USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 661 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 43 GLN : amide:sc= -0.744 K(o=-0.74,f=-3.6) USER MOD Set 1.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 ASN : amide:sc=-0.00736 X(o=-0.029,f=0.39) USER MOD Set 2.2: A 67 ASN : amide:sc= -0.0219 X(o=-0.029,f=0.39) USER MOD Single : A 24 ASN : amide:sc= -0.321 X(o=-0.32,f=0.038) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.775 X(o=-0.78,f=-1.1) USER MOD Single : A 38 THR OG1 : rot 19:sc= 0.707 USER MOD Single : A 40 THR OG1 : rot 140:sc= -0.227 USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 49 TYR OH : rot 165:sc= -0.71 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.612 K(o=-0.61,f=-1.8) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -179:sc= -0.833 (180deg=-0.84) USER MOD Single : A 94 SER OG : rot -17:sc= -0.0278 USER MOD Single : A 95 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.16) USER MOD Single : A 99 GLN : amide:sc= -2.14 X(o=-2.1,f=-2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.85 K(o=-1.8,f=-5.8!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 325 N ASN A 24 -5.429 -5.382 8.699 1.00 0.00 N ATOM 326 CA ASN A 24 -4.605 -4.364 8.058 1.00 0.00 C ATOM 327 C ASN A 24 -3.668 -4.991 7.029 1.00 0.00 C ATOM 328 O ASN A 24 -2.947 -5.943 7.329 1.00 0.00 O ATOM 329 CB ASN A 24 -3.792 -3.601 9.105 1.00 0.00 C ATOM 330 CG ASN A 24 -2.676 -4.440 9.696 1.00 0.00 C ATOM 331 OD1 ASN A 24 -2.883 -5.597 10.065 1.00 0.00 O ATOM 332 ND2 ASN A 24 -1.484 -3.861 9.786 1.00 0.00 N ATOM 0 HA ASN A 24 -5.268 -3.667 7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.368 -2.706 8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.455 -3.269 9.904 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.694 -4.377 10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.358 -2.900 9.468 1.00 0.00 H new ATOM 339 N TYR A 25 -3.685 -4.452 5.815 1.00 0.00 N ATOM 340 CA TYR A 25 -2.839 -4.959 4.742 1.00 0.00 C ATOM 341 C TYR A 25 -1.583 -4.106 4.588 1.00 0.00 C ATOM 342 O TYR A 25 -0.572 -4.561 4.054 1.00 0.00 O ATOM 343 CB TYR A 25 -3.614 -4.988 3.423 1.00 0.00 C ATOM 344 CG TYR A 25 -3.933 -6.383 2.939 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.087 -7.038 3.354 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.081 -7.048 2.066 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.382 -8.313 2.914 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.369 -8.323 1.619 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.520 -8.951 2.047 1.00 0.00 C ATOM 350 OH TYR A 25 -4.812 -10.222 1.605 1.00 0.00 O ATOM 0 H TYR A 25 -4.276 -3.664 5.550 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.537 -5.974 5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.544 -4.434 3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.033 -4.471 2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.764 -6.541 4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.178 -6.560 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.282 -8.808 3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.697 -8.825 0.939 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.105 -10.528 1.000 1.00 0.00 H new ATOM 360 N ILE A 26 -1.657 -2.867 5.061 1.00 0.00 N ATOM 361 CA ILE A 26 -0.528 -1.949 4.979 1.00 0.00 C ATOM 362 C ILE A 26 -0.544 -0.952 6.132 1.00 0.00 C ATOM 363 O ILE A 26 -1.516 -0.220 6.320 1.00 0.00 O ATOM 364 CB ILE A 26 -0.524 -1.178 3.646 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.937 -0.693 3.310 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.021 -2.054 2.529 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.965 0.425 2.291 1.00 0.00 C ATOM 0 H ILE A 26 -2.487 -2.475 5.505 1.00 0.00 H new ATOM 0 HA ILE A 26 0.376 -2.555 5.040 1.00 0.00 H new ATOM 0 HB ILE A 26 0.125 -0.308 3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.521 -1.533 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.423 -0.353 4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.017 -1.495 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.041 -2.355 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.604 -2.941 2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.997 0.718 2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.409 1.281 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.509 0.082 1.362 1.00 0.00 H new ATOM 379 N HIS A 27 0.541 -0.925 6.901 1.00 0.00 N ATOM 380 CA HIS A 27 0.651 -0.014 8.034 1.00 0.00 C ATOM 381 C HIS A 27 1.418 1.246 7.646 1.00 0.00 C ATOM 382 O HIS A 27 2.448 1.176 6.975 1.00 0.00 O ATOM 383 CB HIS A 27 1.348 -0.707 9.206 1.00 0.00 C ATOM 384 CG HIS A 27 1.346 0.102 10.467 1.00 0.00 C ATOM 385 ND1 HIS A 27 0.683 -0.288 11.610 1.00 0.00 N ATOM 386 CD2 HIS A 27 1.936 1.284 10.760 1.00 0.00 C ATOM 387 CE1 HIS A 27 0.861 0.620 12.552 1.00 0.00 C ATOM 388 NE2 HIS A 27 1.619 1.584 12.062 1.00 0.00 N ATOM 0 H HIS A 27 1.355 -1.523 6.760 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.356 0.273 8.336 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.858 -1.662 9.396 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.378 -0.927 8.927 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.139 -1.145 11.713 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.543 1.880 10.094 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.456 0.581 13.552 1.00 0.00 H new ATOM 396 N ILE A 28 0.908 2.397 8.070 1.00 0.00 N ATOM 397 CA ILE A 28 1.545 3.673 7.766 1.00 0.00 C ATOM 398 C ILE A 28 1.638 4.551 9.009 1.00 0.00 C ATOM 399 O ILE A 28 0.636 5.088 9.479 1.00 0.00 O ATOM 400 CB ILE A 28 0.780 4.437 6.668 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.069 3.455 5.736 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.731 5.328 5.883 1.00 0.00 C ATOM 403 CD1 ILE A 28 1.015 2.590 4.933 1.00 0.00 C ATOM 0 H ILE A 28 0.056 2.473 8.625 1.00 0.00 H new ATOM 0 HA ILE A 28 2.549 3.447 7.408 1.00 0.00 H new ATOM 0 HB ILE A 28 0.028 5.069 7.141 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.584 2.813 6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.569 4.014 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.176 5.861 5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.196 6.047 6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.503 4.715 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.441 1.918 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.651 3.223 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.636 2.004 5.611 1.00 0.00 H new ATOM 415 N ARG A 29 2.850 4.694 9.536 1.00 0.00 N ATOM 416 CA ARG A 29 3.076 5.507 10.725 1.00 0.00 C ATOM 417 C ARG A 29 3.910 6.740 10.390 1.00 0.00 C ATOM 418 O ARG A 29 5.138 6.675 10.337 1.00 0.00 O ATOM 419 CB ARG A 29 3.775 4.683 11.807 1.00 0.00 C ATOM 420 CG ARG A 29 3.148 4.827 13.184 1.00 0.00 C ATOM 421 CD ARG A 29 4.194 4.754 14.284 1.00 0.00 C ATOM 422 NE ARG A 29 4.283 3.417 14.865 1.00 0.00 N ATOM 423 CZ ARG A 29 4.991 3.135 15.954 1.00 0.00 C ATOM 424 NH1 ARG A 29 5.664 4.091 16.577 1.00 0.00 N ATOM 425 NH2 ARG A 29 5.022 1.894 16.423 1.00 0.00 N ATOM 0 H ARG A 29 3.691 4.257 9.158 1.00 0.00 H new ATOM 0 HA ARG A 29 2.107 5.836 11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.759 3.632 11.518 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.822 4.983 11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.619 5.778 13.246 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.408 4.041 13.332 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.165 5.040 13.880 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.950 5.474 15.065 1.00 0.00 H new ATOM 0 HE ARG A 29 3.774 2.659 14.411 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.640 5.047 16.221 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.206 3.871 17.412 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.502 1.156 15.948 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.565 1.678 17.259 1.00 0.00 H new ATOM 439 N ILE A 30 3.234 7.862 10.161 1.00 0.00 N ATOM 440 CA ILE A 30 3.913 9.108 9.833 1.00 0.00 C ATOM 441 C ILE A 30 4.125 9.964 11.076 1.00 0.00 C ATOM 442 O ILE A 30 3.276 10.003 11.967 1.00 0.00 O ATOM 443 CB ILE A 30 3.120 9.923 8.792 1.00 0.00 C ATOM 444 CG1 ILE A 30 3.841 11.237 8.486 1.00 0.00 C ATOM 445 CG2 ILE A 30 1.709 10.190 9.292 1.00 0.00 C ATOM 446 CD1 ILE A 30 3.776 11.637 7.028 1.00 0.00 C ATOM 0 H ILE A 30 2.217 7.932 10.197 1.00 0.00 H new ATOM 0 HA ILE A 30 4.882 8.838 9.412 1.00 0.00 H new ATOM 0 HB ILE A 30 3.054 9.344 7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.405 12.031 9.092 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.886 11.147 8.783 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.162 10.766 8.546 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.199 9.242 9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.754 10.753 10.224 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.308 12.578 6.885 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.239 10.862 6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.735 11.760 6.731 1.00 0.00 H new ATOM 583 N THR A 38 11.176 15.083 8.638 1.00 0.00 N ATOM 584 CA THR A 38 10.268 14.312 7.800 1.00 0.00 C ATOM 585 C THR A 38 10.606 12.826 7.845 1.00 0.00 C ATOM 586 O THR A 38 11.525 12.367 7.166 1.00 0.00 O ATOM 587 CB THR A 38 10.310 14.792 6.336 1.00 0.00 C ATOM 588 OG1 THR A 38 10.846 16.118 6.271 1.00 0.00 O ATOM 589 CG2 THR A 38 8.920 14.770 5.719 1.00 0.00 C ATOM 0 HA THR A 38 9.265 14.466 8.197 1.00 0.00 H new ATOM 0 HB THR A 38 10.950 14.114 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.338 16.313 7.096 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.975 15.113 4.686 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.527 13.754 5.744 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.260 15.428 6.285 1.00 0.00 H new ATOM 597 N LEU A 39 9.857 12.078 8.648 1.00 0.00 N ATOM 598 CA LEU A 39 10.078 10.643 8.782 1.00 0.00 C ATOM 599 C LEU A 39 8.752 9.887 8.794 1.00 0.00 C ATOM 600 O LEU A 39 7.763 10.356 9.359 1.00 0.00 O ATOM 601 CB LEU A 39 10.860 10.344 10.062 1.00 0.00 C ATOM 602 CG LEU A 39 12.036 11.274 10.362 1.00 0.00 C ATOM 603 CD1 LEU A 39 11.668 12.265 11.456 1.00 0.00 C ATOM 604 CD2 LEU A 39 13.265 10.469 10.760 1.00 0.00 C ATOM 0 H LEU A 39 9.092 12.442 9.216 1.00 0.00 H new ATOM 0 HA LEU A 39 10.659 10.308 7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.169 10.382 10.904 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.236 9.323 10.004 1.00 0.00 H new ATOM 0 HG LEU A 39 12.271 11.834 9.457 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.517 12.918 11.656 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.817 12.865 11.133 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.406 11.723 12.365 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.092 11.147 10.970 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.042 9.882 11.651 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.542 9.801 9.945 1.00 0.00 H new ATOM 616 N THR A 40 8.740 8.712 8.171 1.00 0.00 N ATOM 617 CA THR A 40 7.538 7.891 8.112 1.00 0.00 C ATOM 618 C THR A 40 7.886 6.411 8.003 1.00 0.00 C ATOM 619 O THR A 40 8.772 6.026 7.237 1.00 0.00 O ATOM 620 CB THR A 40 6.645 8.287 6.919 1.00 0.00 C ATOM 621 OG1 THR A 40 6.240 9.655 7.042 1.00 0.00 O ATOM 622 CG2 THR A 40 5.418 7.392 6.842 1.00 0.00 C ATOM 0 H THR A 40 9.550 8.308 7.700 1.00 0.00 H new ATOM 0 HA THR A 40 6.992 8.064 9.039 1.00 0.00 H new ATOM 0 HB THR A 40 7.223 8.163 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.267 10.085 6.162 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.803 7.690 5.993 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.731 6.355 6.717 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.839 7.488 7.761 1.00 0.00 H new ATOM 630 N THR A 41 7.187 5.584 8.772 1.00 0.00 N ATOM 631 CA THR A 41 7.423 4.147 8.763 1.00 0.00 C ATOM 632 C THR A 41 6.310 3.411 8.027 1.00 0.00 C ATOM 633 O THR A 41 5.182 3.900 7.938 1.00 0.00 O ATOM 634 CB THR A 41 7.537 3.586 10.191 1.00 0.00 C ATOM 635 OG1 THR A 41 6.244 3.551 10.808 1.00 0.00 O ATOM 636 CG2 THR A 41 8.482 4.431 11.032 1.00 0.00 C ATOM 0 H THR A 41 6.451 5.886 9.410 1.00 0.00 H new ATOM 0 HA THR A 41 8.367 3.986 8.242 1.00 0.00 H new ATOM 0 HB THR A 41 7.938 2.574 10.129 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.324 3.191 11.716 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.546 4.014 12.037 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.472 4.432 10.576 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.106 5.453 11.086 1.00 0.00 H new ATOM 644 N VAL A 42 6.629 2.233 7.501 1.00 0.00 N ATOM 645 CA VAL A 42 5.654 1.429 6.775 1.00 0.00 C ATOM 646 C VAL A 42 5.877 -0.059 7.022 1.00 0.00 C ATOM 647 O VAL A 42 6.998 -0.496 7.277 1.00 0.00 O ATOM 648 CB VAL A 42 5.718 1.702 5.259 1.00 0.00 C ATOM 649 CG1 VAL A 42 4.559 1.025 4.545 1.00 0.00 C ATOM 650 CG2 VAL A 42 5.722 3.198 4.989 1.00 0.00 C ATOM 0 H VAL A 42 7.557 1.814 7.564 1.00 0.00 H new ATOM 0 HA VAL A 42 4.669 1.713 7.146 1.00 0.00 H new ATOM 0 HB VAL A 42 6.646 1.283 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.621 1.229 3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.607 -0.051 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.617 1.411 4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.767 3.374 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.812 3.643 5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.590 3.652 5.468 1.00 0.00 H new ATOM 660 N GLN A 43 4.799 -0.834 6.943 1.00 0.00 N ATOM 661 CA GLN A 43 4.874 -2.273 7.159 1.00 0.00 C ATOM 662 C GLN A 43 3.915 -3.014 6.233 1.00 0.00 C ATOM 663 O GLN A 43 3.015 -2.414 5.647 1.00 0.00 O ATOM 664 CB GLN A 43 4.558 -2.609 8.617 1.00 0.00 C ATOM 665 CG GLN A 43 5.025 -3.995 9.037 1.00 0.00 C ATOM 666 CD GLN A 43 3.892 -5.001 9.084 1.00 0.00 C ATOM 667 OE1 GLN A 43 2.819 -4.774 8.523 1.00 0.00 O ATOM 668 NE2 GLN A 43 4.124 -6.122 9.756 1.00 0.00 N ATOM 0 H GLN A 43 3.863 -0.488 6.731 1.00 0.00 H new ATOM 0 HA GLN A 43 5.890 -2.596 6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.026 -1.866 9.262 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.482 -2.534 8.773 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.788 -4.344 8.341 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.494 -3.935 10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.028 -6.269 10.206 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.399 -6.836 9.823 1.00 0.00 H new ATOM 677 N GLY A 44 4.114 -4.323 6.108 1.00 0.00 N ATOM 678 CA GLY A 44 3.259 -5.124 5.252 1.00 0.00 C ATOM 679 C GLY A 44 3.936 -5.510 3.952 1.00 0.00 C ATOM 680 O GLY A 44 3.296 -6.036 3.041 1.00 0.00 O ATOM 0 H GLY A 44 4.852 -4.842 6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.961 -6.027 5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.348 -4.568 5.032 1.00 0.00 H new ATOM 684 N VAL A 45 5.237 -5.248 3.864 1.00 0.00 N ATOM 685 CA VAL A 45 6.003 -5.572 2.667 1.00 0.00 C ATOM 686 C VAL A 45 6.094 -7.079 2.462 1.00 0.00 C ATOM 687 O VAL A 45 6.387 -7.839 3.386 1.00 0.00 O ATOM 688 CB VAL A 45 7.427 -4.988 2.736 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.204 -5.324 1.473 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.374 -3.483 2.955 1.00 0.00 C ATOM 0 H VAL A 45 5.782 -4.812 4.608 1.00 0.00 H new ATOM 0 HA VAL A 45 5.475 -5.125 1.825 1.00 0.00 H new ATOM 0 HB VAL A 45 7.946 -5.438 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.207 -4.903 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.271 -6.406 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.691 -4.904 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.388 -3.086 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.838 -3.014 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.858 -3.269 3.891 1.00 0.00 H new ATOM 700 N PRO A 46 5.838 -7.526 1.223 1.00 0.00 N ATOM 701 CA PRO A 46 5.885 -8.947 0.869 1.00 0.00 C ATOM 702 C PRO A 46 7.306 -9.500 0.880 1.00 0.00 C ATOM 703 O PRO A 46 8.265 -8.767 1.123 1.00 0.00 O ATOM 704 CB PRO A 46 5.311 -8.978 -0.550 1.00 0.00 C ATOM 705 CG PRO A 46 5.575 -7.616 -1.095 1.00 0.00 C ATOM 706 CD PRO A 46 5.483 -6.676 0.075 1.00 0.00 C ATOM 0 HA PRO A 46 5.334 -9.563 1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.792 -9.747 -1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.244 -9.201 -0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.560 -7.566 -1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.847 -7.355 -1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.169 -5.835 -0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.481 -6.259 0.178 1.00 0.00 H new ATOM 714 N GLU A 47 7.435 -10.796 0.614 1.00 0.00 N ATOM 715 CA GLU A 47 8.739 -11.446 0.595 1.00 0.00 C ATOM 716 C GLU A 47 9.488 -11.125 -0.696 1.00 0.00 C ATOM 717 O GLU A 47 10.716 -11.067 -0.714 1.00 0.00 O ATOM 718 CB GLU A 47 8.581 -12.961 0.742 1.00 0.00 C ATOM 719 CG GLU A 47 9.749 -13.629 1.449 1.00 0.00 C ATOM 720 CD GLU A 47 9.665 -13.506 2.959 1.00 0.00 C ATOM 721 OE1 GLU A 47 9.776 -12.373 3.470 1.00 0.00 O ATOM 722 OE2 GLU A 47 9.485 -14.546 3.628 1.00 0.00 O ATOM 0 H GLU A 47 6.652 -11.416 0.409 1.00 0.00 H new ATOM 0 HA GLU A 47 9.318 -11.065 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.665 -13.170 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.465 -13.403 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.779 -14.684 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.681 -13.183 1.103 1.00 0.00 H new ATOM 729 N GLU A 48 8.736 -10.919 -1.773 1.00 0.00 N ATOM 730 CA GLU A 48 9.329 -10.605 -3.068 1.00 0.00 C ATOM 731 C GLU A 48 10.087 -9.283 -3.013 1.00 0.00 C ATOM 732 O GLU A 48 10.888 -8.975 -3.898 1.00 0.00 O ATOM 733 CB GLU A 48 8.245 -10.539 -4.147 1.00 0.00 C ATOM 734 CG GLU A 48 8.457 -11.526 -5.283 1.00 0.00 C ATOM 735 CD GLU A 48 7.528 -11.276 -6.455 1.00 0.00 C ATOM 736 OE1 GLU A 48 7.208 -10.097 -6.715 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.121 -12.257 -7.111 1.00 0.00 O ATOM 0 H GLU A 48 7.717 -10.964 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 48 10.034 -11.398 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.275 -10.729 -3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.212 -9.529 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.490 -11.465 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.303 -12.539 -4.912 1.00 0.00 H new ATOM 744 N TYR A 49 9.831 -8.503 -1.969 1.00 0.00 N ATOM 745 CA TYR A 49 10.486 -7.212 -1.800 1.00 0.00 C ATOM 746 C TYR A 49 11.166 -7.121 -0.436 1.00 0.00 C ATOM 747 O TYR A 49 10.508 -6.931 0.587 1.00 0.00 O ATOM 748 CB TYR A 49 9.472 -6.076 -1.952 1.00 0.00 C ATOM 749 CG TYR A 49 10.005 -4.886 -2.717 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.563 -5.041 -3.981 1.00 0.00 C ATOM 751 CD2 TYR A 49 9.953 -3.608 -2.177 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.052 -3.956 -4.683 1.00 0.00 C ATOM 753 CE2 TYR A 49 10.438 -2.517 -2.873 1.00 0.00 C ATOM 754 CZ TYR A 49 10.988 -2.697 -4.125 1.00 0.00 C ATOM 755 OH TYR A 49 11.473 -1.614 -4.821 1.00 0.00 O ATOM 0 H TYR A 49 9.174 -8.743 -1.227 1.00 0.00 H new ATOM 0 HA TYR A 49 11.247 -7.116 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.586 -6.457 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.155 -5.748 -0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.615 -6.026 -4.421 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.526 -3.464 -1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.482 -4.094 -5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.387 -1.529 -2.439 1.00 0.00 H new ATOM 0 HH TYR A 49 11.144 -0.787 -4.410 1.00 0.00 H new ATOM 765 N ASP A 50 12.488 -7.256 -0.433 1.00 0.00 N ATOM 766 CA ASP A 50 13.259 -7.188 0.803 1.00 0.00 C ATOM 767 C ASP A 50 13.658 -5.749 1.115 1.00 0.00 C ATOM 768 O ASP A 50 13.274 -4.819 0.407 1.00 0.00 O ATOM 769 CB ASP A 50 14.508 -8.066 0.699 1.00 0.00 C ATOM 770 CG ASP A 50 14.178 -9.505 0.354 1.00 0.00 C ATOM 771 OD1 ASP A 50 14.078 -9.817 -0.852 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.016 -10.317 1.288 1.00 0.00 O ATOM 0 H ASP A 50 13.047 -7.413 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 50 12.632 -7.557 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.174 -7.657 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.048 -8.037 1.645 1.00 0.00 H new ATOM 777 N LEU A 51 14.430 -5.575 2.183 1.00 0.00 N ATOM 778 CA LEU A 51 14.881 -4.248 2.591 1.00 0.00 C ATOM 779 C LEU A 51 15.934 -3.710 1.627 1.00 0.00 C ATOM 780 O LEU A 51 16.085 -2.498 1.467 1.00 0.00 O ATOM 781 CB LEU A 51 15.449 -4.296 4.011 1.00 0.00 C ATOM 782 CG LEU A 51 15.872 -2.953 4.609 1.00 0.00 C ATOM 783 CD1 LEU A 51 17.252 -2.556 4.110 1.00 0.00 C ATOM 784 CD2 LEU A 51 14.851 -1.875 4.275 1.00 0.00 C ATOM 0 H LEU A 51 14.756 -6.334 2.781 1.00 0.00 H new ATOM 0 HA LEU A 51 14.022 -3.577 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 51 14.701 -4.743 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.313 -4.961 4.013 1.00 0.00 H new ATOM 0 HG LEU A 51 15.918 -3.059 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.535 -1.598 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.977 -3.316 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 51 17.235 -2.469 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.168 -0.927 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.772 -1.771 3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.880 -2.154 4.684 1.00 0.00 H new ATOM 796 N LYS A 52 16.660 -4.618 0.985 1.00 0.00 N ATOM 797 CA LYS A 52 17.698 -4.238 0.033 1.00 0.00 C ATOM 798 C LYS A 52 17.086 -3.836 -1.304 1.00 0.00 C ATOM 799 O LYS A 52 17.597 -2.949 -1.989 1.00 0.00 O ATOM 800 CB LYS A 52 18.681 -5.392 -0.168 1.00 0.00 C ATOM 801 CG LYS A 52 20.012 -4.959 -0.762 1.00 0.00 C ATOM 802 CD LYS A 52 20.928 -4.370 0.298 1.00 0.00 C ATOM 803 CE LYS A 52 22.387 -4.442 -0.125 1.00 0.00 C ATOM 804 NZ LYS A 52 23.086 -3.141 0.065 1.00 0.00 N ATOM 0 H LYS A 52 16.549 -5.625 1.107 1.00 0.00 H new ATOM 0 HA LYS A 52 18.235 -3.381 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.861 -5.877 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.226 -6.137 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 52 20.498 -5.815 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.839 -4.222 -1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.652 -3.332 0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.793 -4.907 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.895 -5.214 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.447 -4.737 -1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.078 -3.233 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.618 -2.409 -0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.052 -2.872 1.069 1.00 0.00 H new ATOM 818 N ARG A 53 15.990 -4.491 -1.671 1.00 0.00 N ATOM 819 CA ARG A 53 15.310 -4.203 -2.927 1.00 0.00 C ATOM 820 C ARG A 53 14.530 -2.894 -2.834 1.00 0.00 C ATOM 821 O ARG A 53 14.432 -2.148 -3.809 1.00 0.00 O ATOM 822 CB ARG A 53 14.363 -5.347 -3.297 1.00 0.00 C ATOM 823 CG ARG A 53 13.971 -5.364 -4.764 1.00 0.00 C ATOM 824 CD ARG A 53 15.101 -5.887 -5.636 1.00 0.00 C ATOM 825 NE ARG A 53 15.080 -5.295 -6.972 1.00 0.00 N ATOM 826 CZ ARG A 53 14.271 -5.701 -7.943 1.00 0.00 C ATOM 827 NH1 ARG A 53 13.421 -6.697 -7.731 1.00 0.00 N ATOM 828 NH2 ARG A 53 14.311 -5.112 -9.131 1.00 0.00 N ATOM 0 H ARG A 53 15.553 -5.226 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 53 16.067 -4.103 -3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.838 -6.296 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.461 -5.271 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.087 -5.988 -4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.701 -4.357 -5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.057 -5.671 -5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.023 -6.971 -5.718 1.00 0.00 H new ATOM 0 HE ARG A 53 15.722 -4.528 -7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.387 -7.154 -6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.801 -7.006 -8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.964 -4.346 -9.299 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.689 -5.425 -9.876 1.00 0.00 H new ATOM 842 N ILE A 54 13.976 -2.625 -1.658 1.00 0.00 N ATOM 843 CA ILE A 54 13.205 -1.407 -1.438 1.00 0.00 C ATOM 844 C ILE A 54 14.122 -0.214 -1.186 1.00 0.00 C ATOM 845 O ILE A 54 13.796 0.919 -1.542 1.00 0.00 O ATOM 846 CB ILE A 54 12.241 -1.558 -0.246 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.320 -0.339 -0.149 1.00 0.00 C ATOM 848 CG2 ILE A 54 13.021 -1.744 1.046 1.00 0.00 C ATOM 849 CD1 ILE A 54 9.882 -0.692 0.152 1.00 0.00 C ATOM 0 H ILE A 54 14.046 -3.233 -0.842 1.00 0.00 H new ATOM 0 HA ILE A 54 12.625 -1.233 -2.345 1.00 0.00 H new ATOM 0 HB ILE A 54 11.625 -2.443 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.693 0.327 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.361 0.213 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.326 -1.849 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.638 -2.640 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.659 -0.877 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.287 0.220 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.492 -1.333 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.828 -1.218 1.105 1.00 0.00 H new ATOM 861 N LEU A 55 15.271 -0.476 -0.574 1.00 0.00 N ATOM 862 CA LEU A 55 16.237 0.575 -0.277 1.00 0.00 C ATOM 863 C LEU A 55 17.038 0.947 -1.521 1.00 0.00 C ATOM 864 O LEU A 55 17.489 2.082 -1.665 1.00 0.00 O ATOM 865 CB LEU A 55 17.184 0.124 0.836 1.00 0.00 C ATOM 866 CG LEU A 55 18.218 1.154 1.296 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.207 1.283 2.812 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.605 0.773 0.800 1.00 0.00 C ATOM 0 H LEU A 55 15.557 -1.408 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 55 15.687 1.456 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.585 -0.170 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.713 -0.766 0.497 1.00 0.00 H new ATOM 0 HG LEU A 55 17.954 2.122 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 55 18.949 2.020 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.219 1.603 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 55 18.445 0.319 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.328 1.516 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 55 19.878 -0.205 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.604 0.734 -0.289 1.00 0.00 H new ATOM 880 N LYS A 56 17.207 -0.018 -2.419 1.00 0.00 N ATOM 881 CA LYS A 56 17.949 0.207 -3.654 1.00 0.00 C ATOM 882 C LYS A 56 17.078 0.906 -4.693 1.00 0.00 C ATOM 883 O LYS A 56 17.549 1.770 -5.433 1.00 0.00 O ATOM 884 CB LYS A 56 18.462 -1.122 -4.214 1.00 0.00 C ATOM 885 CG LYS A 56 19.114 -0.994 -5.580 1.00 0.00 C ATOM 886 CD LYS A 56 20.414 -1.779 -5.653 1.00 0.00 C ATOM 887 CE LYS A 56 21.119 -1.567 -6.984 1.00 0.00 C ATOM 888 NZ LYS A 56 22.262 -2.505 -7.161 1.00 0.00 N ATOM 0 H LYS A 56 16.840 -0.964 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 56 18.799 0.851 -3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.182 -1.548 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.631 -1.824 -4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 56 18.428 -1.353 -6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 56 19.310 0.057 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.071 -1.473 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.208 -2.840 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.407 -1.704 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.479 -0.540 -7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.716 -2.329 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.954 -2.357 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 21.915 -3.485 -7.128 1.00 0.00 H new ATOM 902 N VAL A 57 15.805 0.528 -4.742 1.00 0.00 N ATOM 903 CA VAL A 57 14.867 1.119 -5.688 1.00 0.00 C ATOM 904 C VAL A 57 14.446 2.517 -5.245 1.00 0.00 C ATOM 905 O VAL A 57 14.316 3.427 -6.064 1.00 0.00 O ATOM 906 CB VAL A 57 13.609 0.246 -5.854 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.576 0.956 -6.714 1.00 0.00 C ATOM 908 CG2 VAL A 57 13.976 -1.105 -6.452 1.00 0.00 C ATOM 0 H VAL A 57 15.399 -0.186 -4.137 1.00 0.00 H new ATOM 0 HA VAL A 57 15.384 1.184 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 57 13.172 0.077 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.694 0.324 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.293 1.897 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.999 1.157 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.076 -1.710 -6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.437 -0.957 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.678 -1.616 -5.793 1.00 0.00 H new ATOM 918 N LEU A 58 14.237 2.679 -3.943 1.00 0.00 N ATOM 919 CA LEU A 58 13.832 3.967 -3.389 1.00 0.00 C ATOM 920 C LEU A 58 14.979 4.971 -3.448 1.00 0.00 C ATOM 921 O LEU A 58 14.785 6.131 -3.808 1.00 0.00 O ATOM 922 CB LEU A 58 13.364 3.796 -1.943 1.00 0.00 C ATOM 923 CG LEU A 58 11.986 3.159 -1.755 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.692 2.948 -0.278 1.00 0.00 C ATOM 925 CD2 LEU A 58 10.907 4.020 -2.396 1.00 0.00 C ATOM 0 H LEU A 58 14.341 1.936 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 58 13.007 4.350 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.098 3.189 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.357 4.776 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 58 11.988 2.187 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.708 2.494 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.447 2.290 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.710 3.908 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.934 3.551 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.906 5.007 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.107 4.120 -3.463 1.00 0.00 H new ATOM 937 N LYS A 59 16.176 4.516 -3.094 1.00 0.00 N ATOM 938 CA LYS A 59 17.356 5.371 -3.110 1.00 0.00 C ATOM 939 C LYS A 59 17.753 5.723 -4.540 1.00 0.00 C ATOM 940 O LYS A 59 18.243 6.821 -4.808 1.00 0.00 O ATOM 941 CB LYS A 59 18.523 4.680 -2.401 1.00 0.00 C ATOM 942 CG LYS A 59 19.802 5.499 -2.391 1.00 0.00 C ATOM 943 CD LYS A 59 20.947 4.740 -1.743 1.00 0.00 C ATOM 944 CE LYS A 59 22.295 5.326 -2.132 1.00 0.00 C ATOM 945 NZ LYS A 59 23.286 5.217 -1.026 1.00 0.00 N ATOM 0 H LYS A 59 16.354 3.558 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 59 17.113 6.293 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.234 4.461 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 59 18.718 3.724 -2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 59 20.073 5.764 -3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 59 19.633 6.432 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 59 20.836 4.768 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.905 3.692 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 59 22.675 4.809 -3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 59 22.170 6.374 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.192 5.627 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 22.935 5.732 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 23.424 4.216 -0.781 1.00 0.00 H new ATOM 959 N LYS A 60 17.540 4.785 -5.458 1.00 0.00 N ATOM 960 CA LYS A 60 17.872 4.997 -6.861 1.00 0.00 C ATOM 961 C LYS A 60 16.780 5.794 -7.565 1.00 0.00 C ATOM 962 O LYS A 60 17.045 6.511 -8.530 1.00 0.00 O ATOM 963 CB LYS A 60 18.073 3.653 -7.566 1.00 0.00 C ATOM 964 CG LYS A 60 18.602 3.784 -8.984 1.00 0.00 C ATOM 965 CD LYS A 60 19.729 2.801 -9.251 1.00 0.00 C ATOM 966 CE LYS A 60 19.198 1.393 -9.480 1.00 0.00 C ATOM 967 NZ LYS A 60 19.969 0.674 -10.532 1.00 0.00 N ATOM 0 H LYS A 60 17.138 3.870 -5.254 1.00 0.00 H new ATOM 0 HA LYS A 60 18.799 5.568 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 60 18.766 3.046 -6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 60 17.123 3.119 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 60 17.792 3.612 -9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 60 18.958 4.801 -9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.296 3.124 -10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 60 20.419 2.798 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 60 19.245 0.831 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.148 1.443 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.577 -0.281 -10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.904 1.197 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.966 0.603 -10.245 1.00 0.00 H new ATOM 981 N ASP A 61 15.550 5.664 -7.076 1.00 0.00 N ATOM 982 CA ASP A 61 14.418 6.376 -7.657 1.00 0.00 C ATOM 983 C ASP A 61 14.516 7.873 -7.381 1.00 0.00 C ATOM 984 O ASP A 61 14.701 8.674 -8.298 1.00 0.00 O ATOM 985 CB ASP A 61 13.104 5.826 -7.102 1.00 0.00 C ATOM 986 CG ASP A 61 11.903 6.644 -7.536 1.00 0.00 C ATOM 987 OD1 ASP A 61 11.838 7.011 -8.728 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.031 6.918 -6.686 1.00 0.00 O ATOM 0 H ASP A 61 15.313 5.073 -6.280 1.00 0.00 H new ATOM 0 HA ASP A 61 14.440 6.223 -8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.976 4.795 -7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.153 5.807 -6.013 1.00 0.00 H new ATOM 993 N PHE A 62 14.389 8.244 -6.112 1.00 0.00 N ATOM 994 CA PHE A 62 14.461 9.646 -5.714 1.00 0.00 C ATOM 995 C PHE A 62 15.228 9.799 -4.403 1.00 0.00 C ATOM 996 O PHE A 62 14.906 10.657 -3.581 1.00 0.00 O ATOM 997 CB PHE A 62 13.055 10.228 -5.567 1.00 0.00 C ATOM 998 CG PHE A 62 12.329 10.380 -6.872 1.00 0.00 C ATOM 999 CD1 PHE A 62 12.926 11.031 -7.940 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.051 9.871 -7.033 1.00 0.00 C ATOM 1001 CE1 PHE A 62 12.260 11.172 -9.143 1.00 0.00 C ATOM 1002 CE2 PHE A 62 10.380 10.008 -8.233 1.00 0.00 C ATOM 1003 CZ PHE A 62 10.985 10.659 -9.291 1.00 0.00 C ATOM 0 H PHE A 62 14.236 7.594 -5.341 1.00 0.00 H new ATOM 0 HA PHE A 62 14.993 10.193 -6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.471 9.585 -4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.123 11.202 -5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.923 11.433 -7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.573 9.361 -6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.736 11.683 -9.967 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.384 9.607 -8.344 1.00 0.00 H new ATOM 0 HZ PHE A 62 10.463 10.767 -10.231 1.00 0.00 H new ATOM 1013 N ALA A 63 16.243 8.962 -4.216 1.00 0.00 N ATOM 1014 CA ALA A 63 17.057 9.006 -3.007 1.00 0.00 C ATOM 1015 C ALA A 63 16.184 8.979 -1.757 1.00 0.00 C ATOM 1016 O ALA A 63 16.214 9.908 -0.948 1.00 0.00 O ATOM 1017 CB ALA A 63 17.940 10.245 -3.009 1.00 0.00 C ATOM 0 H ALA A 63 16.521 8.245 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 63 17.693 8.121 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.542 10.264 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.597 10.222 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.315 11.137 -3.049 1.00 0.00 H new ATOM 1023 N CYS A 64 15.409 7.912 -1.604 1.00 0.00 N ATOM 1024 CA CYS A 64 14.526 7.766 -0.454 1.00 0.00 C ATOM 1025 C CYS A 64 15.057 6.705 0.506 1.00 0.00 C ATOM 1026 O CYS A 64 14.823 5.512 0.322 1.00 0.00 O ATOM 1027 CB CYS A 64 13.115 7.395 -0.910 1.00 0.00 C ATOM 1028 SG CYS A 64 11.915 8.740 -0.762 1.00 0.00 S ATOM 0 H CYS A 64 15.374 7.134 -2.263 1.00 0.00 H new ATOM 0 HA CYS A 64 14.491 8.722 0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.154 7.070 -1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.767 6.545 -0.323 1.00 0.00 H new ATOM 0 HG CYS A 64 10.752 8.331 -1.174 1.00 0.00 H new ATOM 1034 N ASN A 65 15.775 7.150 1.534 1.00 0.00 N ATOM 1035 CA ASN A 65 16.342 6.240 2.522 1.00 0.00 C ATOM 1036 C ASN A 65 15.275 5.293 3.063 1.00 0.00 C ATOM 1037 O ASN A 65 14.450 5.680 3.891 1.00 0.00 O ATOM 1038 CB ASN A 65 16.971 7.028 3.671 1.00 0.00 C ATOM 1039 CG ASN A 65 18.464 6.787 3.787 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.269 7.693 3.569 1.00 0.00 O ATOM 1041 ND2 ASN A 65 18.840 5.562 4.135 1.00 0.00 N ATOM 0 H ASN A 65 15.977 8.135 1.703 1.00 0.00 H new ATOM 0 HA ASN A 65 17.115 5.647 2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.788 8.092 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.487 6.750 4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 65 19.831 5.341 4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.138 4.842 4.306 1.00 0.00 H new ATOM 1048 N GLY A 66 15.298 4.051 2.592 1.00 0.00 N ATOM 1049 CA GLY A 66 14.327 3.068 3.041 1.00 0.00 C ATOM 1050 C GLY A 66 14.964 1.948 3.838 1.00 0.00 C ATOM 1051 O GLY A 66 15.198 0.858 3.315 1.00 0.00 O ATOM 0 H GLY A 66 15.971 3.707 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.571 3.561 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.813 2.648 2.176 1.00 0.00 H new ATOM 1055 N ASN A 67 15.247 2.215 5.109 1.00 0.00 N ATOM 1056 CA ASN A 67 15.864 1.221 5.981 1.00 0.00 C ATOM 1057 C ASN A 67 14.803 0.438 6.747 1.00 0.00 C ATOM 1058 O ASN A 67 13.612 0.736 6.658 1.00 0.00 O ATOM 1059 CB ASN A 67 16.823 1.897 6.962 1.00 0.00 C ATOM 1060 CG ASN A 67 17.545 3.080 6.344 1.00 0.00 C ATOM 1061 OD1 ASN A 67 18.545 2.913 5.645 1.00 0.00 O ATOM 1062 ND2 ASN A 67 17.039 4.280 6.598 1.00 0.00 N ATOM 0 H ASN A 67 15.059 3.111 5.558 1.00 0.00 H new ATOM 0 HA ASN A 67 16.425 0.525 5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.266 2.232 7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.556 1.169 7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.481 5.113 6.208 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.208 4.370 7.183 1.00 0.00 H new ATOM 1069 N ILE A 68 15.244 -0.564 7.500 1.00 0.00 N ATOM 1070 CA ILE A 68 14.334 -1.389 8.284 1.00 0.00 C ATOM 1071 C ILE A 68 14.705 -1.367 9.763 1.00 0.00 C ATOM 1072 O ILE A 68 15.857 -1.114 10.121 1.00 0.00 O ATOM 1073 CB ILE A 68 14.326 -2.847 7.789 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.108 -3.591 8.340 1.00 0.00 C ATOM 1075 CG2 ILE A 68 15.612 -3.550 8.196 1.00 0.00 C ATOM 1076 CD1 ILE A 68 12.688 -4.773 7.495 1.00 0.00 C ATOM 0 H ILE A 68 16.227 -0.824 7.584 1.00 0.00 H new ATOM 0 HA ILE A 68 13.338 -0.966 8.157 1.00 0.00 H new ATOM 0 HB ILE A 68 14.263 -2.845 6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.330 -3.937 9.349 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.272 -2.895 8.418 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.592 -4.580 7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.465 -3.031 7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 68 15.702 -3.544 9.282 1.00 0.00 H new ATOM 0 HD11 ILE A 68 11.819 -5.252 7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.434 -4.431 6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.508 -5.489 7.438 1.00 0.00 H new ATOM 1088 N VAL A 69 13.726 -1.638 10.619 1.00 0.00 N ATOM 1089 CA VAL A 69 13.951 -1.652 12.059 1.00 0.00 C ATOM 1090 C VAL A 69 13.163 -2.774 12.726 1.00 0.00 C ATOM 1091 O VAL A 69 12.296 -3.393 12.108 1.00 0.00 O ATOM 1092 CB VAL A 69 13.558 -0.309 12.703 1.00 0.00 C ATOM 1093 CG1 VAL A 69 14.385 -0.053 13.953 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.719 0.827 11.704 1.00 0.00 C ATOM 0 H VAL A 69 12.768 -1.851 10.340 1.00 0.00 H new ATOM 0 HA VAL A 69 15.017 -1.820 12.211 1.00 0.00 H new ATOM 0 HB VAL A 69 12.509 -0.359 12.996 1.00 0.00 H new ATOM 0 HG11 VAL A 69 14.093 0.900 14.394 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.214 -0.853 14.673 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.442 -0.022 13.690 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.437 1.769 12.175 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.758 0.881 11.379 1.00 0.00 H new ATOM 0 HG23 VAL A 69 13.077 0.647 10.841 1.00 0.00 H new ATOM 1104 N LYS A 70 13.467 -3.030 13.995 1.00 0.00 N ATOM 1105 CA LYS A 70 12.786 -4.076 14.749 1.00 0.00 C ATOM 1106 C LYS A 70 12.190 -3.517 16.037 1.00 0.00 C ATOM 1107 O LYS A 70 12.916 -3.164 16.966 1.00 0.00 O ATOM 1108 CB LYS A 70 13.757 -5.212 15.075 1.00 0.00 C ATOM 1109 CG LYS A 70 13.220 -6.197 16.100 1.00 0.00 C ATOM 1110 CD LYS A 70 14.234 -7.284 16.412 1.00 0.00 C ATOM 1111 CE LYS A 70 13.836 -8.078 17.648 1.00 0.00 C ATOM 1112 NZ LYS A 70 15.015 -8.701 18.311 1.00 0.00 N ATOM 0 H LYS A 70 14.181 -2.527 14.522 1.00 0.00 H new ATOM 0 HA LYS A 70 11.975 -4.465 14.133 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.995 -5.750 14.157 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.689 -4.786 15.446 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.961 -5.666 17.016 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.303 -6.651 15.725 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.322 -7.957 15.559 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.215 -6.835 16.567 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.328 -7.421 18.354 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.125 -8.855 17.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.702 -9.233 19.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.486 -9.348 17.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.682 -7.958 18.602 1.00 0.00 H new ATOM 1126 N ASP A 71 10.865 -3.441 16.085 1.00 0.00 N ATOM 1127 CA ASP A 71 10.171 -2.926 17.261 1.00 0.00 C ATOM 1128 C ASP A 71 9.628 -4.069 18.114 1.00 0.00 C ATOM 1129 O ASP A 71 9.439 -5.192 17.644 1.00 0.00 O ATOM 1130 CB ASP A 71 9.030 -2.000 16.842 1.00 0.00 C ATOM 1131 CG ASP A 71 9.457 -0.546 16.780 1.00 0.00 C ATOM 1132 OD1 ASP A 71 10.676 -0.289 16.696 1.00 0.00 O ATOM 1133 OD2 ASP A 71 8.571 0.334 16.817 1.00 0.00 O ATOM 0 H ASP A 71 10.250 -3.729 15.324 1.00 0.00 H new ATOM 0 HA ASP A 71 10.887 -2.360 17.856 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.656 -2.308 15.865 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.205 -2.104 17.546 1.00 0.00 H new ATOM 1138 N PRO A 72 9.372 -3.780 19.399 1.00 0.00 N ATOM 1139 CA PRO A 72 8.848 -4.770 20.344 1.00 0.00 C ATOM 1140 C PRO A 72 7.403 -5.153 20.040 1.00 0.00 C ATOM 1141 O PRO A 72 6.854 -6.069 20.651 1.00 0.00 O ATOM 1142 CB PRO A 72 8.938 -4.054 21.694 1.00 0.00 C ATOM 1143 CG PRO A 72 8.889 -2.603 21.358 1.00 0.00 C ATOM 1144 CD PRO A 72 9.574 -2.464 20.026 1.00 0.00 C ATOM 0 HA PRO A 72 9.405 -5.706 20.304 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.113 -4.337 22.348 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.860 -4.308 22.216 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.859 -2.249 21.306 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.393 -2.009 22.120 1.00 0.00 H new ATOM 0 HD2 PRO A 72 9.135 -1.664 19.430 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.633 -2.232 20.141 1.00 0.00 H new ATOM 1152 N GLU A 73 6.794 -4.447 19.093 1.00 0.00 N ATOM 1153 CA GLU A 73 5.413 -4.713 18.710 1.00 0.00 C ATOM 1154 C GLU A 73 5.349 -5.756 17.597 1.00 0.00 C ATOM 1155 O GLU A 73 4.398 -6.533 17.514 1.00 0.00 O ATOM 1156 CB GLU A 73 4.729 -3.424 18.254 1.00 0.00 C ATOM 1157 CG GLU A 73 3.242 -3.586 17.984 1.00 0.00 C ATOM 1158 CD GLU A 73 2.388 -3.215 19.181 1.00 0.00 C ATOM 1159 OE1 GLU A 73 2.540 -2.086 19.693 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.568 -4.056 19.608 1.00 0.00 O ATOM 0 H GLU A 73 7.236 -3.686 18.577 1.00 0.00 H new ATOM 0 HA GLU A 73 4.890 -5.104 19.583 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.870 -2.658 19.017 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.217 -3.065 17.348 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.961 -2.963 17.135 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.038 -4.619 17.703 1.00 0.00 H new ATOM 1167 N MET A 74 6.369 -5.767 16.745 1.00 0.00 N ATOM 1168 CA MET A 74 6.430 -6.715 15.639 1.00 0.00 C ATOM 1169 C MET A 74 7.873 -7.095 15.326 1.00 0.00 C ATOM 1170 O MET A 74 8.273 -8.247 15.500 1.00 0.00 O ATOM 1171 CB MET A 74 5.767 -6.121 14.394 1.00 0.00 C ATOM 1172 CG MET A 74 4.959 -7.131 13.594 1.00 0.00 C ATOM 1173 SD MET A 74 3.222 -6.672 13.449 1.00 0.00 S ATOM 1174 CE MET A 74 2.577 -8.069 12.533 1.00 0.00 C ATOM 0 H MET A 74 7.164 -5.130 16.799 1.00 0.00 H new ATOM 0 HA MET A 74 5.892 -7.615 15.936 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.113 -5.303 14.696 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.537 -5.693 13.752 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.390 -7.227 12.597 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.034 -8.109 14.070 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.509 -7.932 12.364 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.089 -8.143 11.574 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.739 -8.984 13.103 1.00 0.00 H new ATOM 1184 N GLY A 75 8.651 -6.121 14.866 1.00 0.00 N ATOM 1185 CA GLY A 75 10.042 -6.375 14.537 1.00 0.00 C ATOM 1186 C GLY A 75 10.307 -6.314 13.046 1.00 0.00 C ATOM 1187 O GLY A 75 11.154 -7.041 12.530 1.00 0.00 O ATOM 0 H GLY A 75 8.344 -5.160 14.715 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.671 -5.644 15.045 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.327 -7.357 14.913 1.00 0.00 H new ATOM 1191 N GLU A 76 9.576 -5.445 12.352 1.00 0.00 N ATOM 1192 CA GLU A 76 9.734 -5.294 10.911 1.00 0.00 C ATOM 1193 C GLU A 76 9.251 -3.923 10.451 1.00 0.00 C ATOM 1194 O GLU A 76 8.623 -3.795 9.399 1.00 0.00 O ATOM 1195 CB GLU A 76 8.965 -6.393 10.173 1.00 0.00 C ATOM 1196 CG GLU A 76 9.756 -7.040 9.049 1.00 0.00 C ATOM 1197 CD GLU A 76 10.620 -8.191 9.530 1.00 0.00 C ATOM 1198 OE1 GLU A 76 10.100 -9.054 10.267 1.00 0.00 O ATOM 1199 OE2 GLU A 76 11.815 -8.226 9.170 1.00 0.00 O ATOM 0 H GLU A 76 8.870 -4.836 12.765 1.00 0.00 H new ATOM 0 HA GLU A 76 10.795 -5.383 10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.671 -7.161 10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.047 -5.970 9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.067 -7.402 8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.389 -6.289 8.576 1.00 0.00 H new ATOM 1206 N ILE A 77 9.548 -2.900 11.245 1.00 0.00 N ATOM 1207 CA ILE A 77 9.145 -1.537 10.919 1.00 0.00 C ATOM 1208 C ILE A 77 10.088 -0.913 9.897 1.00 0.00 C ATOM 1209 O ILE A 77 11.204 -0.513 10.231 1.00 0.00 O ATOM 1210 CB ILE A 77 9.105 -0.647 12.175 1.00 0.00 C ATOM 1211 CG1 ILE A 77 8.323 -1.338 13.294 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.487 0.704 11.848 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.885 -1.637 12.930 1.00 0.00 C ATOM 0 H ILE A 77 10.066 -2.989 12.119 1.00 0.00 H new ATOM 0 HA ILE A 77 8.143 -1.598 10.494 1.00 0.00 H new ATOM 0 HB ILE A 77 10.127 -0.485 12.518 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.825 -2.270 13.555 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.341 -0.707 14.182 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.466 1.321 12.746 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.081 1.200 11.081 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.470 0.560 11.483 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.391 -2.127 13.770 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.367 -0.706 12.697 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.859 -2.294 12.060 1.00 0.00 H new ATOM 1225 N ILE A 78 9.633 -0.833 8.652 1.00 0.00 N ATOM 1226 CA ILE A 78 10.437 -0.255 7.581 1.00 0.00 C ATOM 1227 C ILE A 78 10.471 1.266 7.681 1.00 0.00 C ATOM 1228 O ILE A 78 9.502 1.942 7.339 1.00 0.00 O ATOM 1229 CB ILE A 78 9.898 -0.656 6.194 1.00 0.00 C ATOM 1230 CG1 ILE A 78 9.770 -2.177 6.093 1.00 0.00 C ATOM 1231 CG2 ILE A 78 10.807 -0.121 5.099 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.349 -2.652 5.892 1.00 0.00 C ATOM 0 H ILE A 78 8.713 -1.161 8.359 1.00 0.00 H new ATOM 0 HA ILE A 78 11.447 -0.647 7.696 1.00 0.00 H new ATOM 0 HB ILE A 78 8.908 -0.218 6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.383 -2.531 5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.170 -2.628 7.001 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.414 -0.412 4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.852 0.966 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.808 -0.533 5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.335 -3.740 5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.735 -2.329 6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.951 -2.230 4.969 1.00 0.00 H new ATOM 1244 N GLN A 79 11.596 1.798 8.149 1.00 0.00 N ATOM 1245 CA GLN A 79 11.758 3.239 8.291 1.00 0.00 C ATOM 1246 C GLN A 79 12.076 3.887 6.948 1.00 0.00 C ATOM 1247 O GLN A 79 12.989 3.460 6.241 1.00 0.00 O ATOM 1248 CB GLN A 79 12.867 3.551 9.298 1.00 0.00 C ATOM 1249 CG GLN A 79 13.058 5.039 9.550 1.00 0.00 C ATOM 1250 CD GLN A 79 14.355 5.346 10.272 1.00 0.00 C ATOM 1251 OE1 GLN A 79 14.575 4.897 11.397 1.00 0.00 O ATOM 1252 NE2 GLN A 79 15.225 6.116 9.627 1.00 0.00 N ATOM 0 H GLN A 79 12.408 1.252 8.436 1.00 0.00 H new ATOM 0 HA GLN A 79 10.818 3.651 8.657 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.638 3.057 10.242 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.804 3.129 8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.042 5.570 8.598 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.221 5.414 10.139 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.003 6.467 8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 79 16.115 6.356 10.063 1.00 0.00 H new ATOM 1261 N LEU A 80 11.317 4.921 6.602 1.00 0.00 N ATOM 1262 CA LEU A 80 11.517 5.629 5.342 1.00 0.00 C ATOM 1263 C LEU A 80 11.706 7.123 5.580 1.00 0.00 C ATOM 1264 O LEU A 80 10.777 7.817 5.993 1.00 0.00 O ATOM 1265 CB LEU A 80 10.328 5.396 4.408 1.00 0.00 C ATOM 1266 CG LEU A 80 10.651 4.764 3.054 1.00 0.00 C ATOM 1267 CD1 LEU A 80 11.760 5.536 2.356 1.00 0.00 C ATOM 1268 CD2 LEU A 80 11.040 3.303 3.226 1.00 0.00 C ATOM 0 H LEU A 80 10.558 5.288 7.176 1.00 0.00 H new ATOM 0 HA LEU A 80 12.420 5.238 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.608 4.759 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.837 6.353 4.232 1.00 0.00 H new ATOM 0 HG LEU A 80 9.758 4.809 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.977 5.072 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.442 6.567 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 80 12.657 5.524 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.266 2.870 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.919 3.234 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.214 2.758 3.682 1.00 0.00 H new ATOM 1280 N GLN A 81 12.914 7.611 5.317 1.00 0.00 N ATOM 1281 CA GLN A 81 13.223 9.024 5.502 1.00 0.00 C ATOM 1282 C GLN A 81 13.110 9.784 4.184 1.00 0.00 C ATOM 1283 O GLN A 81 13.810 9.481 3.220 1.00 0.00 O ATOM 1284 CB GLN A 81 14.631 9.188 6.079 1.00 0.00 C ATOM 1285 CG GLN A 81 14.827 10.489 6.841 1.00 0.00 C ATOM 1286 CD GLN A 81 16.039 11.266 6.366 1.00 0.00 C ATOM 1287 OE1 GLN A 81 17.121 11.165 6.945 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.863 12.047 5.307 1.00 0.00 N ATOM 0 H GLN A 81 13.694 7.049 4.975 1.00 0.00 H new ATOM 0 HA GLN A 81 12.499 9.439 6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.842 8.351 6.745 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.356 9.139 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.937 11.108 6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.933 10.271 7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.948 12.100 4.859 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.642 12.594 4.942 1.00 0.00 H new ATOM 1297 N GLY A 82 12.221 10.772 4.151 1.00 0.00 N ATOM 1298 CA GLY A 82 12.031 11.559 2.947 1.00 0.00 C ATOM 1299 C GLY A 82 10.699 12.283 2.932 1.00 0.00 C ATOM 1300 O GLY A 82 9.788 11.939 3.685 1.00 0.00 O ATOM 0 H GLY A 82 11.629 11.041 4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.838 12.287 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.096 10.907 2.076 1.00 0.00 H new ATOM 1304 N ASP A 83 10.586 13.289 2.071 1.00 0.00 N ATOM 1305 CA ASP A 83 9.355 14.064 1.961 1.00 0.00 C ATOM 1306 C ASP A 83 8.482 13.539 0.825 1.00 0.00 C ATOM 1307 O ASP A 83 7.734 14.294 0.206 1.00 0.00 O ATOM 1308 CB ASP A 83 9.677 15.542 1.730 1.00 0.00 C ATOM 1309 CG ASP A 83 10.744 15.744 0.673 1.00 0.00 C ATOM 1310 OD1 ASP A 83 10.405 15.697 -0.529 1.00 0.00 O ATOM 1311 OD2 ASP A 83 11.917 15.950 1.045 1.00 0.00 O ATOM 0 H ASP A 83 11.330 13.586 1.440 1.00 0.00 H new ATOM 0 HA ASP A 83 8.805 13.961 2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.769 16.066 1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.009 15.989 2.667 1.00 0.00 H new ATOM 1316 N GLN A 84 8.584 12.241 0.559 1.00 0.00 N ATOM 1317 CA GLN A 84 7.805 11.616 -0.503 1.00 0.00 C ATOM 1318 C GLN A 84 6.834 10.587 0.069 1.00 0.00 C ATOM 1319 O GLN A 84 6.851 9.419 -0.322 1.00 0.00 O ATOM 1320 CB GLN A 84 8.734 10.949 -1.520 1.00 0.00 C ATOM 1321 CG GLN A 84 9.896 11.828 -1.951 1.00 0.00 C ATOM 1322 CD GLN A 84 9.982 11.985 -3.456 1.00 0.00 C ATOM 1323 OE1 GLN A 84 10.993 11.645 -4.071 1.00 0.00 O ATOM 1324 NE2 GLN A 84 8.918 12.503 -4.060 1.00 0.00 N ATOM 0 H GLN A 84 9.198 11.602 1.064 1.00 0.00 H new ATOM 0 HA GLN A 84 7.228 12.394 -1.004 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.126 10.027 -1.091 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.155 10.670 -2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.792 12.811 -1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.827 11.400 -1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.101 12.771 -3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.918 12.632 -5.072 1.00 0.00 H new ATOM 1333 N ARG A 85 5.990 11.027 0.996 1.00 0.00 N ATOM 1334 CA ARG A 85 5.013 10.145 1.622 1.00 0.00 C ATOM 1335 C ARG A 85 4.079 9.541 0.577 1.00 0.00 C ATOM 1336 O ARG A 85 3.986 8.322 0.444 1.00 0.00 O ATOM 1337 CB ARG A 85 4.200 10.910 2.668 1.00 0.00 C ATOM 1338 CG ARG A 85 3.511 10.009 3.679 1.00 0.00 C ATOM 1339 CD ARG A 85 2.258 9.373 3.096 1.00 0.00 C ATOM 1340 NE ARG A 85 1.235 9.147 4.113 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.430 10.099 4.571 1.00 0.00 C ATOM 1342 NH1 ARG A 85 0.529 11.336 4.105 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.476 9.815 5.497 1.00 0.00 N ATOM 0 H ARG A 85 5.963 11.990 1.330 1.00 0.00 H new ATOM 0 HA ARG A 85 5.553 9.335 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.859 11.598 3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.448 11.515 2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.200 9.229 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.248 10.588 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.855 10.016 2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.518 8.424 2.626 1.00 0.00 H new ATOM 0 HE ARG A 85 1.133 8.206 4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.225 11.559 3.393 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.090 12.065 4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.555 8.864 5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.094 10.547 5.848 1.00 0.00 H new ATOM 1357 N ALA A 86 3.389 10.405 -0.161 1.00 0.00 N ATOM 1358 CA ALA A 86 2.462 9.957 -1.193 1.00 0.00 C ATOM 1359 C ALA A 86 3.144 8.998 -2.165 1.00 0.00 C ATOM 1360 O ALA A 86 2.496 8.138 -2.762 1.00 0.00 O ATOM 1361 CB ALA A 86 1.890 11.150 -1.943 1.00 0.00 C ATOM 0 H ALA A 86 3.455 11.418 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 86 1.647 9.422 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.200 10.800 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.359 11.798 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.701 11.708 -2.411 1.00 0.00 H new ATOM 1367 N LYS A 87 4.455 9.152 -2.318 1.00 0.00 N ATOM 1368 CA LYS A 87 5.226 8.301 -3.216 1.00 0.00 C ATOM 1369 C LYS A 87 5.390 6.902 -2.632 1.00 0.00 C ATOM 1370 O LYS A 87 5.236 5.903 -3.333 1.00 0.00 O ATOM 1371 CB LYS A 87 6.600 8.918 -3.483 1.00 0.00 C ATOM 1372 CG LYS A 87 7.128 8.648 -4.881 1.00 0.00 C ATOM 1373 CD LYS A 87 6.565 9.634 -5.890 1.00 0.00 C ATOM 1374 CE LYS A 87 5.335 9.077 -6.588 1.00 0.00 C ATOM 1375 NZ LYS A 87 5.201 9.599 -7.977 1.00 0.00 N ATOM 0 H LYS A 87 5.006 9.859 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 87 4.682 8.221 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.541 9.995 -3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.311 8.529 -2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.216 8.710 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.868 7.632 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.308 10.565 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.328 9.873 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.393 7.989 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.444 9.335 -6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.350 9.196 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.120 10.636 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.039 9.331 -8.531 1.00 0.00 H new ATOM 1389 N VAL A 88 5.704 6.838 -1.341 1.00 0.00 N ATOM 1390 CA VAL A 88 5.886 5.560 -0.661 1.00 0.00 C ATOM 1391 C VAL A 88 4.604 4.738 -0.684 1.00 0.00 C ATOM 1392 O VAL A 88 4.643 3.508 -0.749 1.00 0.00 O ATOM 1393 CB VAL A 88 6.329 5.762 0.800 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.577 4.420 1.472 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.572 6.637 0.864 1.00 0.00 C ATOM 0 H VAL A 88 5.837 7.655 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 88 6.667 5.022 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 88 5.528 6.269 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.889 4.582 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.660 3.831 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.360 3.884 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.871 6.769 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.382 6.160 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.355 7.610 0.422 1.00 0.00 H new ATOM 1405 N CYS A 89 3.468 5.423 -0.628 1.00 0.00 N ATOM 1406 CA CYS A 89 2.171 4.755 -0.641 1.00 0.00 C ATOM 1407 C CYS A 89 1.825 4.268 -2.044 1.00 0.00 C ATOM 1408 O CYS A 89 1.241 3.197 -2.211 1.00 0.00 O ATOM 1409 CB CYS A 89 1.080 5.701 -0.134 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.347 4.862 0.592 1.00 0.00 S ATOM 0 H CYS A 89 3.418 6.440 -0.573 1.00 0.00 H new ATOM 0 HA CYS A 89 2.229 3.891 0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.512 6.370 0.610 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.740 6.323 -0.962 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.212 5.746 0.992 1.00 0.00 H new ATOM 1416 N GLU A 90 2.187 5.061 -3.047 1.00 0.00 N ATOM 1417 CA GLU A 90 1.912 4.709 -4.435 1.00 0.00 C ATOM 1418 C GLU A 90 2.808 3.561 -4.893 1.00 0.00 C ATOM 1419 O GLU A 90 2.378 2.688 -5.646 1.00 0.00 O ATOM 1420 CB GLU A 90 2.119 5.924 -5.341 1.00 0.00 C ATOM 1421 CG GLU A 90 0.829 6.641 -5.702 1.00 0.00 C ATOM 1422 CD GLU A 90 1.071 7.940 -6.445 1.00 0.00 C ATOM 1423 OE1 GLU A 90 1.551 8.905 -5.813 1.00 0.00 O ATOM 1424 OE2 GLU A 90 0.781 7.993 -7.658 1.00 0.00 O ATOM 0 H GLU A 90 2.671 5.951 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 90 0.873 4.385 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.789 6.627 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.615 5.603 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.213 5.985 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.265 6.847 -4.792 1.00 0.00 H new ATOM 1431 N PHE A 91 4.055 3.571 -4.433 1.00 0.00 N ATOM 1432 CA PHE A 91 5.012 2.532 -4.797 1.00 0.00 C ATOM 1433 C PHE A 91 4.692 1.224 -4.080 1.00 0.00 C ATOM 1434 O PHE A 91 4.904 0.139 -4.621 1.00 0.00 O ATOM 1435 CB PHE A 91 6.435 2.979 -4.456 1.00 0.00 C ATOM 1436 CG PHE A 91 7.478 2.399 -5.367 1.00 0.00 C ATOM 1437 CD1 PHE A 91 7.774 1.045 -5.332 1.00 0.00 C ATOM 1438 CD2 PHE A 91 8.166 3.207 -6.259 1.00 0.00 C ATOM 1439 CE1 PHE A 91 8.733 0.509 -6.168 1.00 0.00 C ATOM 1440 CE2 PHE A 91 9.126 2.675 -7.099 1.00 0.00 C ATOM 1441 CZ PHE A 91 9.412 1.325 -7.052 1.00 0.00 C ATOM 0 H PHE A 91 4.426 4.286 -3.808 1.00 0.00 H new ATOM 0 HA PHE A 91 4.939 2.364 -5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.487 4.067 -4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.661 2.693 -3.429 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.248 0.402 -4.642 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.949 4.264 -6.298 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.952 -0.548 -6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.652 3.315 -7.792 1.00 0.00 H new ATOM 0 HZ PHE A 91 10.165 0.908 -7.705 1.00 0.00 H new ATOM 1451 N MET A 92 4.179 1.335 -2.859 1.00 0.00 N ATOM 1452 CA MET A 92 3.829 0.160 -2.067 1.00 0.00 C ATOM 1453 C MET A 92 2.660 -0.590 -2.696 1.00 0.00 C ATOM 1454 O MET A 92 2.722 -1.804 -2.889 1.00 0.00 O ATOM 1455 CB MET A 92 3.476 0.571 -0.636 1.00 0.00 C ATOM 1456 CG MET A 92 4.542 0.200 0.382 1.00 0.00 C ATOM 1457 SD MET A 92 6.153 0.909 -0.010 1.00 0.00 S ATOM 1458 CE MET A 92 6.958 0.824 1.588 1.00 0.00 C ATOM 0 H MET A 92 3.996 2.225 -2.396 1.00 0.00 H new ATOM 0 HA MET A 92 4.693 -0.504 -2.044 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.315 1.649 -0.605 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.535 0.100 -0.353 1.00 0.00 H new ATOM 0 HG2 MET A 92 4.230 0.540 1.369 1.00 0.00 H new ATOM 0 HG3 MET A 92 4.629 -0.885 0.432 1.00 0.00 H new ATOM 0 HE1 MET A 92 7.961 1.244 1.513 1.00 0.00 H new ATOM 0 HE2 MET A 92 6.380 1.392 2.317 1.00 0.00 H new ATOM 0 HE3 MET A 92 7.023 -0.216 1.908 1.00 0.00 H new ATOM 1468 N ILE A 93 1.596 0.140 -3.014 1.00 0.00 N ATOM 1469 CA ILE A 93 0.414 -0.458 -3.622 1.00 0.00 C ATOM 1470 C ILE A 93 0.731 -1.020 -5.003 1.00 0.00 C ATOM 1471 O ILE A 93 0.224 -2.074 -5.387 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.732 0.563 -3.747 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.073 1.150 -2.375 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -1.958 -0.089 -4.368 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.922 2.400 -2.447 1.00 0.00 C ATOM 0 H ILE A 93 1.528 1.146 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 93 0.098 -1.269 -2.966 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.406 1.374 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.598 0.397 -1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.148 1.379 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.759 0.646 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.707 -0.464 -5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.287 -0.917 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.125 2.761 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.390 3.169 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.863 2.172 -2.947 1.00 0.00 H new ATOM 1487 N SER A 94 1.574 -0.311 -5.746 1.00 0.00 N ATOM 1488 CA SER A 94 1.958 -0.738 -7.087 1.00 0.00 C ATOM 1489 C SER A 94 2.960 -1.886 -7.024 1.00 0.00 C ATOM 1490 O SER A 94 3.144 -2.617 -7.998 1.00 0.00 O ATOM 1491 CB SER A 94 2.556 0.434 -7.866 1.00 0.00 C ATOM 1492 OG SER A 94 3.805 0.824 -7.324 1.00 0.00 O ATOM 0 H SER A 94 2.005 0.562 -5.442 1.00 0.00 H new ATOM 0 HA SER A 94 1.063 -1.087 -7.601 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.682 0.153 -8.912 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.867 1.278 -7.844 1.00 0.00 H new ATOM 0 HG SER A 94 3.899 0.456 -6.420 1.00 0.00 H new ATOM 1498 N GLN A 95 3.607 -2.038 -5.872 1.00 0.00 N ATOM 1499 CA GLN A 95 4.592 -3.096 -5.684 1.00 0.00 C ATOM 1500 C GLN A 95 3.922 -4.384 -5.216 1.00 0.00 C ATOM 1501 O GLN A 95 4.452 -5.478 -5.418 1.00 0.00 O ATOM 1502 CB GLN A 95 5.651 -2.661 -4.669 1.00 0.00 C ATOM 1503 CG GLN A 95 6.697 -3.726 -4.386 1.00 0.00 C ATOM 1504 CD GLN A 95 7.365 -4.237 -5.648 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.171 -5.386 -6.046 1.00 0.00 O ATOM 1506 NE2 GLN A 95 8.158 -3.384 -6.286 1.00 0.00 N ATOM 0 H GLN A 95 3.466 -1.442 -5.056 1.00 0.00 H new ATOM 0 HA GLN A 95 5.074 -3.285 -6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.149 -1.764 -5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.158 -2.391 -3.735 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.455 -3.317 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.229 -4.560 -3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.291 -2.441 -5.921 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.634 -3.672 -7.141 1.00 0.00 H new ATOM 1515 N LEU A 96 2.758 -4.247 -4.591 1.00 0.00 N ATOM 1516 CA LEU A 96 2.017 -5.402 -4.095 1.00 0.00 C ATOM 1517 C LEU A 96 0.979 -5.862 -5.114 1.00 0.00 C ATOM 1518 O LEU A 96 0.521 -7.002 -5.077 1.00 0.00 O ATOM 1519 CB LEU A 96 1.331 -5.061 -2.771 1.00 0.00 C ATOM 1520 CG LEU A 96 2.169 -5.270 -1.508 1.00 0.00 C ATOM 1521 CD1 LEU A 96 3.579 -4.735 -1.708 1.00 0.00 C ATOM 1522 CD2 LEU A 96 1.507 -4.602 -0.311 1.00 0.00 C ATOM 0 H LEU A 96 2.307 -3.349 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 96 2.725 -6.215 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.016 -4.018 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.427 -5.664 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 96 2.233 -6.340 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.160 -4.892 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.053 -5.260 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.535 -3.669 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.117 -4.761 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.411 -3.533 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.518 -5.033 -0.154 1.00 0.00 H new ATOM 1534 N GLY A 97 0.614 -4.965 -6.026 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.366 -5.297 -7.043 1.00 0.00 C ATOM 1536 C GLY A 97 -1.752 -4.793 -6.700 1.00 0.00 C ATOM 1537 O GLY A 97 -2.712 -5.566 -6.664 1.00 0.00 O ATOM 0 H GLY A 97 0.980 -4.014 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.054 -4.871 -7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.398 -6.379 -7.172 1.00 0.00 H new ATOM 1541 N LEU A 98 -1.861 -3.494 -6.443 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.141 -2.886 -6.099 1.00 0.00 C ATOM 1543 C LEU A 98 -3.666 -3.435 -4.778 1.00 0.00 C ATOM 1544 O LEU A 98 -4.782 -3.950 -4.707 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.164 -3.138 -7.210 1.00 0.00 C ATOM 1546 CG LEU A 98 -3.658 -2.952 -8.641 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -3.496 -4.299 -9.329 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -4.604 -2.059 -9.430 1.00 0.00 C ATOM 0 H LEU A 98 -1.077 -2.841 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.987 -1.812 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.539 -4.156 -7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.011 -2.470 -7.055 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.682 -2.468 -8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.135 -4.147 -10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.779 -4.906 -8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.458 -4.811 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.228 -1.938 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.593 -2.515 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.669 -1.083 -8.949 1.00 0.00 H new ATOM 1560 N GLN A 99 -2.856 -3.320 -3.731 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.241 -3.803 -2.410 1.00 0.00 C ATOM 1562 C GLN A 99 -3.839 -2.680 -1.571 1.00 0.00 C ATOM 1563 O GLN A 99 -3.157 -1.711 -1.235 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.031 -4.403 -1.691 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.401 -5.341 -0.554 1.00 0.00 C ATOM 1566 CD GLN A 99 -2.206 -6.801 -0.915 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -3.056 -7.411 -1.564 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -1.081 -7.369 -0.495 1.00 0.00 N ATOM 0 H GLN A 99 -1.929 -2.897 -3.772 1.00 0.00 H new ATOM 0 HA GLN A 99 -3.998 -4.576 -2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.422 -4.945 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.415 -3.594 -1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.795 -5.103 0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.442 -5.175 -0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.404 -6.825 0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.894 -8.349 -0.708 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.118 -2.815 -1.236 1.00 0.00 N ATOM 1578 CA LYS A 100 -5.809 -1.810 -0.435 1.00 0.00 C ATOM 1579 C LYS A 100 -6.915 -2.449 0.399 1.00 0.00 C ATOM 1580 O LYS A 100 -7.824 -1.765 0.872 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.400 -0.726 -1.339 1.00 0.00 C ATOM 1582 CG LYS A 100 -7.519 -1.224 -2.237 1.00 0.00 C ATOM 1583 CD LYS A 100 -8.795 -0.428 -2.030 1.00 0.00 C ATOM 1584 CE LYS A 100 -10.005 -1.159 -2.594 1.00 0.00 C ATOM 1585 NZ LYS A 100 -11.198 -0.272 -2.680 1.00 0.00 N ATOM 0 H LYS A 100 -5.697 -3.610 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.083 -1.356 0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.778 0.086 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.606 -0.310 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.209 -1.152 -3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.709 -2.278 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.942 -0.245 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.700 0.546 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.767 -1.545 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.236 -2.018 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.001 -0.807 -3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.441 0.076 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.986 0.535 -3.301 1.00 0.00 H new ATOM 1599 N LYS A 101 -6.833 -3.762 0.578 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.824 -4.494 1.358 1.00 0.00 C ATOM 1601 C LYS A 101 -7.970 -3.893 2.754 1.00 0.00 C ATOM 1602 O LYS A 101 -9.021 -4.007 3.382 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.433 -5.969 1.464 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.170 -6.867 0.485 1.00 0.00 C ATOM 1605 CD LYS A 101 -8.913 -7.982 1.201 1.00 0.00 C ATOM 1606 CE LYS A 101 -10.283 -7.523 1.676 1.00 0.00 C ATOM 1607 NZ LYS A 101 -11.343 -7.811 0.671 1.00 0.00 N ATOM 0 H LYS A 101 -6.089 -4.343 0.193 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.783 -4.416 0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.360 -6.065 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.628 -6.316 2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.876 -6.272 -0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.460 -7.297 -0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.026 -8.834 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.326 -8.323 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.528 -8.020 2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.257 -6.453 1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.262 -7.483 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.123 -7.316 -0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.385 -8.835 0.495 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.907 -3.251 3.230 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.917 -2.632 4.550 1.00 0.00 C ATOM 1623 C ASN A 102 -5.630 -1.850 4.795 1.00 0.00 C ATOM 1624 O ASN A 102 -4.556 -2.247 4.342 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.094 -3.697 5.635 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.617 -3.116 6.935 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -7.028 -2.191 7.495 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.725 -3.661 7.421 1.00 0.00 N ATOM 0 H ASN A 102 -6.029 -3.146 2.721 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.756 -1.938 4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.783 -4.463 5.279 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.138 -4.188 5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.123 -3.315 8.294 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.178 -4.426 6.922 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.746 -0.738 5.511 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.591 0.097 5.819 1.00 0.00 C ATOM 1637 C ILE A 103 -4.663 0.632 7.245 1.00 0.00 C ATOM 1638 O ILE A 103 -5.622 1.304 7.621 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.481 1.283 4.842 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -3.233 2.110 5.150 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -5.730 2.150 4.920 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -3.062 3.308 4.243 1.00 0.00 C ATOM 0 H ILE A 103 -6.628 -0.393 5.889 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.708 -0.533 5.716 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.395 0.893 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.280 2.451 6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.354 1.471 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.638 2.984 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.604 1.554 4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.844 2.534 5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.156 3.848 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.983 2.973 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.923 3.968 4.346 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.638 0.328 8.036 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.581 0.780 9.419 1.00 0.00 C ATOM 1656 C LYS A 104 -2.690 2.011 9.554 1.00 0.00 C ATOM 1657 O LYS A 104 -1.465 1.916 9.462 1.00 0.00 O ATOM 1658 CB LYS A 104 -3.060 -0.341 10.323 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.035 0.027 11.797 1.00 0.00 C ATOM 1660 CD LYS A 104 -4.303 -0.422 12.503 1.00 0.00 C ATOM 1661 CE LYS A 104 -5.224 0.752 12.795 1.00 0.00 C ATOM 1662 NZ LYS A 104 -6.559 0.304 13.278 1.00 0.00 N ATOM 0 H LYS A 104 -2.836 -0.230 7.741 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.591 1.049 9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.684 -1.224 10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.052 -0.612 10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.169 -0.433 12.274 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.921 1.106 11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.826 -1.151 11.884 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.043 -0.923 13.436 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.764 1.396 13.544 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.347 1.350 11.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.157 1.134 13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.009 -0.290 12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.445 -0.245 14.154 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.312 3.165 9.773 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.574 4.414 9.924 1.00 0.00 C ATOM 1678 C ILE A 105 -2.587 4.889 11.372 1.00 0.00 C ATOM 1679 O ILE A 105 -3.619 4.845 12.043 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.156 5.521 9.026 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.414 4.984 7.617 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.213 6.715 8.979 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -4.871 4.684 7.344 1.00 0.00 C ATOM 0 H ILE A 105 -4.325 3.261 9.850 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.546 4.213 9.621 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.106 5.848 9.449 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.058 5.712 6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.830 4.075 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.638 7.489 8.340 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.075 7.110 9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.249 6.402 8.577 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.981 4.307 6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.226 3.933 8.050 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.458 5.595 7.458 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.433 5.345 11.850 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.311 5.832 13.220 1.00 0.00 C ATOM 1697 C HIS A 106 -1.570 7.334 13.286 1.00 0.00 C ATOM 1698 O HIS A 106 -0.696 8.140 12.972 1.00 0.00 O ATOM 1699 CB HIS A 106 0.078 5.517 13.773 1.00 0.00 C ATOM 1700 CG HIS A 106 0.083 5.206 15.238 1.00 0.00 C ATOM 1701 ND1 HIS A 106 -0.890 4.442 15.848 1.00 0.00 N ATOM 1702 CD2 HIS A 106 0.950 5.560 16.216 1.00 0.00 C ATOM 1703 CE1 HIS A 106 -0.621 4.339 17.137 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.491 5.008 17.387 1.00 0.00 N ATOM 0 H HIS A 106 -0.569 5.387 11.309 1.00 0.00 H new ATOM 0 HA HIS A 106 -2.059 5.325 13.829 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.493 4.669 13.228 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.735 6.367 13.588 1.00 0.00 H new ATOM 0 HD2 HIS A 106 1.837 6.164 16.097 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -1.210 3.799 17.864 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.936 5.099 18.300 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.780 7.703 13.699 1.00 0.00 N ATOM 1713 CA GLY A 107 -3.132 9.107 13.801 1.00 0.00 C ATOM 1714 C GLY A 107 -3.009 9.637 15.216 1.00 0.00 C ATOM 1715 O GLY A 107 -3.936 9.510 16.017 1.00 0.00 O ATOM 0 H GLY A 107 -3.521 7.055 13.964 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.487 9.688 13.142 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.155 9.248 13.452 1.00 0.00 H new ATOM 1719 N PHE A 108 -1.861 10.229 15.526 1.00 0.00 N ATOM 1720 CA PHE A 108 -1.619 10.777 16.856 1.00 0.00 C ATOM 1721 C PHE A 108 -1.670 9.678 17.914 1.00 0.00 C ATOM 1722 O PHE A 108 -1.059 8.622 17.755 1.00 0.00 O ATOM 1723 CB PHE A 108 -2.648 11.860 17.180 1.00 0.00 C ATOM 1724 CG PHE A 108 -2.061 13.240 17.273 1.00 0.00 C ATOM 1725 CD1 PHE A 108 -1.058 13.517 18.188 1.00 0.00 C ATOM 1726 CD2 PHE A 108 -2.508 14.255 16.446 1.00 0.00 C ATOM 1727 CE1 PHE A 108 -0.515 14.786 18.276 1.00 0.00 C ATOM 1728 CE2 PHE A 108 -1.969 15.526 16.528 1.00 0.00 C ATOM 1729 CZ PHE A 108 -0.970 15.790 17.445 1.00 0.00 C ATOM 0 H PHE A 108 -1.084 10.342 14.875 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.623 11.219 16.864 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.422 11.855 16.413 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.134 11.617 18.125 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.697 12.734 18.839 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.288 14.052 15.727 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.265 14.991 18.995 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -2.328 16.310 15.877 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.545 16.781 17.512 1.00 0.00 H new