USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 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 25 ASN : amide:sc= -0.11 K(o=0.16,f=-5.1!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 143:sc= 0.272 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 170:sc= -0.803 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0496) USER MOD Single : A 12 THR OG1 : rot 166:sc= -1.8 USER MOD Single : A 14 THR OG1 : rot -37:sc= 0.99 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0417 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -2.61 (180deg=-5.85!) USER MOD Single : A 31 GLN : amide:sc= -0.0575 X(o=-0.057,f=-0.39) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 41 GLN : amide:sc= -4.36 K(o=-4.4,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.545 X(o=-0.55,f=-0.75) USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.974 USER MOD Single : A 57 SER OG : rot 180:sc= -0.86 USER MOD Single : A 59 TYR OH : rot 15:sc= -1.62 USER MOD Single : A 60 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.6!) USER MOD Single : A 62 GLN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -130:sc= -0.105 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.156 -8.679 7.052 1.00 0.00 N ATOM 327 CA GLN A 2 -1.944 -7.891 7.248 1.00 0.00 C ATOM 328 C GLN A 2 -1.454 -7.308 5.926 1.00 0.00 C ATOM 329 O GLN A 2 -0.756 -7.975 5.164 1.00 0.00 O ATOM 330 CB GLN A 2 -0.846 -8.752 7.875 1.00 0.00 C ATOM 331 CG GLN A 2 -0.620 -10.070 7.153 1.00 0.00 C ATOM 332 CD GLN A 2 -1.265 -11.243 7.867 1.00 0.00 C ATOM 333 OE1 GLN A 2 -2.455 -11.509 7.698 1.00 0.00 O ATOM 334 NE2 GLN A 2 -0.480 -11.951 8.670 1.00 0.00 N ATOM 0 HA GLN A 2 -2.182 -7.068 7.922 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.086 -8.187 7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.105 -8.956 8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.021 -10.000 6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.451 -10.250 7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.501 -11.695 8.780 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.858 -12.751 9.177 1.00 0.00 H new ATOM 343 N ILE A 3 -1.822 -6.058 5.664 1.00 0.00 N ATOM 344 CA ILE A 3 -1.416 -5.387 4.435 1.00 0.00 C ATOM 345 C ILE A 3 -0.103 -4.639 4.631 1.00 0.00 C ATOM 346 O ILE A 3 0.369 -4.482 5.756 1.00 0.00 O ATOM 347 CB ILE A 3 -2.492 -4.395 3.952 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.802 -3.373 5.048 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.752 -5.139 3.541 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.200 -2.019 4.518 1.00 0.00 C ATOM 0 H ILE A 3 -2.399 -5.491 6.285 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.284 -6.161 3.679 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.110 -3.862 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.606 -3.759 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.926 -3.260 5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.502 -4.425 3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.518 -5.831 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.140 -5.696 4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.404 -1.348 5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.389 -1.612 3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.095 -2.117 3.904 1.00 0.00 H new ATOM 362 N PHE A 4 0.484 -4.177 3.532 1.00 0.00 N ATOM 363 CA PHE A 4 1.743 -3.445 3.595 1.00 0.00 C ATOM 364 C PHE A 4 1.597 -2.048 3.001 1.00 0.00 C ATOM 365 O PHE A 4 1.515 -1.883 1.783 1.00 0.00 O ATOM 366 CB PHE A 4 2.848 -4.221 2.872 1.00 0.00 C ATOM 367 CG PHE A 4 3.872 -4.793 3.810 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.557 -3.967 4.682 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.132 -6.154 3.834 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.486 -4.482 5.565 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.065 -6.677 4.712 1.00 0.00 C ATOM 372 CZ PHE A 4 5.742 -5.840 5.580 1.00 0.00 C ATOM 0 H PHE A 4 0.110 -4.296 2.591 1.00 0.00 H new ATOM 0 HA PHE A 4 2.019 -3.337 4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.399 -5.030 2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.343 -3.560 2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.363 -2.905 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.602 -6.812 3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.011 -3.825 6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.264 -7.738 4.719 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.469 -6.246 6.268 1.00 0.00 H new ATOM 382 N VAL A 5 1.566 -1.045 3.874 1.00 0.00 N ATOM 383 CA VAL A 5 1.433 0.341 3.443 1.00 0.00 C ATOM 384 C VAL A 5 2.788 0.924 3.059 1.00 0.00 C ATOM 385 O VAL A 5 3.649 1.131 3.915 1.00 0.00 O ATOM 386 CB VAL A 5 0.803 1.216 4.544 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.452 2.591 3.997 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.426 0.538 5.133 1.00 0.00 C ATOM 0 H VAL A 5 1.631 -1.168 4.885 1.00 0.00 H new ATOM 0 HA VAL A 5 0.777 0.342 2.572 1.00 0.00 H new ATOM 0 HB VAL A 5 1.534 1.343 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.008 3.195 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.356 3.079 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.260 2.486 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.855 1.173 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.164 0.376 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.140 -0.421 5.566 1.00 0.00 H new ATOM 398 N LYS A 6 2.970 1.184 1.768 1.00 0.00 N ATOM 399 CA LYS A 6 4.222 1.742 1.269 1.00 0.00 C ATOM 400 C LYS A 6 4.115 3.254 1.097 1.00 0.00 C ATOM 401 O LYS A 6 3.203 3.750 0.436 1.00 0.00 O ATOM 402 CB LYS A 6 4.597 1.092 -0.064 1.00 0.00 C ATOM 403 CG LYS A 6 6.096 0.995 -0.292 1.00 0.00 C ATOM 404 CD LYS A 6 6.441 -0.126 -1.259 1.00 0.00 C ATOM 405 CE LYS A 6 7.753 0.141 -1.977 1.00 0.00 C ATOM 406 NZ LYS A 6 7.885 -0.674 -3.217 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.266 1.017 1.049 1.00 0.00 H new ATOM 0 HA LYS A 6 5.002 1.532 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.166 0.092 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.150 1.665 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.468 1.942 -0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.600 0.824 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.508 -1.069 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.641 -0.236 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.819 1.199 -2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.584 -0.080 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.794 -0.462 -3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.847 -1.684 -2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.106 -0.445 -3.867 1.00 0.00 H new ATOM 420 N THR A 7 5.054 3.982 1.693 1.00 0.00 N ATOM 421 CA THR A 7 5.064 5.438 1.602 1.00 0.00 C ATOM 422 C THR A 7 5.818 5.902 0.360 1.00 0.00 C ATOM 423 O THR A 7 6.259 5.088 -0.451 1.00 0.00 O ATOM 424 CB THR A 7 5.698 6.045 2.854 1.00 0.00 C ATOM 425 OG1 THR A 7 7.089 5.783 2.889 1.00 0.00 O ATOM 426 CG2 THR A 7 5.099 5.522 4.142 1.00 0.00 C ATOM 0 H THR A 7 5.817 3.588 2.244 1.00 0.00 H new ATOM 0 HA THR A 7 4.031 5.778 1.525 1.00 0.00 H new ATOM 0 HB THR A 7 5.500 7.115 2.788 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.503 6.310 3.604 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.594 5.993 4.991 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.034 5.753 4.168 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.237 4.442 4.195 1.00 0.00 H new ATOM 434 N LEU A 8 5.961 7.217 0.217 1.00 0.00 N ATOM 435 CA LEU A 8 6.661 7.790 -0.927 1.00 0.00 C ATOM 436 C LEU A 8 8.100 7.288 -0.994 1.00 0.00 C ATOM 437 O LEU A 8 8.524 6.720 -2.000 1.00 0.00 O ATOM 438 CB LEU A 8 6.647 9.318 -0.848 1.00 0.00 C ATOM 439 CG LEU A 8 5.309 9.972 -1.201 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.965 11.072 -0.212 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.349 10.546 -2.602 1.00 0.00 C ATOM 0 H LEU A 8 5.601 7.905 0.879 1.00 0.00 H new ATOM 0 HA LEU A 8 6.142 7.474 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.925 9.617 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.413 9.708 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 8 4.540 9.201 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.010 11.521 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.895 10.651 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.743 11.835 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.389 11.006 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.136 11.297 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.551 9.748 -3.317 1.00 0.00 H new ATOM 453 N THR A 9 8.848 7.504 0.085 1.00 0.00 N ATOM 454 CA THR A 9 10.241 7.074 0.149 1.00 0.00 C ATOM 455 C THR A 9 10.365 5.577 -0.122 1.00 0.00 C ATOM 456 O THR A 9 11.401 5.105 -0.590 1.00 0.00 O ATOM 457 CB THR A 9 10.835 7.406 1.519 1.00 0.00 C ATOM 458 OG1 THR A 9 10.119 6.748 2.549 1.00 0.00 O ATOM 459 CG2 THR A 9 10.831 8.887 1.830 1.00 0.00 C ATOM 0 H THR A 9 8.513 7.974 0.926 1.00 0.00 H new ATOM 0 HA THR A 9 10.795 7.610 -0.621 1.00 0.00 H new ATOM 0 HB THR A 9 11.869 7.063 1.476 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.515 6.972 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.266 9.053 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.418 9.418 1.081 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.806 9.259 1.818 1.00 0.00 H new ATOM 467 N GLY A 10 9.302 4.835 0.176 1.00 0.00 N ATOM 468 CA GLY A 10 9.314 3.401 -0.045 1.00 0.00 C ATOM 469 C GLY A 10 9.236 2.615 1.249 1.00 0.00 C ATOM 470 O GLY A 10 9.730 1.490 1.332 1.00 0.00 O ATOM 0 H GLY A 10 8.434 5.202 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.474 3.128 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.223 3.126 -0.579 1.00 0.00 H new ATOM 474 N LYS A 11 8.613 3.207 2.264 1.00 0.00 N ATOM 475 CA LYS A 11 8.473 2.553 3.559 1.00 0.00 C ATOM 476 C LYS A 11 7.224 1.679 3.595 1.00 0.00 C ATOM 477 O LYS A 11 6.112 2.173 3.780 1.00 0.00 O ATOM 478 CB LYS A 11 8.413 3.595 4.680 1.00 0.00 C ATOM 479 CG LYS A 11 8.166 2.996 6.058 1.00 0.00 C ATOM 480 CD LYS A 11 9.349 3.193 6.983 1.00 0.00 C ATOM 481 CE LYS A 11 9.861 1.869 7.530 1.00 0.00 C ATOM 482 NZ LYS A 11 10.435 1.009 6.458 1.00 0.00 N1+ ATOM 0 H LYS A 11 8.198 4.137 2.214 1.00 0.00 H new ATOM 0 HA LYS A 11 9.345 1.917 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.350 4.151 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.622 4.311 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.281 3.454 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.957 1.931 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.151 3.699 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.060 3.841 7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.621 2.059 8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.045 1.340 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.007 0.254 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.664 0.585 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.035 1.586 5.834 1.00 0.00 H new ATOM 496 N THR A 12 7.418 0.376 3.424 1.00 0.00 N ATOM 497 CA THR A 12 6.312 -0.574 3.444 1.00 0.00 C ATOM 498 C THR A 12 6.223 -1.259 4.803 1.00 0.00 C ATOM 499 O THR A 12 7.076 -2.075 5.152 1.00 0.00 O ATOM 500 CB THR A 12 6.489 -1.620 2.341 1.00 0.00 C ATOM 501 OG1 THR A 12 7.401 -1.164 1.356 1.00 0.00 O ATOM 502 CG2 THR A 12 5.196 -1.973 1.638 1.00 0.00 C ATOM 0 H THR A 12 8.333 -0.047 3.270 1.00 0.00 H new ATOM 0 HA THR A 12 5.386 -0.028 3.266 1.00 0.00 H new ATOM 0 HB THR A 12 6.865 -2.509 2.846 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.673 -1.916 0.789 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.392 -2.719 0.868 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.487 -2.376 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.776 -1.079 1.178 1.00 0.00 H new ATOM 510 N ILE A 13 5.194 -0.917 5.574 1.00 0.00 N ATOM 511 CA ILE A 13 5.016 -1.501 6.898 1.00 0.00 C ATOM 512 C ILE A 13 3.793 -2.411 6.964 1.00 0.00 C ATOM 513 O ILE A 13 2.753 -2.118 6.376 1.00 0.00 O ATOM 514 CB ILE A 13 4.880 -0.417 7.982 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.154 0.399 8.086 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.574 -1.053 9.316 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.353 -0.433 8.425 1.00 0.00 C ATOM 0 H ILE A 13 4.476 -0.243 5.306 1.00 0.00 H new ATOM 0 HA ILE A 13 5.911 -2.094 7.085 1.00 0.00 H new ATOM 0 HB ILE A 13 4.061 0.246 7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.329 0.912 7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.025 1.169 8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.480 -0.277 10.076 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.639 -1.610 9.248 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.382 -1.732 9.589 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.234 0.206 8.486 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.195 -0.925 9.385 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.504 -1.186 7.652 1.00 0.00 H new ATOM 529 N THR A 14 3.930 -3.512 7.697 1.00 0.00 N ATOM 530 CA THR A 14 2.840 -4.464 7.857 1.00 0.00 C ATOM 531 C THR A 14 1.799 -3.909 8.817 1.00 0.00 C ATOM 532 O THR A 14 2.053 -3.774 10.015 1.00 0.00 O ATOM 533 CB THR A 14 3.368 -5.804 8.374 1.00 0.00 C ATOM 534 OG1 THR A 14 4.757 -5.928 8.124 1.00 0.00 O ATOM 535 CG2 THR A 14 2.681 -6.999 7.746 1.00 0.00 C ATOM 0 H THR A 14 4.787 -3.766 8.189 1.00 0.00 H new ATOM 0 HA THR A 14 2.376 -4.626 6.884 1.00 0.00 H new ATOM 0 HB THR A 14 3.159 -5.803 9.444 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.971 -5.522 7.258 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.102 -7.917 8.156 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.614 -6.961 7.963 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.833 -6.980 6.667 1.00 0.00 H new ATOM 543 N LEU A 15 0.633 -3.576 8.284 1.00 0.00 N ATOM 544 CA LEU A 15 -0.442 -3.021 9.091 1.00 0.00 C ATOM 545 C LEU A 15 -1.736 -3.803 8.884 1.00 0.00 C ATOM 546 O LEU A 15 -2.155 -4.046 7.751 1.00 0.00 O ATOM 547 CB LEU A 15 -0.638 -1.546 8.736 1.00 0.00 C ATOM 548 CG LEU A 15 -1.327 -0.699 9.806 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.667 -1.303 10.183 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.437 -0.561 11.032 1.00 0.00 C ATOM 0 H LEU A 15 0.407 -3.681 7.295 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.172 -3.101 10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.337 -1.109 8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.222 -1.486 7.818 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.503 0.296 9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.142 -0.686 10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.307 -1.348 9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.516 -2.310 10.573 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.944 0.045 11.783 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.228 -1.549 11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.500 -0.080 10.749 1.00 0.00 H new ATOM 562 N GLU A 16 -2.359 -4.201 9.989 1.00 0.00 N ATOM 563 CA GLU A 16 -3.601 -4.963 9.937 1.00 0.00 C ATOM 564 C GLU A 16 -4.810 -4.039 9.824 1.00 0.00 C ATOM 565 O GLU A 16 -4.954 -3.089 10.594 1.00 0.00 O ATOM 566 CB GLU A 16 -3.733 -5.843 11.182 1.00 0.00 C ATOM 567 CG GLU A 16 -4.129 -7.272 10.876 1.00 0.00 C ATOM 568 CD GLU A 16 -2.976 -8.096 10.338 1.00 0.00 C ATOM 569 OE1 GLU A 16 -1.813 -7.757 10.641 1.00 0.00 O ATOM 570 OE2 GLU A 16 -3.236 -9.080 9.614 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.023 -4.008 10.932 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.570 -5.596 9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.784 -5.845 11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.475 -5.404 11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.513 -7.740 11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.941 -7.272 10.149 1.00 0.00 H new ATOM 577 N VAL A 17 -5.677 -4.329 8.860 1.00 0.00 N ATOM 578 CA VAL A 17 -6.879 -3.531 8.645 1.00 0.00 C ATOM 579 C VAL A 17 -7.973 -4.360 7.983 1.00 0.00 C ATOM 580 O VAL A 17 -7.799 -4.862 6.873 1.00 0.00 O ATOM 581 CB VAL A 17 -6.589 -2.298 7.768 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.841 -1.240 8.563 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.804 -2.698 6.527 1.00 0.00 C ATOM 0 H VAL A 17 -5.570 -5.111 8.214 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.216 -3.198 9.626 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.540 -1.872 7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.645 -0.377 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.445 -0.932 9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.896 -1.651 8.917 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.608 -1.814 5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.858 -3.150 6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.383 -3.416 5.946 1.00 0.00 H new ATOM 593 N GLU A 18 -9.101 -4.501 8.672 1.00 0.00 N ATOM 594 CA GLU A 18 -10.224 -5.271 8.148 1.00 0.00 C ATOM 595 C GLU A 18 -10.681 -4.715 6.801 1.00 0.00 C ATOM 596 O GLU A 18 -10.624 -3.508 6.568 1.00 0.00 O ATOM 597 CB GLU A 18 -11.388 -5.255 9.140 1.00 0.00 C ATOM 598 CG GLU A 18 -11.096 -6.000 10.432 1.00 0.00 C ATOM 599 CD GLU A 18 -12.283 -6.810 10.918 1.00 0.00 C ATOM 600 OE1 GLU A 18 -13.222 -6.208 11.480 1.00 0.00 O ATOM 601 OE2 GLU A 18 -12.272 -8.046 10.737 1.00 0.00 O1- ATOM 0 H GLU A 18 -9.262 -4.093 9.593 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.893 -6.300 8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.640 -4.221 9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.265 -5.696 8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.245 -6.664 10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.809 -5.285 11.203 1.00 0.00 H new ATOM 608 N PRO A 19 -11.140 -5.592 5.891 1.00 0.00 N ATOM 609 CA PRO A 19 -11.605 -5.177 4.564 1.00 0.00 C ATOM 610 C PRO A 19 -12.835 -4.278 4.636 1.00 0.00 C ATOM 611 O PRO A 19 -13.064 -3.448 3.756 1.00 0.00 O ATOM 612 CB PRO A 19 -11.950 -6.497 3.866 1.00 0.00 C ATOM 613 CG PRO A 19 -12.159 -7.476 4.971 1.00 0.00 C ATOM 614 CD PRO A 19 -11.242 -7.049 6.081 1.00 0.00 C ATOM 0 HA PRO A 19 -10.851 -4.591 4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.846 -6.397 3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.145 -6.815 3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.198 -7.476 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -11.929 -8.490 4.643 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.651 -7.300 7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.268 -7.534 6.008 1.00 0.00 H new ATOM 622 N SER A 20 -13.624 -4.450 5.691 1.00 0.00 N ATOM 623 CA SER A 20 -14.834 -3.655 5.879 1.00 0.00 C ATOM 624 C SER A 20 -14.577 -2.488 6.826 1.00 0.00 C ATOM 625 O SER A 20 -15.433 -2.135 7.638 1.00 0.00 O ATOM 626 CB SER A 20 -15.965 -4.530 6.422 1.00 0.00 C ATOM 627 OG SER A 20 -15.467 -5.512 7.314 1.00 0.00 O ATOM 0 H SER A 20 -13.448 -5.132 6.429 1.00 0.00 H new ATOM 0 HA SER A 20 -15.129 -3.253 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.697 -3.906 6.935 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.483 -5.015 5.595 1.00 0.00 H new ATOM 0 HG SER A 20 -16.210 -6.057 7.648 1.00 0.00 H new ATOM 633 N ASP A 21 -13.393 -1.892 6.718 1.00 0.00 N ATOM 634 CA ASP A 21 -13.026 -0.763 7.565 1.00 0.00 C ATOM 635 C ASP A 21 -12.652 0.450 6.721 1.00 0.00 C ATOM 636 O ASP A 21 -12.020 0.319 5.672 1.00 0.00 O ATOM 637 CB ASP A 21 -11.857 -1.143 8.478 1.00 0.00 C ATOM 638 CG ASP A 21 -12.320 -1.691 9.814 1.00 0.00 C ATOM 639 OD1 ASP A 21 -13.511 -1.510 10.150 1.00 0.00 O ATOM 640 OD2 ASP A 21 -11.494 -2.300 10.524 1.00 0.00 O1- ATOM 0 H ASP A 21 -12.672 -2.172 6.053 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.889 -0.505 8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.237 -1.887 7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.231 -0.267 8.645 1.00 0.00 H new ATOM 645 N THR A 22 -13.047 1.632 7.184 1.00 0.00 N ATOM 646 CA THR A 22 -12.753 2.869 6.471 1.00 0.00 C ATOM 647 C THR A 22 -11.260 3.175 6.504 1.00 0.00 C ATOM 648 O THR A 22 -10.498 2.518 7.214 1.00 0.00 O ATOM 649 CB THR A 22 -13.538 4.032 7.082 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.502 3.973 8.497 1.00 0.00 O ATOM 651 CG2 THR A 22 -14.992 4.061 6.660 1.00 0.00 C ATOM 0 H THR A 22 -13.571 1.759 8.050 1.00 0.00 H new ATOM 0 HA THR A 22 -13.055 2.741 5.432 1.00 0.00 H new ATOM 0 HB THR A 22 -13.051 4.934 6.712 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.008 4.726 8.869 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.490 4.910 7.129 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.054 4.157 5.576 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.480 3.137 6.971 1.00 0.00 H new ATOM 659 N ILE A 23 -10.847 4.175 5.734 1.00 0.00 N ATOM 660 CA ILE A 23 -9.444 4.567 5.676 1.00 0.00 C ATOM 661 C ILE A 23 -8.984 5.152 7.008 1.00 0.00 C ATOM 662 O ILE A 23 -7.818 5.028 7.382 1.00 0.00 O ATOM 663 CB ILE A 23 -9.190 5.598 4.560 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.772 5.100 3.235 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.700 5.875 4.419 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.220 3.761 2.798 1.00 0.00 C ATOM 0 H ILE A 23 -11.464 4.729 5.141 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.873 3.664 5.459 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.687 6.530 4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.855 5.024 3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.570 5.838 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.539 6.605 3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.313 6.268 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.180 4.950 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.677 3.470 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.140 3.836 2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.445 3.010 3.555 1.00 0.00 H new ATOM 678 N GLU A 24 -9.906 5.794 7.716 1.00 0.00 N ATOM 679 CA GLU A 24 -9.594 6.402 9.005 1.00 0.00 C ATOM 680 C GLU A 24 -9.061 5.365 9.989 1.00 0.00 C ATOM 681 O GLU A 24 -8.118 5.632 10.731 1.00 0.00 O ATOM 682 CB GLU A 24 -10.833 7.084 9.586 1.00 0.00 C ATOM 683 CG GLU A 24 -11.089 8.470 9.016 1.00 0.00 C ATOM 684 CD GLU A 24 -12.207 9.199 9.735 1.00 0.00 C ATOM 685 OE1 GLU A 24 -12.442 8.900 10.925 1.00 0.00 O ATOM 686 OE2 GLU A 24 -12.847 10.070 9.109 1.00 0.00 O1- ATOM 0 H GLU A 24 -10.875 5.907 7.420 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.818 7.150 8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.704 6.457 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.722 7.160 10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.175 9.060 9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.338 8.384 7.958 1.00 0.00 H new ATOM 693 N ASN A 25 -9.667 4.181 9.987 1.00 0.00 N ATOM 694 CA ASN A 25 -9.244 3.105 10.880 1.00 0.00 C ATOM 695 C ASN A 25 -7.822 2.662 10.550 1.00 0.00 C ATOM 696 O ASN A 25 -7.066 2.239 11.427 1.00 0.00 O ATOM 697 CB ASN A 25 -10.201 1.916 10.771 1.00 0.00 C ATOM 698 CG ASN A 25 -9.844 0.795 11.729 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.244 -0.205 11.337 1.00 0.00 O ATOM 700 ND2 ASN A 25 -10.212 0.959 12.994 1.00 0.00 N ATOM 0 H ASN A 25 -10.450 3.942 9.379 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.264 3.481 11.903 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.218 2.252 10.973 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.188 1.535 9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.999 0.239 13.685 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.708 1.805 13.275 1.00 0.00 H new ATOM 707 N VAL A 26 -7.464 2.775 9.279 1.00 0.00 N ATOM 708 CA VAL A 26 -6.135 2.400 8.818 1.00 0.00 C ATOM 709 C VAL A 26 -5.132 3.470 9.203 1.00 0.00 C ATOM 710 O VAL A 26 -4.180 3.206 9.937 1.00 0.00 O ATOM 711 CB VAL A 26 -6.116 2.187 7.296 1.00 0.00 C ATOM 712 CG1 VAL A 26 -4.911 1.357 6.879 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.413 1.526 6.857 1.00 0.00 C ATOM 0 H VAL A 26 -8.079 3.125 8.545 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.862 1.459 9.297 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.032 3.156 6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.920 1.220 5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.996 1.871 7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.953 0.384 7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.398 1.376 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.517 0.563 7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.255 2.165 7.122 1.00 0.00 H new ATOM 723 N LYS A 27 -5.376 4.697 8.748 1.00 0.00 N ATOM 724 CA LYS A 27 -4.510 5.811 9.107 1.00 0.00 C ATOM 725 C LYS A 27 -4.456 5.912 10.625 1.00 0.00 C ATOM 726 O LYS A 27 -3.501 6.428 11.201 1.00 0.00 O ATOM 727 CB LYS A 27 -5.028 7.118 8.502 1.00 0.00 C ATOM 728 CG LYS A 27 -4.985 7.148 6.982 1.00 0.00 C ATOM 729 CD LYS A 27 -3.693 6.551 6.447 1.00 0.00 C ATOM 730 CE LYS A 27 -3.606 6.662 4.934 1.00 0.00 C ATOM 731 NZ LYS A 27 -2.545 7.615 4.508 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.156 4.941 8.138 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.509 5.638 8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.055 7.278 8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.436 7.947 8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.835 6.595 6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.082 8.177 6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.842 7.061 6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.628 5.503 6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.403 5.679 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.568 6.988 4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.234 7.380 3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.922 8.584 4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.737 7.548 5.159 1.00 0.00 H new ATOM 745 N ALA A 28 -5.499 5.378 11.257 1.00 0.00 N ATOM 746 CA ALA A 28 -5.610 5.350 12.701 1.00 0.00 C ATOM 747 C ALA A 28 -4.507 4.481 13.289 1.00 0.00 C ATOM 748 O ALA A 28 -3.648 4.959 14.031 1.00 0.00 O ATOM 749 CB ALA A 28 -6.977 4.808 13.084 1.00 0.00 C ATOM 0 H ALA A 28 -6.290 4.953 10.774 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.501 6.359 13.099 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.068 4.784 14.170 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.753 5.452 12.669 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.092 3.799 12.688 1.00 0.00 H new ATOM 755 N LYS A 29 -4.532 3.199 12.935 1.00 0.00 N ATOM 756 CA LYS A 29 -3.525 2.259 13.409 1.00 0.00 C ATOM 757 C LYS A 29 -2.139 2.708 12.962 1.00 0.00 C ATOM 758 O LYS A 29 -1.182 2.677 13.737 1.00 0.00 O ATOM 759 CB LYS A 29 -3.817 0.854 12.881 1.00 0.00 C ATOM 760 CG LYS A 29 -5.172 0.314 13.305 1.00 0.00 C ATOM 761 CD LYS A 29 -5.308 -1.167 12.984 1.00 0.00 C ATOM 762 CE LYS A 29 -6.691 -1.494 12.443 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.722 -1.494 13.516 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.238 2.790 12.323 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.556 2.235 14.498 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.765 0.866 11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.039 0.175 13.230 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.308 0.469 14.375 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.961 0.871 12.799 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.553 -1.453 12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.119 -1.754 13.883 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.963 -0.766 11.679 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.670 -2.471 11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.610 -1.102 13.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.884 -2.468 13.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.394 -0.912 14.313 1.00 0.00 H new ATOM 777 N ILE A 30 -2.044 3.142 11.708 1.00 0.00 N ATOM 778 CA ILE A 30 -0.782 3.616 11.158 1.00 0.00 C ATOM 779 C ILE A 30 -0.307 4.854 11.913 1.00 0.00 C ATOM 780 O ILE A 30 0.893 5.101 12.033 1.00 0.00 O ATOM 781 CB ILE A 30 -0.907 3.949 9.654 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.324 2.704 8.870 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.406 4.500 9.114 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.571 2.968 7.400 1.00 0.00 C ATOM 0 H ILE A 30 -2.827 3.174 11.055 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.054 2.813 11.273 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.674 4.713 9.533 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.547 1.946 8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.230 2.292 9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.296 4.728 8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.669 5.409 9.655 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.194 3.758 9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.863 2.040 6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.369 3.703 7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.660 3.351 6.941 1.00 0.00 H new ATOM 796 N GLN A 31 -1.263 5.624 12.425 1.00 0.00 N ATOM 797 CA GLN A 31 -0.954 6.835 13.174 1.00 0.00 C ATOM 798 C GLN A 31 -0.365 6.480 14.535 1.00 0.00 C ATOM 799 O GLN A 31 0.562 7.133 15.011 1.00 0.00 O ATOM 800 CB GLN A 31 -2.216 7.687 13.350 1.00 0.00 C ATOM 801 CG GLN A 31 -2.016 8.902 14.244 1.00 0.00 C ATOM 802 CD GLN A 31 -2.967 8.922 15.425 1.00 0.00 C ATOM 803 OE1 GLN A 31 -3.255 7.885 16.023 1.00 0.00 O ATOM 804 NE2 GLN A 31 -3.461 10.106 15.766 1.00 0.00 N ATOM 0 H GLN A 31 -2.260 5.429 12.334 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.217 7.411 12.614 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.558 8.021 12.370 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.007 7.065 13.769 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.989 8.914 14.609 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.156 9.808 13.655 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.195 10.940 15.242 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.107 10.182 16.552 1.00 0.00 H new ATOM 813 N ASP A 32 -0.910 5.439 15.155 1.00 0.00 N ATOM 814 CA ASP A 32 -0.436 4.995 16.460 1.00 0.00 C ATOM 815 C ASP A 32 0.791 4.091 16.326 1.00 0.00 C ATOM 816 O ASP A 32 1.489 3.832 17.305 1.00 0.00 O ATOM 817 CB ASP A 32 -1.548 4.254 17.204 1.00 0.00 C ATOM 818 CG ASP A 32 -1.438 4.405 18.708 1.00 0.00 C ATOM 819 OD1 ASP A 32 -1.504 5.553 19.195 1.00 0.00 O ATOM 820 OD2 ASP A 32 -1.288 3.375 19.399 1.00 0.00 O1- ATOM 0 H ASP A 32 -1.679 4.888 14.775 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.149 5.879 17.029 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.516 4.631 16.874 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.512 3.196 16.944 1.00 0.00 H new ATOM 825 N LYS A 33 1.045 3.609 15.110 1.00 0.00 N ATOM 826 CA LYS A 33 2.183 2.732 14.860 1.00 0.00 C ATOM 827 C LYS A 33 3.378 3.513 14.315 1.00 0.00 C ATOM 828 O LYS A 33 4.527 3.111 14.499 1.00 0.00 O ATOM 829 CB LYS A 33 1.793 1.626 13.876 1.00 0.00 C ATOM 830 CG LYS A 33 1.426 0.314 14.550 1.00 0.00 C ATOM 831 CD LYS A 33 1.933 -0.880 13.763 1.00 0.00 C ATOM 832 CE LYS A 33 3.236 -1.414 14.337 1.00 0.00 C ATOM 833 NZ LYS A 33 4.395 -0.549 13.987 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.479 3.812 14.286 1.00 0.00 H new ATOM 0 HA LYS A 33 2.473 2.284 15.810 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.948 1.966 13.277 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.622 1.453 13.190 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.845 0.292 15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.343 0.248 14.654 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.180 -1.669 13.771 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.083 -0.594 12.722 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.152 -1.486 15.421 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.410 -2.423 13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.263 -0.949 14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.492 -0.500 12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.241 0.407 14.366 1.00 0.00 H new ATOM 847 N GLU A 34 3.103 4.624 13.637 1.00 0.00 N ATOM 848 CA GLU A 34 4.165 5.446 13.063 1.00 0.00 C ATOM 849 C GLU A 34 4.148 6.860 13.640 1.00 0.00 C ATOM 850 O GLU A 34 5.200 7.447 13.892 1.00 0.00 O ATOM 851 CB GLU A 34 4.023 5.506 11.541 1.00 0.00 C ATOM 852 CG GLU A 34 4.758 4.390 10.818 1.00 0.00 C ATOM 853 CD GLU A 34 6.072 4.852 10.217 1.00 0.00 C ATOM 854 OE1 GLU A 34 6.092 5.937 9.599 1.00 0.00 O ATOM 855 OE2 GLU A 34 7.079 4.128 10.364 1.00 0.00 O1- ATOM 0 H GLU A 34 2.159 4.975 13.472 1.00 0.00 H new ATOM 0 HA GLU A 34 5.118 4.985 13.320 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.965 5.461 11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.398 6.466 11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.948 3.574 11.515 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.121 3.992 10.028 1.00 0.00 H new ATOM 862 N GLY A 35 2.953 7.402 13.844 1.00 0.00 N ATOM 863 CA GLY A 35 2.831 8.743 14.385 1.00 0.00 C ATOM 864 C GLY A 35 2.454 9.761 13.326 1.00 0.00 C ATOM 865 O GLY A 35 2.807 10.936 13.431 1.00 0.00 O ATOM 0 H GLY A 35 2.067 6.937 13.645 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.078 8.747 15.173 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.776 9.034 14.845 1.00 0.00 H new ATOM 869 N ILE A 36 1.738 9.308 12.302 1.00 0.00 N ATOM 870 CA ILE A 36 1.313 10.186 11.217 1.00 0.00 C ATOM 871 C ILE A 36 -0.202 10.383 11.227 1.00 0.00 C ATOM 872 O ILE A 36 -0.954 9.466 10.899 1.00 0.00 O ATOM 873 CB ILE A 36 1.734 9.622 9.846 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.217 9.246 9.858 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.449 10.633 8.746 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.676 8.555 8.592 1.00 0.00 C ATOM 0 H ILE A 36 1.440 8.338 12.201 1.00 0.00 H new ATOM 0 HA ILE A 36 1.802 11.147 11.377 1.00 0.00 H new ATOM 0 HB ILE A 36 1.151 8.723 9.646 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.811 10.148 10.006 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.411 8.593 10.709 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.752 10.219 7.784 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.382 10.857 8.725 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.008 11.549 8.940 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.737 8.318 8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.108 7.635 8.453 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.514 9.214 7.739 1.00 0.00 H new ATOM 888 N PRO A 37 -0.675 11.586 11.606 1.00 0.00 N ATOM 889 CA PRO A 37 -2.109 11.888 11.652 1.00 0.00 C ATOM 890 C PRO A 37 -2.822 11.524 10.350 1.00 0.00 C ATOM 891 O PRO A 37 -2.209 11.510 9.282 1.00 0.00 O ATOM 892 CB PRO A 37 -2.147 13.400 11.880 1.00 0.00 C ATOM 893 CG PRO A 37 -0.865 13.707 12.571 1.00 0.00 C ATOM 894 CD PRO A 37 0.146 12.742 12.015 1.00 0.00 C ATOM 0 HA PRO A 37 -2.621 11.315 12.425 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.229 13.941 10.937 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.004 13.688 12.488 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.561 14.738 12.390 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.965 13.589 13.650 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.688 13.169 11.171 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.889 12.463 12.762 1.00 0.00 H new ATOM 902 N PRO A 38 -4.130 11.220 10.423 1.00 0.00 N ATOM 903 CA PRO A 38 -4.922 10.851 9.244 1.00 0.00 C ATOM 904 C PRO A 38 -4.883 11.917 8.153 1.00 0.00 C ATOM 905 O PRO A 38 -4.391 11.673 7.053 1.00 0.00 O ATOM 906 CB PRO A 38 -6.345 10.704 9.794 1.00 0.00 C ATOM 907 CG PRO A 38 -6.170 10.451 11.251 1.00 0.00 C ATOM 908 CD PRO A 38 -4.937 11.207 11.656 1.00 0.00 C ATOM 0 HA PRO A 38 -4.538 9.947 8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.932 11.606 9.618 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.872 9.881 9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.039 10.792 11.814 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.058 9.385 11.452 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.176 12.216 11.992 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.413 10.714 12.475 1.00 0.00 H new ATOM 916 N ASP A 39 -5.409 13.097 8.465 1.00 0.00 N ATOM 917 CA ASP A 39 -5.441 14.199 7.508 1.00 0.00 C ATOM 918 C ASP A 39 -4.039 14.549 7.011 1.00 0.00 C ATOM 919 O ASP A 39 -3.882 15.145 5.946 1.00 0.00 O ATOM 920 CB ASP A 39 -6.088 15.431 8.142 1.00 0.00 C ATOM 921 CG ASP A 39 -6.884 16.246 7.141 1.00 0.00 C ATOM 922 OD1 ASP A 39 -6.280 16.743 6.167 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -8.109 16.389 7.332 1.00 0.00 O ATOM 0 H ASP A 39 -5.819 13.315 9.373 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.034 13.877 6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.744 15.116 8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.313 16.058 8.583 1.00 0.00 H new ATOM 928 N GLN A 40 -3.025 14.181 7.788 1.00 0.00 N ATOM 929 CA GLN A 40 -1.641 14.465 7.421 1.00 0.00 C ATOM 930 C GLN A 40 -1.197 13.616 6.233 1.00 0.00 C ATOM 931 O GLN A 40 -0.475 14.091 5.357 1.00 0.00 O ATOM 932 CB GLN A 40 -0.715 14.219 8.614 1.00 0.00 C ATOM 933 CG GLN A 40 -0.401 15.474 9.410 1.00 0.00 C ATOM 934 CD GLN A 40 0.890 16.137 8.969 1.00 0.00 C ATOM 935 OE1 GLN A 40 1.112 16.187 7.661 1.00 0.00 O flip ATOM 936 NE2 GLN A 40 1.678 16.597 9.795 1.00 0.00 N flip ATOM 0 H GLN A 40 -3.135 13.687 8.674 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.581 15.514 7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.176 13.485 9.275 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.218 13.784 8.255 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.223 16.182 9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.332 15.221 10.468 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.466 16.536 10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.543 17.039 9.484 1.00 0.00 H new ATOM 945 N GLN A 41 -1.624 12.358 6.212 1.00 0.00 N ATOM 946 CA GLN A 41 -1.258 11.446 5.133 1.00 0.00 C ATOM 947 C GLN A 41 -2.483 11.023 4.327 1.00 0.00 C ATOM 948 O GLN A 41 -3.618 11.179 4.774 1.00 0.00 O ATOM 949 CB GLN A 41 -0.556 10.212 5.702 1.00 0.00 C ATOM 950 CG GLN A 41 -1.350 9.505 6.789 1.00 0.00 C ATOM 951 CD GLN A 41 -0.541 8.437 7.500 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.649 8.265 7.239 1.00 0.00 O ATOM 953 NE2 GLN A 41 -1.187 7.712 8.406 1.00 0.00 N ATOM 0 H GLN A 41 -2.223 11.947 6.928 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.577 11.972 4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.361 9.510 4.892 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.412 10.509 6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.696 10.239 7.517 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.237 9.051 6.349 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.174 7.889 8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.696 6.979 8.917 1.00 0.00 H new ATOM 962 N ARG A 42 -2.242 10.485 3.133 1.00 0.00 N ATOM 963 CA ARG A 42 -3.324 10.038 2.262 1.00 0.00 C ATOM 964 C ARG A 42 -2.954 8.732 1.564 1.00 0.00 C ATOM 965 O ARG A 42 -1.923 8.644 0.897 1.00 0.00 O ATOM 966 CB ARG A 42 -3.646 11.110 1.221 1.00 0.00 C ATOM 967 CG ARG A 42 -4.259 12.369 1.812 1.00 0.00 C ATOM 968 CD ARG A 42 -5.550 12.065 2.554 1.00 0.00 C ATOM 969 NE ARG A 42 -6.569 13.085 2.319 1.00 0.00 N ATOM 970 CZ ARG A 42 -6.486 14.334 2.772 1.00 0.00 C ATOM 971 NH1 ARG A 42 -5.434 14.721 3.483 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -7.457 15.199 2.514 1.00 0.00 N ATOM 0 H ARG A 42 -1.307 10.349 2.748 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.206 9.865 2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.731 11.376 0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.332 10.694 0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.548 12.836 2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.456 13.087 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.930 11.093 2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.346 11.995 3.623 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.392 12.825 1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.684 14.060 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.376 15.679 3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.268 14.908 1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.393 16.156 2.861 1.00 0.00 H new ATOM 986 N LEU A 43 -3.800 7.718 1.722 1.00 0.00 N ATOM 987 CA LEU A 43 -3.559 6.416 1.107 1.00 0.00 C ATOM 988 C LEU A 43 -4.064 6.390 -0.333 1.00 0.00 C ATOM 989 O LEU A 43 -4.993 7.114 -0.691 1.00 0.00 O ATOM 990 CB LEU A 43 -4.235 5.308 1.919 1.00 0.00 C ATOM 991 CG LEU A 43 -3.380 4.072 2.175 1.00 0.00 C ATOM 992 CD1 LEU A 43 -2.059 4.477 2.787 1.00 0.00 C ATOM 993 CD2 LEU A 43 -4.114 3.089 3.074 1.00 0.00 C ATOM 0 H LEU A 43 -4.658 7.773 2.270 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.483 6.243 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.544 5.721 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.142 5.000 1.398 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.186 3.576 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.454 3.589 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.531 5.144 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.238 4.991 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.487 2.214 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.338 3.566 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.043 2.782 2.595 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.444 5.547 -1.153 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.828 5.419 -2.554 1.00 0.00 C ATOM 1007 C ILE A 44 -3.575 4.004 -3.062 1.00 0.00 C ATOM 1008 O ILE A 44 -2.525 3.417 -2.796 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.059 6.417 -3.441 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.100 7.817 -2.827 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.638 6.430 -4.848 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -2.355 8.855 -3.638 1.00 0.00 C ATOM 0 H ILE A 44 -2.673 4.942 -0.871 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.894 5.640 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.018 6.100 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.139 8.128 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.675 7.778 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.084 7.140 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.559 5.434 -5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.686 6.726 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.426 9.823 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.307 8.567 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.794 8.923 -4.633 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.543 3.460 -3.793 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.422 2.111 -4.336 1.00 0.00 C ATOM 1026 C PHE A 45 -4.892 2.062 -5.786 1.00 0.00 C ATOM 1027 O PHE A 45 -6.068 2.280 -6.076 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.230 1.125 -3.491 1.00 0.00 C ATOM 1029 CG PHE A 45 -5.121 -0.297 -3.960 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.899 -0.951 -3.952 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -6.239 -0.982 -4.407 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.795 -2.260 -4.383 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -6.142 -2.291 -4.838 1.00 0.00 C ATOM 1034 CZ PHE A 45 -4.919 -2.931 -4.827 1.00 0.00 C ATOM 0 H PHE A 45 -5.418 3.931 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.370 1.828 -4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.893 1.185 -2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.278 1.423 -3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.018 -0.432 -3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.199 -0.487 -4.419 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.837 -2.758 -4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.022 -2.813 -5.183 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.840 -3.954 -5.165 1.00 0.00 H new ATOM 1044 N ALA A 46 -3.965 1.773 -6.694 1.00 0.00 N ATOM 1045 CA ALA A 46 -4.282 1.693 -8.116 1.00 0.00 C ATOM 1046 C ALA A 46 -4.903 2.993 -8.616 1.00 0.00 C ATOM 1047 O ALA A 46 -5.719 2.988 -9.538 1.00 0.00 O ATOM 1048 CB ALA A 46 -5.218 0.523 -8.381 1.00 0.00 C ATOM 0 H ALA A 46 -2.987 1.590 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.352 1.533 -8.662 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.447 0.474 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.738 -0.405 -8.070 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.141 0.660 -7.817 1.00 0.00 H new ATOM 1054 N GLY A 47 -4.511 4.104 -8.002 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.039 5.395 -8.399 1.00 0.00 C ATOM 1056 C GLY A 47 -6.199 5.838 -7.530 1.00 0.00 C ATOM 1057 O GLY A 47 -6.418 7.034 -7.337 1.00 0.00 O ATOM 0 H GLY A 47 -3.837 4.133 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.245 6.140 -8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.365 5.347 -9.438 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.944 4.871 -7.003 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.087 5.168 -6.149 1.00 0.00 C ATOM 1063 C LYS A 48 -7.648 5.910 -4.890 1.00 0.00 C ATOM 1064 O LYS A 48 -6.939 5.358 -4.049 1.00 0.00 O ATOM 1065 CB LYS A 48 -8.813 3.875 -5.765 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.539 3.219 -6.928 1.00 0.00 C ATOM 1067 CD LYS A 48 -9.493 1.702 -6.828 1.00 0.00 C ATOM 1068 CE LYS A 48 -9.316 1.061 -8.194 1.00 0.00 C ATOM 1069 NZ LYS A 48 -9.162 -0.418 -8.097 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.776 3.876 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.769 5.809 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.090 3.170 -5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.531 4.092 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.577 3.552 -6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.086 3.537 -7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.672 1.404 -6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.413 1.338 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.177 1.296 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.440 1.486 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.044 -0.818 -9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.326 -0.643 -7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.009 -0.827 -7.653 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.074 7.163 -4.770 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.723 7.980 -3.615 1.00 0.00 C ATOM 1085 C GLN A 49 -8.414 7.469 -2.355 1.00 0.00 C ATOM 1086 O GLN A 49 -9.599 7.724 -2.139 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.105 9.441 -3.864 1.00 0.00 C ATOM 1088 CG GLN A 49 -9.530 9.620 -4.361 1.00 0.00 C ATOM 1089 CD GLN A 49 -9.603 9.819 -5.862 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -8.886 10.645 -6.426 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -10.472 9.058 -6.518 1.00 0.00 N ATOM 0 H GLN A 49 -8.662 7.634 -5.458 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.645 7.913 -3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.978 10.004 -2.939 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.418 9.868 -4.594 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.120 8.746 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.980 10.478 -3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.047 8.386 -6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.565 9.146 -7.530 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.666 6.748 -1.527 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.207 6.202 -0.288 1.00 0.00 C ATOM 1102 C LEU A 50 -8.365 7.299 0.762 1.00 0.00 C ATOM 1103 O LEU A 50 -7.623 7.345 1.744 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.296 5.091 0.242 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.748 3.666 -0.089 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.575 3.379 -1.572 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.983 2.656 0.747 1.00 0.00 C ATOM 0 H LEU A 50 -6.684 6.528 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.191 5.783 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.294 5.241 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.222 5.189 1.325 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.807 3.577 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.902 2.361 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.174 4.082 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.525 3.487 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.318 1.649 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.917 2.745 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.164 2.847 1.805 1.00 0.00 H new ATOM 1119 N GLU A 51 -9.335 8.180 0.546 1.00 0.00 N ATOM 1120 CA GLU A 51 -9.591 9.279 1.471 1.00 0.00 C ATOM 1121 C GLU A 51 -10.284 8.780 2.735 1.00 0.00 C ATOM 1122 O GLU A 51 -10.794 7.660 2.774 1.00 0.00 O ATOM 1123 CB GLU A 51 -10.449 10.351 0.797 1.00 0.00 C ATOM 1124 CG GLU A 51 -9.997 10.694 -0.614 1.00 0.00 C ATOM 1125 CD GLU A 51 -10.335 12.120 -1.003 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -10.116 13.029 -0.175 1.00 0.00 O ATOM 1127 OE2 GLU A 51 -10.817 12.328 -2.136 1.00 0.00 O1- ATOM 0 H GLU A 51 -9.958 8.155 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.631 9.713 1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.484 10.010 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.430 11.255 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.920 10.545 -0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.466 10.008 -1.319 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.298 9.619 3.765 1.00 0.00 N ATOM 1135 CA ASP A 52 -10.930 9.264 5.031 1.00 0.00 C ATOM 1136 C ASP A 52 -12.421 9.007 4.840 1.00 0.00 C ATOM 1137 O ASP A 52 -13.181 9.919 4.513 1.00 0.00 O ATOM 1138 CB ASP A 52 -10.719 10.377 6.060 1.00 0.00 C ATOM 1139 CG ASP A 52 -9.280 10.467 6.527 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -8.863 9.610 7.333 1.00 0.00 O ATOM 1141 OD2 ASP A 52 -8.571 11.397 6.087 1.00 0.00 O1- ATOM 0 H ASP A 52 -9.879 10.549 3.748 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.466 8.348 5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.017 11.331 5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.367 10.201 6.919 1.00 0.00 H new ATOM 1146 N GLY A 53 -12.831 7.760 5.045 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.229 7.403 4.890 1.00 0.00 C ATOM 1148 C GLY A 53 -14.460 6.423 3.755 1.00 0.00 C ATOM 1149 O GLY A 53 -15.598 6.205 3.338 1.00 0.00 O ATOM 0 H GLY A 53 -12.220 6.990 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.594 6.968 5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.813 8.306 4.710 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.381 5.827 3.253 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.477 4.866 2.161 1.00 0.00 C ATOM 1155 C ARG A 54 -13.170 3.455 2.654 1.00 0.00 C ATOM 1156 O ARG A 54 -12.236 3.248 3.428 1.00 0.00 O ATOM 1157 CB ARG A 54 -12.518 5.246 1.032 1.00 0.00 C ATOM 1158 CG ARG A 54 -12.800 6.611 0.427 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.152 6.642 -0.267 1.00 0.00 C ATOM 1160 NE ARG A 54 -15.236 6.962 0.658 1.00 0.00 N ATOM 1161 CZ ARG A 54 -16.520 6.714 0.411 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -16.886 6.146 -0.733 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -17.442 7.036 1.308 1.00 0.00 N ATOM 0 H ARG A 54 -12.431 5.994 3.586 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.498 4.885 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.497 5.231 1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.576 4.491 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.773 7.370 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.017 6.863 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.131 7.380 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.344 5.674 -0.729 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.995 7.402 1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.181 5.898 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.872 5.958 -0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.167 7.474 2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.426 6.846 1.119 1.00 0.00 H new ATOM 1177 N THR A 55 -13.963 2.490 2.200 1.00 0.00 N ATOM 1178 CA THR A 55 -13.776 1.099 2.598 1.00 0.00 C ATOM 1179 C THR A 55 -12.561 0.489 1.907 1.00 0.00 C ATOM 1180 O THR A 55 -12.036 1.046 0.943 1.00 0.00 O ATOM 1181 CB THR A 55 -15.028 0.283 2.274 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.720 0.842 1.172 1.00 0.00 O ATOM 1183 CG2 THR A 55 -16.000 0.195 3.430 1.00 0.00 C ATOM 0 H THR A 55 -14.740 2.645 1.557 1.00 0.00 H new ATOM 0 HA THR A 55 -13.604 1.076 3.674 1.00 0.00 H new ATOM 0 HB THR A 55 -14.668 -0.720 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.593 0.406 1.079 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.866 -0.397 3.133 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.511 -0.278 4.281 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.325 1.197 3.709 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.120 -0.660 2.409 1.00 0.00 N ATOM 1192 CA LEU A 56 -10.967 -1.352 1.847 1.00 0.00 C ATOM 1193 C LEU A 56 -11.380 -2.279 0.709 1.00 0.00 C ATOM 1194 O LEU A 56 -10.948 -2.109 -0.432 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.253 -2.151 2.927 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.685 -1.332 4.087 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.417 -1.967 4.591 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.372 0.083 3.667 1.00 0.00 C ATOM 0 H LEU A 56 -12.546 -1.132 3.207 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.289 -0.598 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.950 -2.886 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.437 -2.706 2.464 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.442 -1.310 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.018 -1.378 5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.629 -2.979 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.684 -2.005 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.971 0.635 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.636 0.070 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.283 0.569 3.317 1.00 0.00 H new ATOM 1210 N SER A 57 -12.216 -3.261 1.030 1.00 0.00 N ATOM 1211 CA SER A 57 -12.689 -4.221 0.039 1.00 0.00 C ATOM 1212 C SER A 57 -13.288 -3.511 -1.173 1.00 0.00 C ATOM 1213 O SER A 57 -13.308 -4.058 -2.275 1.00 0.00 O ATOM 1214 CB SER A 57 -13.724 -5.157 0.668 1.00 0.00 C ATOM 1215 OG SER A 57 -14.213 -4.631 1.890 1.00 0.00 O ATOM 0 H SER A 57 -12.580 -3.413 1.970 1.00 0.00 H new ATOM 0 HA SER A 57 -11.836 -4.808 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.552 -5.306 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.275 -6.135 0.843 1.00 0.00 H new ATOM 0 HG SER A 57 -14.873 -5.247 2.271 1.00 0.00 H new ATOM 1221 N ASP A 58 -13.772 -2.291 -0.963 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.367 -1.510 -2.040 1.00 0.00 C ATOM 1223 C ASP A 58 -13.343 -1.233 -3.137 1.00 0.00 C ATOM 1224 O ASP A 58 -13.692 -1.116 -4.312 1.00 0.00 O ATOM 1225 CB ASP A 58 -14.922 -0.192 -1.498 1.00 0.00 C ATOM 1226 CG ASP A 58 -15.656 0.606 -2.558 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -15.038 0.922 -3.597 1.00 0.00 O ATOM 1228 OD2 ASP A 58 -16.847 0.914 -2.350 1.00 0.00 O1- ATOM 0 H ASP A 58 -13.764 -1.823 -0.057 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.185 -2.089 -2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.599 -0.400 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.104 0.407 -1.098 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.076 -1.128 -2.744 1.00 0.00 N ATOM 1234 CA TYR A 59 -11.001 -0.865 -3.694 1.00 0.00 C ATOM 1235 C TYR A 59 -10.187 -2.128 -3.970 1.00 0.00 C ATOM 1236 O TYR A 59 -9.060 -2.054 -4.458 1.00 0.00 O ATOM 1237 CB TYR A 59 -10.081 0.237 -3.162 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.789 1.549 -2.903 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -11.761 2.021 -3.777 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.483 2.315 -1.786 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -12.408 3.221 -3.542 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -11.126 3.514 -1.544 1.00 0.00 C ATOM 1243 CZ TYR A 59 -12.086 3.962 -2.425 1.00 0.00 C ATOM 1244 OH TYR A 59 -12.729 5.156 -2.189 1.00 0.00 O ATOM 0 H TYR A 59 -11.770 -1.221 -1.775 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.454 -0.537 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.618 -0.104 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.277 0.404 -3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -12.015 1.442 -4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.730 1.968 -1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -13.161 3.575 -4.230 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.877 4.097 -0.669 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.528 5.215 -2.754 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.765 -3.286 -3.658 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.088 -4.561 -3.876 1.00 0.00 C ATOM 1256 C ASN A 60 -8.735 -4.592 -3.169 1.00 0.00 C ATOM 1257 O ASN A 60 -7.689 -4.451 -3.802 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.900 -4.812 -5.373 1.00 0.00 C ATOM 1259 CG ASN A 60 -9.993 -6.283 -5.728 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -10.716 -7.044 -5.087 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -9.257 -6.691 -6.757 1.00 0.00 N ATOM 0 H ASN A 60 -11.698 -3.367 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.712 -5.350 -3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.656 -4.258 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.929 -4.426 -5.684 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.278 -7.670 -7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.671 -6.025 -7.261 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.765 -4.776 -1.852 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.541 -4.824 -1.061 1.00 0.00 C ATOM 1270 C ILE A 61 -7.401 -6.167 -0.350 1.00 0.00 C ATOM 1271 O ILE A 61 -8.063 -6.421 0.655 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.503 -3.694 -0.014 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.827 -2.350 -0.672 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -6.142 -3.647 0.665 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.774 -1.178 0.285 1.00 0.00 C ATOM 0 H ILE A 61 -9.622 -4.894 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.710 -4.693 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.258 -3.895 0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.124 -2.175 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.822 -2.402 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.131 -2.844 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.950 -4.598 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.369 -3.465 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.014 -0.260 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.497 -1.330 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.773 -1.099 0.709 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.535 -7.025 -0.882 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.307 -8.343 -0.300 1.00 0.00 C ATOM 1289 C GLN A 62 -5.284 -8.272 0.829 1.00 0.00 C ATOM 1290 O GLN A 62 -4.907 -7.187 1.271 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.832 -9.321 -1.375 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.681 -9.302 -2.636 1.00 0.00 C ATOM 1293 CD GLN A 62 -7.727 -10.400 -2.651 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -7.644 -11.341 -3.439 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -8.719 -10.283 -1.776 1.00 0.00 N ATOM 0 H GLN A 62 -5.980 -6.831 -1.715 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.251 -8.698 0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.801 -9.085 -1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.833 -10.330 -0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.174 -8.334 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.034 -9.409 -3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.748 -9.485 -1.141 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.452 -10.991 -1.739 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.838 -9.437 1.292 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.859 -9.507 2.370 1.00 0.00 C ATOM 1306 C LYS A 63 -2.453 -9.229 1.849 1.00 0.00 C ATOM 1307 O LYS A 63 -2.133 -9.536 0.700 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.906 -10.881 3.041 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.461 -12.019 2.136 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.242 -13.291 2.413 1.00 0.00 C ATOM 1311 CE LYS A 63 -4.059 -13.757 3.848 1.00 0.00 C ATOM 1312 NZ LYS A 63 -2.718 -14.366 4.069 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.140 -10.344 0.937 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.110 -8.743 3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.272 -10.864 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.923 -11.075 3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.594 -11.729 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.397 -12.206 2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.300 -13.119 2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.915 -14.075 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.189 -12.911 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.833 -14.484 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.634 -14.670 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.603 -15.189 3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.979 -13.665 3.859 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.616 -8.647 2.702 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.242 -8.325 2.332 1.00 0.00 C ATOM 1328 C GLU A 64 -0.199 -7.456 1.078 1.00 0.00 C ATOM 1329 O GLU A 64 0.781 -7.471 0.334 1.00 0.00 O ATOM 1330 CB GLU A 64 0.562 -9.607 2.104 1.00 0.00 C ATOM 1331 CG GLU A 64 0.977 -10.302 3.391 1.00 0.00 C ATOM 1332 CD GLU A 64 1.855 -11.512 3.143 1.00 0.00 C ATOM 1333 OE1 GLU A 64 2.901 -11.360 2.480 1.00 0.00 O1- ATOM 1334 OE2 GLU A 64 1.495 -12.613 3.611 1.00 0.00 O ATOM 0 H GLU A 64 -1.866 -8.388 3.656 1.00 0.00 H new ATOM 0 HA GLU A 64 0.203 -7.764 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.032 -10.296 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.455 -9.368 1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.511 -9.595 4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.085 -10.610 3.937 1.00 0.00 H new ATOM 1341 N SER A 65 -1.267 -6.697 0.851 1.00 0.00 N ATOM 1342 CA SER A 65 -1.348 -5.821 -0.311 1.00 0.00 C ATOM 1343 C SER A 65 -0.385 -4.648 -0.171 1.00 0.00 C ATOM 1344 O SER A 65 0.269 -4.489 0.859 1.00 0.00 O ATOM 1345 CB SER A 65 -2.777 -5.306 -0.490 1.00 0.00 C ATOM 1346 OG SER A 65 -3.637 -6.334 -0.949 1.00 0.00 O ATOM 0 H SER A 65 -2.087 -6.672 1.457 1.00 0.00 H new ATOM 0 HA SER A 65 -1.066 -6.398 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.147 -4.915 0.458 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.782 -4.479 -1.200 1.00 0.00 H new ATOM 0 HG SER A 65 -4.145 -6.014 -1.724 1.00 0.00 H new ATOM 1352 N THR A 66 -0.302 -3.828 -1.213 1.00 0.00 N ATOM 1353 CA THR A 66 0.583 -2.669 -1.202 1.00 0.00 C ATOM 1354 C THR A 66 -0.214 -1.375 -1.329 1.00 0.00 C ATOM 1355 O THR A 66 -0.642 -1.001 -2.420 1.00 0.00 O ATOM 1356 CB THR A 66 1.606 -2.767 -2.336 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.626 -4.074 -2.884 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.015 -2.433 -1.898 1.00 0.00 C ATOM 0 H THR A 66 -0.836 -3.944 -2.074 1.00 0.00 H new ATOM 0 HA THR A 66 1.111 -2.657 -0.249 1.00 0.00 H new ATOM 0 HB THR A 66 1.287 -2.034 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.285 -4.115 -3.608 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.691 -2.521 -2.748 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.045 -1.413 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.326 -3.124 -1.114 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.409 -0.694 -0.204 1.00 0.00 N ATOM 1367 CA LEU A 67 -1.154 0.559 -0.189 1.00 0.00 C ATOM 1368 C LEU A 67 -0.204 1.753 -0.165 1.00 0.00 C ATOM 1369 O LEU A 67 0.571 1.923 0.775 1.00 0.00 O ATOM 1370 CB LEU A 67 -2.090 0.612 1.022 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.356 -0.238 0.910 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -4.319 0.087 2.044 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -4.030 -0.032 -0.439 1.00 0.00 C ATOM 0 H LEU A 67 -0.061 -0.989 0.708 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.751 0.608 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.535 0.292 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.382 1.649 1.189 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.069 -1.287 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.214 -0.527 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.838 -0.119 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.595 1.140 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.928 -0.647 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.301 1.017 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.344 -0.319 -1.236 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.271 2.576 -1.207 1.00 0.00 N ATOM 1386 CA HIS A 68 0.584 3.753 -1.306 1.00 0.00 C ATOM 1387 C HIS A 68 0.160 4.819 -0.300 1.00 0.00 C ATOM 1388 O HIS A 68 -1.030 5.031 -0.071 1.00 0.00 O ATOM 1389 CB HIS A 68 0.537 4.326 -2.723 1.00 0.00 C ATOM 1390 CG HIS A 68 1.599 3.778 -3.625 1.00 0.00 C ATOM 1391 ND1 HIS A 68 2.938 4.070 -3.476 1.00 0.00 N ATOM 1392 CD2 HIS A 68 1.514 2.948 -4.693 1.00 0.00 C ATOM 1393 CE1 HIS A 68 3.630 3.446 -4.412 1.00 0.00 C ATOM 1394 NE2 HIS A 68 2.790 2.759 -5.163 1.00 0.00 N ATOM 0 H HIS A 68 -0.908 2.449 -1.994 1.00 0.00 H new ATOM 0 HA HIS A 68 1.606 3.449 -1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.441 4.118 -3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.639 5.410 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.611 2.516 -5.099 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.701 3.490 -4.541 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.047 2.181 -5.963 1.00 0.00 H new ATOM 1403 N LEU A 69 1.142 5.485 0.297 1.00 0.00 N ATOM 1404 CA LEU A 69 0.870 6.531 1.277 1.00 0.00 C ATOM 1405 C LEU A 69 1.449 7.866 0.822 1.00 0.00 C ATOM 1406 O LEU A 69 2.510 7.915 0.201 1.00 0.00 O ATOM 1407 CB LEU A 69 1.453 6.149 2.640 1.00 0.00 C ATOM 1408 CG LEU A 69 0.824 6.861 3.833 1.00 0.00 C ATOM 1409 CD1 LEU A 69 0.803 5.953 5.053 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.587 8.134 4.128 1.00 0.00 C ATOM 0 H LEU A 69 2.133 5.320 0.120 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.211 6.635 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.341 5.074 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.522 6.360 2.633 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.207 7.115 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.350 6.481 5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.221 5.058 4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.823 5.668 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.135 8.640 4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.624 7.891 4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.552 8.789 3.257 1.00 0.00 H new ATOM 1422 N VAL A 70 0.745 8.948 1.138 1.00 0.00 N ATOM 1423 CA VAL A 70 1.187 10.285 0.763 1.00 0.00 C ATOM 1424 C VAL A 70 1.256 11.199 1.982 1.00 0.00 C ATOM 1425 O VAL A 70 0.243 11.744 2.418 1.00 0.00 O ATOM 1426 CB VAL A 70 0.251 10.916 -0.285 1.00 0.00 C ATOM 1427 CG1 VAL A 70 0.823 12.231 -0.791 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.012 9.952 -1.437 1.00 0.00 C ATOM 0 H VAL A 70 -0.135 8.924 1.653 1.00 0.00 H new ATOM 0 HA VAL A 70 2.182 10.180 0.331 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.708 11.123 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.147 12.661 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.936 12.923 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.796 12.052 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.651 10.415 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.963 9.710 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.447 9.039 -1.058 1.00 0.00 H new ATOM 1438 N LEU A 71 2.458 11.361 2.526 1.00 0.00 N ATOM 1439 CA LEU A 71 2.660 12.210 3.695 1.00 0.00 C ATOM 1440 C LEU A 71 2.678 13.684 3.300 1.00 0.00 C ATOM 1441 O LEU A 71 3.568 14.133 2.579 1.00 0.00 O ATOM 1442 CB LEU A 71 3.968 11.844 4.399 1.00 0.00 C ATOM 1443 CG LEU A 71 4.179 10.347 4.637 1.00 0.00 C ATOM 1444 CD1 LEU A 71 5.646 10.052 4.907 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.314 9.865 5.793 1.00 0.00 C ATOM 0 H LEU A 71 3.306 10.916 2.176 1.00 0.00 H new ATOM 0 HA LEU A 71 1.828 12.045 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.800 12.223 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.002 12.357 5.360 1.00 0.00 H new ATOM 0 HG LEU A 71 3.881 9.809 3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.777 8.983 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.243 10.361 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.970 10.600 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.476 8.798 5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.581 10.409 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.264 10.042 5.560 1.00 0.00 H new ATOM 1457 N ARG A 72 1.688 14.431 3.778 1.00 0.00 N ATOM 1458 CA ARG A 72 1.591 15.853 3.474 1.00 0.00 C ATOM 1459 C ARG A 72 2.797 16.611 4.021 1.00 0.00 C ATOM 1460 O ARG A 72 3.291 16.308 5.108 1.00 0.00 O ATOM 1461 CB ARG A 72 0.302 16.434 4.060 1.00 0.00 C ATOM 1462 CG ARG A 72 0.105 17.910 3.756 1.00 0.00 C ATOM 1463 CD ARG A 72 -0.575 18.631 4.909 1.00 0.00 C ATOM 1464 NE ARG A 72 -1.533 19.629 4.440 1.00 0.00 N ATOM 1465 CZ ARG A 72 -2.757 19.337 4.008 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -3.176 18.076 3.983 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -3.566 20.304 3.600 1.00 0.00 N ATOM 0 H ARG A 72 0.943 14.075 4.377 1.00 0.00 H new ATOM 0 HA ARG A 72 1.574 15.966 2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.549 15.875 3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.308 16.292 5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.071 18.373 3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.495 18.019 2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.087 17.904 5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.179 19.115 5.529 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.247 20.608 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.558 17.327 4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.115 17.857 3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.251 21.274 3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.504 20.078 3.269 1.00 0.00 H new