USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 THR OG1 : rot 170:sc= -1.06 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.106 F(o=-2.6,f=-0.11) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.865 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 130:sc= -1.14 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= -1.89! (180deg=-2.62) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.45 USER MOD Single : A 78 ASN : amide:sc= -2.85! C(o=-2.9!,f=-5.2!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -160:sc= -2.07 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0393 USER MOD Single : A 92 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.14) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= 1.17 (180deg=0.926) USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 18 -10.781 -1.023 6.717 1.00 0.00 N ATOM 213 CA GLU A 18 -11.678 -1.763 5.846 1.00 0.00 C ATOM 214 C GLU A 18 -11.727 -1.115 4.461 1.00 0.00 C ATOM 215 O GLU A 18 -12.139 0.035 4.324 1.00 0.00 O ATOM 216 CB GLU A 18 -13.078 -1.860 6.455 1.00 0.00 C ATOM 217 CG GLU A 18 -13.069 -2.733 7.712 1.00 0.00 C ATOM 218 CD GLU A 18 -14.346 -2.528 8.530 1.00 0.00 C ATOM 219 OE1 GLU A 18 -14.334 -1.614 9.382 1.00 0.00 O ATOM 220 OE2 GLU A 18 -15.305 -3.291 8.285 1.00 0.00 O ATOM 0 HA GLU A 18 -11.293 -2.777 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.441 -0.862 6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.769 -2.277 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.978 -3.782 7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.199 -2.490 8.322 1.00 0.00 H new ATOM 227 N LEU A 19 -11.300 -1.883 3.468 1.00 0.00 N ATOM 228 CA LEU A 19 -11.290 -1.398 2.099 1.00 0.00 C ATOM 229 C LEU A 19 -12.704 -0.968 1.704 1.00 0.00 C ATOM 230 O LEU A 19 -13.625 -1.030 2.517 1.00 0.00 O ATOM 231 CB LEU A 19 -10.682 -2.446 1.164 1.00 0.00 C ATOM 232 CG LEU A 19 -9.154 -2.478 1.097 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.598 -1.139 0.610 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.554 -2.893 2.442 1.00 0.00 C ATOM 0 H LEU A 19 -10.959 -2.837 3.585 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.653 -0.518 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.033 -3.430 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.067 -2.274 0.159 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.860 -3.233 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.510 -1.189 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.987 -0.924 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.901 -0.348 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.467 -2.908 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.855 -2.180 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.912 -3.887 2.709 1.00 0.00 H new ATOM 246 N THR A 20 -12.832 -0.543 0.456 1.00 0.00 N ATOM 247 CA THR A 20 -14.119 -0.103 -0.057 1.00 0.00 C ATOM 248 C THR A 20 -14.226 -0.401 -1.554 1.00 0.00 C ATOM 249 O THR A 20 -13.220 -0.654 -2.214 1.00 0.00 O ATOM 250 CB THR A 20 -14.280 1.381 0.281 1.00 0.00 C ATOM 251 OG1 THR A 20 -13.219 2.015 -0.428 1.00 0.00 O ATOM 252 CG2 THR A 20 -13.980 1.683 1.750 1.00 0.00 C ATOM 0 H THR A 20 -12.066 -0.494 -0.216 1.00 0.00 H new ATOM 0 HA THR A 20 -14.939 -0.648 0.410 1.00 0.00 H new ATOM 0 HB THR A 20 -15.296 1.699 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.341 2.987 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.109 2.749 1.936 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.663 1.119 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.953 1.397 1.978 1.00 0.00 H new ATOM 260 N GLU A 21 -15.456 -0.360 -2.046 1.00 0.00 N ATOM 261 CA GLU A 21 -15.708 -0.622 -3.452 1.00 0.00 C ATOM 262 C GLU A 21 -14.741 0.181 -4.324 1.00 0.00 C ATOM 263 O GLU A 21 -14.494 -0.176 -5.475 1.00 0.00 O ATOM 264 CB GLU A 21 -17.162 -0.311 -3.816 1.00 0.00 C ATOM 265 CG GLU A 21 -17.626 -1.167 -4.996 1.00 0.00 C ATOM 266 CD GLU A 21 -18.592 -0.387 -5.892 1.00 0.00 C ATOM 267 OE1 GLU A 21 -18.090 0.445 -6.678 1.00 0.00 O ATOM 268 OE2 GLU A 21 -19.809 -0.641 -5.770 1.00 0.00 O ATOM 0 H GLU A 21 -16.288 -0.149 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.540 -1.683 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.804 -0.495 -2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.260 0.745 -4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.763 -1.488 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.115 -2.069 -4.626 1.00 0.00 H new ATOM 275 N ALA A 22 -14.220 1.252 -3.742 1.00 0.00 N ATOM 276 CA ALA A 22 -13.286 2.109 -4.451 1.00 0.00 C ATOM 277 C ALA A 22 -11.862 1.589 -4.240 1.00 0.00 C ATOM 278 O ALA A 22 -11.204 1.167 -5.189 1.00 0.00 O ATOM 279 CB ALA A 22 -13.456 3.553 -3.976 1.00 0.00 C ATOM 0 H ALA A 22 -14.427 1.545 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.487 2.093 -5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.755 4.196 -4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.475 3.884 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.259 3.609 -2.905 1.00 0.00 H new ATOM 285 N GLU A 23 -11.429 1.638 -2.989 1.00 0.00 N ATOM 286 CA GLU A 23 -10.095 1.177 -2.640 1.00 0.00 C ATOM 287 C GLU A 23 -9.877 -0.249 -3.149 1.00 0.00 C ATOM 288 O GLU A 23 -8.840 -0.550 -3.739 1.00 0.00 O ATOM 289 CB GLU A 23 -9.863 1.262 -1.131 1.00 0.00 C ATOM 290 CG GLU A 23 -10.159 2.670 -0.609 1.00 0.00 C ATOM 291 CD GLU A 23 -9.355 3.720 -1.379 1.00 0.00 C ATOM 292 OE1 GLU A 23 -9.720 3.970 -2.548 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.393 4.249 -0.781 1.00 0.00 O ATOM 0 H GLU A 23 -11.978 1.990 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.368 1.830 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.500 0.540 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.831 0.995 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.224 2.881 -0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.916 2.727 0.452 1.00 0.00 H new ATOM 300 N LEU A 24 -10.871 -1.090 -2.902 1.00 0.00 N ATOM 301 CA LEU A 24 -10.800 -2.478 -3.328 1.00 0.00 C ATOM 302 C LEU A 24 -10.228 -2.543 -4.746 1.00 0.00 C ATOM 303 O LEU A 24 -9.406 -3.407 -5.048 1.00 0.00 O ATOM 304 CB LEU A 24 -12.165 -3.152 -3.184 1.00 0.00 C ATOM 305 CG LEU A 24 -12.488 -3.725 -1.802 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.847 -4.427 -1.804 1.00 0.00 C ATOM 307 CD2 LEU A 24 -11.368 -4.645 -1.314 1.00 0.00 C ATOM 0 H LEU A 24 -11.729 -0.837 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.123 -3.040 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.936 -2.426 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.228 -3.959 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.554 -2.897 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.052 -4.825 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.625 -3.714 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.834 -5.243 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.623 -5.038 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.245 -5.471 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.437 -4.082 -1.249 1.00 0.00 H new ATOM 319 N VAL A 25 -10.686 -1.619 -5.577 1.00 0.00 N ATOM 320 CA VAL A 25 -10.230 -1.561 -6.956 1.00 0.00 C ATOM 321 C VAL A 25 -8.766 -1.117 -6.986 1.00 0.00 C ATOM 322 O VAL A 25 -7.952 -1.699 -7.701 1.00 0.00 O ATOM 323 CB VAL A 25 -11.149 -0.649 -7.773 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.568 -0.392 -9.165 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.559 -1.234 -7.866 1.00 0.00 C ATOM 0 H VAL A 25 -11.368 -0.904 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.280 -2.547 -7.417 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.218 0.309 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.240 0.258 -9.725 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.594 0.088 -9.070 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.456 -1.339 -9.693 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.192 -0.567 -8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.517 -2.210 -8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.975 -1.342 -6.864 1.00 0.00 H new ATOM 335 N THR A 26 -8.476 -0.090 -6.202 1.00 0.00 N ATOM 336 CA THR A 26 -7.125 0.439 -6.130 1.00 0.00 C ATOM 337 C THR A 26 -6.166 -0.621 -5.584 1.00 0.00 C ATOM 338 O THR A 26 -5.102 -0.854 -6.155 1.00 0.00 O ATOM 339 CB THR A 26 -7.161 1.717 -5.289 1.00 0.00 C ATOM 340 OG1 THR A 26 -7.789 2.674 -6.138 1.00 0.00 O ATOM 341 CG2 THR A 26 -5.766 2.295 -5.042 1.00 0.00 C ATOM 0 H THR A 26 -9.154 0.390 -5.611 1.00 0.00 H new ATOM 0 HA THR A 26 -6.747 0.695 -7.120 1.00 0.00 H new ATOM 0 HB THR A 26 -7.642 1.509 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.855 3.533 -5.670 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.849 3.200 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.157 1.562 -4.513 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.297 2.535 -5.996 1.00 0.00 H new ATOM 349 N ALA A 27 -6.577 -1.235 -4.484 1.00 0.00 N ATOM 350 CA ALA A 27 -5.768 -2.264 -3.854 1.00 0.00 C ATOM 351 C ALA A 27 -5.411 -3.331 -4.891 1.00 0.00 C ATOM 352 O ALA A 27 -4.326 -3.908 -4.845 1.00 0.00 O ATOM 353 CB ALA A 27 -6.521 -2.844 -2.656 1.00 0.00 C ATOM 0 H ALA A 27 -7.460 -1.039 -4.013 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.835 -1.843 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.914 -3.616 -2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.725 -2.051 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.462 -3.278 -2.993 1.00 0.00 H new ATOM 359 N GLU A 28 -6.346 -3.562 -5.802 1.00 0.00 N ATOM 360 CA GLU A 28 -6.144 -4.549 -6.848 1.00 0.00 C ATOM 361 C GLU A 28 -5.225 -3.990 -7.936 1.00 0.00 C ATOM 362 O GLU A 28 -4.375 -4.705 -8.464 1.00 0.00 O ATOM 363 CB GLU A 28 -7.480 -5.003 -7.439 1.00 0.00 C ATOM 364 CG GLU A 28 -8.057 -6.180 -6.650 1.00 0.00 C ATOM 365 CD GLU A 28 -7.791 -7.505 -7.368 1.00 0.00 C ATOM 366 OE1 GLU A 28 -6.649 -7.998 -7.244 1.00 0.00 O ATOM 367 OE2 GLU A 28 -8.735 -7.994 -8.025 1.00 0.00 O ATOM 0 H GLU A 28 -7.245 -3.082 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.663 -5.423 -6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.187 -4.173 -7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.341 -5.292 -8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.614 -6.207 -5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.130 -6.043 -6.518 1.00 0.00 H new ATOM 374 N ALA A 29 -5.426 -2.716 -8.238 1.00 0.00 N ATOM 375 CA ALA A 29 -4.626 -2.052 -9.254 1.00 0.00 C ATOM 376 C ALA A 29 -3.177 -1.957 -8.773 1.00 0.00 C ATOM 377 O ALA A 29 -2.247 -2.194 -9.543 1.00 0.00 O ATOM 378 CB ALA A 29 -5.229 -0.680 -9.563 1.00 0.00 C ATOM 0 H ALA A 29 -6.131 -2.125 -7.797 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.629 -2.625 -10.181 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.629 -0.182 -10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.249 -0.804 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.240 -0.075 -8.657 1.00 0.00 H new ATOM 384 N VAL A 30 -3.029 -1.610 -7.503 1.00 0.00 N ATOM 385 CA VAL A 30 -1.709 -1.480 -6.911 1.00 0.00 C ATOM 386 C VAL A 30 -1.041 -2.856 -6.858 1.00 0.00 C ATOM 387 O VAL A 30 0.155 -2.980 -7.116 1.00 0.00 O ATOM 388 CB VAL A 30 -1.814 -0.814 -5.538 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.493 -0.920 -4.774 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.256 0.645 -5.669 1.00 0.00 C ATOM 0 H VAL A 30 -3.802 -1.415 -6.867 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.078 -0.835 -7.523 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.575 -1.345 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.595 -0.439 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.237 -1.970 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.296 -0.427 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.323 1.095 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.529 1.193 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.232 0.688 -6.153 1.00 0.00 H new ATOM 400 N ARG A 31 -1.844 -3.855 -6.522 1.00 0.00 N ATOM 401 CA ARG A 31 -1.346 -5.217 -6.432 1.00 0.00 C ATOM 402 C ARG A 31 -0.668 -5.622 -7.742 1.00 0.00 C ATOM 403 O ARG A 31 0.336 -6.333 -7.732 1.00 0.00 O ATOM 404 CB ARG A 31 -2.479 -6.199 -6.128 1.00 0.00 C ATOM 405 CG ARG A 31 -1.974 -7.643 -6.152 1.00 0.00 C ATOM 406 CD ARG A 31 -2.846 -8.543 -5.274 1.00 0.00 C ATOM 407 NE ARG A 31 -3.670 -9.433 -6.121 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.147 -10.620 -5.722 1.00 0.00 C ATOM 409 NH1 ARG A 31 -3.886 -11.066 -4.486 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.887 -11.361 -6.560 1.00 0.00 N ATOM 0 H ARG A 31 -2.836 -3.748 -6.309 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.622 -5.252 -5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.906 -5.976 -5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.277 -6.077 -6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.976 -8.016 -7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.942 -7.677 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.217 -9.138 -4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.489 -7.933 -4.640 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.889 -9.124 -7.068 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.324 -10.502 -3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.249 -11.970 -4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.087 -11.021 -7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.250 -12.265 -6.257 1.00 0.00 H new ATOM 424 N SER A 32 -1.243 -5.151 -8.839 1.00 0.00 N ATOM 425 CA SER A 32 -0.706 -5.455 -10.155 1.00 0.00 C ATOM 426 C SER A 32 0.673 -4.813 -10.319 1.00 0.00 C ATOM 427 O SER A 32 1.522 -5.334 -11.041 1.00 0.00 O ATOM 428 CB SER A 32 -1.650 -4.975 -11.259 1.00 0.00 C ATOM 429 OG SER A 32 -1.516 -5.747 -12.449 1.00 0.00 O ATOM 0 H SER A 32 -2.075 -4.561 -8.844 1.00 0.00 H new ATOM 0 HA SER A 32 -0.608 -6.537 -10.243 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.679 -5.030 -10.905 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.445 -3.928 -11.481 1.00 0.00 H new ATOM 0 HG SER A 32 -2.136 -5.410 -13.129 1.00 0.00 H new ATOM 435 N VAL A 33 0.853 -3.692 -9.637 1.00 0.00 N ATOM 436 CA VAL A 33 2.114 -2.973 -9.698 1.00 0.00 C ATOM 437 C VAL A 33 3.225 -3.850 -9.116 1.00 0.00 C ATOM 438 O VAL A 33 4.299 -3.969 -9.703 1.00 0.00 O ATOM 439 CB VAL A 33 1.983 -1.624 -8.988 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.275 -0.813 -9.109 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.788 -0.836 -9.525 1.00 0.00 C ATOM 0 H VAL A 33 0.146 -3.264 -9.039 1.00 0.00 H new ATOM 0 HA VAL A 33 2.380 -2.756 -10.733 1.00 0.00 H new ATOM 0 HB VAL A 33 1.808 -1.818 -7.930 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.155 0.141 -8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.097 -1.368 -8.656 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.495 -0.634 -10.161 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.718 0.119 -9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.920 -0.658 -10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.127 -1.406 -9.363 1.00 0.00 H new ATOM 451 N TRP A 34 2.927 -4.442 -7.968 1.00 0.00 N ATOM 452 CA TRP A 34 3.886 -5.305 -7.300 1.00 0.00 C ATOM 453 C TRP A 34 4.183 -6.487 -8.224 1.00 0.00 C ATOM 454 O TRP A 34 5.337 -6.737 -8.568 1.00 0.00 O ATOM 455 CB TRP A 34 3.372 -5.735 -5.925 1.00 0.00 C ATOM 456 CG TRP A 34 3.415 -4.628 -4.870 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.173 -3.320 -5.036 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.730 -4.786 -3.470 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.309 -2.627 -3.851 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.658 -3.546 -2.868 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.065 -5.938 -2.737 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.908 -3.340 -1.506 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.312 -5.715 -1.378 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.243 -4.473 -0.756 1.00 0.00 C ATOM 0 H TRP A 34 2.035 -4.341 -7.484 1.00 0.00 H new ATOM 0 HA TRP A 34 4.817 -4.771 -7.108 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.345 -6.087 -6.026 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.965 -6.580 -5.575 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.905 -2.866 -5.979 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.178 -1.624 -3.720 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.127 -6.918 -3.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.846 -2.359 -1.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.575 -6.567 -0.769 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.447 -4.383 0.301 1.00 0.00 H new ATOM 475 N GLN A 35 3.120 -7.184 -8.601 1.00 0.00 N ATOM 476 CA GLN A 35 3.252 -8.334 -9.479 1.00 0.00 C ATOM 477 C GLN A 35 4.030 -7.953 -10.740 1.00 0.00 C ATOM 478 O GLN A 35 5.079 -8.529 -11.025 1.00 0.00 O ATOM 479 CB GLN A 35 1.881 -8.913 -9.834 1.00 0.00 C ATOM 480 CG GLN A 35 1.349 -9.796 -8.704 1.00 0.00 C ATOM 481 CD GLN A 35 1.604 -11.275 -8.997 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.875 -11.643 -8.859 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 0.706 -12.033 -9.327 1.00 0.00 N flip ATOM 0 H GLN A 35 2.164 -6.974 -8.314 1.00 0.00 H new ATOM 0 HA GLN A 35 3.811 -9.107 -8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.179 -8.102 -10.028 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.955 -9.496 -10.752 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.829 -9.520 -7.765 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.280 -9.626 -8.577 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.249 -11.685 -9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.910 -13.014 -9.515 1.00 0.00 H new ATOM 492 N ARG A 36 3.486 -6.984 -11.462 1.00 0.00 N ATOM 493 CA ARG A 36 4.115 -6.519 -12.686 1.00 0.00 C ATOM 494 C ARG A 36 5.599 -6.233 -12.445 1.00 0.00 C ATOM 495 O ARG A 36 6.445 -6.596 -13.260 1.00 0.00 O ATOM 496 CB ARG A 36 3.437 -5.250 -13.207 1.00 0.00 C ATOM 497 CG ARG A 36 2.168 -5.590 -13.991 1.00 0.00 C ATOM 498 CD ARG A 36 1.546 -4.331 -14.599 1.00 0.00 C ATOM 499 NE ARG A 36 0.930 -4.651 -15.907 1.00 0.00 N ATOM 500 CZ ARG A 36 0.073 -3.848 -16.550 1.00 0.00 C ATOM 501 NH1 ARG A 36 -0.276 -2.672 -16.012 1.00 0.00 N ATOM 502 NH2 ARG A 36 -0.436 -4.221 -17.733 1.00 0.00 N ATOM 0 H ARG A 36 2.616 -6.508 -11.222 1.00 0.00 H new ATOM 0 HA ARG A 36 4.009 -7.306 -13.432 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.188 -4.597 -12.371 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.128 -4.700 -13.846 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.405 -6.302 -14.782 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.448 -6.074 -13.332 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.794 -3.924 -13.923 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.309 -3.563 -14.725 1.00 0.00 H new ATOM 0 HE ARG A 36 1.174 -5.539 -16.346 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.111 -2.388 -15.112 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.929 -2.061 -16.502 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.170 -5.116 -18.143 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.089 -3.609 -18.223 1.00 0.00 H new ATOM 516 N ILE A 37 5.869 -5.585 -11.321 1.00 0.00 N ATOM 517 CA ILE A 37 7.235 -5.247 -10.962 1.00 0.00 C ATOM 518 C ILE A 37 7.995 -6.525 -10.603 1.00 0.00 C ATOM 519 O ILE A 37 8.862 -6.968 -11.356 1.00 0.00 O ATOM 520 CB ILE A 37 7.252 -4.190 -9.855 1.00 0.00 C ATOM 521 CG1 ILE A 37 6.888 -2.811 -10.409 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.599 -4.179 -9.128 1.00 0.00 C ATOM 523 CD1 ILE A 37 6.999 -1.738 -9.323 1.00 0.00 C ATOM 0 H ILE A 37 5.164 -5.285 -10.647 1.00 0.00 H new ATOM 0 HA ILE A 37 7.751 -4.796 -11.810 1.00 0.00 H new ATOM 0 HB ILE A 37 6.492 -4.453 -9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.549 -2.563 -11.240 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.872 -2.830 -10.804 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.584 -3.419 -8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.779 -5.156 -8.680 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.394 -3.953 -9.839 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.735 -0.767 -9.742 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.319 -1.977 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.022 -1.705 -8.947 1.00 0.00 H new ATOM 535 N LEU A 38 7.643 -7.082 -9.454 1.00 0.00 N ATOM 536 CA LEU A 38 8.282 -8.301 -8.986 1.00 0.00 C ATOM 537 C LEU A 38 8.024 -9.425 -9.992 1.00 0.00 C ATOM 538 O LEU A 38 6.894 -9.891 -10.132 1.00 0.00 O ATOM 539 CB LEU A 38 7.826 -8.632 -7.564 1.00 0.00 C ATOM 540 CG LEU A 38 8.041 -7.536 -6.518 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.102 -7.725 -5.325 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.508 -7.469 -6.088 1.00 0.00 C ATOM 0 H LEU A 38 6.924 -6.712 -8.833 1.00 0.00 H new ATOM 0 HA LEU A 38 9.362 -8.167 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.764 -8.877 -7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.351 -9.529 -7.235 1.00 0.00 H new ATOM 0 HG LEU A 38 7.795 -6.577 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.275 -6.933 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.068 -7.684 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.293 -8.693 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.634 -6.682 -5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.805 -8.425 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.132 -7.252 -6.955 1.00 0.00 H new ATOM 554 N PRO A 39 9.119 -9.838 -10.685 1.00 0.00 N ATOM 555 CA PRO A 39 9.022 -10.898 -11.674 1.00 0.00 C ATOM 556 C PRO A 39 8.890 -12.266 -11.000 1.00 0.00 C ATOM 557 O PRO A 39 7.823 -12.878 -11.036 1.00 0.00 O ATOM 558 CB PRO A 39 10.283 -10.769 -12.513 1.00 0.00 C ATOM 559 CG PRO A 39 11.255 -9.948 -11.682 1.00 0.00 C ATOM 560 CD PRO A 39 10.473 -9.309 -10.546 1.00 0.00 C ATOM 0 HA PRO A 39 8.133 -10.811 -12.299 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.699 -11.749 -12.745 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.071 -10.279 -13.463 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.050 -10.581 -11.289 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.730 -9.183 -12.296 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.901 -9.566 -9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.483 -8.222 -10.621 1.00 0.00 H new ATOM 568 N LYS A 40 9.987 -12.704 -10.402 1.00 0.00 N ATOM 569 CA LYS A 40 10.007 -13.988 -9.721 1.00 0.00 C ATOM 570 C LYS A 40 8.683 -14.188 -8.981 1.00 0.00 C ATOM 571 O LYS A 40 8.107 -15.275 -9.014 1.00 0.00 O ATOM 572 CB LYS A 40 11.238 -14.097 -8.819 1.00 0.00 C ATOM 573 CG LYS A 40 12.496 -14.384 -9.642 1.00 0.00 C ATOM 574 CD LYS A 40 13.580 -15.032 -8.778 1.00 0.00 C ATOM 575 CE LYS A 40 14.943 -14.386 -9.032 1.00 0.00 C ATOM 576 NZ LYS A 40 15.813 -15.300 -9.806 1.00 0.00 N ATOM 0 H LYS A 40 10.869 -12.193 -10.374 1.00 0.00 H new ATOM 0 HA LYS A 40 10.096 -14.801 -10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.368 -13.170 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.088 -14.891 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.248 -15.042 -10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.874 -13.456 -10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.318 -14.933 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.633 -16.099 -8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.813 -13.450 -9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.418 -14.139 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.734 -14.846 -9.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.951 -16.182 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.365 -15.514 -10.720 1.00 0.00 H new ATOM 590 N VAL A 41 8.238 -13.123 -8.331 1.00 0.00 N ATOM 591 CA VAL A 41 6.992 -13.168 -7.584 1.00 0.00 C ATOM 592 C VAL A 41 5.867 -13.640 -8.506 1.00 0.00 C ATOM 593 O VAL A 41 5.494 -12.940 -9.447 1.00 0.00 O ATOM 594 CB VAL A 41 6.713 -11.804 -6.950 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.312 -11.762 -6.335 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.779 -11.454 -5.910 1.00 0.00 C ATOM 0 H VAL A 41 8.718 -12.223 -8.306 1.00 0.00 H new ATOM 0 HA VAL A 41 7.063 -13.884 -6.765 1.00 0.00 H new ATOM 0 HB VAL A 41 6.756 -11.053 -7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.139 -10.782 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.569 -11.946 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.230 -12.529 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.557 -10.480 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.783 -12.210 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.758 -11.423 -6.389 1.00 0.00 H new ATOM 606 N LEU A 42 5.356 -14.825 -8.205 1.00 0.00 N ATOM 607 CA LEU A 42 4.280 -15.399 -8.995 1.00 0.00 C ATOM 608 C LEU A 42 2.939 -14.862 -8.490 1.00 0.00 C ATOM 609 O LEU A 42 1.989 -14.730 -9.260 1.00 0.00 O ATOM 610 CB LEU A 42 4.371 -16.926 -8.995 1.00 0.00 C ATOM 611 CG LEU A 42 5.406 -17.537 -9.941 1.00 0.00 C ATOM 612 CD1 LEU A 42 6.459 -18.330 -9.164 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.730 -18.386 -11.020 1.00 0.00 C ATOM 0 H LEU A 42 5.667 -15.403 -7.425 1.00 0.00 H new ATOM 0 HA LEU A 42 4.371 -15.098 -10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.595 -17.257 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.391 -17.328 -9.252 1.00 0.00 H new ATOM 0 HG LEU A 42 5.925 -16.724 -10.449 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.183 -18.754 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.972 -17.668 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.974 -19.134 -8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.489 -18.808 -11.679 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.168 -19.193 -10.549 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.051 -17.762 -11.601 1.00 0.00 H new ATOM 625 N GLU A 43 2.905 -14.568 -7.198 1.00 0.00 N ATOM 626 CA GLU A 43 1.696 -14.049 -6.581 1.00 0.00 C ATOM 627 C GLU A 43 2.051 -13.069 -5.460 1.00 0.00 C ATOM 628 O GLU A 43 3.107 -13.186 -4.840 1.00 0.00 O ATOM 629 CB GLU A 43 0.817 -15.186 -6.057 1.00 0.00 C ATOM 630 CG GLU A 43 1.400 -15.784 -4.775 1.00 0.00 C ATOM 631 CD GLU A 43 0.839 -17.185 -4.519 1.00 0.00 C ATOM 632 OE1 GLU A 43 -0.392 -17.276 -4.321 1.00 0.00 O ATOM 633 OE2 GLU A 43 1.654 -18.132 -4.528 1.00 0.00 O ATOM 0 H GLU A 43 3.695 -14.679 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 43 1.126 -13.512 -7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.189 -14.813 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.729 -15.962 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.486 -15.832 -4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.169 -15.136 -3.929 1.00 0.00 H new ATOM 640 N VAL A 44 1.149 -12.125 -5.235 1.00 0.00 N ATOM 641 CA VAL A 44 1.354 -11.126 -4.201 1.00 0.00 C ATOM 642 C VAL A 44 0.283 -11.289 -3.121 1.00 0.00 C ATOM 643 O VAL A 44 -0.909 -11.312 -3.423 1.00 0.00 O ATOM 644 CB VAL A 44 1.370 -9.727 -4.820 1.00 0.00 C ATOM 645 CG1 VAL A 44 0.852 -8.683 -3.829 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.771 -9.364 -5.317 1.00 0.00 C ATOM 0 H VAL A 44 0.274 -12.031 -5.751 1.00 0.00 H new ATOM 0 HA VAL A 44 2.323 -11.266 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 44 0.700 -9.733 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.874 -7.697 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.172 -8.927 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.484 -8.679 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.755 -8.365 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.470 -9.384 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.087 -10.084 -6.072 1.00 0.00 H new ATOM 656 N GLU A 45 0.746 -11.399 -1.884 1.00 0.00 N ATOM 657 CA GLU A 45 -0.158 -11.560 -0.758 1.00 0.00 C ATOM 658 C GLU A 45 0.102 -10.476 0.290 1.00 0.00 C ATOM 659 O GLU A 45 0.880 -9.552 0.053 1.00 0.00 O ATOM 660 CB GLU A 45 -0.029 -12.956 -0.146 1.00 0.00 C ATOM 661 CG GLU A 45 1.419 -13.247 0.255 1.00 0.00 C ATOM 662 CD GLU A 45 1.928 -14.524 -0.417 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.606 -15.610 0.111 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.627 -14.385 -1.443 1.00 0.00 O ATOM 0 H GLU A 45 1.735 -11.380 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.180 -11.451 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.675 -13.035 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.369 -13.704 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.054 -12.406 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.487 -13.350 1.338 1.00 0.00 H new ATOM 671 N ASP A 46 -0.563 -10.624 1.426 1.00 0.00 N ATOM 672 CA ASP A 46 -0.413 -9.670 2.511 1.00 0.00 C ATOM 673 C ASP A 46 0.899 -9.944 3.249 1.00 0.00 C ATOM 674 O ASP A 46 1.425 -9.068 3.934 1.00 0.00 O ATOM 675 CB ASP A 46 -1.557 -9.797 3.519 1.00 0.00 C ATOM 676 CG ASP A 46 -1.762 -11.202 4.090 1.00 0.00 C ATOM 677 OD1 ASP A 46 -0.750 -11.791 4.525 1.00 0.00 O ATOM 678 OD2 ASP A 46 -2.928 -11.654 4.078 1.00 0.00 O ATOM 0 H ASP A 46 -1.207 -11.391 1.619 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.420 -8.668 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.372 -9.109 4.344 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.482 -9.478 3.039 1.00 0.00 H new ATOM 683 N SER A 47 1.390 -11.163 3.083 1.00 0.00 N ATOM 684 CA SER A 47 2.631 -11.563 3.725 1.00 0.00 C ATOM 685 C SER A 47 3.818 -11.242 2.814 1.00 0.00 C ATOM 686 O SER A 47 4.967 -11.277 3.252 1.00 0.00 O ATOM 687 CB SER A 47 2.616 -13.054 4.072 1.00 0.00 C ATOM 688 OG SER A 47 2.531 -13.274 5.477 1.00 0.00 O ATOM 0 H SER A 47 0.951 -11.887 2.514 1.00 0.00 H new ATOM 0 HA SER A 47 2.732 -11.002 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.770 -13.533 3.578 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.519 -13.525 3.685 1.00 0.00 H new ATOM 0 HG SER A 47 2.522 -14.237 5.657 1.00 0.00 H new ATOM 694 N THR A 48 3.499 -10.938 1.565 1.00 0.00 N ATOM 695 CA THR A 48 4.525 -10.611 0.589 1.00 0.00 C ATOM 696 C THR A 48 5.231 -9.309 0.973 1.00 0.00 C ATOM 697 O THR A 48 4.579 -8.295 1.222 1.00 0.00 O ATOM 698 CB THR A 48 3.867 -10.561 -0.791 1.00 0.00 C ATOM 699 OG1 THR A 48 3.877 -11.916 -1.229 1.00 0.00 O ATOM 700 CG2 THR A 48 4.726 -9.828 -1.823 1.00 0.00 C ATOM 0 H THR A 48 2.545 -10.911 1.206 1.00 0.00 H new ATOM 0 HA THR A 48 5.305 -11.372 0.565 1.00 0.00 H new ATOM 0 HB THR A 48 2.897 -10.070 -0.713 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.774 -11.946 -2.203 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.213 -9.821 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.894 -8.802 -1.494 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.684 -10.337 -1.927 1.00 0.00 H new ATOM 708 N ASP A 49 6.554 -9.378 1.010 1.00 0.00 N ATOM 709 CA ASP A 49 7.355 -8.217 1.359 1.00 0.00 C ATOM 710 C ASP A 49 8.005 -7.652 0.094 1.00 0.00 C ATOM 711 O ASP A 49 8.761 -8.348 -0.583 1.00 0.00 O ATOM 712 CB ASP A 49 8.470 -8.592 2.337 1.00 0.00 C ATOM 713 CG ASP A 49 8.867 -7.487 3.319 1.00 0.00 C ATOM 714 OD1 ASP A 49 9.727 -6.667 2.932 1.00 0.00 O ATOM 715 OD2 ASP A 49 8.301 -7.488 4.433 1.00 0.00 O ATOM 0 H ASP A 49 7.091 -10.220 0.804 1.00 0.00 H new ATOM 0 HA ASP A 49 6.699 -7.482 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.155 -9.467 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.351 -8.884 1.766 1.00 0.00 H new ATOM 720 N PHE A 50 7.688 -6.397 -0.186 1.00 0.00 N ATOM 721 CA PHE A 50 8.232 -5.731 -1.357 1.00 0.00 C ATOM 722 C PHE A 50 9.735 -5.984 -1.482 1.00 0.00 C ATOM 723 O PHE A 50 10.273 -6.014 -2.588 1.00 0.00 O ATOM 724 CB PHE A 50 7.993 -4.231 -1.170 1.00 0.00 C ATOM 725 CG PHE A 50 8.274 -3.396 -2.420 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.568 -3.619 -3.561 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.231 -2.429 -2.391 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.830 -2.843 -4.721 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.493 -1.654 -3.551 1.00 0.00 C ATOM 730 CZ PHE A 50 8.786 -1.877 -4.692 1.00 0.00 C ATOM 0 H PHE A 50 7.061 -5.823 0.378 1.00 0.00 H new ATOM 0 HA PHE A 50 7.750 -6.110 -2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.958 -4.074 -0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.623 -3.872 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.808 -4.386 -3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.791 -2.251 -1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.269 -3.020 -5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.253 -0.887 -3.528 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.984 -1.287 -5.574 1.00 0.00 H new ATOM 740 N PHE A 51 10.372 -6.159 -0.333 1.00 0.00 N ATOM 741 CA PHE A 51 11.803 -6.408 -0.301 1.00 0.00 C ATOM 742 C PHE A 51 12.103 -7.899 -0.468 1.00 0.00 C ATOM 743 O PHE A 51 12.740 -8.302 -1.440 1.00 0.00 O ATOM 744 CB PHE A 51 12.306 -5.949 1.069 1.00 0.00 C ATOM 745 CG PHE A 51 12.122 -4.452 1.330 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.467 -3.548 0.374 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.614 -4.026 2.517 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.296 -2.159 0.616 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.443 -2.637 2.759 1.00 0.00 C ATOM 750 CZ PHE A 51 11.788 -1.733 1.803 1.00 0.00 C ATOM 0 H PHE A 51 9.923 -6.133 0.583 1.00 0.00 H new ATOM 0 HA PHE A 51 12.293 -5.873 -1.114 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.782 -6.509 1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.364 -6.195 1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.871 -3.886 -0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.340 -4.744 3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.570 -1.441 -0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.039 -2.299 3.702 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.658 -0.677 1.987 1.00 0.00 H new ATOM 760 N LYS A 52 11.632 -8.676 0.496 1.00 0.00 N ATOM 761 CA LYS A 52 11.842 -10.114 0.468 1.00 0.00 C ATOM 762 C LYS A 52 11.664 -10.623 -0.964 1.00 0.00 C ATOM 763 O LYS A 52 12.333 -11.569 -1.378 1.00 0.00 O ATOM 764 CB LYS A 52 10.935 -10.808 1.485 1.00 0.00 C ATOM 765 CG LYS A 52 11.149 -10.239 2.889 1.00 0.00 C ATOM 766 CD LYS A 52 11.899 -11.236 3.776 1.00 0.00 C ATOM 767 CE LYS A 52 13.021 -10.543 4.552 1.00 0.00 C ATOM 768 NZ LYS A 52 12.860 -10.767 6.006 1.00 0.00 N ATOM 0 H LYS A 52 11.106 -8.337 1.301 1.00 0.00 H new ATOM 0 HA LYS A 52 12.861 -10.356 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.892 -10.682 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.138 -11.879 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.712 -9.308 2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.186 -9.999 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.203 -11.702 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.316 -12.033 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.988 -10.925 4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.012 -9.474 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.629 -10.290 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.946 -10.381 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.892 -11.787 6.206 1.00 0.00 H new ATOM 782 N SER A 53 10.757 -9.975 -1.680 1.00 0.00 N ATOM 783 CA SER A 53 10.482 -10.350 -3.056 1.00 0.00 C ATOM 784 C SER A 53 11.745 -10.190 -3.905 1.00 0.00 C ATOM 785 O SER A 53 12.118 -11.097 -4.647 1.00 0.00 O ATOM 786 CB SER A 53 9.342 -9.513 -3.639 1.00 0.00 C ATOM 787 OG SER A 53 8.065 -9.975 -3.206 1.00 0.00 O ATOM 0 H SER A 53 10.203 -9.192 -1.333 1.00 0.00 H new ATOM 0 HA SER A 53 10.172 -11.395 -3.069 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.470 -8.471 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.389 -9.545 -4.728 1.00 0.00 H new ATOM 0 HG SER A 53 7.543 -9.220 -2.863 1.00 0.00 H new ATOM 793 N GLY A 54 12.369 -9.029 -3.767 1.00 0.00 N ATOM 794 CA GLY A 54 13.582 -8.738 -4.512 1.00 0.00 C ATOM 795 C GLY A 54 13.486 -7.378 -5.206 1.00 0.00 C ATOM 796 O GLY A 54 13.899 -7.233 -6.356 1.00 0.00 O ATOM 0 H GLY A 54 12.057 -8.279 -3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.438 -8.746 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.753 -9.518 -5.254 1.00 0.00 H new ATOM 800 N ALA A 55 12.940 -6.415 -4.478 1.00 0.00 N ATOM 801 CA ALA A 55 12.785 -5.071 -5.010 1.00 0.00 C ATOM 802 C ALA A 55 13.976 -4.215 -4.575 1.00 0.00 C ATOM 803 O ALA A 55 14.330 -4.190 -3.397 1.00 0.00 O ATOM 804 CB ALA A 55 11.448 -4.490 -4.546 1.00 0.00 C ATOM 0 H ALA A 55 12.599 -6.538 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 55 12.772 -5.088 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.331 -3.482 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.634 -5.119 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.425 -4.454 -3.457 1.00 0.00 H new ATOM 810 N ALA A 56 14.561 -3.534 -5.549 1.00 0.00 N ATOM 811 CA ALA A 56 15.705 -2.678 -5.282 1.00 0.00 C ATOM 812 C ALA A 56 15.213 -1.274 -4.922 1.00 0.00 C ATOM 813 O ALA A 56 14.054 -0.939 -5.161 1.00 0.00 O ATOM 814 CB ALA A 56 16.636 -2.677 -6.495 1.00 0.00 C ATOM 0 H ALA A 56 14.264 -3.557 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 56 16.276 -3.054 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.494 -2.035 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.980 -3.693 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.098 -2.303 -7.366 1.00 0.00 H new ATOM 820 N SER A 57 16.119 -0.492 -4.355 1.00 0.00 N ATOM 821 CA SER A 57 15.792 0.868 -3.961 1.00 0.00 C ATOM 822 C SER A 57 15.187 1.625 -5.144 1.00 0.00 C ATOM 823 O SER A 57 14.562 2.669 -4.964 1.00 0.00 O ATOM 824 CB SER A 57 17.029 1.602 -3.437 1.00 0.00 C ATOM 825 OG SER A 57 17.480 1.069 -2.195 1.00 0.00 O ATOM 0 H SER A 57 17.079 -0.774 -4.159 1.00 0.00 H new ATOM 0 HA SER A 57 15.060 0.824 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.830 1.534 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.798 2.660 -3.315 1.00 0.00 H new ATOM 0 HG SER A 57 18.272 1.563 -1.895 1.00 0.00 H new ATOM 831 N VAL A 58 15.394 1.069 -6.329 1.00 0.00 N ATOM 832 CA VAL A 58 14.876 1.679 -7.542 1.00 0.00 C ATOM 833 C VAL A 58 13.364 1.462 -7.612 1.00 0.00 C ATOM 834 O VAL A 58 12.596 2.422 -7.655 1.00 0.00 O ATOM 835 CB VAL A 58 15.617 1.127 -8.762 1.00 0.00 C ATOM 836 CG1 VAL A 58 14.636 0.756 -9.877 1.00 0.00 C ATOM 837 CG2 VAL A 58 16.666 2.121 -9.263 1.00 0.00 C ATOM 0 H VAL A 58 15.913 0.203 -6.475 1.00 0.00 H new ATOM 0 HA VAL A 58 15.049 2.755 -7.532 1.00 0.00 H new ATOM 0 HB VAL A 58 16.136 0.219 -8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.188 0.366 -10.732 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.944 -0.004 -9.515 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.077 1.641 -10.179 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.178 1.704 -10.130 1.00 0.00 H new ATOM 0 HG22 VAL A 58 16.178 3.054 -9.544 1.00 0.00 H new ATOM 0 HG23 VAL A 58 17.391 2.314 -8.472 1.00 0.00 H new ATOM 847 N ASP A 59 12.980 0.193 -7.621 1.00 0.00 N ATOM 848 CA ASP A 59 11.573 -0.162 -7.685 1.00 0.00 C ATOM 849 C ASP A 59 10.800 0.641 -6.637 1.00 0.00 C ATOM 850 O ASP A 59 9.642 0.996 -6.851 1.00 0.00 O ATOM 851 CB ASP A 59 11.366 -1.649 -7.388 1.00 0.00 C ATOM 852 CG ASP A 59 10.884 -2.485 -8.576 1.00 0.00 C ATOM 853 OD1 ASP A 59 10.229 -1.890 -9.459 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.180 -3.699 -8.573 1.00 0.00 O ATOM 0 H ASP A 59 13.619 -0.601 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 59 11.215 0.058 -8.691 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.306 -2.066 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.643 -1.745 -6.578 1.00 0.00 H new ATOM 859 N VAL A 60 11.472 0.903 -5.525 1.00 0.00 N ATOM 860 CA VAL A 60 10.863 1.657 -4.443 1.00 0.00 C ATOM 861 C VAL A 60 10.238 2.935 -5.006 1.00 0.00 C ATOM 862 O VAL A 60 9.119 3.295 -4.644 1.00 0.00 O ATOM 863 CB VAL A 60 11.897 1.930 -3.348 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.321 2.845 -2.266 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.413 0.622 -2.744 1.00 0.00 C ATOM 0 H VAL A 60 12.432 0.606 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 60 10.063 1.080 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 60 12.742 2.444 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.076 3.023 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.026 3.795 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.450 2.370 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.146 0.844 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.581 0.069 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.880 0.020 -3.524 1.00 0.00 H new ATOM 875 N VAL A 61 10.989 3.586 -5.883 1.00 0.00 N ATOM 876 CA VAL A 61 10.522 4.816 -6.500 1.00 0.00 C ATOM 877 C VAL A 61 9.469 4.483 -7.559 1.00 0.00 C ATOM 878 O VAL A 61 8.504 5.226 -7.735 1.00 0.00 O ATOM 879 CB VAL A 61 11.708 5.601 -7.063 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.278 7.000 -7.509 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.849 5.677 -6.046 1.00 0.00 C ATOM 0 H VAL A 61 11.917 3.285 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 61 10.046 5.458 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 61 12.076 5.068 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.140 7.537 -7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.515 6.917 -8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.872 7.545 -6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.679 6.240 -6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.498 6.175 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.183 4.670 -5.798 1.00 0.00 H new ATOM 891 N ARG A 62 9.690 3.366 -8.236 1.00 0.00 N ATOM 892 CA ARG A 62 8.771 2.925 -9.273 1.00 0.00 C ATOM 893 C ARG A 62 7.379 2.689 -8.683 1.00 0.00 C ATOM 894 O ARG A 62 6.407 3.308 -9.111 1.00 0.00 O ATOM 895 CB ARG A 62 9.264 1.636 -9.933 1.00 0.00 C ATOM 896 CG ARG A 62 8.917 1.617 -11.423 1.00 0.00 C ATOM 897 CD ARG A 62 9.605 0.447 -12.131 1.00 0.00 C ATOM 898 NE ARG A 62 8.647 -0.233 -13.032 1.00 0.00 N ATOM 899 CZ ARG A 62 8.347 0.191 -14.267 1.00 0.00 C ATOM 900 NH1 ARG A 62 8.927 1.295 -14.756 1.00 0.00 N ATOM 901 NH2 ARG A 62 7.466 -0.490 -15.013 1.00 0.00 N ATOM 0 H ARG A 62 10.491 2.753 -8.087 1.00 0.00 H new ATOM 0 HA ARG A 62 8.721 3.710 -10.028 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.343 1.547 -9.806 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.813 0.775 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.837 1.538 -11.548 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.223 2.556 -11.883 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.460 0.809 -12.702 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.989 -0.259 -11.395 1.00 0.00 H new ATOM 0 HE ARG A 62 8.187 -1.077 -12.691 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.597 1.813 -14.188 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.698 1.617 -15.696 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.024 -1.331 -14.640 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.237 -0.168 -15.953 1.00 0.00 H new ATOM 915 N LEU A 63 7.329 1.791 -7.710 1.00 0.00 N ATOM 916 CA LEU A 63 6.072 1.465 -7.058 1.00 0.00 C ATOM 917 C LEU A 63 5.391 2.755 -6.598 1.00 0.00 C ATOM 918 O LEU A 63 4.210 2.969 -6.870 1.00 0.00 O ATOM 919 CB LEU A 63 6.299 0.454 -5.932 1.00 0.00 C ATOM 920 CG LEU A 63 5.322 0.529 -4.756 1.00 0.00 C ATOM 921 CD1 LEU A 63 3.915 0.111 -5.187 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.827 -0.295 -3.570 1.00 0.00 C ATOM 0 H LEU A 63 8.138 1.279 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 63 5.394 0.979 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.250 -0.549 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.310 0.589 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 63 5.263 1.566 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.240 0.173 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.564 0.775 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.938 -0.914 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.114 -0.224 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.933 -1.338 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.794 0.089 -3.246 1.00 0.00 H new ATOM 934 N VAL A 64 6.164 3.582 -5.910 1.00 0.00 N ATOM 935 CA VAL A 64 5.651 4.846 -5.410 1.00 0.00 C ATOM 936 C VAL A 64 5.171 5.698 -6.587 1.00 0.00 C ATOM 937 O VAL A 64 4.111 6.319 -6.517 1.00 0.00 O ATOM 938 CB VAL A 64 6.715 5.544 -4.561 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.180 6.855 -3.980 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.226 4.621 -3.453 1.00 0.00 C ATOM 0 H VAL A 64 7.143 3.401 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 64 4.793 4.679 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 64 7.557 5.784 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.956 7.331 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.889 7.521 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.313 6.648 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.981 5.142 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.396 4.335 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.665 3.728 -3.897 1.00 0.00 H new ATOM 950 N GLU A 65 5.973 5.699 -7.641 1.00 0.00 N ATOM 951 CA GLU A 65 5.644 6.465 -8.831 1.00 0.00 C ATOM 952 C GLU A 65 4.391 5.894 -9.499 1.00 0.00 C ATOM 953 O GLU A 65 3.531 6.644 -9.958 1.00 0.00 O ATOM 954 CB GLU A 65 6.821 6.494 -9.808 1.00 0.00 C ATOM 955 CG GLU A 65 7.875 7.511 -9.365 1.00 0.00 C ATOM 956 CD GLU A 65 7.825 8.767 -10.237 1.00 0.00 C ATOM 957 OE1 GLU A 65 6.700 9.273 -10.439 1.00 0.00 O ATOM 958 OE2 GLU A 65 8.913 9.193 -10.682 1.00 0.00 O ATOM 0 H GLU A 65 6.850 5.181 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 65 5.438 7.493 -8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.270 5.503 -9.871 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.464 6.746 -10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.709 7.781 -8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.866 7.062 -9.424 1.00 0.00 H new ATOM 965 N GLU A 66 4.328 4.571 -9.532 1.00 0.00 N ATOM 966 CA GLU A 66 3.195 3.891 -10.137 1.00 0.00 C ATOM 967 C GLU A 66 1.907 4.234 -9.386 1.00 0.00 C ATOM 968 O GLU A 66 0.951 4.731 -9.980 1.00 0.00 O ATOM 969 CB GLU A 66 3.420 2.378 -10.175 1.00 0.00 C ATOM 970 CG GLU A 66 4.307 1.985 -11.358 1.00 0.00 C ATOM 971 CD GLU A 66 3.557 1.065 -12.324 1.00 0.00 C ATOM 972 OE1 GLU A 66 2.673 0.330 -11.835 1.00 0.00 O ATOM 973 OE2 GLU A 66 3.885 1.119 -13.529 1.00 0.00 O ATOM 0 H GLU A 66 5.043 3.952 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 66 3.096 4.237 -11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.884 2.052 -9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.461 1.866 -10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.635 2.881 -11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.203 1.483 -10.994 1.00 0.00 H new ATOM 980 N VAL A 67 1.923 3.957 -8.090 1.00 0.00 N ATOM 981 CA VAL A 67 0.769 4.231 -7.252 1.00 0.00 C ATOM 982 C VAL A 67 0.417 5.717 -7.344 1.00 0.00 C ATOM 983 O VAL A 67 -0.718 6.108 -7.078 1.00 0.00 O ATOM 984 CB VAL A 67 1.042 3.769 -5.819 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.139 4.098 -4.902 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.369 2.275 -5.777 1.00 0.00 C ATOM 0 H VAL A 67 2.718 3.545 -7.600 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.098 3.670 -7.601 1.00 0.00 H new ATOM 0 HB VAL A 67 1.913 4.313 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.081 3.759 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.306 5.175 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.034 3.594 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.559 1.973 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.527 1.707 -6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.255 2.079 -6.382 1.00 0.00 H new ATOM 996 N LYS A 68 1.413 6.505 -7.723 1.00 0.00 N ATOM 997 CA LYS A 68 1.223 7.939 -7.854 1.00 0.00 C ATOM 998 C LYS A 68 0.223 8.217 -8.979 1.00 0.00 C ATOM 999 O LYS A 68 -0.671 9.047 -8.828 1.00 0.00 O ATOM 1000 CB LYS A 68 2.569 8.643 -8.041 1.00 0.00 C ATOM 1001 CG LYS A 68 2.901 9.520 -6.831 1.00 0.00 C ATOM 1002 CD LYS A 68 4.224 9.093 -6.193 1.00 0.00 C ATOM 1003 CE LYS A 68 4.926 10.285 -5.537 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.961 9.819 -4.588 1.00 0.00 N ATOM 0 H LYS A 68 2.353 6.177 -7.943 1.00 0.00 H new ATOM 0 HA LYS A 68 0.797 8.351 -6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.355 7.901 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.541 9.256 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.962 10.564 -7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.099 9.451 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.040 8.320 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.874 8.656 -6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.382 10.912 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.195 10.902 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.560 10.621 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.503 9.416 -3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.548 9.091 -5.044 1.00 0.00 H new ATOM 1018 N GLU A 69 0.408 7.505 -10.081 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.466 7.663 -11.230 1.00 0.00 C ATOM 1020 C GLU A 69 -1.861 7.120 -10.915 1.00 0.00 C ATOM 1021 O GLU A 69 -2.836 7.484 -11.570 1.00 0.00 O ATOM 1022 CB GLU A 69 0.122 6.980 -12.466 1.00 0.00 C ATOM 1023 CG GLU A 69 1.603 7.328 -12.632 1.00 0.00 C ATOM 1024 CD GLU A 69 1.848 8.065 -13.950 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.220 9.131 -14.130 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.658 7.546 -14.748 1.00 0.00 O ATOM 0 H GLU A 69 1.151 6.817 -10.202 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.553 8.727 -11.451 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.006 5.900 -12.379 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.430 7.289 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.930 7.949 -11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.200 6.416 -12.604 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.912 6.256 -9.911 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.171 5.658 -9.501 1.00 0.00 C ATOM 1035 C LEU A 70 -4.059 6.733 -8.870 1.00 0.00 C ATOM 1036 O LEU A 70 -5.236 6.847 -9.208 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.922 4.454 -8.591 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.607 3.133 -9.298 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.550 1.977 -8.297 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.604 2.865 -10.427 1.00 0.00 C ATOM 0 H LEU A 70 -1.101 5.956 -9.370 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.707 5.268 -10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.094 4.693 -7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.803 4.308 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.620 3.215 -9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.325 1.050 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.772 2.173 -7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.512 1.884 -7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.358 1.921 -10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.612 2.810 -10.017 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.553 3.673 -11.157 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.460 7.492 -7.964 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.182 8.553 -7.283 1.00 0.00 C ATOM 1054 C CYS A 71 -3.850 9.879 -7.971 1.00 0.00 C ATOM 1055 O CYS A 71 -4.318 10.936 -7.549 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.857 8.589 -5.788 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.321 9.145 -4.842 1.00 0.00 S ATOM 0 H CYS A 71 -2.484 7.393 -7.686 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.254 8.368 -7.351 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.550 7.599 -5.450 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.019 9.262 -5.606 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.035 9.170 -3.574 1.00 0.00 H new ATOM 1063 N ASP A 72 -3.046 9.780 -9.019 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.646 10.958 -9.769 1.00 0.00 C ATOM 1065 C ASP A 72 -1.879 11.909 -8.848 1.00 0.00 C ATOM 1066 O ASP A 72 -2.402 12.949 -8.449 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.865 11.706 -10.311 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.554 13.030 -11.011 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.535 13.063 -11.735 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -4.341 13.980 -10.807 1.00 0.00 O ATOM 0 H ASP A 72 -2.661 8.902 -9.367 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.023 10.631 -10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.389 11.056 -11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.549 11.901 -9.485 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.652 11.518 -8.536 1.00 0.00 N ATOM 1076 CA GLY A 73 0.191 12.323 -7.668 1.00 0.00 C ATOM 1077 C GLY A 73 -0.045 11.975 -6.197 1.00 0.00 C ATOM 1078 O GLY A 73 -0.108 12.863 -5.348 1.00 0.00 O ATOM 0 H GLY A 73 -0.222 10.655 -8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.239 12.160 -7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.016 13.380 -7.833 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.170 10.681 -5.941 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.398 10.205 -4.587 1.00 0.00 C ATOM 1084 C LEU A 74 0.698 10.749 -3.668 1.00 0.00 C ATOM 1085 O LEU A 74 1.854 10.862 -4.074 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.515 8.680 -4.568 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.760 8.043 -3.199 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -2.065 8.551 -2.583 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.726 6.516 -3.290 1.00 0.00 C ATOM 0 H LEU A 74 -0.118 9.948 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.348 10.580 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.329 8.390 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.401 8.260 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 74 0.049 8.344 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.215 8.082 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.013 9.633 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.899 8.300 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.903 6.089 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.500 6.175 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.250 6.195 -3.655 1.00 0.00 H new ATOM 1101 N GLU A 75 0.296 11.072 -2.448 1.00 0.00 N ATOM 1102 CA GLU A 75 1.229 11.601 -1.468 1.00 0.00 C ATOM 1103 C GLU A 75 2.059 10.469 -0.859 1.00 0.00 C ATOM 1104 O GLU A 75 2.010 10.239 0.348 1.00 0.00 O ATOM 1105 CB GLU A 75 0.496 12.389 -0.381 1.00 0.00 C ATOM 1106 CG GLU A 75 -0.567 11.524 0.300 1.00 0.00 C ATOM 1107 CD GLU A 75 -1.065 12.181 1.589 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -0.223 12.806 2.269 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -2.276 12.043 1.865 1.00 0.00 O ATOM 0 H GLU A 75 -0.664 10.978 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 75 1.905 12.289 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.211 12.744 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.027 13.270 -0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.404 11.368 -0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.152 10.542 0.525 1.00 0.00 H new ATOM 1116 N LEU A 76 2.801 9.792 -1.723 1.00 0.00 N ATOM 1117 CA LEU A 76 3.640 8.689 -1.285 1.00 0.00 C ATOM 1118 C LEU A 76 5.108 9.115 -1.348 1.00 0.00 C ATOM 1119 O LEU A 76 5.451 10.077 -2.033 1.00 0.00 O ATOM 1120 CB LEU A 76 3.331 7.427 -2.093 1.00 0.00 C ATOM 1121 CG LEU A 76 3.713 6.099 -1.436 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.816 5.805 -0.232 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.696 4.958 -2.455 1.00 0.00 C ATOM 0 H LEU A 76 2.839 9.986 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 76 3.425 8.436 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.262 7.409 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.847 7.497 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 76 4.734 6.183 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.109 4.856 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.922 6.602 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.777 5.748 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.971 4.026 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.696 4.863 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.409 5.171 -3.252 1.00 0.00 H new ATOM 1135 N GLU A 77 5.937 8.377 -0.623 1.00 0.00 N ATOM 1136 CA GLU A 77 7.360 8.666 -0.588 1.00 0.00 C ATOM 1137 C GLU A 77 8.158 7.378 -0.373 1.00 0.00 C ATOM 1138 O GLU A 77 7.659 6.427 0.225 1.00 0.00 O ATOM 1139 CB GLU A 77 7.683 9.698 0.495 1.00 0.00 C ATOM 1140 CG GLU A 77 6.634 9.671 1.608 1.00 0.00 C ATOM 1141 CD GLU A 77 6.988 10.661 2.720 1.00 0.00 C ATOM 1142 OE1 GLU A 77 8.070 10.479 3.318 1.00 0.00 O ATOM 1143 OE2 GLU A 77 6.169 11.578 2.945 1.00 0.00 O ATOM 0 H GLU A 77 5.650 7.580 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 77 7.648 9.093 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.668 9.494 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.724 10.694 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.655 9.916 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.563 8.665 2.021 1.00 0.00 H new ATOM 1150 N ASN A 78 9.384 7.390 -0.875 1.00 0.00 N ATOM 1151 CA ASN A 78 10.256 6.235 -0.746 1.00 0.00 C ATOM 1152 C ASN A 78 10.243 5.750 0.706 1.00 0.00 C ATOM 1153 O ASN A 78 10.379 4.556 0.967 1.00 0.00 O ATOM 1154 CB ASN A 78 11.699 6.589 -1.112 1.00 0.00 C ATOM 1155 CG ASN A 78 11.776 7.188 -2.518 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.426 6.564 -3.507 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.251 8.429 -2.552 1.00 0.00 N ATOM 0 H ASN A 78 9.794 8.181 -1.372 1.00 0.00 H new ATOM 0 HA ASN A 78 9.892 5.462 -1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.098 7.299 -0.388 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.321 5.696 -1.059 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.341 8.917 -3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.526 8.894 -1.687 1.00 0.00 H new ATOM 1164 N GLU A 79 10.078 6.703 1.612 1.00 0.00 N ATOM 1165 CA GLU A 79 10.045 6.388 3.030 1.00 0.00 C ATOM 1166 C GLU A 79 8.859 5.475 3.344 1.00 0.00 C ATOM 1167 O GLU A 79 8.993 4.516 4.103 1.00 0.00 O ATOM 1168 CB GLU A 79 9.993 7.664 3.874 1.00 0.00 C ATOM 1169 CG GLU A 79 9.367 7.391 5.243 1.00 0.00 C ATOM 1170 CD GLU A 79 10.059 8.209 6.335 1.00 0.00 C ATOM 1171 OE1 GLU A 79 10.428 9.364 6.032 1.00 0.00 O ATOM 1172 OE2 GLU A 79 10.203 7.661 7.449 1.00 0.00 O ATOM 0 H GLU A 79 9.966 7.693 1.392 1.00 0.00 H new ATOM 0 HA GLU A 79 10.963 5.859 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.000 8.060 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.415 8.427 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.305 7.637 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.443 6.329 5.476 1.00 0.00 H new ATOM 1179 N ASP A 80 7.725 5.804 2.744 1.00 0.00 N ATOM 1180 CA ASP A 80 6.515 5.025 2.950 1.00 0.00 C ATOM 1181 C ASP A 80 6.806 3.552 2.655 1.00 0.00 C ATOM 1182 O ASP A 80 6.413 2.673 3.420 1.00 0.00 O ATOM 1183 CB ASP A 80 5.398 5.484 2.011 1.00 0.00 C ATOM 1184 CG ASP A 80 4.775 6.837 2.360 1.00 0.00 C ATOM 1185 OD1 ASP A 80 4.530 7.055 3.566 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.557 7.623 1.412 1.00 0.00 O ATOM 0 H ASP A 80 7.618 6.600 2.115 1.00 0.00 H new ATOM 0 HA ASP A 80 6.197 5.163 3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.794 5.534 0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.612 4.729 2.009 1.00 0.00 H new ATOM 1191 N VAL A 81 7.492 3.329 1.544 1.00 0.00 N ATOM 1192 CA VAL A 81 7.840 1.978 1.138 1.00 0.00 C ATOM 1193 C VAL A 81 8.739 1.345 2.203 1.00 0.00 C ATOM 1194 O VAL A 81 8.561 0.181 2.559 1.00 0.00 O ATOM 1195 CB VAL A 81 8.482 1.997 -0.251 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.881 0.587 -0.689 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.550 2.647 -1.276 1.00 0.00 C ATOM 0 H VAL A 81 7.816 4.061 0.912 1.00 0.00 H new ATOM 0 HA VAL A 81 6.945 1.361 1.059 1.00 0.00 H new ATOM 0 HB VAL A 81 9.389 2.599 -0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.335 0.628 -1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.597 0.174 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.996 -0.048 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.030 2.648 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.618 2.084 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.337 3.673 -0.975 1.00 0.00 H new ATOM 1207 N TYR A 82 9.684 2.141 2.682 1.00 0.00 N ATOM 1208 CA TYR A 82 10.610 1.674 3.699 1.00 0.00 C ATOM 1209 C TYR A 82 9.883 1.392 5.016 1.00 0.00 C ATOM 1210 O TYR A 82 10.406 0.690 5.880 1.00 0.00 O ATOM 1211 CB TYR A 82 11.608 2.813 3.916 1.00 0.00 C ATOM 1212 CG TYR A 82 12.415 3.180 2.668 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.488 2.297 1.610 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.068 4.393 2.601 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.247 2.642 0.436 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.827 4.739 1.427 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.879 3.846 0.402 1.00 0.00 C ATOM 1218 OH TYR A 82 14.596 4.172 -0.707 1.00 0.00 O ATOM 0 H TYR A 82 9.828 3.106 2.384 1.00 0.00 H new ATOM 0 HA TYR A 82 11.092 0.749 3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.068 3.695 4.259 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.297 2.532 4.712 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.976 1.348 1.663 1.00 0.00 H new ATOM 0 HD2 TYR A 82 13.010 5.084 3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.313 1.960 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.343 5.686 1.362 1.00 0.00 H new ATOM 0 HH TYR A 82 14.991 5.061 -0.591 1.00 0.00 H new ATOM 1228 N MET A 83 8.688 1.953 5.127 1.00 0.00 N ATOM 1229 CA MET A 83 7.884 1.771 6.323 1.00 0.00 C ATOM 1230 C MET A 83 6.968 0.553 6.187 1.00 0.00 C ATOM 1231 O MET A 83 6.848 -0.245 7.115 1.00 0.00 O ATOM 1232 CB MET A 83 7.038 3.022 6.565 1.00 0.00 C ATOM 1233 CG MET A 83 7.272 3.578 7.971 1.00 0.00 C ATOM 1234 SD MET A 83 7.088 2.278 9.180 1.00 0.00 S ATOM 1235 CE MET A 83 5.326 2.357 9.456 1.00 0.00 C ATOM 0 H MET A 83 8.257 2.534 4.408 1.00 0.00 H new ATOM 0 HA MET A 83 8.554 1.606 7.167 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.285 3.782 5.824 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.983 2.782 6.436 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.270 4.010 8.039 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.563 4.380 8.176 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.039 1.605 10.191 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.060 3.347 9.827 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.802 2.167 8.519 1.00 0.00 H new ATOM 1245 N ALA A 84 6.344 0.448 5.023 1.00 0.00 N ATOM 1246 CA ALA A 84 5.442 -0.658 4.753 1.00 0.00 C ATOM 1247 C ALA A 84 5.999 -1.496 3.600 1.00 0.00 C ATOM 1248 O ALA A 84 5.646 -1.277 2.443 1.00 0.00 O ATOM 1249 CB ALA A 84 4.043 -0.116 4.457 1.00 0.00 C ATOM 0 H ALA A 84 6.446 1.112 4.255 1.00 0.00 H new ATOM 0 HA ALA A 84 5.362 -1.308 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.366 -0.946 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.681 0.446 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.083 0.540 3.587 1.00 0.00 H new ATOM 1255 N SER A 85 6.862 -2.436 3.957 1.00 0.00 N ATOM 1256 CA SER A 85 7.471 -3.307 2.967 1.00 0.00 C ATOM 1257 C SER A 85 6.444 -4.321 2.458 1.00 0.00 C ATOM 1258 O SER A 85 6.422 -4.646 1.272 1.00 0.00 O ATOM 1259 CB SER A 85 8.689 -4.031 3.544 1.00 0.00 C ATOM 1260 OG SER A 85 8.318 -5.031 4.489 1.00 0.00 O ATOM 0 H SER A 85 7.154 -2.613 4.918 1.00 0.00 H new ATOM 0 HA SER A 85 7.809 -2.691 2.133 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.255 -4.490 2.734 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.348 -3.307 4.023 1.00 0.00 H new ATOM 0 HG SER A 85 9.087 -5.245 5.058 1.00 0.00 H new ATOM 1266 N THR A 86 5.618 -4.792 3.380 1.00 0.00 N ATOM 1267 CA THR A 86 4.591 -5.761 3.040 1.00 0.00 C ATOM 1268 C THR A 86 3.364 -5.057 2.458 1.00 0.00 C ATOM 1269 O THR A 86 3.014 -3.957 2.884 1.00 0.00 O ATOM 1270 CB THR A 86 4.282 -6.582 4.294 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.125 -5.605 5.319 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.477 -7.419 4.755 1.00 0.00 C ATOM 0 H THR A 86 5.639 -4.520 4.363 1.00 0.00 H new ATOM 0 HA THR A 86 4.934 -6.444 2.263 1.00 0.00 H new ATOM 0 HB THR A 86 3.434 -7.238 4.098 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.921 -6.051 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.204 -7.982 5.648 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.764 -8.111 3.963 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.316 -6.761 4.983 1.00 0.00 H new ATOM 1280 N PHE A 87 2.744 -5.719 1.491 1.00 0.00 N ATOM 1281 CA PHE A 87 1.564 -5.169 0.846 1.00 0.00 C ATOM 1282 C PHE A 87 0.497 -4.799 1.878 1.00 0.00 C ATOM 1283 O PHE A 87 0.079 -3.645 1.958 1.00 0.00 O ATOM 1284 CB PHE A 87 1.010 -6.258 -0.075 1.00 0.00 C ATOM 1285 CG PHE A 87 0.015 -5.745 -1.117 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.364 -4.726 -1.947 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.220 -6.308 -1.214 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.560 -4.249 -2.914 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.143 -5.832 -2.181 1.00 0.00 C ATOM 1290 CZ PHE A 87 -1.794 -4.812 -3.011 1.00 0.00 C ATOM 0 H PHE A 87 3.037 -6.631 1.139 1.00 0.00 H new ATOM 0 HA PHE A 87 1.827 -4.266 0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.841 -6.742 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.523 -7.020 0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.344 -4.279 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.498 -7.117 -0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.283 -3.439 -3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.123 -6.280 -2.258 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.497 -4.450 -3.747 1.00 0.00 H new ATOM 1300 N GLY A 88 0.086 -5.801 2.642 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.925 -5.595 3.666 1.00 0.00 C ATOM 1302 C GLY A 88 -0.712 -4.262 4.386 1.00 0.00 C ATOM 1303 O GLY A 88 -1.615 -3.428 4.435 1.00 0.00 O ATOM 0 H GLY A 88 0.434 -6.757 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.916 -5.613 3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.889 -6.412 4.387 1.00 0.00 H new ATOM 1307 N ASP A 89 0.486 -4.103 4.928 1.00 0.00 N ATOM 1308 CA ASP A 89 0.829 -2.886 5.643 1.00 0.00 C ATOM 1309 C ASP A 89 0.769 -1.699 4.679 1.00 0.00 C ATOM 1310 O ASP A 89 0.151 -0.679 4.982 1.00 0.00 O ATOM 1311 CB ASP A 89 2.247 -2.962 6.213 1.00 0.00 C ATOM 1312 CG ASP A 89 2.460 -2.199 7.522 1.00 0.00 C ATOM 1313 OD1 ASP A 89 2.634 -0.964 7.438 1.00 0.00 O ATOM 1314 OD2 ASP A 89 2.444 -2.868 8.578 1.00 0.00 O ATOM 0 H ASP A 89 1.232 -4.797 4.886 1.00 0.00 H new ATOM 0 HA ASP A 89 0.119 -2.764 6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.501 -4.009 6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.943 -2.576 5.468 1.00 0.00 H new ATOM 1319 N PHE A 90 1.421 -1.871 3.539 1.00 0.00 N ATOM 1320 CA PHE A 90 1.450 -0.827 2.529 1.00 0.00 C ATOM 1321 C PHE A 90 0.035 -0.359 2.183 1.00 0.00 C ATOM 1322 O PHE A 90 -0.288 0.819 2.334 1.00 0.00 O ATOM 1323 CB PHE A 90 2.093 -1.431 1.279 1.00 0.00 C ATOM 1324 CG PHE A 90 2.264 -0.440 0.126 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.347 0.380 0.088 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.331 -0.380 -0.863 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.505 1.300 -0.982 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.489 0.539 -1.933 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.573 1.360 -1.970 1.00 0.00 C ATOM 0 H PHE A 90 1.933 -2.718 3.292 1.00 0.00 H new ATOM 0 HA PHE A 90 2.008 0.033 2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.070 -1.835 1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.484 -2.268 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.088 0.332 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.470 -1.032 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.365 1.952 -1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.749 0.586 -2.718 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.693 2.059 -2.784 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.773 -1.305 1.727 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.146 -1.004 1.359 1.00 0.00 C ATOM 1341 C ILE A 91 -2.761 -0.081 2.412 1.00 0.00 C ATOM 1342 O ILE A 91 -3.307 0.970 2.079 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.936 -2.295 1.136 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.526 -2.970 -0.175 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.442 -2.034 1.200 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.921 -2.113 -1.379 1.00 0.00 C ATOM 0 H ILE A 91 -0.503 -2.281 1.604 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.178 -0.470 0.409 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.695 -2.987 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.449 -3.137 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.001 -3.948 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.980 -2.968 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.700 -1.631 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.720 -1.317 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.618 -2.615 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.001 -1.968 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.425 -1.144 -1.315 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.651 -0.505 3.662 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.189 0.271 4.766 1.00 0.00 C ATOM 1360 C GLN A 92 -2.743 1.730 4.657 1.00 0.00 C ATOM 1361 O GLN A 92 -3.561 2.642 4.763 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.775 -0.330 6.111 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.400 -1.712 6.311 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.898 -1.599 6.603 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.328 -0.917 7.519 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -5.665 -2.304 5.777 1.00 0.00 N ATOM 0 H GLN A 92 -2.197 -1.377 3.935 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.277 0.240 4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.689 -0.408 6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.083 0.333 6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.244 -2.318 5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.903 -2.224 7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.240 -2.854 5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.679 -2.295 5.890 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.447 1.905 4.445 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.883 3.238 4.320 1.00 0.00 C ATOM 1377 C LEU A 93 -1.485 3.929 3.095 1.00 0.00 C ATOM 1378 O LEU A 93 -1.934 5.071 3.180 1.00 0.00 O ATOM 1379 CB LEU A 93 0.646 3.173 4.300 1.00 0.00 C ATOM 1380 CG LEU A 93 1.348 4.171 3.377 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.615 4.725 4.030 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.634 3.546 2.010 1.00 0.00 C ATOM 0 H LEU A 93 -0.771 1.146 4.357 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.142 3.844 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.010 3.330 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.943 2.166 4.007 1.00 0.00 H new ATOM 0 HG LEU A 93 0.677 5.014 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.094 5.432 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.354 5.233 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.301 3.906 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.133 4.276 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.277 2.675 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.696 3.241 1.546 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.474 3.208 1.984 1.00 0.00 N ATOM 1395 CA LEU A 94 -2.014 3.737 0.743 1.00 0.00 C ATOM 1396 C LEU A 94 -3.456 4.194 0.973 1.00 0.00 C ATOM 1397 O LEU A 94 -3.779 5.364 0.775 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.865 2.715 -0.385 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.862 2.839 -1.539 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.468 3.974 -2.485 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -3.018 1.507 -2.275 1.00 0.00 C ATOM 0 H LEU A 94 -1.100 2.262 1.917 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.449 4.613 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.857 2.797 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.956 1.716 0.042 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.837 3.092 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.193 4.040 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.451 4.916 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.479 3.776 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.732 1.623 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.053 1.199 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.380 0.748 -1.581 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.284 3.247 1.387 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.684 3.537 1.646 1.00 0.00 C ATOM 1415 C VAL A 95 -5.791 4.831 2.455 1.00 0.00 C ATOM 1416 O VAL A 95 -6.542 5.735 2.090 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.347 2.343 2.336 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.735 2.716 2.863 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.422 1.138 1.397 1.00 0.00 C ATOM 0 H VAL A 95 -4.012 2.277 1.550 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.221 3.693 0.711 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.729 2.063 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.185 1.850 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.644 3.530 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.366 3.034 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.897 0.304 1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.006 1.400 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.416 0.850 1.093 1.00 0.00 H new ATOM 1429 N ARG A 96 -5.029 4.879 3.538 1.00 0.00 N ATOM 1430 CA ARG A 96 -5.029 6.048 4.401 1.00 0.00 C ATOM 1431 C ARG A 96 -4.786 7.315 3.579 1.00 0.00 C ATOM 1432 O ARG A 96 -5.533 8.285 3.692 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.951 5.934 5.481 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.562 5.528 6.824 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.498 4.945 7.756 1.00 0.00 C ATOM 1436 NE ARG A 96 -3.954 5.031 9.162 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.118 6.181 9.829 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -3.865 7.349 9.224 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -4.536 6.164 11.102 1.00 0.00 N ATOM 0 H ARG A 96 -4.408 4.128 3.837 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.005 6.105 4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.205 5.199 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.434 6.888 5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.026 6.395 7.294 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.351 4.793 6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.301 3.906 7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.560 5.488 7.635 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.156 4.160 9.653 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.547 7.363 8.255 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.990 8.224 9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.729 5.275 11.563 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.661 7.040 11.610 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.737 7.265 2.770 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.386 8.397 1.930 1.00 0.00 C ATOM 1455 C LYS A 97 -4.524 8.666 0.943 1.00 0.00 C ATOM 1456 O LYS A 97 -4.907 9.816 0.730 1.00 0.00 O ATOM 1457 CB LYS A 97 -2.031 8.166 1.258 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.936 7.930 2.300 1.00 0.00 C ATOM 1459 CD LYS A 97 0.389 7.564 1.630 1.00 0.00 C ATOM 1460 CE LYS A 97 1.542 7.605 2.635 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.951 9.003 2.898 1.00 0.00 N ATOM 0 H LYS A 97 -3.119 6.458 2.679 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.267 9.297 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.094 7.307 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.774 9.029 0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.806 8.827 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.239 7.130 2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.317 6.567 1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.590 8.256 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.237 7.128 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.389 7.039 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.893 9.012 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.983 9.530 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.265 9.451 3.538 1.00 0.00 H new ATOM 1475 N LEU A 98 -5.032 7.587 0.366 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.118 7.692 -0.593 1.00 0.00 C ATOM 1477 C LEU A 98 -7.279 8.461 0.039 1.00 0.00 C ATOM 1478 O LEU A 98 -7.699 9.495 -0.478 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.509 6.307 -1.114 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.417 5.538 -1.860 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -6.025 4.487 -2.790 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.486 6.495 -2.608 1.00 0.00 C ATOM 0 H LEU A 98 -4.711 6.635 0.544 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.799 8.258 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.839 5.703 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.365 6.419 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.811 5.007 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.227 3.955 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.613 3.780 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.669 4.977 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.719 5.923 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.062 7.073 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.013 7.172 -1.897 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.766 7.927 1.150 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.870 8.551 1.859 1.00 0.00 C ATOM 1496 C ARG A 99 -8.578 10.034 2.096 1.00 0.00 C ATOM 1497 O ARG A 99 -9.420 10.888 1.821 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.119 7.865 3.203 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.844 6.531 3.013 1.00 0.00 C ATOM 1500 CD ARG A 99 -9.492 5.551 4.134 1.00 0.00 C ATOM 1501 NE ARG A 99 -9.907 4.181 3.757 1.00 0.00 N ATOM 1502 CZ ARG A 99 -10.179 3.210 4.639 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -10.081 3.451 5.954 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -10.549 1.997 4.207 1.00 0.00 N ATOM 0 H ARG A 99 -7.416 7.069 1.576 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.762 8.448 1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.169 7.697 3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.712 8.517 3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.921 6.698 2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.573 6.100 2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.419 5.575 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.988 5.849 5.058 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.991 3.963 2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.799 4.374 6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.288 2.711 6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.624 1.813 3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.756 1.258 4.879 1.00 0.00 H new