USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=13 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 25 TYR OH : rot 180:sc= 0.0309 USER MOD Set 1.2: A 101 LYS NZ :NH3+ 147:sc= 0.0147 (180deg=0) USER MOD Set 2.1: A 79 GLN : amide:sc= 0.149 K(o=0.23,f=-0.65) USER MOD Set 2.2: A 81 GLN : amide:sc= 0.0837 K(o=0.23,f=-0.65) USER MOD Set 3.1: A 64 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 84 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 24 ASN : amide:sc= -0.095 X(o=-0.095,f=-0.17) USER MOD Single : A 27 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-4.4!) USER MOD Single : A 38 THR OG1 : rot -26:sc= 0.0391 USER MOD Single : A 40 THR OG1 : rot 170:sc=-0.00405 USER MOD Single : A 41 THR OG1 : rot 7:sc= -0.662 USER MOD Single : A 43 GLN : amide:sc= -0.912 K(o=-0.91,f=-1.5) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.493 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 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.039) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) 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 137:sc= -3.74! (180deg=-5.35!) USER MOD Single : A 94 SER OG : rot -23:sc= -0.538 USER MOD Single : A 95 GLN : amide:sc= 0.117 K(o=0.12,f=-1.9) USER MOD Single : A 99 GLN : amide:sc= -1.81 K(o=-1.8,f=-2.4) USER MOD Single : A 100 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0286) USER MOD Single : A 102 ASN : amide:sc= -1.86 K(o=-1.9,f=-6!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= -0.467 K(o=-0.47,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 325 N ASN A 24 -5.120 -5.757 8.789 1.00 0.00 N ATOM 326 CA ASN A 24 -4.339 -4.697 8.163 1.00 0.00 C ATOM 327 C ASN A 24 -3.434 -5.260 7.072 1.00 0.00 C ATOM 328 O ASN A 24 -2.698 -6.221 7.296 1.00 0.00 O ATOM 329 CB ASN A 24 -3.497 -3.968 9.212 1.00 0.00 C ATOM 330 CG ASN A 24 -2.471 -4.874 9.862 1.00 0.00 C ATOM 331 OD1 ASN A 24 -2.806 -5.705 10.706 1.00 0.00 O ATOM 332 ND2 ASN A 24 -1.212 -4.718 9.472 1.00 0.00 N ATOM 0 HA ASN A 24 -5.032 -3.990 7.707 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.988 -3.125 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.153 -3.558 9.979 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.477 -5.300 9.875 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.979 -4.016 8.769 1.00 0.00 H new ATOM 339 N TYR A 25 -3.494 -4.654 5.890 1.00 0.00 N ATOM 340 CA TYR A 25 -2.683 -5.097 4.763 1.00 0.00 C ATOM 341 C TYR A 25 -1.450 -4.213 4.598 1.00 0.00 C ATOM 342 O TYR A 25 -0.451 -4.624 4.008 1.00 0.00 O ATOM 343 CB TYR A 25 -3.508 -5.083 3.476 1.00 0.00 C ATOM 344 CG TYR A 25 -3.852 -6.463 2.962 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.007 -7.113 3.379 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.022 -7.115 2.057 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.324 -8.374 2.912 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.334 -8.376 1.585 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.485 -9.001 2.016 1.00 0.00 C ATOM 350 OH TYR A 25 -4.798 -10.257 1.548 1.00 0.00 O ATOM 0 H TYR A 25 -4.096 -3.855 5.689 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.354 -6.116 4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.430 -4.530 3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.955 -4.545 2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.668 -6.624 4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.119 -6.629 1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.225 -8.866 3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.679 -8.869 0.882 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.104 -10.556 0.924 1.00 0.00 H new ATOM 360 N ILE A 26 -1.528 -2.996 5.127 1.00 0.00 N ATOM 361 CA ILE A 26 -0.420 -2.054 5.041 1.00 0.00 C ATOM 362 C ILE A 26 -0.413 -1.105 6.236 1.00 0.00 C ATOM 363 O ILE A 26 -1.390 -0.400 6.489 1.00 0.00 O ATOM 364 CB ILE A 26 -0.482 -1.228 3.744 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.913 -0.756 3.482 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.035 -2.045 2.570 1.00 0.00 C ATOM 367 CD1 ILE A 26 -2.002 0.392 2.500 1.00 0.00 C ATOM 0 H ILE A 26 -2.347 -2.640 5.619 1.00 0.00 H new ATOM 0 HA ILE A 26 0.497 -2.644 5.042 1.00 0.00 H new ATOM 0 HB ILE A 26 0.155 -0.351 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.499 -1.593 3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.365 -0.452 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.015 -1.447 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.069 -2.336 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.577 -2.939 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.046 0.674 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.444 1.245 2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.580 0.085 1.543 1.00 0.00 H new ATOM 379 N HIS A 27 0.698 -1.090 6.966 1.00 0.00 N ATOM 380 CA HIS A 27 0.835 -0.226 8.132 1.00 0.00 C ATOM 381 C HIS A 27 1.590 1.052 7.776 1.00 0.00 C ATOM 382 O HIS A 27 2.634 1.006 7.125 1.00 0.00 O ATOM 383 CB HIS A 27 1.561 -0.963 9.258 1.00 0.00 C ATOM 384 CG HIS A 27 1.773 -0.128 10.483 1.00 0.00 C ATOM 385 ND1 HIS A 27 1.064 -0.312 11.651 1.00 0.00 N ATOM 386 CD2 HIS A 27 2.621 0.900 10.717 1.00 0.00 C ATOM 387 CE1 HIS A 27 1.466 0.568 12.551 1.00 0.00 C ATOM 388 NE2 HIS A 27 2.411 1.315 12.009 1.00 0.00 N ATOM 0 H HIS A 27 1.516 -1.667 6.770 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.165 0.045 8.471 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.989 -1.850 9.528 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.528 -1.307 8.891 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.342 -1.017 11.798 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.331 1.317 10.018 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.087 0.661 13.558 1.00 0.00 H new ATOM 396 N ILE A 28 1.055 2.189 8.207 1.00 0.00 N ATOM 397 CA ILE A 28 1.679 3.478 7.934 1.00 0.00 C ATOM 398 C ILE A 28 1.752 4.331 9.196 1.00 0.00 C ATOM 399 O ILE A 28 0.741 4.853 9.664 1.00 0.00 O ATOM 400 CB ILE A 28 0.912 4.253 6.846 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.215 3.283 5.891 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.858 5.168 6.082 1.00 0.00 C ATOM 403 CD1 ILE A 28 1.172 2.432 5.090 1.00 0.00 C ATOM 0 H ILE A 28 0.191 2.244 8.747 1.00 0.00 H new ATOM 0 HA ILE A 28 2.689 3.273 7.579 1.00 0.00 H new ATOM 0 HB ILE A 28 0.151 4.867 7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.444 2.632 6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.415 3.850 5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.302 5.709 5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.312 5.880 6.772 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.639 4.572 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.608 1.768 4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.815 3.075 4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.785 1.838 5.768 1.00 0.00 H new ATOM 415 N ARG A 29 2.956 4.472 9.739 1.00 0.00 N ATOM 416 CA ARG A 29 3.162 5.263 10.946 1.00 0.00 C ATOM 417 C ARG A 29 3.946 6.535 10.635 1.00 0.00 C ATOM 418 O ARG A 29 5.155 6.491 10.406 1.00 0.00 O ATOM 419 CB ARG A 29 3.904 4.440 12.000 1.00 0.00 C ATOM 420 CG ARG A 29 3.090 4.185 13.258 1.00 0.00 C ATOM 421 CD ARG A 29 3.888 3.403 14.290 1.00 0.00 C ATOM 422 NE ARG A 29 3.067 2.409 14.977 1.00 0.00 N ATOM 423 CZ ARG A 29 3.399 1.859 16.140 1.00 0.00 C ATOM 424 NH1 ARG A 29 4.529 2.206 16.743 1.00 0.00 N ATOM 425 NH2 ARG A 29 2.601 0.961 16.703 1.00 0.00 N ATOM 0 H ARG A 29 3.804 4.049 9.362 1.00 0.00 H new ATOM 0 HA ARG A 29 2.184 5.545 11.337 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.193 3.484 11.564 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.824 4.958 12.271 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.773 5.136 13.686 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.186 3.633 13.002 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.725 2.906 13.800 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.310 4.093 15.021 1.00 0.00 H new ATOM 0 HE ARG A 29 2.191 2.122 14.540 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.145 2.896 16.314 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.782 1.782 17.636 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.731 0.692 16.243 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.857 0.540 17.596 1.00 0.00 H new ATOM 439 N ILE A 30 3.249 7.666 10.629 1.00 0.00 N ATOM 440 CA ILE A 30 3.879 8.949 10.346 1.00 0.00 C ATOM 441 C ILE A 30 4.481 9.555 11.609 1.00 0.00 C ATOM 442 O ILE A 30 3.929 9.415 12.701 1.00 0.00 O ATOM 443 CB ILE A 30 2.876 9.948 9.739 1.00 0.00 C ATOM 444 CG1 ILE A 30 2.169 9.326 8.533 1.00 0.00 C ATOM 445 CG2 ILE A 30 3.584 11.233 9.339 1.00 0.00 C ATOM 446 CD1 ILE A 30 0.680 9.146 8.731 1.00 0.00 C ATOM 0 H ILE A 30 2.248 7.720 10.817 1.00 0.00 H new ATOM 0 HA ILE A 30 4.672 8.758 9.623 1.00 0.00 H new ATOM 0 HB ILE A 30 2.126 10.189 10.492 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.338 9.955 7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.619 8.356 8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.862 11.929 8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.045 11.683 10.218 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.353 11.010 8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.245 8.700 7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.503 8.492 9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.218 10.116 8.915 1.00 0.00 H new ATOM 583 N THR A 38 10.738 15.504 7.367 1.00 0.00 N ATOM 584 CA THR A 38 9.581 14.623 7.468 1.00 0.00 C ATOM 585 C THR A 38 9.998 13.158 7.408 1.00 0.00 C ATOM 586 O THR A 38 10.859 12.779 6.614 1.00 0.00 O ATOM 587 CB THR A 38 8.563 14.902 6.347 1.00 0.00 C ATOM 588 OG1 THR A 38 9.172 14.687 5.068 1.00 0.00 O ATOM 589 CG2 THR A 38 8.041 16.328 6.431 1.00 0.00 C ATOM 0 HA THR A 38 9.113 14.825 8.432 1.00 0.00 H new ATOM 0 HB THR A 38 7.724 14.217 6.471 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.139 14.829 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.324 16.501 5.629 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.553 16.481 7.393 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.872 17.026 6.331 1.00 0.00 H new ATOM 597 N LEU A 39 9.382 12.337 8.252 1.00 0.00 N ATOM 598 CA LEU A 39 9.689 10.911 8.294 1.00 0.00 C ATOM 599 C LEU A 39 8.409 10.081 8.348 1.00 0.00 C ATOM 600 O LEU A 39 7.386 10.530 8.864 1.00 0.00 O ATOM 601 CB LEU A 39 10.568 10.594 9.504 1.00 0.00 C ATOM 602 CG LEU A 39 11.947 11.254 9.522 1.00 0.00 C ATOM 603 CD1 LEU A 39 11.884 12.607 10.212 1.00 0.00 C ATOM 604 CD2 LEU A 39 12.961 10.350 10.209 1.00 0.00 C ATOM 0 H LEU A 39 8.667 12.634 8.916 1.00 0.00 H new ATOM 0 HA LEU A 39 10.230 10.653 7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.033 10.892 10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.703 9.514 9.557 1.00 0.00 H new ATOM 0 HG LEU A 39 12.267 11.410 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.875 13.061 10.215 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.189 13.256 9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.542 12.476 11.239 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.937 10.835 10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.645 10.162 11.235 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.028 9.404 9.671 1.00 0.00 H new ATOM 616 N THR A 40 8.477 8.865 7.813 1.00 0.00 N ATOM 617 CA THR A 40 7.326 7.971 7.802 1.00 0.00 C ATOM 618 C THR A 40 7.764 6.511 7.765 1.00 0.00 C ATOM 619 O THR A 40 8.675 6.145 7.023 1.00 0.00 O ATOM 620 CB THR A 40 6.410 8.252 6.596 1.00 0.00 C ATOM 621 OG1 THR A 40 6.937 9.334 5.821 1.00 0.00 O ATOM 622 CG2 THR A 40 4.999 8.589 7.056 1.00 0.00 C ATOM 0 H THR A 40 9.317 8.478 7.382 1.00 0.00 H new ATOM 0 HA THR A 40 6.771 8.157 8.722 1.00 0.00 H new ATOM 0 HB THR A 40 6.370 7.353 5.981 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.444 9.402 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.370 8.784 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.590 7.750 7.620 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.025 9.475 7.691 1.00 0.00 H new ATOM 630 N THR A 41 7.109 5.681 8.571 1.00 0.00 N ATOM 631 CA THR A 41 7.431 4.261 8.630 1.00 0.00 C ATOM 632 C THR A 41 6.355 3.425 7.949 1.00 0.00 C ATOM 633 O THR A 41 5.178 3.786 7.950 1.00 0.00 O ATOM 634 CB THR A 41 7.594 3.782 10.085 1.00 0.00 C ATOM 635 OG1 THR A 41 6.598 4.392 10.915 1.00 0.00 O ATOM 636 CG2 THR A 41 8.979 4.121 10.615 1.00 0.00 C ATOM 0 H THR A 41 6.352 5.968 9.192 1.00 0.00 H new ATOM 0 HA THR A 41 8.377 4.129 8.104 1.00 0.00 H new ATOM 0 HB THR A 41 7.470 2.699 10.104 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.963 4.885 10.355 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.070 3.773 11.644 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.734 3.633 9.999 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.127 5.200 10.583 1.00 0.00 H new ATOM 644 N VAL A 42 6.765 2.302 7.366 1.00 0.00 N ATOM 645 CA VAL A 42 5.835 1.411 6.682 1.00 0.00 C ATOM 646 C VAL A 42 6.154 -0.050 6.978 1.00 0.00 C ATOM 647 O VAL A 42 7.315 -0.418 7.152 1.00 0.00 O ATOM 648 CB VAL A 42 5.863 1.633 5.158 1.00 0.00 C ATOM 649 CG1 VAL A 42 4.759 0.835 4.482 1.00 0.00 C ATOM 650 CG2 VAL A 42 5.736 3.113 4.834 1.00 0.00 C ATOM 0 H VAL A 42 7.735 1.988 7.354 1.00 0.00 H new ATOM 0 HA VAL A 42 4.839 1.645 7.058 1.00 0.00 H new ATOM 0 HB VAL A 42 6.820 1.281 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.794 1.004 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.899 -0.226 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.791 1.154 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.758 3.252 3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.794 3.493 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.565 3.657 5.286 1.00 0.00 H new ATOM 660 N GLN A 43 5.116 -0.878 7.034 1.00 0.00 N ATOM 661 CA GLN A 43 5.287 -2.299 7.309 1.00 0.00 C ATOM 662 C GLN A 43 4.283 -3.131 6.516 1.00 0.00 C ATOM 663 O GLN A 43 3.304 -2.605 5.990 1.00 0.00 O ATOM 664 CB GLN A 43 5.124 -2.574 8.806 1.00 0.00 C ATOM 665 CG GLN A 43 5.680 -3.919 9.242 1.00 0.00 C ATOM 666 CD GLN A 43 4.603 -4.975 9.394 1.00 0.00 C ATOM 667 OE1 GLN A 43 3.534 -4.712 9.947 1.00 0.00 O ATOM 668 NE2 GLN A 43 4.879 -6.178 8.902 1.00 0.00 N ATOM 0 H GLN A 43 4.148 -0.589 6.893 1.00 0.00 H new ATOM 0 HA GLN A 43 6.293 -2.584 7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.623 -1.785 9.368 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.066 -2.528 9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.415 -4.258 8.512 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.204 -3.801 10.190 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.778 -6.351 8.452 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.192 -6.929 8.974 1.00 0.00 H new ATOM 677 N GLY A 44 4.536 -4.434 6.436 1.00 0.00 N ATOM 678 CA GLY A 44 3.647 -5.318 5.705 1.00 0.00 C ATOM 679 C GLY A 44 4.219 -5.735 4.364 1.00 0.00 C ATOM 680 O GLY A 44 3.524 -6.336 3.544 1.00 0.00 O ATOM 0 H GLY A 44 5.340 -4.893 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.449 -6.207 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.690 -4.819 5.549 1.00 0.00 H new ATOM 684 N VAL A 45 5.490 -5.415 4.138 1.00 0.00 N ATOM 685 CA VAL A 45 6.154 -5.761 2.887 1.00 0.00 C ATOM 686 C VAL A 45 6.258 -7.272 2.719 1.00 0.00 C ATOM 687 O VAL A 45 6.642 -7.999 3.636 1.00 0.00 O ATOM 688 CB VAL A 45 7.566 -5.149 2.815 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.231 -5.497 1.491 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.505 -3.642 3.009 1.00 0.00 C ATOM 0 H VAL A 45 6.080 -4.917 4.805 1.00 0.00 H new ATOM 0 HA VAL A 45 5.546 -5.351 2.081 1.00 0.00 H new ATOM 0 HB VAL A 45 8.167 -5.571 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.227 -5.057 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.310 -6.580 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.633 -5.104 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.512 -3.227 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.888 -3.199 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.072 -3.418 3.984 1.00 0.00 H new ATOM 700 N PRO A 46 5.908 -7.761 1.519 1.00 0.00 N ATOM 701 CA PRO A 46 5.953 -9.190 1.202 1.00 0.00 C ATOM 702 C PRO A 46 7.381 -9.717 1.109 1.00 0.00 C ATOM 703 O PRO A 46 8.341 -8.970 1.293 1.00 0.00 O ATOM 704 CB PRO A 46 5.262 -9.273 -0.162 1.00 0.00 C ATOM 705 CG PRO A 46 5.455 -7.924 -0.766 1.00 0.00 C ATOM 706 CD PRO A 46 5.440 -6.952 0.380 1.00 0.00 C ATOM 0 HA PRO A 46 5.476 -9.794 1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.704 -10.052 -0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.204 -9.512 -0.056 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.398 -7.871 -1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.662 -7.699 -1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.096 -6.102 0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.441 -6.552 0.555 1.00 0.00 H new ATOM 714 N GLU A 47 7.512 -11.009 0.820 1.00 0.00 N ATOM 715 CA GLU A 47 8.824 -11.635 0.704 1.00 0.00 C ATOM 716 C GLU A 47 9.478 -11.282 -0.630 1.00 0.00 C ATOM 717 O GLU A 47 10.702 -11.192 -0.726 1.00 0.00 O ATOM 718 CB GLU A 47 8.702 -13.154 0.837 1.00 0.00 C ATOM 719 CG GLU A 47 9.926 -13.811 1.454 1.00 0.00 C ATOM 720 CD GLU A 47 10.634 -14.745 0.492 1.00 0.00 C ATOM 721 OE1 GLU A 47 9.948 -15.562 -0.155 1.00 0.00 O ATOM 722 OE2 GLU A 47 11.874 -14.657 0.388 1.00 0.00 O ATOM 0 H GLU A 47 6.727 -11.641 0.662 1.00 0.00 H new ATOM 0 HA GLU A 47 9.452 -11.256 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.829 -13.388 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.528 -13.584 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.621 -13.039 1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.626 -14.368 2.341 1.00 0.00 H new ATOM 729 N GLU A 48 8.654 -11.083 -1.653 1.00 0.00 N ATOM 730 CA GLU A 48 9.152 -10.742 -2.980 1.00 0.00 C ATOM 731 C GLU A 48 9.940 -9.436 -2.946 1.00 0.00 C ATOM 732 O GLU A 48 10.713 -9.140 -3.859 1.00 0.00 O ATOM 733 CB GLU A 48 7.992 -10.625 -3.970 1.00 0.00 C ATOM 734 CG GLU A 48 8.016 -11.679 -5.064 1.00 0.00 C ATOM 735 CD GLU A 48 6.696 -11.781 -5.805 1.00 0.00 C ATOM 736 OE1 GLU A 48 5.904 -10.817 -5.742 1.00 0.00 O ATOM 737 OE2 GLU A 48 6.457 -12.825 -6.448 1.00 0.00 O ATOM 0 H GLU A 48 7.638 -11.152 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 48 9.819 -11.540 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.051 -10.701 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.016 -9.637 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.809 -11.443 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.258 -12.647 -4.625 1.00 0.00 H new ATOM 744 N TYR A 49 9.741 -8.660 -1.887 1.00 0.00 N ATOM 745 CA TYR A 49 10.429 -7.384 -1.733 1.00 0.00 C ATOM 746 C TYR A 49 11.127 -7.300 -0.379 1.00 0.00 C ATOM 747 O TYR A 49 10.484 -7.099 0.651 1.00 0.00 O ATOM 748 CB TYR A 49 9.443 -6.226 -1.884 1.00 0.00 C ATOM 749 CG TYR A 49 9.996 -5.053 -2.663 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.536 -5.230 -3.930 1.00 0.00 C ATOM 751 CD2 TYR A 49 9.984 -3.772 -2.129 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.045 -4.163 -4.645 1.00 0.00 C ATOM 753 CE2 TYR A 49 10.488 -2.697 -2.836 1.00 0.00 C ATOM 754 CZ TYR A 49 11.017 -2.898 -4.094 1.00 0.00 C ATOM 755 OH TYR A 49 11.523 -1.831 -4.802 1.00 0.00 O ATOM 0 H TYR A 49 9.108 -8.892 -1.122 1.00 0.00 H new ATOM 0 HA TYR A 49 11.184 -7.312 -2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.543 -6.589 -2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.144 -5.884 -0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.558 -6.219 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.573 -3.612 -1.143 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.462 -4.318 -5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.468 -1.706 -2.407 1.00 0.00 H new ATOM 0 HH TYR A 49 11.221 -0.994 -4.392 1.00 0.00 H new ATOM 765 N ASP A 50 12.446 -7.455 -0.390 1.00 0.00 N ATOM 766 CA ASP A 50 13.233 -7.397 0.835 1.00 0.00 C ATOM 767 C ASP A 50 13.598 -5.955 1.179 1.00 0.00 C ATOM 768 O ASP A 50 13.250 -5.025 0.450 1.00 0.00 O ATOM 769 CB ASP A 50 14.503 -8.238 0.694 1.00 0.00 C ATOM 770 CG ASP A 50 14.490 -9.461 1.590 1.00 0.00 C ATOM 771 OD1 ASP A 50 13.644 -10.352 1.367 1.00 0.00 O ATOM 772 OD2 ASP A 50 15.328 -9.526 2.515 1.00 0.00 O ATOM 0 H ASP A 50 12.993 -7.622 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 50 12.627 -7.803 1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.614 -8.553 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.371 -7.624 0.935 1.00 0.00 H new ATOM 777 N LEU A 51 14.301 -5.778 2.291 1.00 0.00 N ATOM 778 CA LEU A 51 14.713 -4.449 2.732 1.00 0.00 C ATOM 779 C LEU A 51 15.799 -3.886 1.821 1.00 0.00 C ATOM 780 O LEU A 51 15.958 -2.671 1.704 1.00 0.00 O ATOM 781 CB LEU A 51 15.220 -4.502 4.175 1.00 0.00 C ATOM 782 CG LEU A 51 14.189 -4.190 5.260 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.625 -2.789 5.073 1.00 0.00 C ATOM 784 CD2 LEU A 51 13.070 -5.222 5.246 1.00 0.00 C ATOM 0 H LEU A 51 14.598 -6.537 2.904 1.00 0.00 H new ATOM 0 HA LEU A 51 13.845 -3.792 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.624 -5.497 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.047 -3.799 4.275 1.00 0.00 H new ATOM 0 HG LEU A 51 14.686 -4.234 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.893 -2.584 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.433 -2.060 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.144 -2.718 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.346 -4.984 6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.576 -5.210 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.486 -6.213 5.428 1.00 0.00 H new ATOM 796 N LYS A 52 16.543 -4.777 1.173 1.00 0.00 N ATOM 797 CA LYS A 52 17.612 -4.369 0.270 1.00 0.00 C ATOM 798 C LYS A 52 17.049 -3.956 -1.086 1.00 0.00 C ATOM 799 O LYS A 52 17.579 -3.058 -1.740 1.00 0.00 O ATOM 800 CB LYS A 52 18.616 -5.510 0.089 1.00 0.00 C ATOM 801 CG LYS A 52 19.941 -5.065 -0.503 1.00 0.00 C ATOM 802 CD LYS A 52 21.089 -5.280 0.471 1.00 0.00 C ATOM 803 CE LYS A 52 21.368 -6.761 0.684 1.00 0.00 C ATOM 804 NZ LYS A 52 22.790 -7.011 1.042 1.00 0.00 N ATOM 0 H LYS A 52 16.425 -5.787 1.257 1.00 0.00 H new ATOM 0 HA LYS A 52 18.120 -3.511 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.799 -5.979 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.176 -6.271 -0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 52 20.134 -5.619 -1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.884 -4.010 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.986 -4.790 0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.850 -4.812 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.722 -7.142 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.120 -7.312 -0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.939 -8.031 1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.406 -6.670 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.020 -6.506 1.922 1.00 0.00 H new ATOM 818 N ARG A 53 15.970 -4.614 -1.501 1.00 0.00 N ATOM 819 CA ARG A 53 15.336 -4.313 -2.779 1.00 0.00 C ATOM 820 C ARG A 53 14.556 -3.004 -2.703 1.00 0.00 C ATOM 821 O ARG A 53 14.496 -2.249 -3.673 1.00 0.00 O ATOM 822 CB ARG A 53 14.404 -5.453 -3.189 1.00 0.00 C ATOM 823 CG ARG A 53 14.066 -5.459 -4.672 1.00 0.00 C ATOM 824 CD ARG A 53 15.179 -6.084 -5.496 1.00 0.00 C ATOM 825 NE ARG A 53 14.663 -6.843 -6.631 1.00 0.00 N ATOM 826 CZ ARG A 53 15.411 -7.237 -7.654 1.00 0.00 C ATOM 827 NH1 ARG A 53 16.705 -6.947 -7.684 1.00 0.00 N ATOM 828 NH2 ARG A 53 14.868 -7.924 -8.651 1.00 0.00 N ATOM 0 H ARG A 53 15.517 -5.358 -0.971 1.00 0.00 H new ATOM 0 HA ARG A 53 16.119 -4.205 -3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.869 -6.403 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.480 -5.381 -2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.140 -6.011 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.891 -4.438 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.845 -5.301 -5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.774 -6.741 -4.862 1.00 0.00 H new ATOM 0 HE ARG A 53 13.672 -7.084 -6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.127 -6.420 -6.920 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.278 -7.251 -8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.874 -8.150 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.445 -8.226 -9.436 1.00 0.00 H new ATOM 842 N ILE A 54 13.959 -2.744 -1.545 1.00 0.00 N ATOM 843 CA ILE A 54 13.183 -1.528 -1.343 1.00 0.00 C ATOM 844 C ILE A 54 14.091 -0.335 -1.062 1.00 0.00 C ATOM 845 O ILE A 54 13.789 0.795 -1.449 1.00 0.00 O ATOM 846 CB ILE A 54 12.184 -1.681 -0.180 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.305 -0.435 -0.065 1.00 0.00 C ATOM 848 CG2 ILE A 54 12.926 -1.937 1.123 1.00 0.00 C ATOM 849 CD1 ILE A 54 9.833 -0.747 0.092 1.00 0.00 C ATOM 0 H ILE A 54 13.998 -3.360 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 54 12.630 -1.353 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 54 11.540 -2.537 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.636 0.156 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.445 0.182 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.208 -2.043 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.512 -2.852 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.591 -1.100 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.270 0.183 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.486 -1.312 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.681 -1.338 0.995 1.00 0.00 H new ATOM 861 N LEU A 55 15.207 -0.595 -0.389 1.00 0.00 N ATOM 862 CA LEU A 55 16.162 0.456 -0.057 1.00 0.00 C ATOM 863 C LEU A 55 16.991 0.844 -1.278 1.00 0.00 C ATOM 864 O LEU A 55 17.428 1.987 -1.407 1.00 0.00 O ATOM 865 CB LEU A 55 17.083 -0.003 1.074 1.00 0.00 C ATOM 866 CG LEU A 55 18.369 0.802 1.262 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.046 2.264 1.536 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.203 0.218 2.392 1.00 0.00 C ATOM 0 H LEU A 55 15.472 -1.524 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 55 15.602 1.331 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.521 0.025 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.353 -1.044 0.896 1.00 0.00 H new ATOM 0 HG LEU A 55 18.950 0.744 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 55 18.973 2.823 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.489 2.677 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.445 2.340 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.115 0.804 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.630 0.245 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.463 -0.814 2.156 1.00 0.00 H new ATOM 880 N LYS A 56 17.202 -0.116 -2.173 1.00 0.00 N ATOM 881 CA LYS A 56 17.975 0.124 -3.385 1.00 0.00 C ATOM 882 C LYS A 56 17.127 0.831 -4.439 1.00 0.00 C ATOM 883 O LYS A 56 17.616 1.701 -5.160 1.00 0.00 O ATOM 884 CB LYS A 56 18.506 -1.198 -3.946 1.00 0.00 C ATOM 885 CG LYS A 56 19.563 -1.020 -5.022 1.00 0.00 C ATOM 886 CD LYS A 56 20.937 -0.781 -4.418 1.00 0.00 C ATOM 887 CE LYS A 56 21.714 -2.080 -4.268 1.00 0.00 C ATOM 888 NZ LYS A 56 22.837 -2.171 -5.242 1.00 0.00 N ATOM 0 H LYS A 56 16.848 -1.068 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 56 18.817 0.767 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 56 18.925 -1.787 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.674 -1.769 -4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.592 -1.907 -5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 56 19.294 -0.180 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.498 -0.091 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.829 -0.306 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.106 -2.153 -3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.040 -2.925 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.341 -3.070 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.461 -2.127 -6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.494 -1.379 -5.089 1.00 0.00 H new ATOM 902 N VAL A 57 15.857 0.453 -4.521 1.00 0.00 N ATOM 903 CA VAL A 57 14.941 1.053 -5.485 1.00 0.00 C ATOM 904 C VAL A 57 14.498 2.440 -5.032 1.00 0.00 C ATOM 905 O VAL A 57 14.367 3.357 -5.844 1.00 0.00 O ATOM 906 CB VAL A 57 13.695 0.173 -5.700 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.678 0.891 -6.572 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.087 -1.164 -6.311 1.00 0.00 C ATOM 0 H VAL A 57 15.437 -0.266 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 57 15.484 1.137 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 57 13.234 -0.018 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.805 0.254 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.375 1.820 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.124 1.115 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.195 -1.773 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.572 -0.996 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.775 -1.682 -5.643 1.00 0.00 H new ATOM 918 N LEU A 58 14.270 2.587 -3.732 1.00 0.00 N ATOM 919 CA LEU A 58 13.842 3.863 -3.170 1.00 0.00 C ATOM 920 C LEU A 58 14.975 4.885 -3.214 1.00 0.00 C ATOM 921 O LEU A 58 14.762 6.048 -3.559 1.00 0.00 O ATOM 922 CB LEU A 58 13.367 3.675 -1.728 1.00 0.00 C ATOM 923 CG LEU A 58 11.986 3.044 -1.553 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.713 2.751 -0.087 1.00 0.00 C ATOM 925 CD2 LEU A 58 10.908 3.954 -2.126 1.00 0.00 C ATOM 0 H LEU A 58 14.374 1.838 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 58 13.015 4.237 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.096 3.056 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.364 4.649 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 58 11.968 2.101 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.725 2.302 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.467 2.061 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.751 3.679 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.931 3.489 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.928 4.913 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.093 4.113 -3.188 1.00 0.00 H new ATOM 937 N LYS A 59 16.179 4.442 -2.867 1.00 0.00 N ATOM 938 CA LYS A 59 17.345 5.316 -2.871 1.00 0.00 C ATOM 939 C LYS A 59 17.743 5.686 -4.297 1.00 0.00 C ATOM 940 O LYS A 59 18.188 6.804 -4.558 1.00 0.00 O ATOM 941 CB LYS A 59 18.519 4.635 -2.163 1.00 0.00 C ATOM 942 CG LYS A 59 19.634 5.592 -1.778 1.00 0.00 C ATOM 943 CD LYS A 59 20.530 5.912 -2.962 1.00 0.00 C ATOM 944 CE LYS A 59 21.977 5.540 -2.683 1.00 0.00 C ATOM 945 NZ LYS A 59 22.704 5.160 -3.926 1.00 0.00 N ATOM 0 H LYS A 59 16.372 3.483 -2.580 1.00 0.00 H new ATOM 0 HA LYS A 59 17.086 6.230 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.152 4.138 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 59 18.925 3.860 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 59 19.204 6.514 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 59 20.230 5.154 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 59 20.178 5.373 -3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.465 6.975 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 59 22.483 6.381 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 59 22.009 4.711 -1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.687 4.914 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 22.237 4.341 -4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 22.697 5.960 -4.591 1.00 0.00 H new ATOM 959 N LYS A 60 17.579 4.742 -5.217 1.00 0.00 N ATOM 960 CA LYS A 60 17.918 4.968 -6.615 1.00 0.00 C ATOM 961 C LYS A 60 16.822 5.763 -7.319 1.00 0.00 C ATOM 962 O LYS A 60 17.086 6.490 -8.277 1.00 0.00 O ATOM 963 CB LYS A 60 18.135 3.634 -7.332 1.00 0.00 C ATOM 964 CG LYS A 60 19.461 2.973 -6.997 1.00 0.00 C ATOM 965 CD LYS A 60 20.458 3.112 -8.134 1.00 0.00 C ATOM 966 CE LYS A 60 21.864 2.735 -7.692 1.00 0.00 C ATOM 967 NZ LYS A 60 22.756 2.467 -8.853 1.00 0.00 N ATOM 0 H LYS A 60 17.212 3.811 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 60 18.842 5.546 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 60 17.324 2.955 -7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 60 18.081 3.797 -8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 60 19.874 3.422 -6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.298 1.917 -6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.154 2.476 -8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 60 20.454 4.139 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 60 22.284 3.541 -7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 60 21.820 1.851 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 23.705 2.213 -8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 22.369 1.681 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 22.818 3.319 -9.447 1.00 0.00 H new ATOM 981 N ASP A 61 15.592 5.620 -6.837 1.00 0.00 N ATOM 982 CA ASP A 61 14.457 6.326 -7.418 1.00 0.00 C ATOM 983 C ASP A 61 14.536 7.820 -7.121 1.00 0.00 C ATOM 984 O ASP A 61 14.723 8.635 -8.025 1.00 0.00 O ATOM 985 CB ASP A 61 13.143 5.756 -6.879 1.00 0.00 C ATOM 986 CG ASP A 61 11.932 6.511 -7.388 1.00 0.00 C ATOM 987 OD1 ASP A 61 11.845 6.737 -8.614 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.070 6.877 -6.562 1.00 0.00 O ATOM 0 H ASP A 61 15.356 5.021 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 61 14.489 6.186 -8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.061 4.708 -7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.156 5.789 -5.790 1.00 0.00 H new ATOM 993 N PHE A 62 14.392 8.174 -5.849 1.00 0.00 N ATOM 994 CA PHE A 62 14.446 9.571 -5.433 1.00 0.00 C ATOM 995 C PHE A 62 15.199 9.716 -4.113 1.00 0.00 C ATOM 996 O PHE A 62 14.855 10.553 -3.280 1.00 0.00 O ATOM 997 CB PHE A 62 13.031 10.137 -5.290 1.00 0.00 C ATOM 998 CG PHE A 62 12.371 10.437 -6.606 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.000 11.239 -7.543 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.120 9.919 -6.902 1.00 0.00 C ATOM 1001 CE1 PHE A 62 12.395 11.518 -8.754 1.00 0.00 C ATOM 1002 CE2 PHE A 62 10.510 10.194 -8.110 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.148 10.994 -9.039 1.00 0.00 C ATOM 0 H PHE A 62 14.237 7.513 -5.088 1.00 0.00 H new ATOM 0 HA PHE A 62 14.979 10.133 -6.200 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.417 9.425 -4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.071 11.050 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.974 11.651 -7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.617 9.293 -6.180 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.896 12.145 -9.477 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.535 9.784 -8.329 1.00 0.00 H new ATOM 0 HZ PHE A 62 10.674 11.209 -9.985 1.00 0.00 H new ATOM 1013 N ALA A 63 16.228 8.895 -3.933 1.00 0.00 N ATOM 1014 CA ALA A 63 17.032 8.933 -2.717 1.00 0.00 C ATOM 1015 C ALA A 63 16.151 8.866 -1.474 1.00 0.00 C ATOM 1016 O ALA A 63 16.185 9.760 -0.629 1.00 0.00 O ATOM 1017 CB ALA A 63 17.889 10.190 -2.690 1.00 0.00 C ATOM 0 H ALA A 63 16.525 8.195 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 63 17.685 8.060 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.484 10.205 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.552 10.197 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.246 11.070 -2.719 1.00 0.00 H new ATOM 1023 N CYS A 64 15.362 7.801 -1.372 1.00 0.00 N ATOM 1024 CA CYS A 64 14.470 7.618 -0.232 1.00 0.00 C ATOM 1025 C CYS A 64 15.042 6.597 0.747 1.00 0.00 C ATOM 1026 O CYS A 64 14.838 5.394 0.594 1.00 0.00 O ATOM 1027 CB CYS A 64 13.088 7.169 -0.707 1.00 0.00 C ATOM 1028 SG CYS A 64 11.856 8.491 -0.749 1.00 0.00 S ATOM 0 H CYS A 64 15.322 7.053 -2.064 1.00 0.00 H new ATOM 0 HA CYS A 64 14.376 8.574 0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.180 6.741 -1.705 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.731 6.375 -0.051 1.00 0.00 H new ATOM 0 HG CYS A 64 10.721 8.013 -1.166 1.00 0.00 H new ATOM 1034 N ASN A 65 15.760 7.087 1.752 1.00 0.00 N ATOM 1035 CA ASN A 65 16.362 6.216 2.756 1.00 0.00 C ATOM 1036 C ASN A 65 15.328 5.259 3.338 1.00 0.00 C ATOM 1037 O ASN A 65 14.473 5.659 4.129 1.00 0.00 O ATOM 1038 CB ASN A 65 16.990 7.051 3.875 1.00 0.00 C ATOM 1039 CG ASN A 65 18.491 7.200 3.713 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.262 6.817 4.594 1.00 0.00 O ATOM 1041 ND2 ASN A 65 18.912 7.759 2.583 1.00 0.00 N ATOM 0 H ASN A 65 15.939 8.081 1.893 1.00 0.00 H new ATOM 0 HA ASN A 65 17.140 5.628 2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.529 8.039 3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.776 6.585 4.837 1.00 0.00 H new ATOM 0 HD21 ASN A 65 19.911 7.886 2.418 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.237 8.061 1.881 1.00 0.00 H new ATOM 1048 N GLY A 66 15.412 3.992 2.942 1.00 0.00 N ATOM 1049 CA GLY A 66 14.477 2.998 3.437 1.00 0.00 C ATOM 1050 C GLY A 66 15.134 1.995 4.365 1.00 0.00 C ATOM 1051 O GLY A 66 15.402 0.861 3.973 1.00 0.00 O ATOM 0 H GLY A 66 16.110 3.637 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.665 3.498 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.032 2.470 2.593 1.00 0.00 H new ATOM 1055 N ASN A 67 15.394 2.417 5.599 1.00 0.00 N ATOM 1056 CA ASN A 67 16.027 1.547 6.585 1.00 0.00 C ATOM 1057 C ASN A 67 14.990 0.672 7.282 1.00 0.00 C ATOM 1058 O ASN A 67 13.789 0.812 7.051 1.00 0.00 O ATOM 1059 CB ASN A 67 16.784 2.382 7.618 1.00 0.00 C ATOM 1060 CG ASN A 67 17.447 3.600 7.005 1.00 0.00 C ATOM 1061 OD1 ASN A 67 18.482 3.492 6.346 1.00 0.00 O ATOM 1062 ND2 ASN A 67 16.853 4.769 7.220 1.00 0.00 N ATOM 0 H ASN A 67 15.177 3.354 5.939 1.00 0.00 H new ATOM 0 HA ASN A 67 16.732 0.899 6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.094 2.702 8.399 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.542 1.762 8.097 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.254 5.623 6.833 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.996 4.812 7.772 1.00 0.00 H new ATOM 1069 N ILE A 68 15.462 -0.228 8.136 1.00 0.00 N ATOM 1070 CA ILE A 68 14.577 -1.125 8.868 1.00 0.00 C ATOM 1071 C ILE A 68 14.755 -0.965 10.374 1.00 0.00 C ATOM 1072 O ILE A 68 15.831 -0.606 10.849 1.00 0.00 O ATOM 1073 CB ILE A 68 14.824 -2.597 8.486 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.640 -3.465 8.918 1.00 0.00 C ATOM 1075 CG2 ILE A 68 16.114 -3.098 9.121 1.00 0.00 C ATOM 1076 CD1 ILE A 68 13.804 -4.928 8.569 1.00 0.00 C ATOM 0 H ILE A 68 16.453 -0.356 8.339 1.00 0.00 H new ATOM 0 HA ILE A 68 13.557 -0.854 8.594 1.00 0.00 H new ATOM 0 HB ILE A 68 14.923 -2.665 7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.504 -3.370 9.995 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.732 -3.087 8.448 1.00 0.00 H new ATOM 0 HG21 ILE A 68 16.276 -4.139 8.843 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.951 -2.494 8.770 1.00 0.00 H new ATOM 0 HG23 ILE A 68 16.040 -3.020 10.206 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.928 -5.483 8.905 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.909 -5.035 7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.693 -5.322 9.061 1.00 0.00 H new ATOM 1088 N VAL A 69 13.689 -1.234 11.122 1.00 0.00 N ATOM 1089 CA VAL A 69 13.727 -1.122 12.575 1.00 0.00 C ATOM 1090 C VAL A 69 12.966 -2.267 13.235 1.00 0.00 C ATOM 1091 O VAL A 69 12.229 -3.000 12.574 1.00 0.00 O ATOM 1092 CB VAL A 69 13.131 0.217 13.052 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.752 0.637 14.374 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.329 1.292 11.994 1.00 0.00 C ATOM 0 H VAL A 69 12.789 -1.531 10.745 1.00 0.00 H new ATOM 0 HA VAL A 69 14.776 -1.169 12.868 1.00 0.00 H new ATOM 0 HB VAL A 69 12.060 0.085 13.208 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.319 1.584 14.695 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.555 -0.126 15.127 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.829 0.754 14.249 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.903 2.232 12.346 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.394 1.425 11.805 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.832 0.991 11.072 1.00 0.00 H new ATOM 1104 N LYS A 70 13.149 -2.416 14.542 1.00 0.00 N ATOM 1105 CA LYS A 70 12.480 -3.471 15.294 1.00 0.00 C ATOM 1106 C LYS A 70 11.882 -2.923 16.585 1.00 0.00 C ATOM 1107 O LYS A 70 12.608 -2.499 17.485 1.00 0.00 O ATOM 1108 CB LYS A 70 13.462 -4.600 15.611 1.00 0.00 C ATOM 1109 CG LYS A 70 12.838 -5.747 16.390 1.00 0.00 C ATOM 1110 CD LYS A 70 13.789 -6.288 17.444 1.00 0.00 C ATOM 1111 CE LYS A 70 13.399 -5.821 18.838 1.00 0.00 C ATOM 1112 NZ LYS A 70 14.537 -5.918 19.794 1.00 0.00 N ATOM 0 H LYS A 70 13.756 -1.819 15.103 1.00 0.00 H new ATOM 0 HA LYS A 70 11.671 -3.865 14.679 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.873 -4.986 14.678 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.297 -4.195 16.183 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.920 -5.406 16.868 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.562 -6.547 15.703 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.789 -7.377 17.411 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.805 -5.962 17.221 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.051 -4.789 18.791 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.566 -6.422 19.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.231 -5.591 20.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.853 -6.907 19.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.323 -5.324 19.460 1.00 0.00 H new ATOM 1126 N ASP A 71 10.557 -2.937 16.672 1.00 0.00 N ATOM 1127 CA ASP A 71 9.862 -2.443 17.856 1.00 0.00 C ATOM 1128 C ASP A 71 9.373 -3.601 18.719 1.00 0.00 C ATOM 1129 O ASP A 71 9.241 -4.736 18.264 1.00 0.00 O ATOM 1130 CB ASP A 71 8.683 -1.558 17.449 1.00 0.00 C ATOM 1131 CG ASP A 71 9.087 -0.111 17.244 1.00 0.00 C ATOM 1132 OD1 ASP A 71 10.285 0.138 16.995 1.00 0.00 O ATOM 1133 OD2 ASP A 71 8.207 0.769 17.332 1.00 0.00 O ATOM 0 H ASP A 71 9.942 -3.285 15.937 1.00 0.00 H new ATOM 0 HA ASP A 71 10.565 -1.850 18.441 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.244 -1.943 16.529 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.911 -1.611 18.217 1.00 0.00 H new ATOM 1138 N PRO A 72 9.095 -3.309 19.999 1.00 0.00 N ATOM 1139 CA PRO A 72 8.616 -4.312 20.955 1.00 0.00 C ATOM 1140 C PRO A 72 7.194 -4.770 20.649 1.00 0.00 C ATOM 1141 O PRO A 72 6.683 -5.697 21.278 1.00 0.00 O ATOM 1142 CB PRO A 72 8.663 -3.576 22.296 1.00 0.00 C ATOM 1143 CG PRO A 72 8.543 -2.134 21.941 1.00 0.00 C ATOM 1144 CD PRO A 72 9.227 -1.976 20.612 1.00 0.00 C ATOM 0 HA PRO A 72 9.219 -5.219 20.930 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.850 -3.892 22.950 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.594 -3.777 22.826 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.497 -1.833 21.880 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.012 -1.505 22.698 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.752 -1.206 20.005 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.272 -1.690 20.730 1.00 0.00 H new ATOM 1152 N GLU A 73 6.562 -4.117 19.680 1.00 0.00 N ATOM 1153 CA GLU A 73 5.198 -4.459 19.292 1.00 0.00 C ATOM 1154 C GLU A 73 5.195 -5.477 18.155 1.00 0.00 C ATOM 1155 O GLU A 73 4.393 -6.411 18.148 1.00 0.00 O ATOM 1156 CB GLU A 73 4.434 -3.203 18.867 1.00 0.00 C ATOM 1157 CG GLU A 73 2.982 -3.466 18.503 1.00 0.00 C ATOM 1158 CD GLU A 73 2.224 -2.196 18.174 1.00 0.00 C ATOM 1159 OE1 GLU A 73 2.672 -1.109 18.595 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.181 -2.289 17.493 1.00 0.00 O ATOM 0 H GLU A 73 6.972 -3.348 19.149 1.00 0.00 H new ATOM 0 HA GLU A 73 4.703 -4.902 20.156 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.470 -2.475 19.677 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.938 -2.754 18.012 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.942 -4.140 17.648 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.490 -3.974 19.332 1.00 0.00 H new ATOM 1167 N MET A 74 6.097 -5.290 17.199 1.00 0.00 N ATOM 1168 CA MET A 74 6.198 -6.194 16.058 1.00 0.00 C ATOM 1169 C MET A 74 7.648 -6.602 15.814 1.00 0.00 C ATOM 1170 O MET A 74 8.020 -7.757 16.016 1.00 0.00 O ATOM 1171 CB MET A 74 5.626 -5.531 14.803 1.00 0.00 C ATOM 1172 CG MET A 74 4.627 -6.402 14.058 1.00 0.00 C ATOM 1173 SD MET A 74 3.450 -5.438 13.090 1.00 0.00 S ATOM 1174 CE MET A 74 2.099 -6.603 12.939 1.00 0.00 C ATOM 0 H MET A 74 6.768 -4.522 17.190 1.00 0.00 H new ATOM 0 HA MET A 74 5.619 -7.090 16.284 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.142 -4.596 15.084 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.445 -5.276 14.131 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.165 -7.081 13.397 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.084 -7.019 14.774 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.291 -6.151 12.363 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.448 -7.501 12.430 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.733 -6.867 13.931 1.00 0.00 H new ATOM 1184 N GLY A 75 8.463 -5.644 15.381 1.00 0.00 N ATOM 1185 CA GLY A 75 9.863 -5.924 15.118 1.00 0.00 C ATOM 1186 C GLY A 75 10.167 -6.008 13.636 1.00 0.00 C ATOM 1187 O GLY A 75 11.027 -6.783 13.215 1.00 0.00 O ATOM 0 H GLY A 75 8.179 -4.680 15.208 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.477 -5.144 15.568 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.139 -6.864 15.597 1.00 0.00 H new ATOM 1191 N GLU A 76 9.462 -5.209 12.842 1.00 0.00 N ATOM 1192 CA GLU A 76 9.662 -5.198 11.397 1.00 0.00 C ATOM 1193 C GLU A 76 9.159 -3.892 10.788 1.00 0.00 C ATOM 1194 O GLU A 76 8.558 -3.888 9.714 1.00 0.00 O ATOM 1195 CB GLU A 76 8.943 -6.385 10.752 1.00 0.00 C ATOM 1196 CG GLU A 76 9.775 -7.104 9.703 1.00 0.00 C ATOM 1197 CD GLU A 76 10.671 -8.171 10.301 1.00 0.00 C ATOM 1198 OE1 GLU A 76 10.248 -8.820 11.279 1.00 0.00 O ATOM 1199 OE2 GLU A 76 11.797 -8.354 9.791 1.00 0.00 O ATOM 0 H GLU A 76 8.748 -4.561 13.174 1.00 0.00 H new ATOM 0 HA GLU A 76 10.731 -5.281 11.203 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.662 -7.095 11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.019 -6.033 10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.111 -7.561 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.388 -6.377 9.170 1.00 0.00 H new ATOM 1206 N ILE A 77 9.411 -2.788 11.482 1.00 0.00 N ATOM 1207 CA ILE A 77 8.985 -1.476 11.010 1.00 0.00 C ATOM 1208 C ILE A 77 10.035 -0.852 10.098 1.00 0.00 C ATOM 1209 O ILE A 77 11.088 -0.408 10.559 1.00 0.00 O ATOM 1210 CB ILE A 77 8.706 -0.519 12.183 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.495 -1.001 12.986 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.479 0.896 11.670 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.824 -2.095 13.976 1.00 0.00 C ATOM 0 H ILE A 77 9.908 -2.775 12.373 1.00 0.00 H new ATOM 0 HA ILE A 77 8.063 -1.627 10.448 1.00 0.00 H new ATOM 0 HB ILE A 77 9.575 -0.511 12.841 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.064 -0.155 13.521 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.733 -1.363 12.296 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.283 1.561 12.511 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.367 1.237 11.137 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.624 0.905 10.994 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.919 -2.387 14.509 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.227 -2.957 13.445 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.563 -1.730 14.689 1.00 0.00 H new ATOM 1225 N ILE A 78 9.743 -0.819 8.802 1.00 0.00 N ATOM 1226 CA ILE A 78 10.661 -0.246 7.826 1.00 0.00 C ATOM 1227 C ILE A 78 10.596 1.277 7.837 1.00 0.00 C ATOM 1228 O ILE A 78 9.617 1.868 7.382 1.00 0.00 O ATOM 1229 CB ILE A 78 10.358 -0.752 6.402 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.383 -2.281 6.366 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.360 -0.177 5.413 1.00 0.00 C ATOM 1232 CD1 ILE A 78 9.007 -2.907 6.304 1.00 0.00 C ATOM 0 H ILE A 78 8.877 -1.183 8.404 1.00 0.00 H new ATOM 0 HA ILE A 78 11.663 -0.566 8.111 1.00 0.00 H new ATOM 0 HB ILE A 78 9.361 -0.417 6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.961 -2.607 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.901 -2.649 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.134 -0.543 4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.299 0.911 5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.367 -0.487 5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.102 -3.993 6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.433 -2.611 7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.494 -2.569 5.404 1.00 0.00 H new ATOM 1244 N GLN A 79 11.644 1.906 8.358 1.00 0.00 N ATOM 1245 CA GLN A 79 11.704 3.362 8.426 1.00 0.00 C ATOM 1246 C GLN A 79 12.027 3.957 7.060 1.00 0.00 C ATOM 1247 O GLN A 79 13.046 3.628 6.452 1.00 0.00 O ATOM 1248 CB GLN A 79 12.754 3.801 9.449 1.00 0.00 C ATOM 1249 CG GLN A 79 12.924 5.309 9.535 1.00 0.00 C ATOM 1250 CD GLN A 79 13.398 5.766 10.901 1.00 0.00 C ATOM 1251 OE1 GLN A 79 14.484 6.328 11.039 1.00 0.00 O ATOM 1252 NE2 GLN A 79 12.581 5.527 11.920 1.00 0.00 N ATOM 0 H GLN A 79 12.463 1.431 8.739 1.00 0.00 H new ATOM 0 HA GLN A 79 10.726 3.728 8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.475 3.418 10.431 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.712 3.350 9.191 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.639 5.634 8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.974 5.792 9.304 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.690 5.058 11.760 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.845 5.812 12.863 1.00 0.00 H new ATOM 1261 N LEU A 80 11.153 4.836 6.581 1.00 0.00 N ATOM 1262 CA LEU A 80 11.343 5.478 5.286 1.00 0.00 C ATOM 1263 C LEU A 80 11.383 6.996 5.432 1.00 0.00 C ATOM 1264 O LEU A 80 10.368 7.629 5.720 1.00 0.00 O ATOM 1265 CB LEU A 80 10.224 5.076 4.325 1.00 0.00 C ATOM 1266 CG LEU A 80 10.664 4.631 2.931 1.00 0.00 C ATOM 1267 CD1 LEU A 80 9.792 3.488 2.434 1.00 0.00 C ATOM 1268 CD2 LEU A 80 10.618 5.800 1.958 1.00 0.00 C ATOM 0 H LEU A 80 10.305 5.120 7.071 1.00 0.00 H new ATOM 0 HA LEU A 80 12.298 5.145 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.655 4.265 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.544 5.921 4.217 1.00 0.00 H new ATOM 0 HG LEU A 80 11.693 4.276 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.121 3.185 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.876 2.643 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.754 3.816 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.935 5.464 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.600 6.186 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.286 6.588 2.305 1.00 0.00 H new ATOM 1280 N GLN A 81 12.563 7.574 5.229 1.00 0.00 N ATOM 1281 CA GLN A 81 12.734 9.018 5.337 1.00 0.00 C ATOM 1282 C GLN A 81 12.788 9.665 3.956 1.00 0.00 C ATOM 1283 O GLN A 81 13.488 9.187 3.064 1.00 0.00 O ATOM 1284 CB GLN A 81 14.008 9.346 6.117 1.00 0.00 C ATOM 1285 CG GLN A 81 14.131 8.585 7.427 1.00 0.00 C ATOM 1286 CD GLN A 81 15.335 9.015 8.241 1.00 0.00 C ATOM 1287 OE1 GLN A 81 15.880 10.101 8.038 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.759 8.165 9.169 1.00 0.00 N ATOM 0 H GLN A 81 13.414 7.065 4.989 1.00 0.00 H new ATOM 0 HA GLN A 81 11.875 9.421 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.874 9.122 5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.032 10.416 6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.226 8.735 8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.201 7.518 7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.278 7.276 9.304 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.566 8.401 9.747 1.00 0.00 H new ATOM 1297 N GLY A 82 12.045 10.755 3.787 1.00 0.00 N ATOM 1298 CA GLY A 82 12.024 11.448 2.513 1.00 0.00 C ATOM 1299 C GLY A 82 10.804 12.334 2.355 1.00 0.00 C ATOM 1300 O GLY A 82 9.848 12.229 3.125 1.00 0.00 O ATOM 0 H GLY A 82 11.457 11.170 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.925 12.055 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.045 10.717 1.705 1.00 0.00 H new ATOM 1304 N ASP A 83 10.836 13.210 1.358 1.00 0.00 N ATOM 1305 CA ASP A 83 9.725 14.119 1.102 1.00 0.00 C ATOM 1306 C ASP A 83 8.819 13.576 0.003 1.00 0.00 C ATOM 1307 O ASP A 83 8.200 14.339 -0.737 1.00 0.00 O ATOM 1308 CB ASP A 83 10.249 15.502 0.712 1.00 0.00 C ATOM 1309 CG ASP A 83 9.286 16.612 1.083 1.00 0.00 C ATOM 1310 OD1 ASP A 83 9.201 16.947 2.283 1.00 0.00 O ATOM 1311 OD2 ASP A 83 8.617 17.147 0.174 1.00 0.00 O ATOM 0 H ASP A 83 11.620 13.310 0.713 1.00 0.00 H new ATOM 0 HA ASP A 83 9.141 14.205 2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.206 15.676 1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.432 15.528 -0.362 1.00 0.00 H new ATOM 1316 N GLN A 84 8.748 12.251 -0.098 1.00 0.00 N ATOM 1317 CA GLN A 84 7.919 11.606 -1.109 1.00 0.00 C ATOM 1318 C GLN A 84 7.029 10.537 -0.482 1.00 0.00 C ATOM 1319 O GLN A 84 6.987 9.399 -0.951 1.00 0.00 O ATOM 1320 CB GLN A 84 8.797 10.984 -2.197 1.00 0.00 C ATOM 1321 CG GLN A 84 9.297 11.987 -3.224 1.00 0.00 C ATOM 1322 CD GLN A 84 10.569 12.686 -2.786 1.00 0.00 C ATOM 1323 OE1 GLN A 84 11.578 12.041 -2.505 1.00 0.00 O ATOM 1324 NE2 GLN A 84 10.527 14.012 -2.726 1.00 0.00 N ATOM 0 H GLN A 84 9.254 11.605 0.508 1.00 0.00 H new ATOM 0 HA GLN A 84 7.280 12.366 -1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.653 10.500 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.231 10.205 -2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.476 11.475 -4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.522 12.732 -3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.668 14.507 -2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.353 14.536 -2.438 1.00 0.00 H new ATOM 1333 N ARG A 85 6.323 10.910 0.579 1.00 0.00 N ATOM 1334 CA ARG A 85 5.437 9.983 1.271 1.00 0.00 C ATOM 1335 C ARG A 85 4.357 9.457 0.329 1.00 0.00 C ATOM 1336 O ARG A 85 4.246 8.252 0.108 1.00 0.00 O ATOM 1337 CB ARG A 85 4.788 10.666 2.476 1.00 0.00 C ATOM 1338 CG ARG A 85 3.892 9.747 3.289 1.00 0.00 C ATOM 1339 CD ARG A 85 2.543 10.389 3.571 1.00 0.00 C ATOM 1340 NE ARG A 85 1.708 10.458 2.376 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.486 10.979 2.362 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.039 11.476 3.473 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.212 11.007 1.232 1.00 0.00 N ATOM 0 H ARG A 85 6.347 11.848 0.979 1.00 0.00 H new ATOM 0 HA ARG A 85 6.035 9.140 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.571 11.062 3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.202 11.516 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.745 8.811 2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.382 9.499 4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.025 9.819 4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.695 11.394 3.965 1.00 0.00 H new ATOM 0 HE ARG A 85 2.083 10.086 1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.495 11.459 4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.977 11.875 3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.190 10.628 0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.150 11.407 1.222 1.00 0.00 H new ATOM 1357 N ALA A 86 3.565 10.370 -0.222 1.00 0.00 N ATOM 1358 CA ALA A 86 2.496 9.999 -1.142 1.00 0.00 C ATOM 1359 C ALA A 86 3.031 9.157 -2.295 1.00 0.00 C ATOM 1360 O ALA A 86 2.302 8.359 -2.886 1.00 0.00 O ATOM 1361 CB ALA A 86 1.802 11.244 -1.674 1.00 0.00 C ATOM 0 H ALA A 86 3.643 11.372 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 86 1.771 9.398 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.006 10.952 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.377 11.807 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.525 11.866 -2.201 1.00 0.00 H new ATOM 1367 N LYS A 87 4.309 9.338 -2.611 1.00 0.00 N ATOM 1368 CA LYS A 87 4.944 8.595 -3.694 1.00 0.00 C ATOM 1369 C LYS A 87 5.221 7.155 -3.274 1.00 0.00 C ATOM 1370 O LYS A 87 4.970 6.216 -4.031 1.00 0.00 O ATOM 1371 CB LYS A 87 6.248 9.276 -4.110 1.00 0.00 C ATOM 1372 CG LYS A 87 6.552 9.149 -5.594 1.00 0.00 C ATOM 1373 CD LYS A 87 6.089 10.372 -6.366 1.00 0.00 C ATOM 1374 CE LYS A 87 6.895 10.565 -7.641 1.00 0.00 C ATOM 1375 NZ LYS A 87 6.190 11.442 -8.616 1.00 0.00 N ATOM 0 H LYS A 87 4.926 9.994 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 87 4.261 8.583 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.197 10.333 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.071 8.845 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.624 9.013 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.062 8.260 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.033 10.268 -6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.183 11.257 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.864 11.000 -7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.088 9.595 -8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.772 11.549 -9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.277 11.015 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.028 12.376 -8.189 1.00 0.00 H new ATOM 1389 N VAL A 88 5.740 6.986 -2.061 1.00 0.00 N ATOM 1390 CA VAL A 88 6.050 5.660 -1.540 1.00 0.00 C ATOM 1391 C VAL A 88 4.788 4.816 -1.399 1.00 0.00 C ATOM 1392 O VAL A 88 4.835 3.589 -1.502 1.00 0.00 O ATOM 1393 CB VAL A 88 6.752 5.745 -0.171 1.00 0.00 C ATOM 1394 CG1 VAL A 88 7.050 4.352 0.363 1.00 0.00 C ATOM 1395 CG2 VAL A 88 8.028 6.567 -0.279 1.00 0.00 C ATOM 0 H VAL A 88 5.954 7.751 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 88 6.722 5.188 -2.257 1.00 0.00 H new ATOM 0 HB VAL A 88 6.083 6.242 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.546 4.432 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.118 3.799 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.700 3.826 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.512 6.617 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.703 6.099 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.784 7.575 -0.616 1.00 0.00 H new ATOM 1405 N CYS A 89 3.662 5.480 -1.165 1.00 0.00 N ATOM 1406 CA CYS A 89 2.385 4.792 -1.010 1.00 0.00 C ATOM 1407 C CYS A 89 1.795 4.431 -2.369 1.00 0.00 C ATOM 1408 O CYS A 89 1.195 3.368 -2.533 1.00 0.00 O ATOM 1409 CB CYS A 89 1.403 5.665 -0.229 1.00 0.00 C ATOM 1410 SG CYS A 89 0.131 4.733 0.657 1.00 0.00 S ATOM 0 H CYS A 89 3.607 6.495 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 89 2.561 3.871 -0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.960 6.269 0.487 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.918 6.355 -0.920 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.650 5.558 1.289 1.00 0.00 H new ATOM 1416 N GLU A 90 1.966 5.323 -3.339 1.00 0.00 N ATOM 1417 CA GLU A 90 1.446 5.098 -4.684 1.00 0.00 C ATOM 1418 C GLU A 90 2.283 4.059 -5.423 1.00 0.00 C ATOM 1419 O GLU A 90 1.765 3.294 -6.237 1.00 0.00 O ATOM 1420 CB GLU A 90 1.427 6.409 -5.472 1.00 0.00 C ATOM 1421 CG GLU A 90 0.243 7.303 -5.138 1.00 0.00 C ATOM 1422 CD GLU A 90 0.170 8.529 -6.025 1.00 0.00 C ATOM 1423 OE1 GLU A 90 0.809 9.547 -5.684 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -0.525 8.474 -7.062 1.00 0.00 O ATOM 0 H GLU A 90 2.460 6.207 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 90 0.427 4.721 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.350 6.954 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.411 6.182 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.679 6.731 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.312 7.616 -4.096 1.00 0.00 H new ATOM 1431 N PHE A 91 3.581 4.040 -5.136 1.00 0.00 N ATOM 1432 CA PHE A 91 4.490 3.096 -5.776 1.00 0.00 C ATOM 1433 C PHE A 91 4.419 1.729 -5.102 1.00 0.00 C ATOM 1434 O PHE A 91 4.566 0.695 -5.752 1.00 0.00 O ATOM 1435 CB PHE A 91 5.926 3.627 -5.727 1.00 0.00 C ATOM 1436 CG PHE A 91 6.770 3.177 -6.885 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.727 3.852 -8.094 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.608 2.080 -6.764 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.502 3.439 -9.161 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.386 1.663 -7.827 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.334 2.345 -9.028 1.00 0.00 C ATOM 0 H PHE A 91 4.026 4.667 -4.465 1.00 0.00 H new ATOM 0 HA PHE A 91 4.185 2.984 -6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.902 4.717 -5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.394 3.301 -4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.081 4.710 -8.204 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.654 1.544 -5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.457 3.972 -10.099 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.034 0.805 -7.720 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.942 2.023 -9.860 1.00 0.00 H new ATOM 1451 N MET A 92 4.192 1.733 -3.792 1.00 0.00 N ATOM 1452 CA MET A 92 4.101 0.493 -3.029 1.00 0.00 C ATOM 1453 C MET A 92 2.844 -0.285 -3.407 1.00 0.00 C ATOM 1454 O MET A 92 2.889 -1.503 -3.590 1.00 0.00 O ATOM 1455 CB MET A 92 4.097 0.793 -1.529 1.00 0.00 C ATOM 1456 CG MET A 92 3.992 -0.451 -0.661 1.00 0.00 C ATOM 1457 SD MET A 92 5.541 -0.850 0.173 1.00 0.00 S ATOM 1458 CE MET A 92 5.632 0.480 1.370 1.00 0.00 C ATOM 0 H MET A 92 4.068 2.580 -3.237 1.00 0.00 H new ATOM 0 HA MET A 92 4.971 -0.118 -3.268 1.00 0.00 H new ATOM 0 HB2 MET A 92 5.010 1.330 -1.272 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.263 1.456 -1.302 1.00 0.00 H new ATOM 0 HG2 MET A 92 3.210 -0.304 0.084 1.00 0.00 H new ATOM 0 HG3 MET A 92 3.689 -1.296 -1.279 1.00 0.00 H new ATOM 0 HE1 MET A 92 5.950 0.081 2.333 1.00 0.00 H new ATOM 0 HE2 MET A 92 6.351 1.226 1.031 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.651 0.943 1.475 1.00 0.00 H new ATOM 1468 N ILE A 93 1.725 0.424 -3.521 1.00 0.00 N ATOM 1469 CA ILE A 93 0.459 -0.203 -3.877 1.00 0.00 C ATOM 1470 C ILE A 93 0.426 -0.574 -5.355 1.00 0.00 C ATOM 1471 O ILE A 93 -0.023 -1.658 -5.724 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.733 0.721 -3.565 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -0.744 1.092 -2.080 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.041 0.051 -3.959 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.615 2.286 -1.761 1.00 0.00 C ATOM 0 H ILE A 93 1.670 1.432 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 93 0.375 -1.108 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.627 1.636 -4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.091 0.235 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.276 1.301 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.874 0.717 -3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.031 -0.167 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.157 -0.878 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.574 2.491 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.256 3.156 -2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.644 2.073 -2.051 1.00 0.00 H new ATOM 1487 N SER A 94 0.907 0.335 -6.199 1.00 0.00 N ATOM 1488 CA SER A 94 0.930 0.104 -7.638 1.00 0.00 C ATOM 1489 C SER A 94 1.874 -1.043 -7.989 1.00 0.00 C ATOM 1490 O SER A 94 1.706 -1.706 -9.013 1.00 0.00 O ATOM 1491 CB SER A 94 1.361 1.375 -8.373 1.00 0.00 C ATOM 1492 OG SER A 94 2.723 1.675 -8.122 1.00 0.00 O ATOM 0 H SER A 94 1.285 1.237 -5.910 1.00 0.00 H new ATOM 0 HA SER A 94 -0.078 -0.167 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.205 1.249 -9.444 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.737 2.211 -8.056 1.00 0.00 H new ATOM 0 HG SER A 94 3.000 1.258 -7.280 1.00 0.00 H new ATOM 1498 N GLN A 95 2.864 -1.269 -7.134 1.00 0.00 N ATOM 1499 CA GLN A 95 3.836 -2.334 -7.352 1.00 0.00 C ATOM 1500 C GLN A 95 3.392 -3.623 -6.668 1.00 0.00 C ATOM 1501 O GLN A 95 3.691 -4.721 -7.138 1.00 0.00 O ATOM 1502 CB GLN A 95 5.212 -1.914 -6.834 1.00 0.00 C ATOM 1503 CG GLN A 95 6.282 -2.979 -7.017 1.00 0.00 C ATOM 1504 CD GLN A 95 6.708 -3.609 -5.704 1.00 0.00 C ATOM 1505 OE1 GLN A 95 5.894 -3.797 -4.800 1.00 0.00 O ATOM 1506 NE2 GLN A 95 7.989 -3.938 -5.595 1.00 0.00 N ATOM 0 H GLN A 95 3.015 -0.729 -6.282 1.00 0.00 H new ATOM 0 HA GLN A 95 3.902 -2.517 -8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.523 -1.006 -7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.133 -1.668 -5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.906 -3.755 -7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.152 -2.536 -7.502 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.628 -3.764 -6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.334 -4.365 -4.736 1.00 0.00 H new ATOM 1515 N LEU A 96 2.681 -3.482 -5.556 1.00 0.00 N ATOM 1516 CA LEU A 96 2.197 -4.635 -4.804 1.00 0.00 C ATOM 1517 C LEU A 96 1.054 -5.325 -5.543 1.00 0.00 C ATOM 1518 O LEU A 96 0.805 -6.514 -5.351 1.00 0.00 O ATOM 1519 CB LEU A 96 1.733 -4.204 -3.413 1.00 0.00 C ATOM 1520 CG LEU A 96 2.820 -4.116 -2.341 1.00 0.00 C ATOM 1521 CD1 LEU A 96 2.272 -3.473 -1.076 1.00 0.00 C ATOM 1522 CD2 LEU A 96 3.382 -5.497 -2.037 1.00 0.00 C ATOM 0 H LEU A 96 2.426 -2.580 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 96 3.020 -5.343 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.254 -3.228 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.971 -4.905 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 96 3.628 -3.491 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.060 -3.419 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.918 -2.468 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.445 -4.071 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.154 -5.415 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.582 -6.144 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.813 -5.922 -2.944 1.00 0.00 H new ATOM 1534 N GLY A 97 0.362 -4.569 -6.390 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.745 -5.125 -7.147 1.00 0.00 C ATOM 1536 C GLY A 97 -2.086 -4.587 -6.691 1.00 0.00 C ATOM 1537 O GLY A 97 -3.070 -5.324 -6.625 1.00 0.00 O ATOM 0 H GLY A 97 0.548 -3.582 -6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.607 -4.900 -8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.740 -6.211 -7.049 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.128 -3.297 -6.375 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.360 -2.659 -5.922 1.00 0.00 C ATOM 1543 C LEU A 98 -3.829 -3.258 -4.600 1.00 0.00 C ATOM 1544 O LEU A 98 -4.943 -3.770 -4.500 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.454 -2.809 -6.980 1.00 0.00 C ATOM 1546 CG LEU A 98 -5.549 -1.742 -6.971 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -4.979 -0.391 -7.376 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -6.691 -2.140 -7.893 1.00 0.00 C ATOM 0 H LEU A 98 -1.323 -2.672 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.156 -1.600 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.983 -2.809 -7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.924 -3.784 -6.852 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.941 -1.660 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.772 0.357 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.197 -0.101 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.559 -0.459 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.461 -1.368 -7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.315 -2.252 -8.910 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.117 -3.086 -7.558 1.00 0.00 H new ATOM 1560 N GLN A 99 -2.969 -3.188 -3.588 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.296 -3.723 -2.271 1.00 0.00 C ATOM 1562 C GLN A 99 -3.869 -2.634 -1.368 1.00 0.00 C ATOM 1563 O GLN A 99 -3.173 -1.687 -1.003 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.055 -4.337 -1.624 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.373 -5.319 -0.508 1.00 0.00 C ATOM 1566 CD GLN A 99 -1.956 -6.738 -0.843 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -1.029 -7.284 -0.242 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -2.641 -7.345 -1.804 1.00 0.00 N ATOM 0 H GLN A 99 -2.042 -2.767 -3.655 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.051 -4.498 -2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.471 -4.847 -2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.430 -3.538 -1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.868 -5.002 0.405 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.444 -5.297 -0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.401 -6.855 -2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.407 -8.301 -2.071 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.142 -2.775 -1.013 1.00 0.00 N ATOM 1578 CA LYS A 100 -5.809 -1.805 -0.152 1.00 0.00 C ATOM 1579 C LYS A 100 -6.901 -2.475 0.677 1.00 0.00 C ATOM 1580 O LYS A 100 -7.792 -1.807 1.201 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.410 -0.676 -0.993 1.00 0.00 C ATOM 1582 CG LYS A 100 -6.178 0.706 -0.409 1.00 0.00 C ATOM 1583 CD LYS A 100 -6.708 1.795 -1.326 1.00 0.00 C ATOM 1584 CE LYS A 100 -6.736 3.147 -0.628 1.00 0.00 C ATOM 1585 NZ LYS A 100 -5.374 3.590 -0.223 1.00 0.00 N ATOM 0 H LYS A 100 -5.733 -3.552 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.067 -1.387 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.983 -0.714 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.482 -0.842 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.666 0.778 0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.112 0.857 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.084 1.857 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.713 1.535 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.177 3.890 -1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.376 3.088 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.429 4.537 0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.983 2.921 0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.756 3.622 -1.059 1.00 0.00 H new ATOM 1599 N LYS A 101 -6.823 -3.795 0.793 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.803 -4.556 1.560 1.00 0.00 C ATOM 1601 C LYS A 101 -7.909 -4.022 2.986 1.00 0.00 C ATOM 1602 O LYS A 101 -8.948 -4.157 3.633 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.423 -6.038 1.586 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.190 -6.879 0.581 1.00 0.00 C ATOM 1605 CD LYS A 101 -7.254 -7.575 -0.393 1.00 0.00 C ATOM 1606 CE LYS A 101 -7.905 -8.801 -1.014 1.00 0.00 C ATOM 1607 NZ LYS A 101 -7.121 -10.039 -0.750 1.00 0.00 N ATOM 0 H LYS A 101 -6.091 -4.362 0.365 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.773 -4.445 1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.355 -6.134 1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.599 -6.432 2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.787 -7.623 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.885 -6.245 0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.963 -6.879 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -6.342 -7.870 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.913 -8.918 -0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.002 -8.655 -2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.769 -10.848 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.464 -10.208 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.582 -9.927 0.132 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.830 -3.416 3.468 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.802 -2.861 4.817 1.00 0.00 C ATOM 1623 C ASN A 102 -5.524 -2.063 5.051 1.00 0.00 C ATOM 1624 O ASN A 102 -4.461 -2.407 4.532 1.00 0.00 O ATOM 1625 CB ASN A 102 -6.915 -3.981 5.852 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.412 -3.478 7.195 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.849 -2.548 7.770 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.474 -4.095 7.700 1.00 0.00 N ATOM 0 H ASN A 102 -5.963 -3.296 2.945 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.653 -2.188 4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.594 -4.749 5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.941 -4.453 5.981 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -8.854 -3.802 8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -8.909 -4.862 7.188 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.634 -0.994 5.835 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.487 -0.149 6.138 1.00 0.00 C ATOM 1637 C ILE A 103 -4.499 0.289 7.600 1.00 0.00 C ATOM 1638 O ILE A 103 -5.451 0.915 8.063 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.456 1.100 5.240 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -3.210 1.938 5.537 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -5.717 1.928 5.440 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -3.118 3.200 4.707 1.00 0.00 C ATOM 0 H ILE A 103 -6.506 -0.694 6.271 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.595 -0.746 5.947 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.416 0.780 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.206 2.207 6.593 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.323 1.330 5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.680 2.808 4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.590 1.328 5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.785 2.242 6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.211 3.744 4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.090 2.939 3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.987 3.828 4.903 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.434 -0.044 8.320 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.318 0.317 9.728 1.00 0.00 C ATOM 1656 C LYS A 104 -2.428 1.543 9.904 1.00 0.00 C ATOM 1657 O LYS A 104 -1.203 1.426 9.974 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.753 -0.857 10.532 1.00 0.00 C ATOM 1659 CG LYS A 104 -2.537 -0.541 12.001 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.455 -1.363 12.891 1.00 0.00 C ATOM 1661 CE LYS A 104 -2.809 -2.681 13.289 1.00 0.00 C ATOM 1662 NZ LYS A 104 -3.219 -3.109 14.655 1.00 0.00 N ATOM 0 H LYS A 104 -2.638 -0.564 7.952 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.314 0.557 10.099 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.433 -1.705 10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.804 -1.164 10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.499 -0.738 12.267 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.715 0.520 12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.703 -0.793 13.786 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.391 -1.558 12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.083 -3.452 12.569 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.724 -2.580 13.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.758 -4.011 14.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.935 -2.385 15.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.251 -3.230 14.686 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.049 2.715 9.977 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.312 3.960 10.148 1.00 0.00 C ATOM 1678 C ILE A 105 -2.366 4.437 11.595 1.00 0.00 C ATOM 1679 O ILE A 105 -3.368 4.248 12.285 1.00 0.00 O ATOM 1680 CB ILE A 105 -2.862 5.069 9.232 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -2.125 6.385 9.490 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -4.357 5.243 9.450 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -2.575 7.517 8.592 1.00 0.00 C ATOM 0 H ILE A 105 -4.061 2.828 9.920 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.277 3.754 9.875 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.697 4.778 8.195 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.272 6.677 10.530 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.056 6.226 9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.731 6.030 8.795 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -4.869 4.308 9.222 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.544 5.515 10.489 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.010 8.418 8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.402 7.246 7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.638 7.704 8.747 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.282 5.057 12.050 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.206 5.564 13.416 1.00 0.00 C ATOM 1697 C HIS A 106 -1.828 6.954 13.514 1.00 0.00 C ATOM 1698 O HIS A 106 -1.413 7.881 12.820 1.00 0.00 O ATOM 1699 CB HIS A 106 0.248 5.608 13.885 1.00 0.00 C ATOM 1700 CG HIS A 106 0.429 6.288 15.208 1.00 0.00 C ATOM 1701 ND1 HIS A 106 0.273 5.641 16.415 1.00 0.00 N ATOM 1702 CD2 HIS A 106 0.755 7.566 15.508 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.494 6.491 17.400 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.790 7.668 16.877 1.00 0.00 N ATOM 0 H HIS A 106 -0.444 5.221 11.493 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.767 4.888 14.061 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.630 4.590 13.954 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.848 6.124 13.135 1.00 0.00 H new ATOM 0 HD1 HIS A 106 0.025 4.658 16.529 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.951 8.359 14.802 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.442 6.263 18.454 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.827 7.090 14.380 1.00 0.00 N ATOM 1713 CA GLY A 107 -3.491 8.369 14.553 1.00 0.00 C ATOM 1714 C GLY A 107 -2.829 9.227 15.614 1.00 0.00 C ATOM 1715 O GLY A 107 -2.937 8.942 16.807 1.00 0.00 O ATOM 0 H GLY A 107 -3.189 6.337 14.965 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.492 8.906 13.604 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.533 8.200 14.825 1.00 0.00 H new ATOM 1719 N PHE A 108 -2.143 10.278 15.180 1.00 0.00 N ATOM 1720 CA PHE A 108 -1.460 11.178 16.101 1.00 0.00 C ATOM 1721 C PHE A 108 -0.552 10.400 17.050 1.00 0.00 C ATOM 1722 O PHE A 108 0.049 10.972 17.958 1.00 0.00 O ATOM 1723 CB PHE A 108 -2.479 11.990 16.905 1.00 0.00 C ATOM 1724 CG PHE A 108 -1.978 13.347 17.308 1.00 0.00 C ATOM 1725 CD1 PHE A 108 -2.044 14.415 16.425 1.00 0.00 C ATOM 1726 CD2 PHE A 108 -1.442 13.557 18.568 1.00 0.00 C ATOM 1727 CE1 PHE A 108 -1.586 15.666 16.794 1.00 0.00 C ATOM 1728 CE2 PHE A 108 -0.983 14.805 18.943 1.00 0.00 C ATOM 1729 CZ PHE A 108 -1.052 15.861 18.053 1.00 0.00 C ATOM 0 H PHE A 108 -2.045 10.528 14.196 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.844 11.859 15.513 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.387 12.107 16.313 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.752 11.431 17.800 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.458 14.267 15.438 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.382 12.735 19.266 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -1.646 16.490 16.099 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.571 14.956 19.930 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.689 16.836 18.342 1.00 0.00 H new