILE A 44 -4.177 1.684 -7.783 1.00 0.00 C ATOM 593 C ILE A 44 -2.738 1.224 -7.543 1.00 0.00 C ATOM 594 O ILE A 44 -2.494 0.339 -6.723 1.00 0.00 O ATOM 595 CB ILE A 44 -4.646 2.769 -6.812 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.827 3.551 -7.392 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.489 3.688 -6.416 1.00 0.00 C ATOM 598 CD1 ILE A 44 -7.085 2.683 -7.448 1.00 0.00 C ATOM 0 H ILE A 44 -5.573 0.429 -6.851 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.205 2.140 -8.773 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.997 2.284 -5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.017 4.434 -6.782 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.578 3.902 -8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.850 4.450 -5.725 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.707 3.101 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.084 4.168 -7.307 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.909 3.263 -7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.899 1.813 -8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.345 2.354 -6.442 1.00 0.00 H new ATOM 610 N THR A 45 -1.822 1.845 -8.272 1.00 0.00 N ATOM 611 CA THR A 45 -0.414 1.510 -8.148 1.00 0.00 C ATOM 612 C THR A 45 0.413 2.771 -7.890 1.00 0.00 C ATOM 613 O THR A 45 -0.104 3.884 -7.967 1.00 0.00 O ATOM 614 CB THR A 45 0.006 0.755 -9.411 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.715 1.401 -10.457 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.514 -0.684 -9.433 1.00 0.00 C ATOM 0 H THR A 45 -2.028 2.578 -8.951 1.00 0.00 H new ATOM 0 HA THR A 45 -0.236 0.861 -7.290 1.00 0.00 H new ATOM 0 HB THR A 45 1.093 0.749 -9.486 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.501 0.975 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.188 -1.175 -10.350 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.122 -1.226 -8.572 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.603 -0.678 -9.392 1.00 0.00 H new ATOM 624 N VAL A 46 1.685 2.554 -7.590 1.00 0.00 N ATOM 625 CA VAL A 46 2.590 3.659 -7.320 1.00 0.00 C ATOM 626 C VAL A 46 2.998 4.312 -8.642 1.00 0.00 C ATOM 627 O VAL A 46 3.862 3.798 -9.351 1.00 0.00 O ATOM 628 CB VAL A 46 3.785 3.169 -6.501 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.678 4.339 -6.081 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.323 2.368 -5.282 1.00 0.00 C ATOM 0 H VAL A 46 2.111 1.629 -7.528 1.00 0.00 H new ATOM 0 HA VAL A 46 2.094 4.422 -6.720 1.00 0.00 H new ATOM 0 HB VAL A 46 4.375 2.506 -7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.520 3.964 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.049 4.851 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.101 5.037 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.192 2.031 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.700 2.998 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.747 1.503 -5.612 1.00 0.00 H new ATOM 640 N HIS A 47 2.358 5.434 -8.934 1.00 0.00 N ATOM 641 CA HIS A 47 2.644 6.163 -10.159 1.00 0.00 C ATOM 642 C HIS A 47 4.140 6.475 -10.232 1.00 0.00 C ATOM 643 O HIS A 47 4.825 6.037 -11.155 1.00 0.00 O ATOM 644 CB HIS A 47 1.771 7.415 -10.263 1.00 0.00 C ATOM 645 CG HIS A 47 1.968 8.196 -11.540 1.00 0.00 C ATOM 646 ND1 HIS A 47 0.918 8.766 -12.239 1.00 0.00 N ATOM 647 CD2 HIS A 47 3.102 8.497 -12.234 1.00 0.00 C ATOM 648 CE1 HIS A 47 1.411 9.379 -13.306 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.764 9.211 -13.301 1.00 0.00 N ATOM 0 H HIS A 47 1.642 5.857 -8.344 1.00 0.00 H new ATOM 0 HA HIS A 47 2.394 5.545 -11.021 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.724 7.123 -10.186 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.984 8.066 -9.415 1.00 0.00 H new ATOM 0 HD2 HIS A 47 4.105 8.204 -11.962 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.841 9.917 -14.049 1.00 0.00 H new ATOM 0 HE2 HIS A 47 3.410 9.574 -14.002 1.00 0.00 H new ATOM 657 N ARG A 48 4.603 7.231 -9.247 1.00 0.00 N ATOM 658 CA ARG A 48 6.005 7.608 -9.189 1.00 0.00 C ATOM 659 C ARG A 48 6.451 7.767 -7.734 1.00 0.00 C ATOM 660 O ARG A 48 5.627 7.991 -6.849 1.00 0.00 O ATOM 661 CB ARG A 48 6.255 8.919 -9.938 1.00 0.00 C ATOM 662 CG ARG A 48 7.229 8.709 -11.099 1.00 0.00 C ATOM 663 CD ARG A 48 6.476 8.460 -12.408 1.00 0.00 C ATOM 664 NE ARG A 48 7.423 8.459 -13.545 1.00 0.00 N ATOM 665 CZ ARG A 48 8.073 9.546 -13.982 1.00 0.00 C ATOM 666 NH1 ARG A 48 7.881 10.728 -13.382 1.00 0.00 N ATOM 667 NH2 ARG A 48 8.914 9.451 -15.021 1.00 0.00 N ATOM 0 H ARG A 48 4.032 7.592 -8.483 1.00 0.00 H new ATOM 0 HA ARG A 48 6.582 6.815 -9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.311 9.311 -10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.657 9.664 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.869 9.585 -11.204 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.881 7.862 -10.883 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.952 7.505 -12.360 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.720 9.231 -12.555 1.00 0.00 H new ATOM 0 HE ARG A 48 7.591 7.576 -14.026 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.240 10.801 -12.592 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.376 11.555 -13.715 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.059 8.551 -15.479 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.409 10.278 -15.354 1.00 0.00 H new ATOM 681 N VAL A 49 7.755 7.645 -7.532 1.00 0.00 N ATOM 682 CA VAL A 49 8.321 7.772 -6.200 1.00 0.00 C ATOM 683 C VAL A 49 9.420 8.837 -6.217 1.00 0.00 C ATOM 684 O VAL A 49 10.565 8.548 -6.561 1.00 0.00 O ATOM 685 CB VAL A 49 8.817 6.410 -5.710 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.204 6.467 -4.231 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.769 5.323 -5.960 1.00 0.00 C ATOM 0 H VAL A 49 8.436 7.460 -8.269 1.00 0.00 H new ATOM 0 HA VAL A 49 7.560 8.100 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 49 9.710 6.154 -6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.553 5.486 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.999 7.199 -4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.336 6.756 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.146 4.365 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.851 5.573 -5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.562 5.256 -7.028 1.00 0.00 H new ATOM 697 N PHE A 50 9.032 10.047 -5.840 1.00 0.00 N ATOM 698 CA PHE A 50 9.970 11.156 -5.808 1.00 0.00 C ATOM 699 C PHE A 50 11.348 10.696 -5.329 1.00 0.00 C ATOM 700 O PHE A 50 11.460 9.705 -4.609 1.00 0.00 O ATOM 701 CB PHE A 50 9.415 12.182 -4.817 1.00 0.00 C ATOM 702 CG PHE A 50 7.966 12.589 -5.089 1.00 0.00 C ATOM 703 CD1 PHE A 50 7.397 12.316 -6.294 1.00 0.00 C ATOM 704 CD2 PHE A 50 7.246 13.223 -4.125 1.00 0.00 C ATOM 705 CE1 PHE A 50 6.052 12.694 -6.546 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.900 13.601 -4.378 1.00 0.00 C ATOM 707 CZ PHE A 50 5.332 13.328 -5.583 1.00 0.00 C ATOM 0 H PHE A 50 8.082 10.283 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 50 10.084 11.575 -6.808 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.483 11.772 -3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.043 13.073 -4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.969 11.812 -7.059 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.697 13.439 -3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.601 12.478 -7.503 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.328 14.105 -3.613 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.309 13.615 -5.775 1.00 0.00 H new ATOM 717 N PRO A 51 12.390 11.457 -5.759 1.00 0.00 N ATOM 718 CA PRO A 51 13.756 11.137 -5.382 1.00 0.00 C ATOM 719 C PRO A 51 14.029 11.525 -3.927 1.00 0.00 C ATOM 720 O PRO A 51 14.812 10.868 -3.243 1.00 0.00 O ATOM 721 CB PRO A 51 14.625 11.895 -6.372 1.00 0.00 C ATOM 722 CG PRO A 51 13.735 12.973 -6.969 1.00 0.00 C ATOM 723 CD PRO A 51 12.295 12.637 -6.613 1.00 0.00 C ATOM 0 HA PRO A 51 13.965 10.068 -5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.490 12.334 -5.876 1.00 0.00 H new ATOM 0 HB3 PRO A 51 15.006 11.230 -7.147 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.007 13.953 -6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.861 13.016 -8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.812 13.464 -6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.704 12.433 -7.506 1.00 0.00 H new ATOM 731 N ASN A 52 13.367 12.589 -3.498 1.00 0.00 N ATOM 732 CA ASN A 52 13.528 13.072 -2.138 1.00 0.00 C ATOM 733 C ASN A 52 12.201 12.928 -1.390 1.00 0.00 C ATOM 734 O ASN A 52 11.405 13.865 -1.344 1.00 0.00 O ATOM 735 CB ASN A 52 13.922 14.550 -2.121 1.00 0.00 C ATOM 736 CG ASN A 52 15.382 14.734 -2.542 1.00 0.00 C ATOM 737 OD1 ASN A 52 16.309 14.373 -1.835 1.00 0.00 O ATOM 738 ND2 ASN A 52 15.533 15.313 -3.729 1.00 0.00 N ATOM 0 H ASN A 52 12.718 13.130 -4.069 1.00 0.00 H new ATOM 0 HA ASN A 52 14.313 12.484 -1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.273 15.111 -2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.774 14.958 -1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.468 15.480 -4.100 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.713 15.590 -4.269 1.00 0.00 H new ATOM 745 N GLY A 53 12.004 11.747 -0.822 1.00 0.00 N ATOM 746 CA GLY A 53 10.787 11.469 -0.078 1.00 0.00 C ATOM 747 C GLY A 53 11.008 10.341 0.932 1.00 0.00 C ATOM 748 O GLY A 53 12.141 9.921 1.161 1.00 0.00 O ATOM 0 H GLY A 53 12.666 10.972 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.461 12.369 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.990 11.193 -0.768 1.00 0.00 H new ATOM 752 N LEU A 54 9.907 9.883 1.510 1.00 0.00 N ATOM 753 CA LEU A 54 9.966 8.813 2.491 1.00 0.00 C ATOM 754 C LEU A 54 9.705 7.475 1.795 1.00 0.00 C ATOM 755 O LEU A 54 10.419 6.501 2.028 1.00 0.00 O ATOM 756 CB LEU A 54 9.014 9.098 3.653 1.00 0.00 C ATOM 757 CG LEU A 54 9.138 10.480 4.299 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.760 11.106 4.524 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.954 10.409 5.592 1.00 0.00 C ATOM 0 H LEU A 54 8.969 10.234 1.317 1.00 0.00 H new ATOM 0 HA LEU A 54 10.961 8.755 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.991 8.976 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.176 8.343 4.423 1.00 0.00 H new ATOM 0 HG LEU A 54 9.679 11.131 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.877 12.087 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.248 11.212 3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.172 10.465 5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.027 11.404 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.463 9.737 6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.954 10.035 5.371 1.00 0.00 H new ATOM 771 N ALA A 55 8.680 7.471 0.956 1.00 0.00 N ATOM 772 CA ALA A 55 8.316 6.269 0.225 1.00 0.00 C ATOM 773 C ALA A 55 9.558 5.699 -0.462 1.00 0.00 C ATOM 774 O ALA A 55 9.793 4.492 -0.426 1.00 0.00 O ATOM 775 CB ALA A 55 7.198 6.594 -0.768 1.00 0.00 C ATOM 0 H ALA A 55 8.090 8.281 0.766 1.00 0.00 H new ATOM 0 HA ALA A 55 7.937 5.507 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.925 5.692 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.328 6.967 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.543 7.354 -1.469 1.00 0.00 H new ATOM 781 N SER A 56 10.322 6.594 -1.071 1.00 0.00 N ATOM 782 CA SER A 56 11.534 6.195 -1.765 1.00 0.00 C ATOM 783 C SER A 56 12.592 5.745 -0.755 1.00 0.00 C ATOM 784 O SER A 56 13.251 4.726 -0.953 1.00 0.00 O ATOM 785 CB SER A 56 12.076 7.336 -2.628 1.00 0.00 C ATOM 786 OG SER A 56 13.167 6.917 -3.444 1.00 0.00 O ATOM 0 H SER A 56 10.125 7.594 -1.098 1.00 0.00 H new ATOM 0 HA SER A 56 11.292 5.361 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.277 7.722 -3.261 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.398 8.155 -1.985 1.00 0.00 H new ATOM 0 HG SER A 56 13.484 7.673 -3.981 1.00 0.00 H new ATOM 792 N GLN A 57 12.720 6.528 0.306 1.00 0.00 N ATOM 793 CA GLN A 57 13.686 6.223 1.348 1.00 0.00 C ATOM 794 C GLN A 57 13.491 4.791 1.851 1.00 0.00 C ATOM 795 O GLN A 57 14.453 4.033 1.962 1.00 0.00 O ATOM 796 CB GLN A 57 13.586 7.227 2.499 1.00 0.00 C ATOM 797 CG GLN A 57 14.739 8.232 2.452 1.00 0.00 C ATOM 798 CD GLN A 57 15.623 8.111 3.695 1.00 0.00 C ATOM 799 OE1 GLN A 57 16.841 8.105 3.624 1.00 0.00 O ATOM 800 NE2 GLN A 57 14.943 8.017 4.834 1.00 0.00 N ATOM 0 H GLN A 57 12.171 7.373 0.467 1.00 0.00 H new ATOM 0 HA GLN A 57 14.687 6.305 0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.635 7.756 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.600 6.697 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.338 8.062 1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.341 9.244 2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.923 8.028 4.822 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.441 7.934 5.720 1.00 0.00 H new ATOM 809 N GLU A 58 12.240 4.465 2.140 1.00 0.00 N ATOM 810 CA GLU A 58 11.907 3.138 2.628 1.00 0.00 C ATOM 811 C GLU A 58 12.345 2.075 1.617 1.00 0.00 C ATOM 812 O GLU A 58 12.848 1.020 1.999 1.00 0.00 O ATOM 813 CB GLU A 58 10.412 3.024 2.930 1.00 0.00 C ATOM 814 CG GLU A 58 10.129 1.850 3.869 1.00 0.00 C ATOM 815 CD GLU A 58 10.705 2.111 5.262 1.00 0.00 C ATOM 816 OE1 GLU A 58 10.027 2.825 6.032 1.00 0.00 O ATOM 817 OE2 GLU A 58 11.811 1.591 5.526 1.00 0.00 O ATOM 0 H GLU A 58 11.445 5.097 2.046 1.00 0.00 H new ATOM 0 HA GLU A 58 12.446 2.969 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.057 3.950 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.859 2.892 2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.053 1.688 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.562 0.938 3.458 1.00 0.00 H new ATOM 824 N GLY A 59 12.137 2.391 0.347 1.00 0.00 N ATOM 825 CA GLY A 59 12.503 1.477 -0.721 1.00 0.00 C ATOM 826 C GLY A 59 11.457 0.372 -0.881 1.00 0.00 C ATOM 827 O GLY A 59 11.637 -0.548 -1.676 1.00 0.00 O ATOM 0 H GLY A 59 11.720 3.267 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.602 2.027 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.476 1.034 -0.507 1.00 0.00 H new ATOM 831 N THR A 60 10.385 0.500 -0.111 1.00 0.00 N ATOM 832 CA THR A 60 9.310 -0.475 -0.158 1.00 0.00 C ATOM 833 C THR A 60 8.318 -0.123 -1.268 1.00 0.00 C ATOM 834 O THR A 60 7.925 -0.986 -2.051 1.00 0.00 O ATOM 835 CB THR A 60 8.671 -0.540 1.231 1.00 0.00 C ATOM 836 OG1 THR A 60 9.408 -1.557 1.905 1.00 0.00 O ATOM 837 CG2 THR A 60 7.240 -1.081 1.192 1.00 0.00 C ATOM 0 H THR A 60 10.239 1.264 0.548 1.00 0.00 H new ATOM 0 HA THR A 60 9.686 -1.468 -0.406 1.00 0.00 H new ATOM 0 HB THR A 60 8.671 0.454 1.678 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.105 -1.619 2.835 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.833 -1.107 2.203 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.623 -0.434 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.243 -2.089 0.777 1.00 0.00 H new ATOM 845 N ILE A 61 7.941 1.147 -1.300 1.00 0.00 N ATOM 846 CA ILE A 61 7.002 1.624 -2.301 1.00 0.00 C ATOM 847 C ILE A 61 7.775 2.104 -3.531 1.00 0.00 C ATOM 848 O ILE A 61 8.253 3.237 -3.564 1.00 0.00 O ATOM 849 CB ILE A 61 6.075 2.685 -1.703 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.551 2.247 -0.334 1.00 0.00 C ATOM 851 CG2 ILE A 61 4.939 3.027 -2.669 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.950 3.430 0.427 1.00 0.00 C ATOM 0 H ILE A 61 8.269 1.860 -0.649 1.00 0.00 H new ATOM 0 HA ILE A 61 6.351 0.814 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 61 6.653 3.596 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.797 1.471 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.363 1.811 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.295 3.783 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.356 3.412 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.355 2.130 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.585 3.091 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.713 4.194 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.123 3.849 -0.146 1.00 0.00 H new ATOM 864 N GLN A 62 7.873 1.219 -4.511 1.00 0.00 N ATOM 865 CA GLN A 62 8.579 1.539 -5.740 1.00 0.00 C ATOM 866 C GLN A 62 7.593 1.660 -6.903 1.00 0.00 C ATOM 867 O GLN A 62 6.747 0.789 -7.098 1.00 0.00 O ATOM 868 CB GLN A 62 9.656 0.494 -6.041 1.00 0.00 C ATOM 869 CG GLN A 62 10.891 0.711 -5.165 1.00 0.00 C ATOM 870 CD GLN A 62 11.874 -0.453 -5.303 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.739 -0.470 -6.163 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.693 -1.423 -4.411 1.00 0.00 N ATOM 0 H GLN A 62 7.475 0.280 -4.479 1.00 0.00 H new ATOM 0 HA GLN A 62 9.077 2.500 -5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.256 -0.505 -5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.937 0.549 -7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.383 1.642 -5.448 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.588 0.814 -4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.949 -1.346 -3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.298 -2.244 -4.421 1.00 0.00 H new ATOM 881 N LYS A 63 7.735 2.748 -7.646 1.00 0.00 N ATOM 882 CA LYS A 63 6.866 2.994 -8.785 1.00 0.00 C ATOM 883 C LYS A 63 6.588 1.673 -9.504 1.00 0.00 C ATOM 884 O LYS A 63 7.506 0.895 -9.760 1.00 0.00 O ATOM 885 CB LYS A 63 7.464 4.073 -9.691 1.00 0.00 C ATOM 886 CG LYS A 63 8.004 3.464 -10.986 1.00 0.00 C ATOM 887 CD LYS A 63 8.939 4.440 -11.703 1.00 0.00 C ATOM 888 CE LYS A 63 10.382 3.932 -11.683 1.00 0.00 C ATOM 889 NZ LYS A 63 11.231 4.747 -12.581 1.00 0.00 N ATOM 0 H LYS A 63 8.438 3.469 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 63 5.904 3.385 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.704 4.819 -9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.267 4.590 -9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.538 2.541 -10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.174 3.201 -11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.611 4.573 -12.734 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.887 5.418 -11.224 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.774 3.972 -10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.411 2.888 -11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.207 4.389 -12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.866 4.687 -13.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.218 5.738 -12.266 1.00 0.00 H new ATOM 903 N GLY A 64 5.317 1.459 -9.810 1.00 0.00 N ATOM 904 CA GLY A 64 4.905 0.245 -10.495 1.00 0.00 C ATOM 905 C GLY A 64 4.402 -0.802 -9.499 1.00 0.00 C ATOM 906 O GLY A 64 3.774 -1.785 -9.891 1.00 0.00 O ATOM 0 H GLY A 64 4.558 2.106 -9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.118 0.477 -11.213 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.744 -0.160 -11.061 1.00 0.00 H new ATOM 910 N ASN A 65 4.697 -0.556 -8.231 1.00 0.00 N ATOM 911 CA ASN A 65 4.283 -1.466 -7.177 1.00 0.00 C ATOM 912 C ASN A 65 2.756 -1.475 -7.088 1.00 0.00 C ATOM 913 O ASN A 65 2.088 -0.672 -7.738 1.00 0.00 O ATOM 914 CB ASN A 65 4.832 -1.022 -5.819 1.00 0.00 C ATOM 915 CG ASN A 65 6.043 -1.866 -5.416 1.00 0.00 C ATOM 916 OD1 ASN A 65 6.221 -2.233 -4.266 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.863 -2.151 -6.423 1.00 0.00 N ATOM 0 H ASN A 65 5.218 0.260 -7.910 1.00 0.00 H new ATOM 0 HA ASN A 65 4.669 -2.457 -7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.115 0.030 -5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.054 -1.111 -5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.701 -2.709 -6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.654 -1.812 -7.362 1.00 0.00 H new ATOM 924 N GLU A 66 2.247 -2.393 -6.279 1.00 0.00 N ATOM 925 CA GLU A 66 0.811 -2.518 -6.098 1.00 0.00 C ATOM 926 C GLU A 66 0.389 -1.896 -4.765 1.00 0.00 C ATOM 927 O GLU A 66 1.003 -2.157 -3.732 1.00 0.00 O ATOM 928 CB GLU A 66 0.372 -3.981 -6.184 1.00 0.00 C ATOM 929 CG GLU A 66 -1.130 -4.119 -5.930 1.00 0.00 C ATOM 930 CD GLU A 66 -1.920 -3.998 -7.234 1.00 0.00 C ATOM 931 OE1 GLU A 66 -1.619 -3.053 -7.995 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.807 -4.854 -7.442 1.00 0.00 O ATOM 0 H GLU A 66 2.804 -3.057 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 66 0.314 -1.977 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.616 -4.380 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.924 -4.573 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.337 -5.082 -5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.456 -3.350 -5.230 1.00 0.00 H new ATOM 939 N VAL A 67 -0.657 -1.086 -4.832 1.00 0.00 N ATOM 940 CA VAL A 67 -1.169 -0.425 -3.643 1.00 0.00 C ATOM 941 C VAL A 67 -2.468 -1.105 -3.206 1.00 0.00 C ATOM 942 O VAL A 67 -3.554 -0.703 -3.624 1.00 0.00 O ATOM 943 CB VAL A 67 -1.337 1.072 -3.908 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.886 1.790 -2.673 1.00 0.00 C ATOM 945 CG2 VAL A 67 -0.019 1.700 -4.366 1.00 0.00 C ATOM 0 H VAL A 67 -1.164 -0.872 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.461 -0.518 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.062 1.189 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.996 2.853 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.857 1.371 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.196 1.658 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.167 2.765 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.737 1.565 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.314 1.218 -5.285 1.00 0.00 H new ATOM 955 N LEU A 68 -2.315 -2.122 -2.371 1.00 0.00 N ATOM 956 CA LEU A 68 -3.463 -2.861 -1.874 1.00 0.00 C ATOM 957 C LEU A 68 -4.368 -1.916 -1.081 1.00 0.00 C ATOM 958 O LEU A 68 -5.576 -1.870 -1.309 1.00 0.00 O ATOM 959 CB LEU A 68 -3.008 -4.087 -1.079 1.00 0.00 C ATOM 960 CG LEU A 68 -1.991 -4.996 -1.773 1.00 0.00 C ATOM 961 CD1 LEU A 68 -0.956 -5.521 -0.777 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.692 -6.131 -2.523 1.00 0.00 C ATOM 0 H LEU A 68 -1.413 -2.452 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.054 -3.249 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.578 -3.746 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.887 -4.681 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.454 -4.404 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.245 -6.164 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.425 -4.682 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.459 -6.092 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.947 -6.762 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.272 -6.729 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.358 -5.712 -3.277 1.00 0.00 H new ATOM 974 N SER A 69 -3.749 -1.185 -0.166 1.00 0.00 N ATOM 975 CA SER A 69 -4.483 -0.243 0.662 1.00 0.00 C ATOM 976 C SER A 69 -3.577 0.924 1.058 1.00 0.00 C ATOM 977 O SER A 69 -2.365 0.869 0.856 1.00 0.00 O ATOM 978 CB SER A 69 -5.043 -0.928 1.911 1.00 0.00 C ATOM 979 OG SER A 69 -4.070 -1.023 2.948 1.00 0.00 O ATOM 0 H SER A 69 -2.747 -1.226 0.020 1.00 0.00 H new ATOM 0 HA SER A 69 -5.323 0.139 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.907 -0.371 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.394 -1.926 1.651 1.00 0.00 H new ATOM 0 HG SER A 69 -4.466 -1.464 3.728 1.00 0.00 H new ATOM 985 N ILE A 70 -4.199 1.953 1.614 1.00 0.00 N ATOM 986 CA ILE A 70 -3.464 3.132 2.040 1.00 0.00 C ATOM 987 C ILE A 70 -4.106 3.698 3.308 1.00 0.00 C ATOM 988 O ILE A 70 -5.273 4.087 3.296 1.00 0.00 O ATOM 989 CB ILE A 70 -3.364 4.143 0.896 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.163 3.840 -0.002 1.00 0.00 C ATOM 991 CG2 ILE A 70 -3.332 5.576 1.432 1.00 0.00 C ATOM 992 CD1 ILE A 70 -1.821 5.042 -0.885 1.00 0.00 C ATOM 0 H ILE A 70 -5.205 1.995 1.780 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.437 2.870 2.293 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.258 4.049 0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.302 3.579 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.382 2.975 -0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.261 6.275 0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.244 5.774 1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.468 5.701 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.964 4.800 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.676 5.285 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.579 5.899 -0.256 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.315 3.726 4.371 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.792 4.239 5.644 1.00 0.00 C ATOM 1006 C ASN A 71 -4.579 3.144 6.367 1.00 0.00 C ATOM 1007 O ASN A 71 -5.096 3.365 7.461 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.724 5.436 5.442 1.00 0.00 C ATOM 1009 CG ASN A 71 -4.495 6.496 6.522 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -5.304 6.694 7.414 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -3.353 7.164 6.391 1.00 0.00 N ATOM 0 H ASN A 71 -2.348 3.402 4.377 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.926 4.551 6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.554 5.872 4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.761 5.103 5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.109 7.893 7.061 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.721 6.947 5.620 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.646 1.986 5.726 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.361 0.856 6.294 1.00 0.00 C ATOM 1020 C GLY A 72 -6.727 0.680 5.627 1.00 0.00 C ATOM 1021 O GLY A 72 -7.520 -0.164 6.041 1.00 0.00 O ATOM 0 H GLY A 72 -4.217 1.806 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.771 -0.052 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.492 1.006 7.366 1.00 0.00 H new ATOM 1025 N LYS A 73 -6.960 1.492 4.606 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.216 1.437 3.878 1.00 0.00 C ATOM 1027 C LYS A 73 -7.979 0.798 2.508 1.00 0.00 C ATOM 1028 O LYS A 73 -7.250 1.345 1.682 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.856 2.825 3.807 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.818 2.925 2.622 1.00 0.00 C ATOM 1031 CD LYS A 73 -10.225 4.378 2.368 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.420 4.454 1.416 1.00 0.00 C ATOM 1033 NZ LYS A 73 -12.540 5.189 2.046 1.00 0.00 N ATOM 0 H LYS A 73 -6.300 2.191 4.266 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.934 0.807 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.392 3.030 4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.079 3.583 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.345 2.515 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.706 2.324 2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.477 4.859 3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.383 4.927 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.125 4.951 0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.743 3.448 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.136 5.613 1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.110 4.532 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.162 5.940 2.658 1.00 0.00 H new ATOM 1047 N SER A 74 -8.609 -0.351 2.309 1.00 0.00 N ATOM 1048 CA SER A 74 -8.476 -1.069 1.054 1.00 0.00 C ATOM 1049 C SER A 74 -9.263 -0.354 -0.045 1.00 0.00 C ATOM 1050 O SER A 74 -10.216 0.370 0.240 1.00 0.00 O ATOM 1051 CB SER A 74 -8.955 -2.516 1.194 1.00 0.00 C ATOM 1052 OG SER A 74 -9.243 -2.854 2.548 1.00 0.00 O ATOM 0 H SER A 74 -9.213 -0.802 2.996 1.00 0.00 H new ATOM 0 HA SER A 74 -7.421 -1.088 0.782 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.848 -2.663 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.191 -3.190 0.807 1.00 0.00 H new ATOM 0 HG SER A 74 -9.547 -3.784 2.595 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.836 -0.580 -1.279 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.489 0.034 -2.422 1.00 0.00 C ATOM 1060 C LEU A 75 -10.614 -0.880 -2.913 1.00 0.00 C ATOM 1061 O LEU A 75 -10.354 -1.958 -3.445 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.463 0.382 -3.502 1.00 0.00 C ATOM 1063 CG LEU A 75 -7.103 0.873 -3.002 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -6.018 0.650 -4.058 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.178 2.335 -2.557 1.00 0.00 C ATOM 0 H LEU A 75 -8.045 -1.180 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.949 0.980 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.303 -0.501 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.890 1.150 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.827 0.284 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.061 1.008 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.944 -0.414 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.275 1.197 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.198 2.659 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.486 2.956 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.903 2.433 -1.749 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.839 -0.415 -2.718 1.00 0.00 N ATOM 1078 CA LYS A 76 -13.004 -1.177 -3.135 1.00 0.00 C ATOM 1079 C LYS A 76 -13.339 -0.835 -4.588 1.00 0.00 C ATOM 1080 O LYS A 76 -14.409 -1.186 -5.082 1.00 0.00 O ATOM 1081 CB LYS A 76 -14.166 -0.951 -2.166 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.432 0.543 -1.967 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.818 1.039 -0.656 1.00 0.00 C ATOM 1084 CE LYS A 76 -13.616 2.555 -0.684 1.00 0.00 C ATOM 1085 NZ LYS A 76 -14.301 3.190 0.464 1.00 0.00 N ATOM 0 H LYS A 76 -12.050 0.480 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.793 -2.246 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.064 -1.436 -2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.939 -1.415 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.016 1.105 -2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.506 0.727 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.466 0.770 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.861 0.544 -0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.551 2.787 -0.653 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.004 2.962 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.226 4.224 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.304 2.915 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.855 2.878 1.350 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.403 -0.153 -5.233 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.586 0.241 -6.619 1.00 0.00 C ATOM 1101 C GLY A 77 -12.644 1.764 -6.754 1.00 0.00 C ATOM 1102 O GLY A 77 -13.249 2.285 -7.690 1.00 0.00 O ATOM 0 H GLY A 77 -11.516 0.136 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.767 -0.150 -7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.506 -0.197 -7.007 1.00 0.00 H new ATOM 1106 N THR A 78 -12.008 2.435 -5.805 1.00 0.00 N ATOM 1107 CA THR A 78 -11.981 3.887 -5.806 1.00 0.00 C ATOM 1108 C THR A 78 -11.541 4.412 -7.175 1.00 0.00 C ATOM 1109 O THR A 78 -10.706 3.800 -7.839 1.00 0.00 O ATOM 1110 CB THR A 78 -11.074 4.344 -4.661 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.105 3.257 -3.740 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.668 5.515 -3.876 1.00 0.00 C ATOM 0 H THR A 78 -11.508 2.000 -5.030 1.00 0.00 H new ATOM 0 HA THR A 78 -12.975 4.301 -5.638 1.00 0.00 H new ATOM 0 HB THR A 78 -10.101 4.631 -5.060 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.541 3.468 -2.966 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.985 5.800 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.817 6.363 -4.545 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.625 5.218 -3.448 1.00 0.00 H new ATOM 1120 N THR A 79 -12.124 5.539 -7.556 1.00 0.00 N ATOM 1121 CA THR A 79 -11.804 6.152 -8.833 1.00 0.00 C ATOM 1122 C THR A 79 -10.410 6.782 -8.787 1.00 0.00 C ATOM 1123 O THR A 79 -9.787 6.843 -7.729 1.00 0.00 O ATOM 1124 CB THR A 79 -12.912 7.152 -9.169 1.00 0.00 C ATOM 1125 OG1 THR A 79 -13.181 7.801 -7.930 1.00 0.00 O ATOM 1126 CG2 THR A 79 -14.232 6.465 -9.524 1.00 0.00 C ATOM 0 H THR A 79 -12.816 6.043 -7.002 1.00 0.00 H new ATOM 0 HA THR A 79 -11.765 5.409 -9.630 1.00 0.00 H new ATOM 0 HB THR A 79 -12.594 7.780 -10.001 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.009 7.443 -7.546 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.984 7.219 -9.754 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.086 5.822 -10.392 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.568 5.863 -8.679 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.962 7.236 -9.949 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.654 7.859 -10.055 1.00 0.00 C ATOM 1136 C HIS A 80 -8.567 9.037 -9.082 1.00 0.00 C ATOM 1137 O HIS A 80 -7.581 9.178 -8.359 1.00 0.00 O ATOM 1138 CB HIS A 80 -8.360 8.262 -11.501 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.892 8.463 -11.796 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.952 7.460 -11.637 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -6.215 9.559 -12.242 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.765 7.943 -11.974 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.930 9.244 -12.348 1.00 0.00 N ATOM 0 H HIS A 80 -10.482 7.185 -10.825 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.882 7.143 -9.775 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.753 7.495 -12.168 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.895 9.184 -11.726 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -6.141 6.511 -11.315 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.650 10.521 -12.470 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.831 7.401 -11.956 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.611 9.852 -9.094 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.664 11.013 -8.222 1.00 0.00 C ATOM 1153 C HIS A 81 -9.873 10.558 -6.776 1.00 0.00 C ATOM 1154 O HIS A 81 -9.036 10.819 -5.913 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.735 11.998 -8.694 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.618 13.373 -8.080 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -10.924 14.532 -8.773 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -10.226 13.762 -6.833 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -10.721 15.565 -7.969 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -10.288 15.086 -6.768 1.00 0.00 N ATOM 0 H HIS A 81 -10.427 9.731 -9.694 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.716 11.549 -8.265 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.677 12.089 -9.779 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.718 11.589 -8.460 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.917 13.104 -6.034 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.872 16.604 -8.221 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.051 15.652 -5.953 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.994 9.888 -6.556 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.323 9.395 -5.229 1.00 0.00 C ATOM 1170 C ASP A 82 -10.063 8.826 -4.574 1.00 0.00 C ATOM 1171 O ASP A 82 -9.927 8.856 -3.352 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.365 8.277 -5.299 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.792 8.740 -5.599 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.990 9.974 -5.644 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.652 7.851 -5.776 1.00 0.00 O ATOM 0 H ASP A 82 -11.686 9.675 -7.274 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.725 10.227 -4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.061 7.565 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.365 7.741 -4.350 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.173 8.322 -5.416 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.928 7.747 -4.934 1.00 0.00 C ATOM 1182 C ALA A 83 -6.933 8.871 -4.638 1.00 0.00 C ATOM 1183 O ALA A 83 -6.493 9.033 -3.501 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.393 6.750 -5.964 1.00 0.00 C ATOM 0 H ALA A 83 -9.289 8.300 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.092 7.199 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.459 6.319 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.124 5.956 -6.116 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.214 7.264 -6.908 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.608 9.620 -5.682 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.673 10.724 -5.549 1.00 0.00 C ATOM 1192 C LEU A 84 -5.986 11.500 -4.268 1.00 0.00 C ATOM 1193 O LEU A 84 -5.078 11.870 -3.525 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.684 11.590 -6.811 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.297 10.884 -8.112 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -6.137 11.397 -9.284 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -3.797 11.014 -8.382 1.00 0.00 C ATOM 0 H LEU A 84 -6.976 9.484 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.653 10.351 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.683 12.009 -6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.003 12.428 -6.659 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.513 9.821 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.842 10.879 -10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.192 11.210 -9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.976 12.468 -9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.549 10.503 -9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.532 12.068 -8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.239 10.563 -7.561 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.273 11.723 -4.049 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.717 12.448 -2.871 1.00 0.00 C ATOM 1211 C ALA A 85 -7.263 11.700 -1.616 1.00 0.00 C ATOM 1212 O ALA A 85 -6.594 12.271 -0.756 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.235 12.630 -2.924 1.00 0.00 C ATOM 0 H ALA A 85 -8.023 11.414 -4.668 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.271 13.442 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.567 13.174 -2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.503 13.193 -3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.718 11.653 -2.952 1.00 0.00 H new ATOM 1219 N ILE A 86 -7.645 10.433 -1.551 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.285 9.600 -0.415 1.00 0.00 C ATOM 1221 C ILE A 86 -5.807 9.810 -0.083 1.00 0.00 C ATOM 1222 O ILE A 86 -5.455 10.063 1.069 1.00 0.00 O ATOM 1223 CB ILE A 86 -7.654 8.140 -0.683 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -8.964 7.768 0.014 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -6.509 7.204 -0.290 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -9.914 7.052 -0.948 1.00 0.00 C ATOM 0 H ILE A 86 -8.200 9.963 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.855 9.891 0.467 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.815 8.020 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.755 7.126 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.443 8.668 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.797 6.172 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.621 7.452 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.292 7.320 0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.837 6.799 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.140 7.706 -1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.442 6.140 -1.314 1.00 0.00 H new ATOM 1238 N LEU A 87 -4.980 9.697 -1.112 1.00 0.00 N ATOM 1239 CA LEU A 87 -3.547 9.871 -0.943 1.00 0.00 C ATOM 1240 C LEU A 87 -3.273 11.248 -0.334 1.00 0.00 C ATOM 1241 O LEU A 87 -2.322 11.415 0.428 1.00 0.00 O ATOM 1242 CB LEU A 87 -2.818 9.628 -2.266 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.391 10.171 -2.355 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.393 11.680 -2.608 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -0.584 9.800 -1.109 1.00 0.00 C ATOM 0 H LEU A 87 -5.275 9.487 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.153 9.130 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.789 8.554 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.406 10.073 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.900 9.702 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.366 12.040 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.906 11.891 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.908 12.185 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.427 10.198 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.064 10.222 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.539 8.715 -1.014 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.124 12.198 -0.692 1.00 0.00 N ATOM 1258 CA ARG A 88 -3.985 13.554 -0.190 1.00 0.00 C ATOM 1259 C ARG A 88 -4.417 13.624 1.276 1.00 0.00 C ATOM 1260 O ARG A 88 -3.941 14.475 2.027 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.828 14.534 -1.010 1.00 0.00 C ATOM 1262 CG ARG A 88 -6.041 15.016 -0.211 1.00 0.00 C ATOM 1263 CD ARG A 88 -7.066 15.690 -1.125 1.00 0.00 C ATOM 1264 NE ARG A 88 -7.809 16.726 -0.373 1.00 0.00 N ATOM 1265 CZ ARG A 88 -7.245 17.819 0.157 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -5.928 18.026 0.022 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -7.998 18.706 0.823 1.00 0.00 N ATOM 0 H ARG A 88 -4.912 12.055 -1.324 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.935 13.834 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.217 15.388 -1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.162 14.052 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.504 14.171 0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.719 15.717 0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.562 16.140 -1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.759 14.947 -1.518 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.814 16.600 -0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.355 17.351 -0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.499 18.858 0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.000 18.548 0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.568 19.538 1.227 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.314 12.720 1.640 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.815 12.668 3.003 1.00 0.00 C ATOM 1283 C GLN A 89 -4.875 11.842 3.883 1.00 0.00 C ATOM 1284 O GLN A 89 -4.793 12.065 5.090 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.238 12.107 3.043 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.224 13.065 2.372 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.433 13.327 3.273 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.352 13.293 4.490 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.555 13.589 2.609 1.00 0.00 N ATOM 0 H GLN A 89 -5.707 12.017 1.014 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.849 13.684 3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.266 11.140 2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.537 11.937 4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.724 14.007 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.557 12.644 1.423 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.553 13.602 1.589 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.418 13.777 3.120 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.188 10.905 3.245 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.257 10.045 3.955 1.00 0.00 C ATOM 1300 C ALA A 90 -1.984 10.831 4.273 1.00 0.00 C ATOM 1301 O ALA A 90 -1.114 10.346 4.994 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.977 8.795 3.118 1.00 0.00 C ATOM 0 H ALA A 90 -4.258 10.723 2.244 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.685 9.715 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.278 8.150 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.909 8.257 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.544 9.087 2.161 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.915 12.033 3.718 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.762 12.891 3.934 1.00 0.00 C ATOM 1310 C ARG A 91 -1.057 13.909 5.038 1.00 0.00 C ATOM 1311 O ARG A 91 -0.176 14.666 5.440 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.382 13.635 2.652 1.00 0.00 C ATOM 1313 CG ARG A 91 -1.087 14.991 2.576 1.00 0.00 C ATOM 1314 CD ARG A 91 -1.268 15.435 1.123 1.00 0.00 C ATOM 1315 NE ARG A 91 -0.869 16.852 0.973 1.00 0.00 N ATOM 1316 CZ ARG A 91 -1.582 17.886 1.438 1.00 0.00 C ATOM 1317 NH1 ARG A 91 -2.735 17.668 2.085 1.00 0.00 N ATOM 1318 NH2 ARG A 91 -1.143 19.139 1.256 1.00 0.00 N ATOM 0 H ARG A 91 -2.638 12.432 3.120 1.00 0.00 H new ATOM 0 HA ARG A 91 0.072 12.257 4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.698 13.780 2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.650 13.032 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.059 14.927 3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.507 15.737 3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.667 14.808 0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.308 15.308 0.822 1.00 0.00 H new ATOM 0 HE ARG A 91 0.004 17.054 0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.070 16.714 2.223 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.278 18.456 2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.266 19.305 0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.686 19.926 1.610 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.300 13.893 5.496 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.722 14.805 6.546 1.00 0.00 C ATOM 1334 C GLU A 92 -2.094 14.404 7.882 1.00 0.00 C ATOM 1335 O GLU A 92 -1.622 15.257 8.631 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.248 14.853 6.650 1.00 0.00 C ATOM 1337 CG GLU A 92 -4.882 15.120 5.283 1.00 0.00 C ATOM 1338 CD GLU A 92 -6.396 14.901 5.330 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.807 13.910 5.971 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -7.108 15.730 4.722 1.00 0.00 O ATOM 0 H GLU A 92 -3.028 13.263 5.160 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.376 15.807 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.619 13.909 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.544 15.633 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.668 16.143 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.438 14.461 4.537 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.108 13.070 8.146 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.546 12.545 9.379 1.00 0.00 C ATOM 1349 C PRO A 93 -0.016 12.554 9.331 1.00 0.00 C ATOM 1350 O PRO A 93 0.575 12.986 8.342 1.00 0.00 O ATOM 1351 CB PRO A 93 -2.127 11.147 9.513 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.621 10.766 8.126 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.658 12.029 7.282 1.00 0.00 C ATOM 0 HA PRO A 93 -1.799 13.152 10.248 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.373 10.443 9.866 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.942 11.131 10.236 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.961 10.025 7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.612 10.316 8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.067 11.915 6.374 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.675 12.268 6.972 1.00 0.00 H new ATOM 1361 N ARG A 94 0.581 12.073 10.411 1.00 0.00 N ATOM 1362 CA ARG A 94 2.030 12.020 10.505 1.00 0.00 C ATOM 1363 C ARG A 94 2.533 10.617 10.162 1.00 0.00 C ATOM 1364 O ARG A 94 3.737 10.400 10.029 1.00 0.00 O ATOM 1365 CB ARG A 94 2.505 12.395 11.910 1.00 0.00 C ATOM 1366 CG ARG A 94 2.866 13.880 11.989 1.00 0.00 C ATOM 1367 CD ARG A 94 1.980 14.608 13.002 1.00 0.00 C ATOM 1368 NE ARG A 94 2.197 14.051 14.356 1.00 0.00 N ATOM 1369 CZ ARG A 94 3.229 14.378 15.146 1.00 0.00 C ATOM 1370 NH1 ARG A 94 4.144 15.260 14.722 1.00 0.00 N ATOM 1371 NH2 ARG A 94 3.346 13.822 16.360 1.00 0.00 N ATOM 0 H ARG A 94 0.087 11.716 11.229 1.00 0.00 H new ATOM 0 HA ARG A 94 2.435 12.739 9.793 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.723 12.168 12.635 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.372 11.792 12.178 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.913 13.989 12.272 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.753 14.338 11.006 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.208 15.674 12.997 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.932 14.505 12.721 1.00 0.00 H new ATOM 0 HE ARG A 94 1.519 13.376 14.710 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.055 15.683 13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.929 15.509 15.323 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.650 13.150 16.682 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.131 14.071 16.961 1.00 0.00 H new ATOM 1385 N GLN A 95 1.587 9.699 10.028 1.00 0.00 N ATOM 1386 CA GLN A 95 1.919 8.323 9.703 1.00 0.00 C ATOM 1387 C GLN A 95 1.057 7.829 8.539 1.00 0.00 C ATOM 1388 O GLN A 95 -0.100 8.224 8.408 1.00 0.00 O ATOM 1389 CB GLN A 95 1.760 7.417 10.926 1.00 0.00 C ATOM 1390 CG GLN A 95 2.345 6.028 10.659 1.00 0.00 C ATOM 1391 CD GLN A 95 1.324 4.933 10.977 1.00 0.00 C ATOM 1392 OE1 GLN A 95 0.153 5.025 10.647 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.832 3.895 11.634 1.00 0.00 N ATOM 0 H GLN A 95 0.590 9.882 10.139 1.00 0.00 H new ATOM 0 HA GLN A 95 2.964 8.285 9.397 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.259 7.867 11.784 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.704 7.328 11.182 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.651 5.953 9.616 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.239 5.883 11.265 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.822 3.882 11.880 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.232 3.112 11.892 1.00 0.00 H new ATOM 1402 N ALA A 96 1.655 6.973 7.724 1.00 0.00 N ATOM 1403 CA ALA A 96 0.957 6.421 6.575 1.00 0.00 C ATOM 1404 C ALA A 96 1.258 4.925 6.471 1.00 0.00 C ATOM 1405 O ALA A 96 2.407 4.508 6.606 1.00 0.00 O ATOM 1406 CB ALA A 96 1.364 7.187 5.314 1.00 0.00 C ATOM 0 H ALA A 96 2.615 6.648 7.836 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.121 6.533 6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.841 6.773 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.102 8.239 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.440 7.095 5.164 1.00 0.00 H new ATOM 1412 N VAL A 97 0.204 4.157 6.233 1.00 0.00 N ATOM 1413 CA VAL A 97 0.341 2.716 6.109 1.00 0.00 C ATOM 1414 C VAL A 97 -0.026 2.293 4.685 1.00 0.00 C ATOM 1415 O VAL A 97 -1.166 2.466 4.257 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.503 2.017 7.177 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.022 0.670 6.670 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.287 1.847 8.476 1.00 0.00 C ATOM 0 H VAL A 97 -0.748 4.506 6.123 1.00 0.00 H new ATOM 0 HA VAL A 97 1.374 2.414 6.281 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.365 2.649 7.390 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.619 0.194 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.639 0.827 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.179 0.028 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.336 1.348 9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.176 1.246 8.285 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.585 2.826 8.852 1.00 0.00 H new ATOM 1428 N ILE A 98 0.961 1.748 3.991 1.00 0.00 N ATOM 1429 CA ILE A 98 0.756 1.299 2.624 1.00 0.00 C ATOM 1430 C ILE A 98 1.163 -0.171 2.508 1.00 0.00 C ATOM 1431 O ILE A 98 2.300 -0.530 2.812 1.00 0.00 O ATOM 1432 CB ILE A 98 1.486 2.218 1.643 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.262 3.689 2.000 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.083 1.911 0.200 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.400 4.221 2.873 1.00 0.00 C ATOM 0 H ILE A 98 1.906 1.607 4.349 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.299 1.360 2.357 1.00 0.00 H new ATOM 0 HB ILE A 98 2.556 2.025 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.191 4.282 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.314 3.799 2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.616 2.579 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.336 0.877 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.009 2.058 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.216 5.268 3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.452 3.642 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.344 4.132 2.335 1.00 0.00 H new ATOM 1447 N VAL A 99 0.213 -0.983 2.068 1.00 0.00 N ATOM 1448 CA VAL A 99 0.458 -2.406 1.908 1.00 0.00 C ATOM 1449 C VAL A 99 0.729 -2.710 0.434 1.00 0.00 C ATOM 1450 O VAL A 99 -0.159 -2.569 -0.406 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.715 -3.206 2.478 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.311 -4.659 2.740 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.260 -2.551 3.749 1.00 0.00 C ATOM 0 H VAL A 99 -0.729 -0.682 1.817 1.00 0.00 H new ATOM 0 HA VAL A 99 1.343 -2.707 2.469 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.512 -3.208 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.162 -5.206 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.007 -5.122 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.510 -4.685 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.093 -3.140 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.472 -2.503 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.604 -1.542 3.520 1.00 0.00 H new ATOM 1463 N THR A 100 1.959 -3.121 0.163 1.00 0.00 N ATOM 1464 CA THR A 100 2.358 -3.446 -1.196 1.00 0.00 C ATOM 1465 C THR A 100 3.192 -4.728 -1.214 1.00 0.00 C ATOM 1466 O THR A 100 3.656 -5.187 -0.171 1.00 0.00 O ATOM 1467 CB THR A 100 3.091 -2.235 -1.776 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.129 -1.975 -0.835 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.238 -0.966 -1.750 1.00 0.00 C ATOM 0 H THR A 100 2.693 -3.236 0.862 1.00 0.00 H new ATOM 0 HA THR A 100 1.492 -3.651 -1.825 1.00 0.00 H new ATOM 0 HB THR A 100 3.391 -2.449 -2.802 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.656 -1.205 -1.134 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.806 -0.137 -2.173 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.334 -1.123 -2.338 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.966 -0.732 -0.721 1.00 0.00 H new ATOM 1477 N ARG A 101 3.358 -5.271 -2.411 1.00 0.00 N ATOM 1478 CA ARG A 101 4.129 -6.491 -2.580 1.00 0.00 C ATOM 1479 C ARG A 101 5.183 -6.307 -3.673 1.00 0.00 C ATOM 1480 O ARG A 101 5.017 -5.478 -4.567 1.00 0.00 O ATOM 1481 CB ARG A 101 3.223 -7.668 -2.947 1.00 0.00 C ATOM 1482 CG ARG A 101 2.561 -7.447 -4.309 1.00 0.00 C ATOM 1483 CD ARG A 101 1.039 -7.382 -4.174 1.00 0.00 C ATOM 1484 NE ARG A 101 0.412 -7.379 -5.515 1.00 0.00 N ATOM 1485 CZ ARG A 101 0.218 -8.479 -6.256 1.00 0.00 C ATOM 1486 NH1 ARG A 101 0.601 -9.676 -5.791 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -0.359 -8.381 -7.461 1.00 0.00 N ATOM 0 H ARG A 101 2.971 -4.888 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 101 4.620 -6.707 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.807 -8.588 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.457 -7.794 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.930 -6.522 -4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.835 -8.256 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.680 -8.235 -3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.752 -6.484 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 101 0.109 -6.484 -5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.040 -9.750 -4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.453 -10.513 -6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.650 -7.470 -7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.507 -9.218 -8.025 1.00 0.00 H new