USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 534 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 50 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.28) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 82 LYS NZ :NH3+ 165:sc= 0.825 (180deg=0.754) USER MOD Set 3.1: A 52 ASN : amide:sc= -0.052 K(o=-0.052,f=-3.9!) USER MOD Set 3.2: A 54 GLN : amide:sc= 0 X(o=-0.052,f=-0.3) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.69 F(o=-4!,f=-1.7) USER MOD Single : A 35 CYS SG : rot 73:sc= -2.2 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 46 CYS SG : rot 180:sc= -4.03 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3.54 K(o=-3.5,f=-8.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.035 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 38:sc= 0.148 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.211 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 18 9.676 0.347 1.093 1.00 0.00 N ATOM 194 CA ARG A 18 8.436 1.014 0.713 1.00 0.00 C ATOM 195 C ARG A 18 8.483 1.458 -0.746 1.00 0.00 C ATOM 196 O ARG A 18 9.353 2.234 -1.140 1.00 0.00 O ATOM 197 CB ARG A 18 8.184 2.222 1.617 1.00 0.00 C ATOM 198 CG ARG A 18 8.186 1.885 3.099 1.00 0.00 C ATOM 199 CD ARG A 18 6.997 1.013 3.473 1.00 0.00 C ATOM 200 NE ARG A 18 5.825 1.809 3.827 1.00 0.00 N ATOM 201 CZ ARG A 18 5.612 2.305 5.041 1.00 0.00 C ATOM 202 NH1 ARG A 18 6.488 2.089 6.012 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.521 3.020 5.285 1.00 0.00 N ATOM 0 HA ARG A 18 7.619 0.303 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.948 2.975 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.224 2.667 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.112 1.369 3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.162 2.805 3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.751 0.357 2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.267 0.372 4.312 1.00 0.00 H new ATOM 0 HE ARG A 18 5.132 1.994 3.102 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.328 1.541 5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.322 2.471 6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.845 3.189 4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.358 3.400 6.217 1.00 0.00 H new ATOM 217 N GLU A 19 7.542 0.960 -1.542 1.00 0.00 N ATOM 218 CA GLU A 19 7.478 1.305 -2.957 1.00 0.00 C ATOM 219 C GLU A 19 6.386 2.339 -3.216 1.00 0.00 C ATOM 220 O GLU A 19 5.413 2.434 -2.467 1.00 0.00 O ATOM 221 CB GLU A 19 7.220 0.054 -3.799 1.00 0.00 C ATOM 222 CG GLU A 19 8.200 -1.075 -3.526 1.00 0.00 C ATOM 223 CD GLU A 19 9.425 -1.012 -4.418 1.00 0.00 C ATOM 224 OE1 GLU A 19 9.775 0.098 -4.870 1.00 0.00 O ATOM 225 OE2 GLU A 19 10.034 -2.075 -4.665 1.00 0.00 O ATOM 0 H GLU A 19 6.814 0.317 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 19 8.438 1.735 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.207 -0.301 -3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.270 0.320 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.512 -1.036 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.697 -2.031 -3.672 1.00 0.00 H new ATOM 232 N THR A 20 6.554 3.115 -4.283 1.00 0.00 N ATOM 233 CA THR A 20 5.586 4.143 -4.641 1.00 0.00 C ATOM 234 C THR A 20 4.962 3.861 -6.003 1.00 0.00 C ATOM 235 O THR A 20 5.640 3.407 -6.925 1.00 0.00 O ATOM 236 CB THR A 20 6.233 5.540 -4.665 1.00 0.00 C ATOM 237 OG1 THR A 20 7.113 5.653 -5.789 1.00 0.00 O ATOM 238 CG2 THR A 20 7.006 5.801 -3.381 1.00 0.00 C ATOM 0 H THR A 20 7.353 3.050 -4.914 1.00 0.00 H new ATOM 0 HA THR A 20 4.808 4.124 -3.877 1.00 0.00 H new ATOM 0 HB THR A 20 5.439 6.282 -4.749 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.519 6.545 -5.798 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.454 6.794 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.328 5.743 -2.530 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.791 5.053 -3.270 1.00 0.00 H new ATOM 246 N GLY A 21 3.666 4.132 -6.124 1.00 0.00 N ATOM 247 CA GLY A 21 2.973 3.901 -7.378 1.00 0.00 C ATOM 248 C GLY A 21 1.823 4.865 -7.590 1.00 0.00 C ATOM 249 O GLY A 21 1.947 6.060 -7.325 1.00 0.00 O ATOM 0 H GLY A 21 3.083 4.508 -5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.679 3.996 -8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.595 2.879 -7.398 1.00 0.00 H new ATOM 253 N VAL A 22 0.698 4.344 -8.072 1.00 0.00 N ATOM 254 CA VAL A 22 -0.480 5.167 -8.321 1.00 0.00 C ATOM 255 C VAL A 22 -1.760 4.352 -8.175 1.00 0.00 C ATOM 256 O VAL A 22 -1.795 3.168 -8.510 1.00 0.00 O ATOM 257 CB VAL A 22 -0.440 5.792 -9.728 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.895 4.785 -10.773 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.298 7.048 -9.777 1.00 0.00 C ATOM 0 H VAL A 22 0.578 3.357 -8.298 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.473 5.964 -7.577 1.00 0.00 H new ATOM 0 HB VAL A 22 0.589 6.073 -9.953 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.860 5.245 -11.761 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.236 3.917 -10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.916 4.471 -10.555 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.258 7.477 -10.778 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.329 6.794 -9.532 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.922 7.774 -9.056 1.00 0.00 H new ATOM 269 N ILE A 23 -2.809 4.994 -7.672 1.00 0.00 N ATOM 270 CA ILE A 23 -4.092 4.329 -7.483 1.00 0.00 C ATOM 271 C ILE A 23 -4.838 4.187 -8.806 1.00 0.00 C ATOM 272 O ILE A 23 -5.558 5.093 -9.223 1.00 0.00 O ATOM 273 CB ILE A 23 -4.981 5.094 -6.485 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.303 5.164 -5.115 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.345 4.430 -6.374 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.390 3.873 -4.332 1.00 0.00 C ATOM 0 H ILE A 23 -2.796 5.974 -7.388 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.878 3.339 -7.081 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.123 6.111 -6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.254 5.427 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.760 5.964 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.962 4.982 -5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.829 4.427 -7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.223 3.404 -6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.889 3.995 -3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.437 3.619 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.907 3.073 -4.894 1.00 0.00 H new ATOM 288 N GLU A 24 -4.661 3.043 -9.459 1.00 0.00 N ATOM 289 CA GLU A 24 -5.319 2.782 -10.734 1.00 0.00 C ATOM 290 C GLU A 24 -6.826 2.635 -10.548 1.00 0.00 C ATOM 291 O GLU A 24 -7.614 3.122 -11.359 1.00 0.00 O ATOM 292 CB GLU A 24 -4.747 1.518 -11.379 1.00 0.00 C ATOM 293 CG GLU A 24 -5.152 1.340 -12.833 1.00 0.00 C ATOM 294 CD GLU A 24 -4.945 2.597 -13.655 1.00 0.00 C ATOM 295 OE1 GLU A 24 -5.859 3.448 -13.677 1.00 0.00 O ATOM 296 OE2 GLU A 24 -3.870 2.731 -14.275 1.00 0.00 O ATOM 0 H GLU A 24 -4.068 2.283 -9.127 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.133 3.632 -11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.659 1.548 -11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.076 0.649 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.574 0.526 -13.270 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.201 1.048 -12.881 1.00 0.00 H new ATOM 303 N LYS A 25 -7.221 1.957 -9.475 1.00 0.00 N ATOM 304 CA LYS A 25 -8.633 1.744 -9.181 1.00 0.00 C ATOM 305 C LYS A 25 -8.890 1.803 -7.678 1.00 0.00 C ATOM 306 O LYS A 25 -7.991 1.555 -6.874 1.00 0.00 O ATOM 307 CB LYS A 25 -9.092 0.394 -9.735 1.00 0.00 C ATOM 308 CG LYS A 25 -10.534 0.392 -10.214 1.00 0.00 C ATOM 309 CD LYS A 25 -11.486 -0.042 -9.112 1.00 0.00 C ATOM 310 CE LYS A 25 -12.889 0.498 -9.344 1.00 0.00 C ATOM 311 NZ LYS A 25 -13.582 -0.213 -10.454 1.00 0.00 N ATOM 0 H LYS A 25 -6.582 1.546 -8.794 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.203 2.539 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.442 0.111 -10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.973 -0.366 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.805 1.390 -10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.634 -0.278 -11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.517 -1.131 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.114 0.309 -8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.472 0.398 -8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.835 1.562 -9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.535 0.185 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.039 -0.096 -11.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.657 -1.225 -10.225 1.00 0.00 H new ATOM 325 N LEU A 26 -10.122 2.133 -7.306 1.00 0.00 N ATOM 326 CA LEU A 26 -10.498 2.223 -5.899 1.00 0.00 C ATOM 327 C LEU A 26 -11.952 1.810 -5.697 1.00 0.00 C ATOM 328 O LEU A 26 -12.831 2.195 -6.470 1.00 0.00 O ATOM 329 CB LEU A 26 -10.283 3.647 -5.384 1.00 0.00 C ATOM 330 CG LEU A 26 -10.150 3.799 -3.868 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.699 3.647 -3.442 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.703 5.143 -3.417 1.00 0.00 C ATOM 0 H LEU A 26 -10.877 2.343 -7.959 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.864 1.540 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.383 4.048 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.117 4.263 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.731 3.011 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.624 3.758 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.336 2.661 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.095 4.413 -3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.600 5.234 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.149 5.946 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.756 5.213 -3.689 1.00 0.00 H new ATOM 344 N LEU A 27 -12.200 1.027 -4.653 1.00 0.00 N ATOM 345 CA LEU A 27 -13.549 0.564 -4.347 1.00 0.00 C ATOM 346 C LEU A 27 -13.912 0.865 -2.897 1.00 0.00 C ATOM 347 O LEU A 27 -13.153 1.515 -2.177 1.00 0.00 O ATOM 348 CB LEU A 27 -13.666 -0.938 -4.613 1.00 0.00 C ATOM 349 CG LEU A 27 -13.329 -1.397 -6.032 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.826 -1.567 -6.195 1.00 0.00 C ATOM 351 CD2 LEU A 27 -14.053 -2.695 -6.359 1.00 0.00 C ATOM 0 H LEU A 27 -11.485 0.699 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.245 1.097 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.010 -1.462 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.686 -1.249 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.665 -0.631 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.605 -1.894 -7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.329 -0.616 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.465 -2.313 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.801 -3.007 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.748 -3.469 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.129 -2.540 -6.284 1.00 0.00 H new ATOM 363 N THR A 28 -15.078 0.387 -2.472 1.00 0.00 N ATOM 364 CA THR A 28 -15.542 0.604 -1.108 1.00 0.00 C ATOM 365 C THR A 28 -14.899 -0.388 -0.145 1.00 0.00 C ATOM 366 O THR A 28 -14.821 -0.138 1.058 1.00 0.00 O ATOM 367 CB THR A 28 -17.074 0.479 -1.009 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.700 1.536 -1.746 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.528 0.528 0.442 1.00 0.00 C ATOM 0 H THR A 28 -15.718 -0.153 -3.054 1.00 0.00 H new ATOM 0 HA THR A 28 -15.249 1.617 -0.832 1.00 0.00 H new ATOM 0 HB THR A 28 -17.367 -0.482 -1.432 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.674 1.449 -1.680 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.613 0.438 0.487 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.073 -0.294 0.994 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.224 1.476 0.887 1.00 0.00 H new ATOM 377 N SER A 29 -14.440 -1.514 -0.681 1.00 0.00 N ATOM 378 CA SER A 29 -13.807 -2.546 0.132 1.00 0.00 C ATOM 379 C SER A 29 -12.287 -2.451 0.043 1.00 0.00 C ATOM 380 O SER A 29 -11.584 -2.617 1.040 1.00 0.00 O ATOM 381 CB SER A 29 -14.270 -3.933 -0.315 1.00 0.00 C ATOM 382 OG SER A 29 -15.554 -4.235 0.205 1.00 0.00 O ATOM 0 H SER A 29 -14.495 -1.735 -1.675 1.00 0.00 H new ATOM 0 HA SER A 29 -14.103 -2.389 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.296 -3.978 -1.404 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.554 -4.684 0.018 1.00 0.00 H new ATOM 0 HG SER A 29 -15.828 -5.126 -0.097 1.00 0.00 H new ATOM 388 N TYR A 30 -11.787 -2.183 -1.158 1.00 0.00 N ATOM 389 CA TYR A 30 -10.351 -2.069 -1.380 1.00 0.00 C ATOM 390 C TYR A 30 -10.057 -1.298 -2.664 1.00 0.00 C ATOM 391 O TYR A 30 -10.968 -0.800 -3.324 1.00 0.00 O ATOM 392 CB TYR A 30 -9.712 -3.457 -1.448 1.00 0.00 C ATOM 393 CG TYR A 30 -10.546 -4.472 -2.196 1.00 0.00 C ATOM 394 CD1 TYR A 30 -11.256 -4.112 -3.335 1.00 0.00 C ATOM 395 CD2 TYR A 30 -10.626 -5.789 -1.764 1.00 0.00 C ATOM 396 CE1 TYR A 30 -12.020 -5.036 -4.022 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.386 -6.720 -2.445 1.00 0.00 C ATOM 398 CZ TYR A 30 -12.082 -6.338 -3.573 1.00 0.00 C ATOM 399 OH TYR A 30 -12.842 -7.262 -4.253 1.00 0.00 O ATOM 0 H TYR A 30 -12.355 -2.041 -1.993 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.923 -1.520 -0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.737 -3.376 -1.928 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.539 -3.818 -0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.210 -3.093 -3.689 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.084 -6.091 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.566 -4.740 -4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.435 -7.741 -2.096 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.777 -8.132 -3.806 1.00 0.00 H new ATOM 409 N GLY A 31 -8.777 -1.205 -3.012 1.00 0.00 N ATOM 410 CA GLY A 31 -8.385 -0.495 -4.215 1.00 0.00 C ATOM 411 C GLY A 31 -7.118 -1.054 -4.831 1.00 0.00 C ATOM 412 O GLY A 31 -6.362 -1.769 -4.173 1.00 0.00 O ATOM 0 H GLY A 31 -8.005 -1.609 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.194 -0.548 -4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.236 0.559 -3.979 1.00 0.00 H new ATOM 416 N PHE A 32 -6.884 -0.729 -6.098 1.00 0.00 N ATOM 417 CA PHE A 32 -5.701 -1.205 -6.804 1.00 0.00 C ATOM 418 C PHE A 32 -4.691 -0.078 -6.996 1.00 0.00 C ATOM 419 O PHE A 32 -5.066 1.076 -7.208 1.00 0.00 O ATOM 420 CB PHE A 32 -6.092 -1.792 -8.162 1.00 0.00 C ATOM 421 CG PHE A 32 -7.041 -2.952 -8.063 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.373 -2.749 -7.737 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.602 -4.245 -8.296 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.247 -3.815 -7.645 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.472 -5.315 -8.205 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.797 -5.099 -7.880 1.00 0.00 C ATOM 0 H PHE A 32 -7.499 -0.137 -6.657 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.238 -1.985 -6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.549 -1.010 -8.769 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.190 -2.114 -8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.731 -1.747 -7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.567 -4.419 -8.552 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.282 -3.644 -7.389 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.116 -6.318 -8.388 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.480 -5.933 -7.810 1.00 0.00 H new ATOM 436 N ILE A 33 -3.409 -0.420 -6.920 1.00 0.00 N ATOM 437 CA ILE A 33 -2.346 0.563 -7.086 1.00 0.00 C ATOM 438 C ILE A 33 -1.366 0.135 -8.174 1.00 0.00 C ATOM 439 O ILE A 33 -0.619 -0.828 -8.004 1.00 0.00 O ATOM 440 CB ILE A 33 -1.573 0.784 -5.773 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.492 1.391 -4.711 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.367 1.680 -6.012 1.00 0.00 C ATOM 443 CD1 ILE A 33 -2.065 1.080 -3.293 1.00 0.00 C ATOM 0 H ILE A 33 -3.082 -1.370 -6.745 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.824 1.498 -7.378 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.218 -0.181 -5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.523 2.472 -4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.506 1.022 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.169 1.827 -5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.296 1.211 -6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.701 2.645 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.762 1.542 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.062 0.000 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.063 1.473 -3.120 1.00 0.00 H new ATOM 455 N GLN A 34 -1.375 0.858 -9.289 1.00 0.00 N ATOM 456 CA GLN A 34 -0.486 0.553 -10.403 1.00 0.00 C ATOM 457 C GLN A 34 0.924 1.068 -10.132 1.00 0.00 C ATOM 458 O GLN A 34 1.225 2.237 -10.375 1.00 0.00 O ATOM 459 CB GLN A 34 -1.026 1.166 -11.697 1.00 0.00 C ATOM 460 CG GLN A 34 -0.085 1.015 -12.881 1.00 0.00 C ATOM 461 CD GLN A 34 -0.402 -0.203 -13.727 1.00 0.00 C ATOM 462 OE1 GLN A 34 0.113 -1.357 -13.321 1.00 0.00 O flip ATOM 463 NE2 GLN A 34 -1.103 -0.107 -14.735 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.988 1.658 -9.445 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.442 -0.531 -10.513 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.980 0.698 -11.940 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.223 2.225 -11.533 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.142 1.909 -13.502 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.940 0.944 -12.518 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.478 0.800 -15.011 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.308 -0.935 -15.294 1.00 0.00 H new ATOM 472 N CYS A 35 1.783 0.189 -9.628 1.00 0.00 N ATOM 473 CA CYS A 35 3.161 0.556 -9.322 1.00 0.00 C ATOM 474 C CYS A 35 3.788 1.328 -10.479 1.00 0.00 C ATOM 475 O CYS A 35 3.597 0.982 -11.645 1.00 0.00 O ATOM 476 CB CYS A 35 3.988 -0.695 -9.020 1.00 0.00 C ATOM 477 SG CYS A 35 3.187 -1.854 -7.887 1.00 0.00 S ATOM 0 H CYS A 35 1.550 -0.782 -9.423 1.00 0.00 H new ATOM 0 HA CYS A 35 3.153 1.199 -8.442 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.204 -1.210 -9.956 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.945 -0.391 -8.595 1.00 0.00 H new ATOM 0 HG CYS A 35 2.211 -2.456 -8.500 1.00 0.00 H new ATOM 483 N SER A 36 4.535 2.376 -10.148 1.00 0.00 N ATOM 484 CA SER A 36 5.185 3.201 -11.160 1.00 0.00 C ATOM 485 C SER A 36 6.647 2.801 -11.329 1.00 0.00 C ATOM 486 O SER A 36 7.313 3.229 -12.271 1.00 0.00 O ATOM 487 CB SER A 36 5.090 4.680 -10.780 1.00 0.00 C ATOM 488 OG SER A 36 3.768 5.164 -10.940 1.00 0.00 O ATOM 0 H SER A 36 4.705 2.674 -9.188 1.00 0.00 H new ATOM 0 HA SER A 36 4.671 3.043 -12.108 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.407 4.814 -9.746 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.771 5.262 -11.400 1.00 0.00 H new ATOM 0 HG SER A 36 3.734 6.111 -10.689 1.00 0.00 H new ATOM 494 N GLU A 37 7.139 1.976 -10.410 1.00 0.00 N ATOM 495 CA GLU A 37 8.522 1.518 -10.457 1.00 0.00 C ATOM 496 C GLU A 37 8.620 0.149 -11.125 1.00 0.00 C ATOM 497 O GLU A 37 9.502 -0.090 -11.950 1.00 0.00 O ATOM 498 CB GLU A 37 9.110 1.452 -9.046 1.00 0.00 C ATOM 499 CG GLU A 37 8.912 2.728 -8.245 1.00 0.00 C ATOM 500 CD GLU A 37 10.003 2.944 -7.214 1.00 0.00 C ATOM 501 OE1 GLU A 37 11.191 2.941 -7.599 1.00 0.00 O ATOM 502 OE2 GLU A 37 9.670 3.117 -6.023 1.00 0.00 O ATOM 0 H GLU A 37 6.600 1.611 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 37 9.094 2.233 -11.048 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.652 0.621 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.177 1.238 -9.115 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.886 3.579 -8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.945 2.691 -7.743 1.00 0.00 H new ATOM 509 N ARG A 38 7.708 -0.747 -10.761 1.00 0.00 N ATOM 510 CA ARG A 38 7.691 -2.092 -11.323 1.00 0.00 C ATOM 511 C ARG A 38 6.667 -2.199 -12.448 1.00 0.00 C ATOM 512 O ARG A 38 6.653 -3.176 -13.197 1.00 0.00 O ATOM 513 CB ARG A 38 7.377 -3.119 -10.233 1.00 0.00 C ATOM 514 CG ARG A 38 5.996 -2.953 -9.620 1.00 0.00 C ATOM 515 CD ARG A 38 5.654 -4.112 -8.697 1.00 0.00 C ATOM 516 NE ARG A 38 6.537 -4.165 -7.535 1.00 0.00 N ATOM 517 CZ ARG A 38 6.647 -5.226 -6.743 1.00 0.00 C ATOM 518 NH1 ARG A 38 5.934 -6.316 -6.988 1.00 0.00 N ATOM 519 NH2 ARG A 38 7.473 -5.197 -5.705 1.00 0.00 N ATOM 0 H ARG A 38 6.971 -0.565 -10.079 1.00 0.00 H new ATOM 0 HA ARG A 38 8.679 -2.299 -11.734 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.460 -4.121 -10.655 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.127 -3.041 -9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.954 -2.018 -9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.251 -2.885 -10.412 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.621 -4.017 -8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.725 -5.049 -9.250 1.00 0.00 H new ATOM 0 HE ARG A 38 7.100 -3.342 -7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.299 -6.341 -7.786 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.020 -7.129 -6.379 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.024 -4.360 -5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.557 -6.012 -5.097 1.00 0.00 H new ATOM 533 N GLN A 39 5.810 -1.189 -12.560 1.00 0.00 N ATOM 534 CA GLN A 39 4.781 -1.171 -13.593 1.00 0.00 C ATOM 535 C GLN A 39 3.869 -2.387 -13.473 1.00 0.00 C ATOM 536 O GLN A 39 3.681 -3.131 -14.435 1.00 0.00 O ATOM 537 CB GLN A 39 5.423 -1.134 -14.981 1.00 0.00 C ATOM 538 CG GLN A 39 5.813 0.263 -15.434 1.00 0.00 C ATOM 539 CD GLN A 39 6.287 0.299 -16.874 1.00 0.00 C ATOM 540 OE1 GLN A 39 6.816 -0.686 -17.390 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.099 1.437 -17.531 1.00 0.00 N ATOM 0 H GLN A 39 5.808 -0.373 -11.948 1.00 0.00 H new ATOM 0 HA GLN A 39 4.178 -0.273 -13.456 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.310 -1.767 -14.979 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.729 -1.561 -15.705 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.958 0.930 -15.320 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.602 0.644 -14.786 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.656 2.228 -17.064 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.397 1.520 -18.503 1.00 0.00 H new ATOM 550 N ALA A 40 3.304 -2.582 -12.286 1.00 0.00 N ATOM 551 CA ALA A 40 2.410 -3.707 -12.042 1.00 0.00 C ATOM 552 C ALA A 40 1.198 -3.277 -11.222 1.00 0.00 C ATOM 553 O ALA A 40 1.325 -2.523 -10.257 1.00 0.00 O ATOM 554 CB ALA A 40 3.155 -4.830 -11.336 1.00 0.00 C ATOM 0 H ALA A 40 3.450 -1.976 -11.479 1.00 0.00 H new ATOM 0 HA ALA A 40 2.054 -4.072 -13.006 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.475 -5.664 -11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.985 -5.164 -11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.540 -4.468 -10.382 1.00 0.00 H new ATOM 560 N ARG A 41 0.023 -3.760 -11.614 1.00 0.00 N ATOM 561 CA ARG A 41 -1.212 -3.423 -10.916 1.00 0.00 C ATOM 562 C ARG A 41 -1.326 -4.198 -9.606 1.00 0.00 C ATOM 563 O ARG A 41 -1.689 -5.375 -9.598 1.00 0.00 O ATOM 564 CB ARG A 41 -2.422 -3.721 -11.804 1.00 0.00 C ATOM 565 CG ARG A 41 -2.816 -2.562 -12.705 1.00 0.00 C ATOM 566 CD ARG A 41 -3.872 -2.978 -13.717 1.00 0.00 C ATOM 567 NE ARG A 41 -3.401 -4.050 -14.591 1.00 0.00 N ATOM 568 CZ ARG A 41 -3.495 -5.340 -14.289 1.00 0.00 C ATOM 569 NH1 ARG A 41 -4.042 -5.716 -13.141 1.00 0.00 N ATOM 570 NH2 ARG A 41 -3.044 -6.256 -15.136 1.00 0.00 N ATOM 0 H ARG A 41 -0.099 -4.385 -12.410 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.191 -2.358 -10.687 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.203 -4.592 -12.422 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.270 -3.983 -11.172 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.196 -1.740 -12.098 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.935 -2.191 -13.228 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.768 -3.307 -13.191 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.155 -2.116 -14.321 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.977 -3.794 -15.482 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.391 -5.014 -12.488 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.113 -6.707 -12.911 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.624 -5.970 -16.021 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.117 -7.246 -14.903 1.00 0.00 H new ATOM 584 N LEU A 42 -1.012 -3.531 -8.501 1.00 0.00 N ATOM 585 CA LEU A 42 -1.078 -4.157 -7.185 1.00 0.00 C ATOM 586 C LEU A 42 -2.480 -4.040 -6.597 1.00 0.00 C ATOM 587 O LEU A 42 -3.299 -3.252 -7.069 1.00 0.00 O ATOM 588 CB LEU A 42 -0.061 -3.513 -6.241 1.00 0.00 C ATOM 589 CG LEU A 42 1.333 -4.141 -6.227 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.184 -3.528 -5.125 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.237 -5.649 -6.053 1.00 0.00 C ATOM 0 H LEU A 42 -0.709 -2.557 -8.490 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.839 -5.214 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.039 -2.461 -6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.463 -3.547 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 42 1.812 -3.936 -7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.172 -3.987 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.281 -2.456 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.709 -3.701 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.239 -6.079 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.738 -5.876 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.666 -6.075 -6.878 1.00 0.00 H new ATOM 603 N PHE A 43 -2.749 -4.829 -5.561 1.00 0.00 N ATOM 604 CA PHE A 43 -4.052 -4.813 -4.907 1.00 0.00 C ATOM 605 C PHE A 43 -3.914 -4.461 -3.429 1.00 0.00 C ATOM 606 O PHE A 43 -3.433 -5.264 -2.629 1.00 0.00 O ATOM 607 CB PHE A 43 -4.738 -6.173 -5.056 1.00 0.00 C ATOM 608 CG PHE A 43 -5.609 -6.537 -3.888 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.500 -5.617 -3.359 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.537 -7.798 -3.320 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.303 -5.949 -2.284 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.337 -8.136 -2.244 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.222 -7.210 -1.727 1.00 0.00 C ATOM 0 H PHE A 43 -2.082 -5.487 -5.157 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.663 -4.050 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.343 -6.168 -5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.977 -6.943 -5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.568 -4.630 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.848 -8.526 -3.722 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.993 -5.223 -1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.270 -9.122 -1.809 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.850 -7.472 -0.888 1.00 0.00 H new ATOM 623 N PHE A 44 -4.339 -3.253 -3.072 1.00 0.00 N ATOM 624 CA PHE A 44 -4.261 -2.792 -1.691 1.00 0.00 C ATOM 625 C PHE A 44 -5.634 -2.835 -1.026 1.00 0.00 C ATOM 626 O PHE A 44 -6.649 -2.525 -1.650 1.00 0.00 O ATOM 627 CB PHE A 44 -3.700 -1.369 -1.637 1.00 0.00 C ATOM 628 CG PHE A 44 -4.760 -0.305 -1.669 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.323 0.166 -0.494 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.192 0.224 -2.875 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.298 1.145 -0.522 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.167 1.203 -2.908 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.720 1.665 -1.730 1.00 0.00 C ATOM 0 H PHE A 44 -4.741 -2.576 -3.720 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.592 -3.460 -1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.109 -1.254 -0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.023 -1.222 -2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.997 -0.236 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.762 -0.133 -3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.730 1.503 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.496 1.606 -3.854 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.481 2.431 -1.753 1.00 0.00 H new ATOM 643 N HIS A 45 -5.657 -3.222 0.246 1.00 0.00 N ATOM 644 CA HIS A 45 -6.904 -3.306 0.997 1.00 0.00 C ATOM 645 C HIS A 45 -7.145 -2.028 1.795 1.00 0.00 C ATOM 646 O HIS A 45 -6.210 -1.442 2.342 1.00 0.00 O ATOM 647 CB HIS A 45 -6.878 -4.512 1.937 1.00 0.00 C ATOM 648 CG HIS A 45 -8.206 -5.189 2.079 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.375 -4.506 2.340 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.546 -6.496 1.994 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.377 -5.365 2.411 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.901 -6.579 2.204 1.00 0.00 N ATOM 0 H HIS A 45 -4.826 -3.482 0.778 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.721 -3.428 0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.149 -5.234 1.569 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.537 -4.188 2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.877 -7.320 1.798 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.410 -5.116 2.605 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.450 -7.439 2.201 1.00 0.00 H new ATOM 661 N CYS A 46 -8.402 -1.603 1.858 1.00 0.00 N ATOM 662 CA CYS A 46 -8.764 -0.394 2.588 1.00 0.00 C ATOM 663 C CYS A 46 -8.208 -0.429 4.008 1.00 0.00 C ATOM 664 O CYS A 46 -8.132 0.599 4.681 1.00 0.00 O ATOM 665 CB CYS A 46 -10.285 -0.233 2.627 1.00 0.00 C ATOM 666 SG CYS A 46 -11.021 0.210 1.036 1.00 0.00 S ATOM 0 H CYS A 46 -9.187 -2.078 1.412 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.329 0.459 2.068 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.730 -1.166 2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.540 0.533 3.359 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.309 0.321 1.170 1.00 0.00 H new ATOM 672 N SER A 47 -7.822 -1.619 4.457 1.00 0.00 N ATOM 673 CA SER A 47 -7.278 -1.789 5.800 1.00 0.00 C ATOM 674 C SER A 47 -5.806 -1.391 5.844 1.00 0.00 C ATOM 675 O SER A 47 -5.309 -0.924 6.868 1.00 0.00 O ATOM 676 CB SER A 47 -7.440 -3.240 6.258 1.00 0.00 C ATOM 677 OG SER A 47 -7.513 -3.323 7.671 1.00 0.00 O ATOM 0 H SER A 47 -7.876 -2.479 3.911 1.00 0.00 H new ATOM 0 HA SER A 47 -7.833 -1.138 6.476 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.342 -3.665 5.818 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.600 -3.834 5.898 1.00 0.00 H new ATOM 0 HG SER A 47 -7.618 -4.260 7.939 1.00 0.00 H new ATOM 683 N GLN A 48 -5.115 -1.578 4.724 1.00 0.00 N ATOM 684 CA GLN A 48 -3.700 -1.240 4.634 1.00 0.00 C ATOM 685 C GLN A 48 -3.482 0.253 4.857 1.00 0.00 C ATOM 686 O GLN A 48 -2.642 0.655 5.663 1.00 0.00 O ATOM 687 CB GLN A 48 -3.140 -1.651 3.271 1.00 0.00 C ATOM 688 CG GLN A 48 -3.379 -3.113 2.932 1.00 0.00 C ATOM 689 CD GLN A 48 -2.908 -4.051 4.027 1.00 0.00 C ATOM 690 OE1 GLN A 48 -2.084 -3.682 4.864 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.432 -5.271 4.027 1.00 0.00 N ATOM 0 H GLN A 48 -5.512 -1.962 3.867 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.172 -1.787 5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.592 -1.029 2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.068 -1.453 3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.443 -3.272 2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.862 -3.356 2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.112 -5.534 3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.154 -5.945 4.740 1.00 0.00 H new ATOM 700 N TYR A 49 -4.243 1.071 4.138 1.00 0.00 N ATOM 701 CA TYR A 49 -4.132 2.520 4.255 1.00 0.00 C ATOM 702 C TYR A 49 -4.339 2.967 5.699 1.00 0.00 C ATOM 703 O TYR A 49 -5.415 2.788 6.267 1.00 0.00 O ATOM 704 CB TYR A 49 -5.152 3.206 3.345 1.00 0.00 C ATOM 705 CG TYR A 49 -4.963 4.703 3.245 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.695 5.256 3.118 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.054 5.563 3.276 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.519 6.623 3.026 1.00 0.00 C ATOM 709 CE2 TYR A 49 -5.887 6.932 3.184 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.617 7.457 3.060 1.00 0.00 C ATOM 711 OH TYR A 49 -4.445 8.819 2.968 1.00 0.00 O ATOM 0 H TYR A 49 -4.944 0.755 3.468 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.128 2.808 3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.086 2.772 2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.155 2.999 3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.833 4.606 3.091 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.049 5.155 3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.526 7.037 2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.745 7.587 3.209 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.318 9.262 3.007 1.00 0.00 H new ATOM 721 N ASN A 50 -3.299 3.551 6.285 1.00 0.00 N ATOM 722 CA ASN A 50 -3.366 4.025 7.663 1.00 0.00 C ATOM 723 C ASN A 50 -4.039 5.392 7.736 1.00 0.00 C ATOM 724 O ASN A 50 -4.151 5.984 8.808 1.00 0.00 O ATOM 725 CB ASN A 50 -1.962 4.103 8.266 1.00 0.00 C ATOM 726 CG ASN A 50 -1.445 2.746 8.704 1.00 0.00 C ATOM 727 OD1 ASN A 50 -2.127 2.010 9.418 1.00 0.00 O ATOM 728 ND2 ASN A 50 -0.234 2.408 8.277 1.00 0.00 N ATOM 0 H ASN A 50 -2.401 3.707 5.828 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.962 3.315 8.237 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.278 4.530 7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.974 4.778 9.122 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.166 1.507 8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.296 3.049 7.687 1.00 0.00 H new ATOM 735 N GLY A 51 -4.486 5.888 6.586 1.00 0.00 N ATOM 736 CA GLY A 51 -5.143 7.181 6.541 1.00 0.00 C ATOM 737 C GLY A 51 -6.651 7.062 6.439 1.00 0.00 C ATOM 738 O GLY A 51 -7.244 6.129 6.977 1.00 0.00 O ATOM 0 H GLY A 51 -4.405 5.417 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.886 7.747 7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.768 7.746 5.688 1.00 0.00 H new ATOM 742 N ASN A 52 -7.272 8.012 5.748 1.00 0.00 N ATOM 743 CA ASN A 52 -8.721 8.011 5.579 1.00 0.00 C ATOM 744 C ASN A 52 -9.098 7.799 4.116 1.00 0.00 C ATOM 745 O ASN A 52 -8.938 8.695 3.286 1.00 0.00 O ATOM 746 CB ASN A 52 -9.315 9.327 6.085 1.00 0.00 C ATOM 747 CG ASN A 52 -10.813 9.238 6.307 1.00 0.00 C ATOM 748 OD1 ASN A 52 -11.488 8.387 5.728 1.00 0.00 O ATOM 749 ND2 ASN A 52 -11.339 10.120 7.149 1.00 0.00 N ATOM 0 H ASN A 52 -6.795 8.792 5.296 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.130 7.187 6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.828 9.607 7.019 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.103 10.118 5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.341 10.110 7.338 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.741 10.808 7.607 1.00 0.00 H new ATOM 756 N LEU A 53 -9.601 6.609 3.808 1.00 0.00 N ATOM 757 CA LEU A 53 -10.002 6.278 2.445 1.00 0.00 C ATOM 758 C LEU A 53 -10.677 7.469 1.771 1.00 0.00 C ATOM 759 O LEU A 53 -10.463 7.727 0.587 1.00 0.00 O ATOM 760 CB LEU A 53 -10.949 5.076 2.448 1.00 0.00 C ATOM 761 CG LEU A 53 -10.292 3.704 2.293 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.635 3.579 0.927 1.00 0.00 C ATOM 763 CD2 LEU A 53 -9.274 3.472 3.400 1.00 0.00 C ATOM 0 H LEU A 53 -9.741 5.857 4.483 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.105 6.025 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.511 5.084 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.670 5.205 1.641 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.066 2.940 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.172 2.596 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.388 3.700 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.873 4.350 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.816 2.491 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.503 4.241 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.773 3.518 4.368 1.00 0.00 H new ATOM 775 N GLN A 54 -11.490 8.192 2.535 1.00 0.00 N ATOM 776 CA GLN A 54 -12.194 9.356 2.012 1.00 0.00 C ATOM 777 C GLN A 54 -11.231 10.299 1.298 1.00 0.00 C ATOM 778 O GLN A 54 -11.504 10.758 0.188 1.00 0.00 O ATOM 779 CB GLN A 54 -12.907 10.098 3.144 1.00 0.00 C ATOM 780 CG GLN A 54 -14.176 9.408 3.619 1.00 0.00 C ATOM 781 CD GLN A 54 -14.913 10.205 4.677 1.00 0.00 C ATOM 782 OE1 GLN A 54 -14.312 10.692 5.635 1.00 0.00 O ATOM 783 NE2 GLN A 54 -16.223 10.344 4.508 1.00 0.00 N ATOM 0 H GLN A 54 -11.677 7.992 3.518 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.934 9.008 1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.223 10.202 3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.155 11.105 2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.836 9.244 2.767 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.923 8.426 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -16.680 9.923 3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.772 10.871 5.187 1.00 0.00 H new ATOM 792 N ASP A 55 -10.105 10.585 1.942 1.00 0.00 N ATOM 793 CA ASP A 55 -9.100 11.473 1.368 1.00 0.00 C ATOM 794 C ASP A 55 -8.427 10.825 0.162 1.00 0.00 C ATOM 795 O ASP A 55 -8.000 11.511 -0.768 1.00 0.00 O ATOM 796 CB ASP A 55 -8.051 11.838 2.419 1.00 0.00 C ATOM 797 CG ASP A 55 -7.285 13.096 2.060 1.00 0.00 C ATOM 798 OD1 ASP A 55 -7.286 13.472 0.868 1.00 0.00 O ATOM 799 OD2 ASP A 55 -6.685 13.706 2.970 1.00 0.00 O ATOM 0 H ASP A 55 -9.865 10.215 2.862 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.601 12.382 1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.540 11.977 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.351 11.010 2.533 1.00 0.00 H new ATOM 804 N LEU A 56 -8.334 9.500 0.185 1.00 0.00 N ATOM 805 CA LEU A 56 -7.711 8.758 -0.906 1.00 0.00 C ATOM 806 C LEU A 56 -8.598 8.767 -2.147 1.00 0.00 C ATOM 807 O LEU A 56 -9.813 8.941 -2.054 1.00 0.00 O ATOM 808 CB LEU A 56 -7.432 7.317 -0.475 1.00 0.00 C ATOM 809 CG LEU A 56 -6.248 6.630 -1.156 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.986 7.465 -1.004 1.00 0.00 C ATOM 811 CD2 LEU A 56 -6.039 5.236 -0.584 1.00 0.00 C ATOM 0 H LEU A 56 -8.682 8.917 0.947 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.768 9.246 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.262 7.307 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.327 6.723 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.470 6.535 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.154 6.960 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.139 8.442 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.759 7.592 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.192 4.762 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.839 5.308 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.936 4.638 -0.746 1.00 0.00 H new ATOM 823 N LYS A 57 -7.983 8.576 -3.309 1.00 0.00 N ATOM 824 CA LYS A 57 -8.715 8.558 -4.569 1.00 0.00 C ATOM 825 C LYS A 57 -7.878 7.927 -5.677 1.00 0.00 C ATOM 826 O LYS A 57 -6.685 7.676 -5.501 1.00 0.00 O ATOM 827 CB LYS A 57 -9.120 9.979 -4.968 1.00 0.00 C ATOM 828 CG LYS A 57 -7.975 10.976 -4.912 1.00 0.00 C ATOM 829 CD LYS A 57 -8.420 12.362 -5.345 1.00 0.00 C ATOM 830 CE LYS A 57 -8.921 13.181 -4.165 1.00 0.00 C ATOM 831 NZ LYS A 57 -7.820 13.944 -3.513 1.00 0.00 N ATOM 0 H LYS A 57 -6.978 8.431 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.613 7.956 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.526 9.962 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.919 10.319 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.580 11.020 -3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.164 10.636 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.588 12.880 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.210 12.275 -6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.692 13.873 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.386 12.519 -3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.201 14.489 -2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.097 13.282 -3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.392 14.594 -4.203 1.00 0.00 H new ATOM 845 N VAL A 58 -8.509 7.674 -6.819 1.00 0.00 N ATOM 846 CA VAL A 58 -7.821 7.075 -7.956 1.00 0.00 C ATOM 847 C VAL A 58 -7.067 8.128 -8.760 1.00 0.00 C ATOM 848 O VAL A 58 -7.667 9.050 -9.312 1.00 0.00 O ATOM 849 CB VAL A 58 -8.806 6.343 -8.887 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.076 5.761 -10.087 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.549 5.255 -8.125 1.00 0.00 C ATOM 0 H VAL A 58 -9.496 7.875 -6.981 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.111 6.354 -7.551 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.537 7.064 -9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.789 5.248 -10.733 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.594 6.564 -10.644 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.321 5.053 -9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.241 4.748 -8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.833 4.534 -7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.106 5.703 -7.302 1.00 0.00 H new ATOM 861 N GLY A 59 -5.746 7.985 -8.822 1.00 0.00 N ATOM 862 CA GLY A 59 -4.932 8.932 -9.561 1.00 0.00 C ATOM 863 C GLY A 59 -4.049 9.768 -8.656 1.00 0.00 C ATOM 864 O GLY A 59 -3.582 10.837 -9.048 1.00 0.00 O ATOM 0 H GLY A 59 -5.226 7.231 -8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.309 8.392 -10.274 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.581 9.590 -10.139 1.00 0.00 H new ATOM 868 N ASP A 60 -3.822 9.282 -7.441 1.00 0.00 N ATOM 869 CA ASP A 60 -2.991 9.993 -6.476 1.00 0.00 C ATOM 870 C ASP A 60 -1.834 9.116 -6.006 1.00 0.00 C ATOM 871 O ASP A 60 -2.037 7.978 -5.582 1.00 0.00 O ATOM 872 CB ASP A 60 -3.830 10.438 -5.278 1.00 0.00 C ATOM 873 CG ASP A 60 -4.817 11.532 -5.636 1.00 0.00 C ATOM 874 OD1 ASP A 60 -5.322 11.523 -6.778 1.00 0.00 O ATOM 875 OD2 ASP A 60 -5.084 12.397 -4.776 1.00 0.00 O ATOM 0 H ASP A 60 -4.202 8.399 -7.101 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.579 10.874 -6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.372 9.580 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.169 10.793 -4.487 1.00 0.00 H new ATOM 880 N ASP A 61 -0.622 9.653 -6.083 1.00 0.00 N ATOM 881 CA ASP A 61 0.568 8.920 -5.665 1.00 0.00 C ATOM 882 C ASP A 61 0.446 8.471 -4.213 1.00 0.00 C ATOM 883 O ASP A 61 -0.061 9.206 -3.365 1.00 0.00 O ATOM 884 CB ASP A 61 1.815 9.787 -5.842 1.00 0.00 C ATOM 885 CG ASP A 61 2.304 9.812 -7.277 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.782 10.626 -8.067 1.00 0.00 O ATOM 887 OD2 ASP A 61 3.209 9.018 -7.610 1.00 0.00 O ATOM 0 H ASP A 61 -0.437 10.594 -6.431 1.00 0.00 H new ATOM 0 HA ASP A 61 0.660 8.034 -6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.595 10.804 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.609 9.412 -5.197 1.00 0.00 H new ATOM 892 N VAL A 62 0.915 7.259 -3.932 1.00 0.00 N ATOM 893 CA VAL A 62 0.860 6.712 -2.582 1.00 0.00 C ATOM 894 C VAL A 62 1.985 5.710 -2.348 1.00 0.00 C ATOM 895 O VAL A 62 2.342 4.943 -3.242 1.00 0.00 O ATOM 896 CB VAL A 62 -0.491 6.022 -2.311 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.541 7.045 -1.907 1.00 0.00 C ATOM 898 CG2 VAL A 62 -0.942 5.236 -3.533 1.00 0.00 C ATOM 0 H VAL A 62 1.337 6.638 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 62 0.976 7.551 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.363 5.323 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.488 6.539 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.219 7.559 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.670 7.771 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.898 4.755 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.054 5.913 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.198 4.476 -3.772 1.00 0.00 H new ATOM 908 N GLU A 63 2.541 5.724 -1.140 1.00 0.00 N ATOM 909 CA GLU A 63 3.627 4.816 -0.790 1.00 0.00 C ATOM 910 C GLU A 63 3.103 3.621 0.002 1.00 0.00 C ATOM 911 O GLU A 63 2.332 3.780 0.949 1.00 0.00 O ATOM 912 CB GLU A 63 4.694 5.552 0.023 1.00 0.00 C ATOM 913 CG GLU A 63 6.034 4.837 0.057 1.00 0.00 C ATOM 914 CD GLU A 63 6.904 5.283 1.216 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.473 5.126 2.378 1.00 0.00 O ATOM 916 OE2 GLU A 63 8.017 5.790 0.961 1.00 0.00 O ATOM 0 H GLU A 63 2.258 6.353 -0.389 1.00 0.00 H new ATOM 0 HA GLU A 63 4.073 4.450 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.834 6.549 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.335 5.682 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.866 3.762 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.562 5.018 -0.879 1.00 0.00 H new ATOM 923 N PHE A 64 3.527 2.426 -0.393 1.00 0.00 N ATOM 924 CA PHE A 64 3.100 1.203 0.278 1.00 0.00 C ATOM 925 C PHE A 64 4.251 0.206 0.375 1.00 0.00 C ATOM 926 O PHE A 64 5.345 0.455 -0.130 1.00 0.00 O ATOM 927 CB PHE A 64 1.924 0.570 -0.469 1.00 0.00 C ATOM 928 CG PHE A 64 2.130 0.491 -1.955 1.00 0.00 C ATOM 929 CD1 PHE A 64 1.749 1.539 -2.777 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.704 -0.632 -2.529 1.00 0.00 C ATOM 931 CE1 PHE A 64 1.937 1.469 -4.145 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.895 -0.707 -3.895 1.00 0.00 C ATOM 933 CZ PHE A 64 2.510 0.344 -4.704 1.00 0.00 C ATOM 0 H PHE A 64 4.166 2.278 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 64 2.782 1.464 1.287 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.755 -0.434 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.022 1.147 -0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.300 2.421 -2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.005 -1.458 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.636 2.293 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.345 -1.587 -4.330 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.657 0.286 -5.772 1.00 0.00 H new ATOM 943 N GLU A 65 3.995 -0.923 1.028 1.00 0.00 N ATOM 944 CA GLU A 65 5.010 -1.957 1.192 1.00 0.00 C ATOM 945 C GLU A 65 4.576 -3.257 0.521 1.00 0.00 C ATOM 946 O GLU A 65 3.546 -3.835 0.869 1.00 0.00 O ATOM 947 CB GLU A 65 5.282 -2.204 2.678 1.00 0.00 C ATOM 948 CG GLU A 65 5.953 -3.538 2.960 1.00 0.00 C ATOM 949 CD GLU A 65 7.394 -3.577 2.491 1.00 0.00 C ATOM 950 OE1 GLU A 65 8.279 -3.135 3.252 1.00 0.00 O ATOM 951 OE2 GLU A 65 7.636 -4.050 1.360 1.00 0.00 O ATOM 0 H GLU A 65 3.094 -1.145 1.452 1.00 0.00 H new ATOM 0 HA GLU A 65 5.926 -1.610 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.912 -1.402 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.340 -2.158 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.918 -3.739 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.393 -4.333 2.468 1.00 0.00 H new ATOM 958 N VAL A 66 5.369 -3.711 -0.445 1.00 0.00 N ATOM 959 CA VAL A 66 5.068 -4.942 -1.166 1.00 0.00 C ATOM 960 C VAL A 66 5.405 -6.168 -0.324 1.00 0.00 C ATOM 961 O VAL A 66 6.558 -6.377 0.052 1.00 0.00 O ATOM 962 CB VAL A 66 5.842 -5.017 -2.495 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.537 -6.320 -3.218 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.510 -3.820 -3.373 1.00 0.00 C ATOM 0 H VAL A 66 6.225 -3.244 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 66 3.999 -4.932 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 66 6.909 -4.993 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.093 -6.355 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.830 -7.162 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.469 -6.378 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.066 -3.889 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.441 -3.810 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.785 -2.901 -2.855 1.00 0.00 H new ATOM 974 N SER A 67 4.390 -6.975 -0.032 1.00 0.00 N ATOM 975 CA SER A 67 4.577 -8.179 0.769 1.00 0.00 C ATOM 976 C SER A 67 3.919 -9.383 0.102 1.00 0.00 C ATOM 977 O SER A 67 3.285 -9.256 -0.946 1.00 0.00 O ATOM 978 CB SER A 67 4.000 -7.980 2.171 1.00 0.00 C ATOM 979 OG SER A 67 4.706 -8.751 3.128 1.00 0.00 O ATOM 0 H SER A 67 3.430 -6.817 -0.338 1.00 0.00 H new ATOM 0 HA SER A 67 5.647 -8.369 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.049 -6.925 2.441 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.947 -8.262 2.178 1.00 0.00 H new ATOM 0 HG SER A 67 4.319 -8.605 4.016 1.00 0.00 H new ATOM 985 N SER A 68 4.074 -10.551 0.717 1.00 0.00 N ATOM 986 CA SER A 68 3.498 -11.779 0.182 1.00 0.00 C ATOM 987 C SER A 68 2.453 -12.349 1.136 1.00 0.00 C ATOM 988 O SER A 68 2.748 -12.642 2.295 1.00 0.00 O ATOM 989 CB SER A 68 4.595 -12.815 -0.069 1.00 0.00 C ATOM 990 OG SER A 68 5.386 -13.011 1.091 1.00 0.00 O ATOM 0 H SER A 68 4.594 -10.673 1.586 1.00 0.00 H new ATOM 0 HA SER A 68 3.010 -11.541 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.144 -13.761 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.228 -12.487 -0.893 1.00 0.00 H new ATOM 0 HG SER A 68 4.815 -12.976 1.886 1.00 0.00 H new ATOM 996 N ASP A 69 1.230 -12.505 0.640 1.00 0.00 N ATOM 997 CA ASP A 69 0.140 -13.041 1.447 1.00 0.00 C ATOM 998 C ASP A 69 0.514 -14.399 2.032 1.00 0.00 C ATOM 999 O ASP A 69 1.606 -14.912 1.786 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.131 -13.167 0.605 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.378 -13.299 1.457 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.570 -12.462 2.364 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.163 -14.240 1.217 1.00 0.00 O ATOM 0 H ASP A 69 0.969 -12.268 -0.317 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.045 -12.350 2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.225 -12.293 -0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.047 -14.036 -0.048 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.398 -14.974 2.809 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.163 -16.271 3.431 1.00 0.00 C ATOM 1010 C ARG A 70 -0.939 -17.369 2.710 1.00 0.00 C ATOM 1011 O ARG A 70 -0.536 -18.533 2.713 1.00 0.00 O ATOM 1012 CB ARG A 70 -0.564 -16.233 4.907 1.00 0.00 C ATOM 1013 CG ARG A 70 -1.701 -15.268 5.204 1.00 0.00 C ATOM 1014 CD ARG A 70 -1.178 -13.886 5.564 1.00 0.00 C ATOM 1015 NE ARG A 70 0.124 -13.619 4.959 1.00 0.00 N ATOM 1016 CZ ARG A 70 0.890 -12.585 5.291 1.00 0.00 C ATOM 1017 NH1 ARG A 70 0.486 -11.727 6.217 1.00 0.00 N ATOM 1018 NH2 ARG A 70 2.063 -12.409 4.695 1.00 0.00 N ATOM 0 H ARG A 70 -1.306 -14.562 3.023 1.00 0.00 H new ATOM 0 HA ARG A 70 0.901 -16.494 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.857 -17.235 5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.304 -15.953 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.355 -15.196 4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.304 -15.656 6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.892 -13.131 5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -1.099 -13.799 6.648 1.00 0.00 H new ATOM 0 HE ARG A 70 0.464 -14.261 4.243 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.415 -11.859 6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.076 -10.934 6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.377 -13.067 3.982 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.651 -11.615 4.950 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.054 -16.991 2.094 1.00 0.00 N ATOM 1033 CA ARG A 71 -2.888 -17.944 1.371 1.00 0.00 C ATOM 1034 C ARG A 71 -2.436 -18.069 -0.081 1.00 0.00 C ATOM 1035 O ARG A 71 -2.063 -19.151 -0.537 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.355 -17.513 1.424 1.00 0.00 C ATOM 1037 CG ARG A 71 -4.850 -17.209 2.828 1.00 0.00 C ATOM 1038 CD ARG A 71 -6.364 -17.066 2.866 1.00 0.00 C ATOM 1039 NE ARG A 71 -6.811 -16.296 4.023 1.00 0.00 N ATOM 1040 CZ ARG A 71 -6.738 -16.738 5.274 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -6.237 -17.939 5.527 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -7.166 -15.978 6.274 1.00 0.00 N ATOM 0 H ARG A 71 -2.401 -16.032 2.081 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.785 -18.917 1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.488 -16.628 0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.972 -18.301 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.542 -18.006 3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.387 -16.290 3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.705 -16.579 1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.821 -18.055 2.890 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.201 -15.367 3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.907 -18.526 4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.182 -18.276 6.488 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.552 -15.053 6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.109 -16.319 7.234 1.00 0.00 H new ATOM 1056 N THR A 72 -2.471 -16.954 -0.805 1.00 0.00 N ATOM 1057 CA THR A 72 -2.066 -16.939 -2.205 1.00 0.00 C ATOM 1058 C THR A 72 -0.588 -16.597 -2.347 1.00 0.00 C ATOM 1059 O THR A 72 0.027 -16.870 -3.377 1.00 0.00 O ATOM 1060 CB THR A 72 -2.896 -15.927 -3.018 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.392 -14.603 -2.813 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.363 -15.985 -2.619 1.00 0.00 C ATOM 0 H THR A 72 -2.776 -16.050 -0.444 1.00 0.00 H new ATOM 0 HA THR A 72 -2.243 -17.941 -2.596 1.00 0.00 H new ATOM 0 HB THR A 72 -2.813 -16.187 -4.073 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.924 -13.966 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.929 -15.262 -3.206 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.751 -16.986 -2.805 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.462 -15.748 -1.560 1.00 0.00 H new ATOM 1070 N GLY A 73 -0.021 -15.997 -1.304 1.00 0.00 N ATOM 1071 CA GLY A 73 1.382 -15.627 -1.333 1.00 0.00 C ATOM 1072 C GLY A 73 1.695 -14.624 -2.426 1.00 0.00 C ATOM 1073 O GLY A 73 2.861 -14.373 -2.733 1.00 0.00 O ATOM 0 H GLY A 73 -0.509 -15.761 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.664 -15.207 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.987 -16.521 -1.481 1.00 0.00 H new ATOM 1077 N LYS A 74 0.652 -14.049 -3.016 1.00 0.00 N ATOM 1078 CA LYS A 74 0.820 -13.068 -4.081 1.00 0.00 C ATOM 1079 C LYS A 74 1.324 -11.740 -3.523 1.00 0.00 C ATOM 1080 O LYS A 74 1.095 -11.401 -2.362 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.503 -12.855 -4.819 1.00 0.00 C ATOM 1082 CG LYS A 74 -1.044 -14.114 -5.474 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.521 -14.273 -6.892 1.00 0.00 C ATOM 1084 CE LYS A 74 -0.509 -15.732 -7.321 1.00 0.00 C ATOM 1085 NZ LYS A 74 0.230 -15.928 -8.599 1.00 0.00 N ATOM 0 H LYS A 74 -0.319 -14.246 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 74 1.562 -13.452 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.244 -12.474 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.364 -12.089 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.761 -14.984 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.133 -14.078 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.143 -13.696 -7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.488 -13.865 -6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.049 -16.337 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.534 -16.085 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.215 -16.935 -8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.223 -15.371 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.215 -15.615 -8.482 1.00 0.00 H new ATOM 1099 N PRO A 75 2.024 -10.970 -4.369 1.00 0.00 N ATOM 1100 CA PRO A 75 2.571 -9.666 -3.982 1.00 0.00 C ATOM 1101 C PRO A 75 1.483 -8.619 -3.774 1.00 0.00 C ATOM 1102 O PRO A 75 0.970 -8.044 -4.734 1.00 0.00 O ATOM 1103 CB PRO A 75 3.457 -9.287 -5.171 1.00 0.00 C ATOM 1104 CG PRO A 75 2.876 -10.026 -6.327 1.00 0.00 C ATOM 1105 CD PRO A 75 2.334 -11.311 -5.767 1.00 0.00 C ATOM 0 HA PRO A 75 3.104 -9.713 -3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.448 -8.211 -5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.494 -9.574 -4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.087 -9.445 -6.805 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.633 -10.220 -7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.446 -11.642 -6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.065 -12.117 -5.831 1.00 0.00 H new ATOM 1113 N ILE A 76 1.136 -8.375 -2.514 1.00 0.00 N ATOM 1114 CA ILE A 76 0.109 -7.396 -2.181 1.00 0.00 C ATOM 1115 C ILE A 76 0.705 -6.208 -1.433 1.00 0.00 C ATOM 1116 O ILE A 76 1.816 -6.285 -0.909 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.007 -8.020 -1.324 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.435 -8.546 -0.006 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.701 -9.136 -2.089 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.451 -8.607 1.113 1.00 0.00 C ATOM 0 H ILE A 76 1.551 -8.842 -1.708 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.317 -7.053 -3.124 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.743 -7.249 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.026 -9.543 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.394 -7.908 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.488 -9.567 -1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.138 -8.734 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.975 -9.908 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.975 -8.989 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.842 -7.608 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.269 -9.268 0.826 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.042 -5.109 -1.387 1.00 0.00 N ATOM 1133 CA ALA A 77 0.411 -3.906 -0.700 1.00 0.00 C ATOM 1134 C ALA A 77 -0.127 -3.853 0.725 1.00 0.00 C ATOM 1135 O ALA A 77 -1.183 -4.411 1.022 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.013 -2.666 -1.473 1.00 0.00 C ATOM 0 H ALA A 77 -0.963 -5.028 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 77 1.499 -3.934 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.332 -1.775 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.425 -2.692 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.100 -2.642 -1.554 1.00 0.00 H new ATOM 1142 N VAL A 78 0.606 -3.178 1.605 1.00 0.00 N ATOM 1143 CA VAL A 78 0.202 -3.052 3.000 1.00 0.00 C ATOM 1144 C VAL A 78 0.694 -1.738 3.598 1.00 0.00 C ATOM 1145 O VAL A 78 1.581 -1.085 3.047 1.00 0.00 O ATOM 1146 CB VAL A 78 0.738 -4.221 3.848 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.170 -5.543 3.354 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.259 -4.243 3.824 1.00 0.00 C ATOM 0 H VAL A 78 1.483 -2.710 1.376 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.888 -3.071 3.017 1.00 0.00 H new ATOM 0 HB VAL A 78 0.416 -4.077 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.560 -6.357 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.917 -5.522 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.460 -5.698 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.620 -5.075 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.605 -4.363 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.643 -3.307 4.229 1.00 0.00 H new ATOM 1158 N LYS A 79 0.113 -1.356 4.730 1.00 0.00 N ATOM 1159 CA LYS A 79 0.493 -0.121 5.406 1.00 0.00 C ATOM 1160 C LYS A 79 0.608 1.030 4.411 1.00 0.00 C ATOM 1161 O LYS A 79 1.596 1.766 4.410 1.00 0.00 O ATOM 1162 CB LYS A 79 1.820 -0.306 6.144 1.00 0.00 C ATOM 1163 CG LYS A 79 1.867 -1.555 7.007 1.00 0.00 C ATOM 1164 CD LYS A 79 1.007 -1.406 8.251 1.00 0.00 C ATOM 1165 CE LYS A 79 -0.414 -1.891 8.007 1.00 0.00 C ATOM 1166 NZ LYS A 79 -1.380 -1.282 8.962 1.00 0.00 N ATOM 0 H LYS A 79 -0.623 -1.884 5.199 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.286 0.123 6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.629 -0.348 5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.002 0.566 6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.524 -2.412 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.897 -1.759 7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.450 -1.971 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.988 -0.360 8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.710 -1.648 6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.448 -2.977 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.337 -1.638 8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.112 -1.534 9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.367 -0.247 8.857 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.407 1.182 3.568 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.421 2.245 2.569 1.00 0.00 C ATOM 1182 C LEU A 80 -0.346 3.616 3.233 1.00 0.00 C ATOM 1183 O LEU A 80 -0.787 3.793 4.369 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.683 2.149 1.711 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.484 2.320 0.204 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.338 0.965 -0.472 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.643 3.098 -0.402 1.00 0.00 C ATOM 0 H LEU A 80 -1.232 0.582 3.556 1.00 0.00 H new ATOM 0 HA LEU A 80 0.454 2.122 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.146 1.178 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.389 2.906 2.052 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.567 2.886 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.197 1.106 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.475 0.443 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.237 0.373 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.485 3.210 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.574 2.559 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.702 4.083 0.061 1.00 0.00 H new ATOM 1199 N VAL A 81 0.212 4.586 2.515 1.00 0.00 N ATOM 1200 CA VAL A 81 0.342 5.943 3.033 1.00 0.00 C ATOM 1201 C VAL A 81 0.428 6.957 1.898 1.00 0.00 C ATOM 1202 O VAL A 81 1.201 6.787 0.955 1.00 0.00 O ATOM 1203 CB VAL A 81 1.585 6.085 3.930 1.00 0.00 C ATOM 1204 CG1 VAL A 81 1.297 5.561 5.329 1.00 0.00 C ATOM 1205 CG2 VAL A 81 2.772 5.360 3.314 1.00 0.00 C ATOM 0 H VAL A 81 0.581 4.457 1.573 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.549 6.142 3.628 1.00 0.00 H new ATOM 0 HB VAL A 81 1.836 7.143 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.187 5.670 5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.477 6.129 5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.020 4.508 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.642 5.471 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.535 4.302 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.991 5.787 2.335 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.370 8.016 1.996 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.383 9.061 0.980 1.00 0.00 C ATOM 1217 C LYS A 82 0.909 9.871 1.015 1.00 0.00 C ATOM 1218 O LYS A 82 1.260 10.451 2.043 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.584 9.987 1.187 1.00 0.00 C ATOM 1220 CG LYS A 82 -2.112 10.595 -0.101 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.590 10.932 0.007 1.00 0.00 C ATOM 1222 CE LYS A 82 -4.043 11.824 -1.139 1.00 0.00 C ATOM 1223 NZ LYS A 82 -5.410 12.369 -0.911 1.00 0.00 N ATOM 0 H LYS A 82 -1.016 8.172 2.770 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.464 8.583 0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.385 9.427 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.300 10.789 1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.548 11.498 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.956 9.898 -0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.175 10.012 0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.782 11.432 0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.339 12.648 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.029 11.256 -2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.584 13.157 -1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.114 11.621 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.489 12.711 0.068 1.00 0.00 H new ATOM 1237 N ILE A 83 1.610 9.907 -0.113 1.00 0.00 N ATOM 1238 CA ILE A 83 2.861 10.649 -0.210 1.00 0.00 C ATOM 1239 C ILE A 83 2.645 12.132 0.074 1.00 0.00 C ATOM 1240 O ILE A 83 3.325 12.718 0.916 1.00 0.00 O ATOM 1241 CB ILE A 83 3.502 10.493 -1.602 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.397 9.042 -2.075 1.00 0.00 C ATOM 1243 CG2 ILE A 83 4.955 10.942 -1.570 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.371 8.695 -3.180 1.00 0.00 C ATOM 0 H ILE A 83 1.333 9.431 -0.972 1.00 0.00 H new ATOM 0 HA ILE A 83 3.533 10.232 0.540 1.00 0.00 H new ATOM 0 HB ILE A 83 2.963 11.126 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.570 8.379 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.382 8.855 -2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.394 10.826 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.006 11.989 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.508 10.334 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.240 7.651 -3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.184 9.334 -4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.391 8.850 -2.828 1.00 0.00 H new