USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 386 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 NoAdj-H: A 609 HIS HE2 : A 609 HIS NE2 : A 702 ZNZN :(H bumps) USER MOD Single : A 566 THR OG1 : rot 26:sc= 0.22 USER MOD Single : A 571 LYS NZ :NH3+ 178:sc= 1.08 (180deg=1.08) USER MOD Single : A 577 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 578 SER OG : rot -160:sc= 0.538 USER MOD Single : A 581 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 582 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 585 HIS : no HD1:sc= 0.258 K(o=0.26,f=-2.9!) USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ -152:sc= 0.85 (180deg=0.422) USER MOD Single : A 592 SER OG : rot -133:sc= 0.364 USER MOD Single : A 606 CYS SG : rot 58:sc= 0.0462 USER MOD Single : A 608 TYR OH : rot -3:sc= 0.625 USER MOD Single : A 611 SER OG : rot 180:sc= 0.00133 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 566 4.419 -17.062 -15.341 1.00 0.00 N ATOM 2 CA THR A 566 4.571 -15.638 -14.955 1.00 0.00 C ATOM 3 C THR A 566 3.308 -15.136 -14.273 1.00 0.00 C ATOM 4 O THR A 566 2.205 -15.374 -14.763 1.00 0.00 O ATOM 5 CB THR A 566 4.909 -14.764 -16.167 1.00 0.00 C ATOM 6 OG1 THR A 566 6.008 -15.341 -16.835 1.00 0.00 O ATOM 7 CG2 THR A 566 5.316 -13.338 -15.789 1.00 0.00 C ATOM 0 HA THR A 566 5.401 -15.569 -14.252 1.00 0.00 H new ATOM 0 HB THR A 566 4.010 -14.712 -16.782 1.00 0.00 H new ATOM 0 HG1 THR A 566 6.033 -16.303 -16.652 1.00 0.00 H new ATOM 0 HG21 THR A 566 5.542 -12.772 -16.693 1.00 0.00 H new ATOM 0 HG22 THR A 566 4.498 -12.856 -15.254 1.00 0.00 H new ATOM 0 HG23 THR A 566 6.199 -13.369 -15.150 1.00 0.00 H new ATOM 15 N ASP A 567 3.451 -14.440 -13.141 1.00 0.00 N ATOM 16 CA ASP A 567 2.347 -13.922 -12.316 1.00 0.00 C ATOM 17 C ASP A 567 2.637 -12.490 -11.827 1.00 0.00 C ATOM 18 O ASP A 567 3.795 -12.113 -11.626 1.00 0.00 O ATOM 19 CB ASP A 567 2.103 -14.856 -11.119 1.00 0.00 C ATOM 20 CG ASP A 567 1.570 -16.234 -11.544 1.00 0.00 C ATOM 21 OD1 ASP A 567 0.330 -16.394 -11.652 1.00 0.00 O ATOM 22 OD2 ASP A 567 2.384 -17.167 -11.752 1.00 0.00 O ATOM 0 H ASP A 567 4.368 -14.212 -12.758 1.00 0.00 H new ATOM 0 HA ASP A 567 1.449 -13.888 -12.933 1.00 0.00 H new ATOM 0 HB2 ASP A 567 3.034 -14.985 -10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 567 1.391 -14.389 -10.438 1.00 0.00 H new ATOM 27 N GLU A 568 1.587 -11.689 -11.624 1.00 0.00 N ATOM 28 CA GLU A 568 1.661 -10.277 -11.208 1.00 0.00 C ATOM 29 C GLU A 568 0.592 -9.923 -10.156 1.00 0.00 C ATOM 30 O GLU A 568 -0.449 -10.581 -10.053 1.00 0.00 O ATOM 31 CB GLU A 568 1.506 -9.354 -12.433 1.00 0.00 C ATOM 32 CG GLU A 568 2.672 -9.396 -13.436 1.00 0.00 C ATOM 33 CD GLU A 568 4.022 -8.895 -12.870 1.00 0.00 C ATOM 34 OE1 GLU A 568 4.049 -8.181 -11.838 1.00 0.00 O ATOM 35 OE2 GLU A 568 5.076 -9.179 -13.493 1.00 0.00 O ATOM 0 H GLU A 568 0.628 -12.012 -11.748 1.00 0.00 H new ATOM 0 HA GLU A 568 2.639 -10.127 -10.751 1.00 0.00 H new ATOM 0 HB2 GLU A 568 0.588 -9.622 -12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 568 1.386 -8.329 -12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 568 2.797 -10.421 -13.786 1.00 0.00 H new ATOM 0 HG3 GLU A 568 2.410 -8.792 -14.305 1.00 0.00 H new ATOM 42 N ALA A 569 0.841 -8.856 -9.390 1.00 0.00 N ATOM 43 CA ALA A 569 -0.060 -8.260 -8.413 1.00 0.00 C ATOM 44 C ALA A 569 0.295 -6.778 -8.242 1.00 0.00 C ATOM 45 O ALA A 569 1.472 -6.426 -8.136 1.00 0.00 O ATOM 46 CB ALA A 569 0.079 -8.975 -7.064 1.00 0.00 C ATOM 0 H ALA A 569 1.731 -8.360 -9.443 1.00 0.00 H new ATOM 0 HA ALA A 569 -1.087 -8.359 -8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -0.599 -8.522 -6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -0.170 -10.029 -7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 569 1.105 -8.883 -6.707 1.00 0.00 H new ATOM 52 N LEU A 570 -0.730 -5.934 -8.178 1.00 0.00 N ATOM 53 CA LEU A 570 -0.701 -4.517 -7.813 1.00 0.00 C ATOM 54 C LEU A 570 -2.028 -4.155 -7.124 1.00 0.00 C ATOM 55 O LEU A 570 -3.093 -4.615 -7.547 1.00 0.00 O ATOM 56 CB LEU A 570 -0.484 -3.629 -9.054 1.00 0.00 C ATOM 57 CG LEU A 570 0.863 -3.819 -9.775 1.00 0.00 C ATOM 58 CD1 LEU A 570 0.872 -3.014 -11.062 1.00 0.00 C ATOM 59 CD2 LEU A 570 2.064 -3.343 -8.959 1.00 0.00 C ATOM 0 H LEU A 570 -1.677 -6.245 -8.396 1.00 0.00 H new ATOM 0 HA LEU A 570 0.132 -4.341 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -1.288 -3.824 -9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -0.571 -2.585 -8.753 1.00 0.00 H new ATOM 0 HG LEU A 570 0.955 -4.891 -9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 570 1.827 -3.151 -11.570 1.00 0.00 H new ATOM 0 HD12 LEU A 570 0.064 -3.355 -11.710 1.00 0.00 H new ATOM 0 HD13 LEU A 570 0.731 -1.958 -10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 570 2.979 -3.507 -9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 570 1.958 -2.280 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 570 2.113 -3.901 -8.024 1.00 0.00 H new ATOM 71 N LYS A 571 -1.965 -3.327 -6.078 1.00 0.00 N ATOM 72 CA LYS A 571 -3.136 -2.837 -5.323 1.00 0.00 C ATOM 73 C LYS A 571 -3.488 -1.377 -5.660 1.00 0.00 C ATOM 74 O LYS A 571 -2.587 -0.592 -5.970 1.00 0.00 O ATOM 75 CB LYS A 571 -2.944 -3.002 -3.803 1.00 0.00 C ATOM 76 CG LYS A 571 -2.665 -4.449 -3.371 1.00 0.00 C ATOM 77 CD LYS A 571 -3.086 -4.670 -1.910 1.00 0.00 C ATOM 78 CE LYS A 571 -2.694 -6.080 -1.451 1.00 0.00 C ATOM 79 NZ LYS A 571 -3.452 -6.502 -0.242 1.00 0.00 N ATOM 0 H LYS A 571 -1.081 -2.967 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 571 -3.975 -3.458 -5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 571 -2.118 -2.369 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 571 -3.838 -2.645 -3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 571 -3.207 -5.138 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 571 -1.604 -4.670 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 571 -2.610 -3.927 -1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 571 -4.163 -4.534 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 571 -2.876 -6.788 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 571 -1.625 -6.108 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 571 -3.182 -7.473 0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 571 -3.232 -5.861 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 571 -4.472 -6.468 -0.442 1.00 0.00 H new ATOM 93 N PRO A 572 -4.770 -0.982 -5.564 1.00 0.00 N ATOM 94 CA PRO A 572 -5.193 0.409 -5.694 1.00 0.00 C ATOM 95 C PRO A 572 -4.744 1.249 -4.487 1.00 0.00 C ATOM 96 O PRO A 572 -4.890 0.838 -3.333 1.00 0.00 O ATOM 97 CB PRO A 572 -6.719 0.362 -5.812 1.00 0.00 C ATOM 98 CG PRO A 572 -7.104 -0.906 -5.050 1.00 0.00 C ATOM 99 CD PRO A 572 -5.913 -1.837 -5.278 1.00 0.00 C ATOM 0 HA PRO A 572 -4.741 0.886 -6.563 1.00 0.00 H new ATOM 0 HB2 PRO A 572 -7.182 1.247 -5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 572 -7.039 0.316 -6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 572 -7.259 -0.705 -3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 572 -8.029 -1.338 -5.431 1.00 0.00 H new ATOM 0 HD2 PRO A 572 -5.727 -2.452 -4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 572 -6.106 -2.518 -6.107 1.00 0.00 H new ATOM 107 N CYS A 573 -4.251 2.456 -4.763 1.00 0.00 N ATOM 108 CA CYS A 573 -3.962 3.494 -3.779 1.00 0.00 C ATOM 109 C CYS A 573 -5.214 3.835 -2.941 1.00 0.00 C ATOM 110 O CYS A 573 -6.282 4.105 -3.501 1.00 0.00 O ATOM 111 CB CYS A 573 -3.468 4.695 -4.586 1.00 0.00 C ATOM 112 SG CYS A 573 -3.231 6.229 -3.611 1.00 0.00 S ATOM 0 H CYS A 573 -4.034 2.747 -5.716 1.00 0.00 H new ATOM 0 HA CYS A 573 -3.212 3.171 -3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 573 -2.522 4.432 -5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 573 -4.181 4.896 -5.386 1.00 0.00 H new ATOM 117 N PRO A 574 -5.123 3.866 -1.602 1.00 0.00 N ATOM 118 CA PRO A 574 -6.249 4.168 -0.717 1.00 0.00 C ATOM 119 C PRO A 574 -6.723 5.635 -0.807 1.00 0.00 C ATOM 120 O PRO A 574 -7.779 5.961 -0.258 1.00 0.00 O ATOM 121 CB PRO A 574 -5.756 3.780 0.684 1.00 0.00 C ATOM 122 CG PRO A 574 -4.256 4.007 0.582 1.00 0.00 C ATOM 123 CD PRO A 574 -3.927 3.587 -0.836 1.00 0.00 C ATOM 0 HA PRO A 574 -7.141 3.609 -1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -6.208 4.399 1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -5.994 2.744 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -3.995 5.050 0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -3.710 3.411 1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -3.073 4.143 -1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -3.667 2.530 -0.883 1.00 0.00 H new ATOM 131 N ARG A 575 -5.989 6.514 -1.514 1.00 0.00 N ATOM 132 CA ARG A 575 -6.384 7.907 -1.799 1.00 0.00 C ATOM 133 C ARG A 575 -7.019 8.103 -3.179 1.00 0.00 C ATOM 134 O ARG A 575 -8.084 8.718 -3.263 1.00 0.00 O ATOM 135 CB ARG A 575 -5.167 8.834 -1.675 1.00 0.00 C ATOM 136 CG ARG A 575 -4.766 9.130 -0.226 1.00 0.00 C ATOM 137 CD ARG A 575 -3.725 10.256 -0.210 1.00 0.00 C ATOM 138 NE ARG A 575 -3.480 10.763 1.152 1.00 0.00 N ATOM 139 CZ ARG A 575 -2.625 11.712 1.487 1.00 0.00 C ATOM 140 NH1 ARG A 575 -1.843 12.280 0.612 1.00 0.00 N ATOM 141 NH2 ARG A 575 -2.534 12.110 2.724 1.00 0.00 N ATOM 0 H ARG A 575 -5.083 6.270 -1.913 1.00 0.00 H new ATOM 0 HA ARG A 575 -7.145 8.157 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 575 -4.321 8.380 -2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 575 -5.384 9.774 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 575 -5.642 9.420 0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 575 -4.357 8.234 0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 575 -2.790 9.891 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 575 -4.066 11.074 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 575 -4.022 10.341 1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 575 -1.880 11.994 -0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 575 -1.194 13.010 0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 575 -3.125 11.688 3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 575 -1.872 12.843 2.976 1.00 0.00 H new ATOM 155 N CYS A 576 -6.372 7.608 -4.240 1.00 0.00 N ATOM 156 CA CYS A 576 -6.725 7.905 -5.640 1.00 0.00 C ATOM 157 C CYS A 576 -7.010 6.663 -6.516 1.00 0.00 C ATOM 158 O CYS A 576 -7.363 6.792 -7.691 1.00 0.00 O ATOM 159 CB CYS A 576 -5.677 8.869 -6.227 1.00 0.00 C ATOM 160 SG CYS A 576 -4.098 8.054 -6.534 1.00 0.00 S ATOM 0 H CYS A 576 -5.574 6.979 -4.152 1.00 0.00 H new ATOM 0 HA CYS A 576 -7.694 8.404 -5.643 1.00 0.00 H new ATOM 0 HB2 CYS A 576 -6.054 9.289 -7.159 1.00 0.00 H new ATOM 0 HB3 CYS A 576 -5.527 9.702 -5.540 1.00 0.00 H new ATOM 165 N GLN A 577 -6.924 5.466 -5.926 1.00 0.00 N ATOM 166 CA GLN A 577 -7.297 4.162 -6.496 1.00 0.00 C ATOM 167 C GLN A 577 -6.523 3.723 -7.758 1.00 0.00 C ATOM 168 O GLN A 577 -6.869 2.713 -8.376 1.00 0.00 O ATOM 169 CB GLN A 577 -8.830 4.046 -6.652 1.00 0.00 C ATOM 170 CG GLN A 577 -9.641 4.228 -5.354 1.00 0.00 C ATOM 171 CD GLN A 577 -9.702 2.961 -4.500 1.00 0.00 C ATOM 172 OE1 GLN A 577 -10.625 2.161 -4.595 1.00 0.00 O ATOM 173 NE2 GLN A 577 -8.739 2.713 -3.638 1.00 0.00 N ATOM 0 H GLN A 577 -6.569 5.374 -4.974 1.00 0.00 H new ATOM 0 HA GLN A 577 -6.967 3.430 -5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 577 -9.162 4.790 -7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 577 -9.063 3.067 -7.072 1.00 0.00 H new ATOM 0 HG2 GLN A 577 -9.199 5.033 -4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 577 -10.655 4.537 -5.607 1.00 0.00 H new ATOM 0 HE21 GLN A 577 -7.960 3.365 -3.542 1.00 0.00 H new ATOM 0 HE22 GLN A 577 -8.771 1.869 -3.066 1.00 0.00 H new ATOM 182 N SER A 578 -5.440 4.416 -8.121 1.00 0.00 N ATOM 183 CA SER A 578 -4.516 3.982 -9.181 1.00 0.00 C ATOM 184 C SER A 578 -3.626 2.818 -8.715 1.00 0.00 C ATOM 185 O SER A 578 -3.355 2.716 -7.514 1.00 0.00 O ATOM 186 CB SER A 578 -3.673 5.171 -9.653 1.00 0.00 C ATOM 187 OG SER A 578 -4.415 5.912 -10.614 1.00 0.00 O ATOM 0 H SER A 578 -5.175 5.300 -7.687 1.00 0.00 H new ATOM 0 HA SER A 578 -5.105 3.613 -10.021 1.00 0.00 H new ATOM 0 HB2 SER A 578 -3.412 5.807 -8.807 1.00 0.00 H new ATOM 0 HB3 SER A 578 -2.738 4.820 -10.089 1.00 0.00 H new ATOM 0 HG SER A 578 -3.803 6.463 -11.146 1.00 0.00 H new ATOM 193 N PRO A 579 -3.167 1.926 -9.619 1.00 0.00 N ATOM 194 CA PRO A 579 -2.337 0.773 -9.268 1.00 0.00 C ATOM 195 C PRO A 579 -0.954 1.226 -8.782 1.00 0.00 C ATOM 196 O PRO A 579 -0.086 1.634 -9.558 1.00 0.00 O ATOM 197 CB PRO A 579 -2.267 -0.096 -10.527 1.00 0.00 C ATOM 198 CG PRO A 579 -2.448 0.921 -11.652 1.00 0.00 C ATOM 199 CD PRO A 579 -3.426 1.929 -11.052 1.00 0.00 C ATOM 0 HA PRO A 579 -2.758 0.201 -8.441 1.00 0.00 H new ATOM 0 HB2 PRO A 579 -1.314 -0.619 -10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 579 -3.049 -0.855 -10.538 1.00 0.00 H new ATOM 0 HG2 PRO A 579 -1.503 1.390 -11.927 1.00 0.00 H new ATOM 0 HG3 PRO A 579 -2.849 0.458 -12.554 1.00 0.00 H new ATOM 0 HD2 PRO A 579 -3.273 2.922 -11.475 1.00 0.00 H new ATOM 0 HD3 PRO A 579 -4.457 1.647 -11.264 1.00 0.00 H new ATOM 207 N ALA A 580 -0.767 1.160 -7.470 1.00 0.00 N ATOM 208 CA ALA A 580 0.439 1.557 -6.755 1.00 0.00 C ATOM 209 C ALA A 580 1.537 0.482 -6.854 1.00 0.00 C ATOM 210 O ALA A 580 1.237 -0.708 -6.988 1.00 0.00 O ATOM 211 CB ALA A 580 0.019 1.801 -5.302 1.00 0.00 C ATOM 0 H ALA A 580 -1.491 0.809 -6.843 1.00 0.00 H new ATOM 0 HA ALA A 580 0.871 2.458 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 580 0.888 2.103 -4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 580 -0.732 2.590 -5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 580 -0.398 0.884 -4.885 1.00 0.00 H new ATOM 217 N LYS A 581 2.811 0.883 -6.731 1.00 0.00 N ATOM 218 CA LYS A 581 3.969 -0.026 -6.687 1.00 0.00 C ATOM 219 C LYS A 581 3.866 -0.921 -5.453 1.00 0.00 C ATOM 220 O LYS A 581 4.016 -0.451 -4.324 1.00 0.00 O ATOM 221 CB LYS A 581 5.282 0.778 -6.691 1.00 0.00 C ATOM 222 CG LYS A 581 6.495 -0.122 -6.971 1.00 0.00 C ATOM 223 CD LYS A 581 7.788 0.703 -7.036 1.00 0.00 C ATOM 224 CE LYS A 581 8.987 -0.215 -7.304 1.00 0.00 C ATOM 225 NZ LYS A 581 10.254 0.556 -7.423 1.00 0.00 N ATOM 0 H LYS A 581 3.072 1.866 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 581 3.970 -0.659 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 581 5.227 1.561 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 581 5.410 1.272 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 581 6.580 -0.877 -6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 581 6.350 -0.652 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 581 7.711 1.453 -7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 581 7.934 1.240 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 581 9.077 -0.941 -6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 581 8.816 -0.778 -8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 581 11.042 -0.098 -7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 581 10.177 1.232 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 581 10.430 1.074 -6.538 1.00 0.00 H new ATOM 239 N TYR A 582 3.574 -2.198 -5.677 1.00 0.00 N ATOM 240 CA TYR A 582 3.272 -3.161 -4.623 1.00 0.00 C ATOM 241 C TYR A 582 4.547 -3.826 -4.085 1.00 0.00 C ATOM 242 O TYR A 582 5.410 -4.253 -4.858 1.00 0.00 O ATOM 243 CB TYR A 582 2.274 -4.185 -5.180 1.00 0.00 C ATOM 244 CG TYR A 582 1.726 -5.212 -4.217 1.00 0.00 C ATOM 245 CD1 TYR A 582 1.484 -4.900 -2.866 1.00 0.00 C ATOM 246 CD2 TYR A 582 1.430 -6.495 -4.706 1.00 0.00 C ATOM 247 CE1 TYR A 582 0.990 -5.886 -1.994 1.00 0.00 C ATOM 248 CE2 TYR A 582 0.922 -7.482 -3.838 1.00 0.00 C ATOM 249 CZ TYR A 582 0.694 -7.178 -2.480 1.00 0.00 C ATOM 250 OH TYR A 582 0.193 -8.130 -1.646 1.00 0.00 O ATOM 0 H TYR A 582 3.540 -2.600 -6.614 1.00 0.00 H new ATOM 0 HA TYR A 582 2.823 -2.650 -3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 582 1.432 -3.639 -5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 582 2.757 -4.716 -6.000 1.00 0.00 H new ATOM 0 HD1 TYR A 582 1.678 -3.903 -2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 582 1.592 -6.725 -5.749 1.00 0.00 H new ATOM 0 HE1 TYR A 582 0.837 -5.655 -0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 582 0.707 -8.472 -4.213 1.00 0.00 H new ATOM 0 HH TYR A 582 0.047 -8.960 -2.147 1.00 0.00 H new ATOM 260 N GLN A 583 4.662 -3.916 -2.759 1.00 0.00 N ATOM 261 CA GLN A 583 5.828 -4.440 -2.044 1.00 0.00 C ATOM 262 C GLN A 583 5.380 -5.520 -1.027 1.00 0.00 C ATOM 263 O GLN A 583 5.407 -5.282 0.185 1.00 0.00 O ATOM 264 CB GLN A 583 6.608 -3.272 -1.392 1.00 0.00 C ATOM 265 CG GLN A 583 6.710 -1.972 -2.226 1.00 0.00 C ATOM 266 CD GLN A 583 7.662 -0.931 -1.638 1.00 0.00 C ATOM 267 OE1 GLN A 583 8.222 -1.059 -0.557 1.00 0.00 O ATOM 268 NE2 GLN A 583 7.881 0.164 -2.335 1.00 0.00 N ATOM 0 H GLN A 583 3.918 -3.615 -2.130 1.00 0.00 H new ATOM 0 HA GLN A 583 6.512 -4.929 -2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 583 6.135 -3.033 -0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 583 7.618 -3.616 -1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 583 7.040 -2.224 -3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 583 5.717 -1.532 -2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 583 7.426 0.293 -3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 583 8.506 0.883 -1.972 1.00 0.00 H new ATOM 277 N PRO A 584 4.915 -6.703 -1.483 1.00 0.00 N ATOM 278 CA PRO A 584 4.328 -7.745 -0.624 1.00 0.00 C ATOM 279 C PRO A 584 5.292 -8.316 0.430 1.00 0.00 C ATOM 280 O PRO A 584 4.855 -8.758 1.494 1.00 0.00 O ATOM 281 CB PRO A 584 3.856 -8.848 -1.582 1.00 0.00 C ATOM 282 CG PRO A 584 4.677 -8.629 -2.851 1.00 0.00 C ATOM 283 CD PRO A 584 4.878 -7.121 -2.878 1.00 0.00 C ATOM 0 HA PRO A 584 3.518 -7.314 -0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 584 4.030 -9.839 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 584 2.787 -8.770 -1.782 1.00 0.00 H new ATOM 0 HG2 PRO A 584 5.627 -9.161 -2.813 1.00 0.00 H new ATOM 0 HG3 PRO A 584 4.150 -8.981 -3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 584 5.804 -6.859 -3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 584 4.067 -6.627 -3.413 1.00 0.00 H new ATOM 291 N HIS A 585 6.600 -8.259 0.167 1.00 0.00 N ATOM 292 CA HIS A 585 7.685 -8.635 1.084 1.00 0.00 C ATOM 293 C HIS A 585 7.910 -7.626 2.224 1.00 0.00 C ATOM 294 O HIS A 585 8.442 -7.993 3.274 1.00 0.00 O ATOM 295 CB HIS A 585 8.970 -8.825 0.258 1.00 0.00 C ATOM 296 CG HIS A 585 9.466 -7.593 -0.475 1.00 0.00 C ATOM 297 ND1 HIS A 585 8.677 -6.679 -1.187 1.00 0.00 N ATOM 298 CD2 HIS A 585 10.775 -7.236 -0.609 1.00 0.00 C ATOM 299 CE1 HIS A 585 9.534 -5.797 -1.732 1.00 0.00 C ATOM 300 NE2 HIS A 585 10.798 -6.106 -1.400 1.00 0.00 N ATOM 0 H HIS A 585 6.951 -7.934 -0.734 1.00 0.00 H new ATOM 0 HA HIS A 585 7.399 -9.563 1.579 1.00 0.00 H new ATOM 0 HB2 HIS A 585 9.760 -9.173 0.923 1.00 0.00 H new ATOM 0 HB3 HIS A 585 8.798 -9.616 -0.472 1.00 0.00 H new ATOM 0 HD2 HIS A 585 11.628 -7.740 -0.179 1.00 0.00 H new ATOM 0 HE1 HIS A 585 9.246 -4.959 -2.349 1.00 0.00 H new ATOM 0 HE2 HIS A 585 11.632 -5.593 -1.684 1.00 0.00 H new ATOM 308 N LYS A 586 7.472 -6.372 2.039 1.00 0.00 N ATOM 309 CA LYS A 586 7.514 -5.272 3.026 1.00 0.00 C ATOM 310 C LYS A 586 6.122 -4.861 3.536 1.00 0.00 C ATOM 311 O LYS A 586 6.013 -3.919 4.322 1.00 0.00 O ATOM 312 CB LYS A 586 8.261 -4.074 2.409 1.00 0.00 C ATOM 313 CG LYS A 586 9.736 -4.394 2.122 1.00 0.00 C ATOM 314 CD LYS A 586 10.459 -3.165 1.554 1.00 0.00 C ATOM 315 CE LYS A 586 11.931 -3.452 1.221 1.00 0.00 C ATOM 316 NZ LYS A 586 12.763 -3.659 2.438 1.00 0.00 N ATOM 0 H LYS A 586 7.057 -6.078 1.155 1.00 0.00 H new ATOM 0 HA LYS A 586 8.049 -5.631 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 586 7.768 -3.779 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 586 8.201 -3.223 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 586 10.227 -4.719 3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 586 9.803 -5.220 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 586 9.945 -2.829 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 586 10.405 -2.350 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 586 11.991 -4.338 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 586 12.338 -2.621 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 13.746 -3.849 2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 12.730 -2.805 3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 12.394 -4.468 2.977 1.00 0.00 H new ATOM 330 N LYS A 587 5.060 -5.529 3.056 1.00 0.00 N ATOM 331 CA LYS A 587 3.634 -5.178 3.233 1.00 0.00 C ATOM 332 C LYS A 587 3.335 -3.691 2.992 1.00 0.00 C ATOM 333 O LYS A 587 2.527 -3.071 3.686 1.00 0.00 O ATOM 334 CB LYS A 587 3.102 -5.728 4.575 1.00 0.00 C ATOM 335 CG LYS A 587 3.069 -7.266 4.633 1.00 0.00 C ATOM 336 CD LYS A 587 2.133 -7.880 3.574 1.00 0.00 C ATOM 337 CE LYS A 587 1.946 -9.391 3.732 1.00 0.00 C ATOM 338 NZ LYS A 587 3.215 -10.133 3.490 1.00 0.00 N ATOM 0 H LYS A 587 5.176 -6.377 2.502 1.00 0.00 H new ATOM 0 HA LYS A 587 3.069 -5.677 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 587 3.727 -5.354 5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 587 2.096 -5.343 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 587 4.078 -7.653 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 587 2.745 -7.581 5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 587 1.160 -7.393 3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 587 2.533 -7.673 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 587 1.583 -9.609 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 587 1.183 -9.738 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 587 2.998 -11.088 3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 587 3.784 -9.626 2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 587 3.750 -10.205 4.379 1.00 0.00 H new ATOM 352 N ARG A 588 3.991 -3.129 1.975 1.00 0.00 N ATOM 353 CA ARG A 588 3.987 -1.699 1.643 1.00 0.00 C ATOM 354 C ARG A 588 3.468 -1.467 0.225 1.00 0.00 C ATOM 355 O ARG A 588 3.626 -2.321 -0.648 1.00 0.00 O ATOM 356 CB ARG A 588 5.409 -1.163 1.875 1.00 0.00 C ATOM 357 CG ARG A 588 5.519 0.360 1.904 1.00 0.00 C ATOM 358 CD ARG A 588 6.937 0.751 2.325 1.00 0.00 C ATOM 359 NE ARG A 588 7.140 2.204 2.231 1.00 0.00 N ATOM 360 CZ ARG A 588 8.259 2.840 1.948 1.00 0.00 C ATOM 361 NH1 ARG A 588 9.340 2.221 1.564 1.00 0.00 N ATOM 362 NH2 ARG A 588 8.309 4.134 2.055 1.00 0.00 N ATOM 0 H ARG A 588 4.563 -3.678 1.333 1.00 0.00 H new ATOM 0 HA ARG A 588 3.301 -1.147 2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 588 5.782 -1.559 2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 588 6.060 -1.546 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.291 0.772 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.791 0.776 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 588 7.119 0.422 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 588 7.661 0.239 1.692 1.00 0.00 H new ATOM 0 HE ARG A 588 6.321 2.787 2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 588 9.341 1.205 1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 588 10.185 2.753 1.355 1.00 0.00 H new ATOM 0 HH21 ARG A 588 7.484 4.653 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 588 9.173 4.631 1.837 1.00 0.00 H new ATOM 376 N GLY A 589 2.847 -0.320 -0.013 1.00 0.00 N ATOM 377 CA GLY A 589 2.422 0.119 -1.339 1.00 0.00 C ATOM 378 C GLY A 589 2.690 1.615 -1.519 1.00 0.00 C ATOM 379 O GLY A 589 2.400 2.402 -0.615 1.00 0.00 O ATOM 0 H GLY A 589 2.619 0.347 0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 589 2.954 -0.447 -2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 589 1.360 -0.085 -1.473 1.00 0.00 H new ATOM 383 N LEU A 590 3.274 1.998 -2.661 1.00 0.00 N ATOM 384 CA LEU A 590 3.613 3.390 -2.991 1.00 0.00 C ATOM 385 C LEU A 590 2.880 3.872 -4.244 1.00 0.00 C ATOM 386 O LEU A 590 3.025 3.277 -5.313 1.00 0.00 O ATOM 387 CB LEU A 590 5.132 3.570 -3.168 1.00 0.00 C ATOM 388 CG LEU A 590 5.975 3.369 -1.899 1.00 0.00 C ATOM 389 CD1 LEU A 590 7.431 3.742 -2.187 1.00 0.00 C ATOM 390 CD2 LEU A 590 5.463 4.222 -0.742 1.00 0.00 C ATOM 0 H LEU A 590 3.529 1.338 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 590 3.285 4.000 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 590 5.477 2.868 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 590 5.319 4.573 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 590 5.899 2.320 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 590 8.028 3.599 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 590 7.818 3.107 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 590 7.485 4.786 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 590 6.084 4.053 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 590 5.506 5.275 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 590 4.432 3.948 -0.516 1.00 0.00 H new ATOM 402 N CYS A 591 2.113 4.957 -4.120 1.00 0.00 N ATOM 403 CA CYS A 591 1.270 5.468 -5.197 1.00 0.00 C ATOM 404 C CYS A 591 2.060 5.794 -6.482 1.00 0.00 C ATOM 405 O CYS A 591 3.179 6.322 -6.452 1.00 0.00 O ATOM 406 CB CYS A 591 0.495 6.680 -4.689 1.00 0.00 C ATOM 407 SG CYS A 591 -0.713 7.151 -5.945 1.00 0.00 S ATOM 0 H CYS A 591 2.061 5.508 -3.263 1.00 0.00 H new ATOM 0 HA CYS A 591 0.572 4.681 -5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 591 -0.006 6.443 -3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 591 1.175 7.508 -4.487 1.00 0.00 H new ATOM 412 N SER A 592 1.439 5.484 -7.617 1.00 0.00 N ATOM 413 CA SER A 592 1.938 5.728 -8.971 1.00 0.00 C ATOM 414 C SER A 592 1.643 7.143 -9.495 1.00 0.00 C ATOM 415 O SER A 592 2.216 7.550 -10.512 1.00 0.00 O ATOM 416 CB SER A 592 1.349 4.659 -9.895 1.00 0.00 C ATOM 417 OG SER A 592 -0.066 4.618 -9.805 1.00 0.00 O ATOM 0 H SER A 592 0.525 5.031 -7.619 1.00 0.00 H new ATOM 0 HA SER A 592 3.026 5.662 -8.948 1.00 0.00 H new ATOM 0 HB2 SER A 592 1.644 4.864 -10.924 1.00 0.00 H new ATOM 0 HB3 SER A 592 1.760 3.684 -9.634 1.00 0.00 H new ATOM 0 HG SER A 592 -0.361 3.688 -9.712 1.00 0.00 H new ATOM 423 N ARG A 593 0.792 7.920 -8.807 1.00 0.00 N ATOM 424 CA ARG A 593 0.431 9.305 -9.136 1.00 0.00 C ATOM 425 C ARG A 593 1.301 10.295 -8.353 1.00 0.00 C ATOM 426 O ARG A 593 1.253 10.345 -7.124 1.00 0.00 O ATOM 427 CB ARG A 593 -1.080 9.457 -8.892 1.00 0.00 C ATOM 428 CG ARG A 593 -1.570 10.908 -8.999 1.00 0.00 C ATOM 429 CD ARG A 593 -3.101 11.032 -8.963 1.00 0.00 C ATOM 430 NE ARG A 593 -3.718 10.554 -10.216 1.00 0.00 N ATOM 431 CZ ARG A 593 -4.271 9.375 -10.438 1.00 0.00 C ATOM 432 NH1 ARG A 593 -4.484 8.495 -9.508 1.00 0.00 N ATOM 433 NH2 ARG A 593 -4.618 9.024 -11.642 1.00 0.00 N ATOM 0 H ARG A 593 0.317 7.584 -7.970 1.00 0.00 H new ATOM 0 HA ARG A 593 0.629 9.537 -10.182 1.00 0.00 H new ATOM 0 HB2 ARG A 593 -1.621 8.844 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 593 -1.322 9.071 -7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 593 -1.145 11.490 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 593 -1.198 11.343 -9.927 1.00 0.00 H new ATOM 0 HD2 ARG A 593 -3.493 10.459 -8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 593 -3.378 12.073 -8.795 1.00 0.00 H new ATOM 0 HE ARG A 593 -3.717 11.208 -10.999 1.00 0.00 H new ATOM 0 HH11 ARG A 593 -4.220 8.698 -8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 593 -4.915 7.601 -9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 593 -4.464 9.661 -12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 593 -5.044 8.112 -11.804 1.00 0.00 H new ATOM 447 N LEU A 594 2.065 11.128 -9.065 1.00 0.00 N ATOM 448 CA LEU A 594 3.049 12.052 -8.472 1.00 0.00 C ATOM 449 C LEU A 594 2.411 13.193 -7.651 1.00 0.00 C ATOM 450 O LEU A 594 3.026 13.691 -6.708 1.00 0.00 O ATOM 451 CB LEU A 594 3.955 12.618 -9.584 1.00 0.00 C ATOM 452 CG LEU A 594 4.766 11.574 -10.379 1.00 0.00 C ATOM 453 CD1 LEU A 594 5.603 12.281 -11.447 1.00 0.00 C ATOM 454 CD2 LEU A 594 5.713 10.760 -9.493 1.00 0.00 C ATOM 0 H LEU A 594 2.021 11.184 -10.082 1.00 0.00 H new ATOM 0 HA LEU A 594 3.642 11.476 -7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 594 3.335 13.179 -10.283 1.00 0.00 H new ATOM 0 HB3 LEU A 594 4.651 13.327 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 594 4.045 10.889 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 594 6.176 11.543 -12.008 1.00 0.00 H new ATOM 0 HD12 LEU A 594 4.944 12.822 -12.126 1.00 0.00 H new ATOM 0 HD13 LEU A 594 6.286 12.983 -10.968 1.00 0.00 H new ATOM 0 HD21 LEU A 594 6.257 10.042 -10.106 1.00 0.00 H new ATOM 0 HD22 LEU A 594 6.421 11.430 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 594 5.136 10.228 -8.736 1.00 0.00 H new ATOM 466 N ALA A 595 1.169 13.576 -7.970 1.00 0.00 N ATOM 467 CA ALA A 595 0.384 14.563 -7.217 1.00 0.00 C ATOM 468 C ALA A 595 -0.223 14.014 -5.900 1.00 0.00 C ATOM 469 O ALA A 595 -0.758 14.785 -5.097 1.00 0.00 O ATOM 470 CB ALA A 595 -0.701 15.107 -8.157 1.00 0.00 C ATOM 0 H ALA A 595 0.670 13.200 -8.777 1.00 0.00 H new ATOM 0 HA ALA A 595 1.053 15.359 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 595 -1.304 15.845 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 595 -0.232 15.575 -9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 595 -1.339 14.288 -8.489 1.00 0.00 H new ATOM 476 N CYS A 596 -0.144 12.695 -5.683 1.00 0.00 N ATOM 477 CA CYS A 596 -0.703 11.955 -4.551 1.00 0.00 C ATOM 478 C CYS A 596 0.424 11.416 -3.647 1.00 0.00 C ATOM 479 O CYS A 596 0.538 11.817 -2.485 1.00 0.00 O ATOM 480 CB CYS A 596 -1.579 10.863 -5.171 1.00 0.00 C ATOM 481 SG CYS A 596 -2.250 9.668 -3.961 1.00 0.00 S ATOM 0 H CYS A 596 0.343 12.080 -6.335 1.00 0.00 H new ATOM 0 HA CYS A 596 -1.307 12.577 -3.890 1.00 0.00 H new ATOM 0 HB2 CYS A 596 -2.408 11.334 -5.699 1.00 0.00 H new ATOM 0 HB3 CYS A 596 -0.994 10.321 -5.914 1.00 0.00 H new ATOM 486 N GLY A 597 1.298 10.578 -4.219 1.00 0.00 N ATOM 487 CA GLY A 597 2.557 10.115 -3.620 1.00 0.00 C ATOM 488 C GLY A 597 2.397 9.520 -2.214 1.00 0.00 C ATOM 489 O GLY A 597 3.059 9.962 -1.271 1.00 0.00 O ATOM 0 H GLY A 597 1.141 10.188 -5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 597 3.004 9.365 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 597 3.254 10.952 -3.572 1.00 0.00 H new ATOM 493 N PHE A 598 1.484 8.556 -2.060 1.00 0.00 N ATOM 494 CA PHE A 598 1.039 8.021 -0.775 1.00 0.00 C ATOM 495 C PHE A 598 1.776 6.728 -0.418 1.00 0.00 C ATOM 496 O PHE A 598 2.168 5.964 -1.302 1.00 0.00 O ATOM 497 CB PHE A 598 -0.491 7.851 -0.779 1.00 0.00 C ATOM 498 CG PHE A 598 -1.074 7.640 0.610 1.00 0.00 C ATOM 499 CD1 PHE A 598 -1.010 8.668 1.571 1.00 0.00 C ATOM 500 CD2 PHE A 598 -1.669 6.416 0.955 1.00 0.00 C ATOM 501 CE1 PHE A 598 -1.566 8.486 2.852 1.00 0.00 C ATOM 502 CE2 PHE A 598 -2.225 6.235 2.237 1.00 0.00 C ATOM 503 CZ PHE A 598 -2.192 7.271 3.180 1.00 0.00 C ATOM 0 H PHE A 598 1.021 8.114 -2.854 1.00 0.00 H new ATOM 0 HA PHE A 598 1.291 8.734 0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 598 -0.947 8.734 -1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 598 -0.754 7.002 -1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 598 -0.531 9.604 1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 598 -1.701 5.611 0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 598 -1.511 9.280 3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 598 -2.680 5.290 2.495 1.00 0.00 H new ATOM 0 HZ PHE A 598 -2.644 7.137 4.152 1.00 0.00 H new ATOM 513 N ASP A 599 1.959 6.492 0.879 1.00 0.00 N ATOM 514 CA ASP A 599 2.720 5.375 1.440 1.00 0.00 C ATOM 515 C ASP A 599 1.831 4.608 2.423 1.00 0.00 C ATOM 516 O ASP A 599 1.533 5.106 3.514 1.00 0.00 O ATOM 517 CB ASP A 599 3.991 5.948 2.090 1.00 0.00 C ATOM 518 CG ASP A 599 4.969 4.895 2.627 1.00 0.00 C ATOM 519 OD1 ASP A 599 4.729 3.675 2.498 1.00 0.00 O ATOM 520 OD2 ASP A 599 6.043 5.294 3.134 1.00 0.00 O ATOM 0 H ASP A 599 1.565 7.098 1.599 1.00 0.00 H new ATOM 0 HA ASP A 599 3.028 4.662 0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.510 6.566 1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 599 3.699 6.604 2.910 1.00 0.00 H new ATOM 525 N PHE A 600 1.359 3.425 2.018 1.00 0.00 N ATOM 526 CA PHE A 600 0.314 2.686 2.727 1.00 0.00 C ATOM 527 C PHE A 600 0.661 1.243 3.099 1.00 0.00 C ATOM 528 O PHE A 600 1.468 0.571 2.450 1.00 0.00 O ATOM 529 CB PHE A 600 -0.998 2.760 1.936 1.00 0.00 C ATOM 530 CG PHE A 600 -1.046 2.050 0.597 1.00 0.00 C ATOM 531 CD1 PHE A 600 -0.676 2.728 -0.580 1.00 0.00 C ATOM 532 CD2 PHE A 600 -1.562 0.744 0.513 1.00 0.00 C ATOM 533 CE1 PHE A 600 -0.829 2.105 -1.830 1.00 0.00 C ATOM 534 CE2 PHE A 600 -1.719 0.120 -0.736 1.00 0.00 C ATOM 535 CZ PHE A 600 -1.357 0.803 -1.911 1.00 0.00 C ATOM 0 H PHE A 600 1.696 2.950 1.180 1.00 0.00 H new ATOM 0 HA PHE A 600 0.205 3.182 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 600 -1.792 2.353 2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 600 -1.232 3.811 1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 600 -0.274 3.729 -0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 600 -1.839 0.218 1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 600 -0.541 2.626 -2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 600 -2.117 -0.882 -0.794 1.00 0.00 H new ATOM 0 HZ PHE A 600 -1.484 0.329 -2.873 1.00 0.00 H new ATOM 545 N CYS A 601 -0.007 0.776 4.155 1.00 0.00 N ATOM 546 CA CYS A 601 -0.044 -0.609 4.592 1.00 0.00 C ATOM 547 C CYS A 601 -1.012 -1.405 3.702 1.00 0.00 C ATOM 548 O CYS A 601 -2.194 -1.068 3.582 1.00 0.00 O ATOM 549 CB CYS A 601 -0.484 -0.615 6.056 1.00 0.00 C ATOM 550 SG CYS A 601 -0.666 -2.342 6.618 1.00 0.00 S ATOM 0 H CYS A 601 -0.562 1.388 4.754 1.00 0.00 H new ATOM 0 HA CYS A 601 0.934 -1.082 4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 601 0.250 -0.095 6.671 1.00 0.00 H new ATOM 0 HB3 CYS A 601 -1.428 -0.082 6.167 1.00 0.00 H new ATOM 555 N VAL A 602 -0.524 -2.477 3.079 1.00 0.00 N ATOM 556 CA VAL A 602 -1.310 -3.283 2.121 1.00 0.00 C ATOM 557 C VAL A 602 -2.279 -4.261 2.793 1.00 0.00 C ATOM 558 O VAL A 602 -3.055 -4.920 2.096 1.00 0.00 O ATOM 559 CB VAL A 602 -0.398 -4.015 1.122 1.00 0.00 C ATOM 560 CG1 VAL A 602 0.497 -3.016 0.386 1.00 0.00 C ATOM 561 CG2 VAL A 602 0.435 -5.111 1.798 1.00 0.00 C ATOM 0 H VAL A 602 0.427 -2.819 3.218 1.00 0.00 H new ATOM 0 HA VAL A 602 -1.927 -2.570 1.573 1.00 0.00 H new ATOM 0 HB VAL A 602 -1.039 -4.511 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.136 -3.550 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 602 -0.123 -2.303 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 602 1.117 -2.483 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 602 1.064 -5.601 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 602 1.064 -4.666 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 602 -0.230 -5.846 2.252 1.00 0.00 H new ATOM 571 N LEU A 603 -2.240 -4.372 4.124 1.00 0.00 N ATOM 572 CA LEU A 603 -3.087 -5.275 4.912 1.00 0.00 C ATOM 573 C LEU A 603 -4.344 -4.580 5.476 1.00 0.00 C ATOM 574 O LEU A 603 -5.383 -5.233 5.604 1.00 0.00 O ATOM 575 CB LEU A 603 -2.250 -5.885 6.046 1.00 0.00 C ATOM 576 CG LEU A 603 -1.105 -6.810 5.593 1.00 0.00 C ATOM 577 CD1 LEU A 603 -0.340 -7.320 6.813 1.00 0.00 C ATOM 578 CD2 LEU A 603 -1.609 -8.025 4.808 1.00 0.00 C ATOM 0 H LEU A 603 -1.602 -3.822 4.699 1.00 0.00 H new ATOM 0 HA LEU A 603 -3.448 -6.059 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 603 -1.827 -5.075 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 603 -2.913 -6.449 6.702 1.00 0.00 H new ATOM 0 HG LEU A 603 -0.462 -6.218 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 603 0.469 -7.974 6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 603 0.075 -6.475 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 603 -1.018 -7.876 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 603 -0.762 -8.644 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 603 -2.284 -8.608 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 603 -2.140 -7.688 3.918 1.00 0.00 H new ATOM 590 N CYS A 604 -4.263 -3.277 5.789 1.00 0.00 N ATOM 591 CA CYS A 604 -5.363 -2.477 6.359 1.00 0.00 C ATOM 592 C CYS A 604 -5.680 -1.149 5.626 1.00 0.00 C ATOM 593 O CYS A 604 -6.623 -0.443 5.998 1.00 0.00 O ATOM 594 CB CYS A 604 -5.149 -2.303 7.871 1.00 0.00 C ATOM 595 SG CYS A 604 -3.646 -1.391 8.310 1.00 0.00 S ATOM 0 H CYS A 604 -3.410 -2.735 5.650 1.00 0.00 H new ATOM 0 HA CYS A 604 -6.275 -3.050 6.192 1.00 0.00 H new ATOM 0 HB2 CYS A 604 -6.011 -1.784 8.291 1.00 0.00 H new ATOM 0 HB3 CYS A 604 -5.112 -3.288 8.337 1.00 0.00 H new ATOM 600 N LEU A 605 -4.947 -0.841 4.549 1.00 0.00 N ATOM 601 CA LEU A 605 -5.163 0.298 3.636 1.00 0.00 C ATOM 602 C LEU A 605 -5.176 1.683 4.323 1.00 0.00 C ATOM 603 O LEU A 605 -5.839 2.619 3.873 1.00 0.00 O ATOM 604 CB LEU A 605 -6.368 0.024 2.708 1.00 0.00 C ATOM 605 CG LEU A 605 -6.159 -1.124 1.702 1.00 0.00 C ATOM 606 CD1 LEU A 605 -7.451 -1.357 0.917 1.00 0.00 C ATOM 607 CD2 LEU A 605 -5.048 -0.816 0.692 1.00 0.00 C ATOM 0 H LEU A 605 -4.144 -1.407 4.273 1.00 0.00 H new ATOM 0 HA LEU A 605 -4.281 0.371 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 605 -7.238 -0.204 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 605 -6.598 0.935 2.156 1.00 0.00 H new ATOM 0 HG LEU A 605 -5.876 -2.005 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 605 -7.303 -2.169 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 605 -8.253 -1.620 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 605 -7.719 -0.448 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 605 -4.939 -1.655 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 605 -5.305 0.082 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 605 -4.109 -0.656 1.222 1.00 0.00 H new ATOM 619 N CYS A 606 -4.397 1.817 5.398 1.00 0.00 N ATOM 620 CA CYS A 606 -4.092 3.083 6.074 1.00 0.00 C ATOM 621 C CYS A 606 -2.649 3.515 5.771 1.00 0.00 C ATOM 622 O CYS A 606 -1.881 2.762 5.162 1.00 0.00 O ATOM 623 CB CYS A 606 -4.340 2.911 7.582 1.00 0.00 C ATOM 624 SG CYS A 606 -6.087 2.527 7.908 1.00 0.00 S ATOM 0 H CYS A 606 -3.943 1.017 5.840 1.00 0.00 H new ATOM 0 HA CYS A 606 -4.743 3.875 5.705 1.00 0.00 H new ATOM 0 HB2 CYS A 606 -3.709 2.112 7.970 1.00 0.00 H new ATOM 0 HB3 CYS A 606 -4.059 3.823 8.108 1.00 0.00 H new ATOM 0 HG CYS A 606 -6.423 1.451 7.261 1.00 0.00 H new ATOM 630 N ALA A 607 -2.256 4.712 6.215 1.00 0.00 N ATOM 631 CA ALA A 607 -0.867 5.170 6.129 1.00 0.00 C ATOM 632 C ALA A 607 0.092 4.144 6.772 1.00 0.00 C ATOM 633 O ALA A 607 -0.207 3.578 7.831 1.00 0.00 O ATOM 634 CB ALA A 607 -0.746 6.550 6.785 1.00 0.00 C ATOM 0 H ALA A 607 -2.889 5.388 6.642 1.00 0.00 H new ATOM 0 HA ALA A 607 -0.579 5.259 5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 607 0.287 6.893 6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 607 -1.395 7.257 6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 607 -1.043 6.483 7.832 1.00 0.00 H new ATOM 640 N TYR A 608 1.224 3.883 6.116 1.00 0.00 N ATOM 641 CA TYR A 608 2.150 2.806 6.473 1.00 0.00 C ATOM 642 C TYR A 608 2.667 2.946 7.914 1.00 0.00 C ATOM 643 O TYR A 608 3.177 4.002 8.302 1.00 0.00 O ATOM 644 CB TYR A 608 3.294 2.791 5.459 1.00 0.00 C ATOM 645 CG TYR A 608 4.267 1.641 5.614 1.00 0.00 C ATOM 646 CD1 TYR A 608 3.865 0.337 5.266 1.00 0.00 C ATOM 647 CD2 TYR A 608 5.591 1.887 6.026 1.00 0.00 C ATOM 648 CE1 TYR A 608 4.808 -0.706 5.248 1.00 0.00 C ATOM 649 CE2 TYR A 608 6.536 0.844 6.012 1.00 0.00 C ATOM 650 CZ TYR A 608 6.154 -0.441 5.574 1.00 0.00 C ATOM 651 OH TYR A 608 7.102 -1.386 5.350 1.00 0.00 O ATOM 0 H TYR A 608 1.529 4.424 5.307 1.00 0.00 H new ATOM 0 HA TYR A 608 1.622 1.853 6.438 1.00 0.00 H new ATOM 0 HB2 TYR A 608 2.870 2.757 4.455 1.00 0.00 H new ATOM 0 HB3 TYR A 608 3.845 3.728 5.541 1.00 0.00 H new ATOM 0 HD1 TYR A 608 2.834 0.138 5.013 1.00 0.00 H new ATOM 0 HD2 TYR A 608 5.881 2.875 6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 608 4.502 -1.708 4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 608 7.550 1.027 6.336 1.00 0.00 H new ATOM 0 HH TYR A 608 6.678 -2.201 5.008 1.00 0.00 H new ATOM 661 N HIS A 609 2.529 1.874 8.701 1.00 0.00 N ATOM 662 CA HIS A 609 2.739 1.886 10.155 1.00 0.00 C ATOM 663 C HIS A 609 3.864 0.960 10.662 1.00 0.00 C ATOM 664 O HIS A 609 3.951 0.669 11.858 1.00 0.00 O ATOM 665 CB HIS A 609 1.385 1.685 10.857 1.00 0.00 C ATOM 666 CG HIS A 609 0.722 0.367 10.549 1.00 0.00 C ATOM 667 ND1 HIS A 609 1.096 -0.859 11.039 1.00 0.00 N ATOM 668 CD2 HIS A 609 -0.363 0.162 9.740 1.00 0.00 C ATOM 669 CE1 HIS A 609 0.261 -1.784 10.555 1.00 0.00 C ATOM 670 NE2 HIS A 609 -0.655 -1.216 9.738 1.00 0.00 N ATOM 0 H HIS A 609 2.264 0.957 8.341 1.00 0.00 H new ATOM 0 HA HIS A 609 3.129 2.867 10.427 1.00 0.00 H new ATOM 0 HB2 HIS A 609 1.531 1.763 11.934 1.00 0.00 H new ATOM 0 HB3 HIS A 609 0.714 2.494 10.567 1.00 0.00 H new ATOM 0 HD1 HIS A 609 1.880 -1.035 11.667 1.00 0.00 H new ATOM 0 HD2 HIS A 609 -0.902 0.925 9.197 1.00 0.00 H new ATOM 0 HE1 HIS A 609 0.311 -2.838 10.784 1.00 0.00 H new ATOM 678 N GLY A 610 4.744 0.513 9.761 1.00 0.00 N ATOM 679 CA GLY A 610 5.989 -0.197 10.087 1.00 0.00 C ATOM 680 C GLY A 610 5.800 -1.419 10.998 1.00 0.00 C ATOM 681 O GLY A 610 5.181 -2.411 10.604 1.00 0.00 O ATOM 0 H GLY A 610 4.608 0.637 8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 610 6.463 -0.519 9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 610 6.675 0.499 10.570 1.00 0.00 H new ATOM 685 N SER A 611 6.353 -1.346 12.212 1.00 0.00 N ATOM 686 CA SER A 611 6.337 -2.419 13.227 1.00 0.00 C ATOM 687 C SER A 611 5.093 -2.440 14.135 1.00 0.00 C ATOM 688 O SER A 611 4.923 -3.383 14.913 1.00 0.00 O ATOM 689 CB SER A 611 7.614 -2.326 14.074 1.00 0.00 C ATOM 690 OG SER A 611 7.729 -1.045 14.679 1.00 0.00 O ATOM 0 H SER A 611 6.843 -0.511 12.533 1.00 0.00 H new ATOM 0 HA SER A 611 6.294 -3.358 12.676 1.00 0.00 H new ATOM 0 HB2 SER A 611 7.601 -3.097 14.845 1.00 0.00 H new ATOM 0 HB3 SER A 611 8.485 -2.516 13.448 1.00 0.00 H new ATOM 0 HG SER A 611 8.549 -1.009 15.215 1.00 0.00 H new ATOM 696 N GLU A 612 4.203 -1.444 14.051 1.00 0.00 N ATOM 697 CA GLU A 612 2.914 -1.439 14.768 1.00 0.00 C ATOM 698 C GLU A 612 1.896 -2.399 14.116 1.00 0.00 C ATOM 699 O GLU A 612 2.053 -2.789 12.956 1.00 0.00 O ATOM 700 CB GLU A 612 2.340 -0.013 14.853 1.00 0.00 C ATOM 701 CG GLU A 612 3.264 0.956 15.605 1.00 0.00 C ATOM 702 CD GLU A 612 2.583 2.323 15.813 1.00 0.00 C ATOM 703 OE1 GLU A 612 1.840 2.490 16.811 1.00 0.00 O ATOM 704 OE2 GLU A 612 2.795 3.250 14.992 1.00 0.00 O ATOM 0 H GLU A 612 4.354 -0.612 13.481 1.00 0.00 H new ATOM 0 HA GLU A 612 3.102 -1.796 15.781 1.00 0.00 H new ATOM 0 HB2 GLU A 612 2.167 0.365 13.845 1.00 0.00 H new ATOM 0 HB3 GLU A 612 1.371 -0.045 15.352 1.00 0.00 H new ATOM 0 HG2 GLU A 612 3.534 0.530 16.571 1.00 0.00 H new ATOM 0 HG3 GLU A 612 4.190 1.089 15.045 1.00 0.00 H new ATOM 711 N ASP A 613 0.835 -2.780 14.838 1.00 0.00 N ATOM 712 CA ASP A 613 -0.223 -3.658 14.310 1.00 0.00 C ATOM 713 C ASP A 613 -1.250 -2.915 13.427 1.00 0.00 C ATOM 714 O ASP A 613 -1.451 -1.701 13.542 1.00 0.00 O ATOM 715 CB ASP A 613 -0.918 -4.413 15.456 1.00 0.00 C ATOM 716 CG ASP A 613 -1.812 -5.562 14.958 1.00 0.00 C ATOM 717 OD1 ASP A 613 -1.434 -6.242 13.976 1.00 0.00 O ATOM 718 OD2 ASP A 613 -2.899 -5.806 15.530 1.00 0.00 O ATOM 0 H ASP A 613 0.683 -2.490 15.804 1.00 0.00 H new ATOM 0 HA ASP A 613 0.267 -4.379 13.656 1.00 0.00 H new ATOM 0 HB2 ASP A 613 -0.162 -4.814 16.132 1.00 0.00 H new ATOM 0 HB3 ASP A 613 -1.522 -3.713 16.033 1.00 0.00 H new ATOM 723 N CYS A 614 -1.920 -3.677 12.561 1.00 0.00 N ATOM 724 CA CYS A 614 -3.022 -3.234 11.707 1.00 0.00 C ATOM 725 C CYS A 614 -4.324 -2.962 12.491 1.00 0.00 C ATOM 726 O CYS A 614 -4.429 -3.207 13.696 1.00 0.00 O ATOM 727 CB CYS A 614 -3.235 -4.294 10.610 1.00 0.00 C ATOM 728 SG CYS A 614 -1.854 -4.294 9.432 1.00 0.00 S ATOM 0 H CYS A 614 -1.699 -4.664 12.430 1.00 0.00 H new ATOM 0 HA CYS A 614 -2.754 -2.276 11.261 1.00 0.00 H new ATOM 0 HB2 CYS A 614 -3.330 -5.280 11.065 1.00 0.00 H new ATOM 0 HB3 CYS A 614 -4.168 -4.095 10.083 1.00 0.00 H new ATOM 733 N ARG A 615 -5.334 -2.453 11.777 1.00 0.00 N ATOM 734 CA ARG A 615 -6.691 -2.207 12.292 1.00 0.00 C ATOM 735 C ARG A 615 -7.410 -3.531 12.597 1.00 0.00 C ATOM 736 O ARG A 615 -7.340 -4.471 11.801 1.00 0.00 O ATOM 737 CB ARG A 615 -7.482 -1.348 11.285 1.00 0.00 C ATOM 738 CG ARG A 615 -6.754 -0.070 10.825 1.00 0.00 C ATOM 739 CD ARG A 615 -6.454 0.901 11.977 1.00 0.00 C ATOM 740 NE ARG A 615 -5.675 2.066 11.514 1.00 0.00 N ATOM 741 CZ ARG A 615 -4.361 2.212 11.537 1.00 0.00 C ATOM 742 NH1 ARG A 615 -3.560 1.278 11.967 1.00 0.00 N ATOM 743 NH2 ARG A 615 -3.820 3.324 11.129 1.00 0.00 N ATOM 0 H ARG A 615 -5.230 -2.192 10.796 1.00 0.00 H new ATOM 0 HA ARG A 615 -6.622 -1.657 13.231 1.00 0.00 H new ATOM 0 HB2 ARG A 615 -7.711 -1.956 10.410 1.00 0.00 H new ATOM 0 HB3 ARG A 615 -8.434 -1.067 11.736 1.00 0.00 H new ATOM 0 HG2 ARG A 615 -5.819 -0.347 10.339 1.00 0.00 H new ATOM 0 HG3 ARG A 615 -7.363 0.439 10.078 1.00 0.00 H new ATOM 0 HD2 ARG A 615 -7.390 1.241 12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 615 -5.901 0.380 12.759 1.00 0.00 H new ATOM 0 HE ARG A 615 -6.211 2.846 11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 615 -3.942 0.394 12.303 1.00 0.00 H new ATOM 0 HH12 ARG A 615 -2.552 1.431 11.968 1.00 0.00 H new ATOM 0 HH21 ARG A 615 -4.410 4.084 10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 615 -2.806 3.435 11.148 1.00 0.00 H new ATOM 757 N ARG A 616 -8.102 -3.603 13.742 1.00 0.00 N ATOM 758 CA ARG A 616 -8.784 -4.805 14.272 1.00 0.00 C ATOM 759 C ARG A 616 -10.245 -4.515 14.653 1.00 0.00 C ATOM 760 O ARG A 616 -10.609 -3.365 14.918 1.00 0.00 O ATOM 761 CB ARG A 616 -8.008 -5.371 15.485 1.00 0.00 C ATOM 762 CG ARG A 616 -6.532 -5.732 15.233 1.00 0.00 C ATOM 763 CD ARG A 616 -6.345 -6.834 14.184 1.00 0.00 C ATOM 764 NE ARG A 616 -4.920 -7.078 13.889 1.00 0.00 N ATOM 765 CZ ARG A 616 -4.449 -7.888 12.959 1.00 0.00 C ATOM 766 NH1 ARG A 616 -5.228 -8.622 12.212 1.00 0.00 N ATOM 767 NH2 ARG A 616 -3.171 -7.983 12.751 1.00 0.00 N ATOM 0 H ARG A 616 -8.210 -2.795 14.354 1.00 0.00 H new ATOM 0 HA ARG A 616 -8.798 -5.552 13.479 1.00 0.00 H new ATOM 0 HB2 ARG A 616 -8.050 -4.639 16.292 1.00 0.00 H new ATOM 0 HB3 ARG A 616 -8.525 -6.264 15.837 1.00 0.00 H new ATOM 0 HG2 ARG A 616 -5.997 -4.839 14.910 1.00 0.00 H new ATOM 0 HG3 ARG A 616 -6.079 -6.053 16.171 1.00 0.00 H new ATOM 0 HD2 ARG A 616 -6.805 -7.756 14.540 1.00 0.00 H new ATOM 0 HD3 ARG A 616 -6.863 -6.553 13.267 1.00 0.00 H new ATOM 0 HE ARG A 616 -4.237 -6.575 14.455 1.00 0.00 H new ATOM 0 HH11 ARG A 616 -6.240 -8.582 12.336 1.00 0.00 H new ATOM 0 HH12 ARG A 616 -4.825 -9.236 11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 616 -2.521 -7.429 13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 616 -2.817 -8.612 12.030 1.00 0.00 H new ATOM 781 N GLY A 617 -11.074 -5.564 14.695 1.00 0.00 N ATOM 782 CA GLY A 617 -12.505 -5.511 15.043 1.00 0.00 C ATOM 783 C GLY A 617 -13.169 -6.887 15.021 1.00 0.00 C ATOM 784 O GLY A 617 -13.590 -7.323 13.929 1.00 0.00 O ATOM 785 OXT GLY A 617 -13.246 -7.524 16.095 1.00 0.00 O ATOM 0 H GLY A 617 -10.758 -6.510 14.480 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -12.617 -5.074 16.035 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -13.020 -4.852 14.344 1.00 0.00 H new TER 789 GLY A 617 HETATM 790 ZN ZN A 701 -2.573 7.781 -5.000 1.00 0.00 ZN HETATM 791 ZN ZN A 702 -1.701 -2.327 8.530 1.00 0.00 ZN