USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=8 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 Set 1.1: A 571 LYS NZ :NH3+ -174:sc= 0.14 (180deg=0.0984) USER MOD Set 1.2: A 582 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 22:sc= 0.212 USER MOD Single : A 577 GLN : amide:sc= 0.952 K(o=0.95,f=0) USER MOD Single : A 578 SER OG : rot 73:sc= 1.9 USER MOD Single : A 581 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 585 HIS : no HD1:sc= 0.229 K(o=0.23,f=-2.5!) USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 SER OG : rot 180:sc= 0 USER MOD Single : A 606 CYS SG : rot -150:sc= -0.0597 USER MOD Single : A 608 TYR OH : rot 0:sc= 0.605 USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 566 -5.363 -9.949 -18.211 1.00 0.00 N ATOM 2 CA THR A 566 -4.191 -9.754 -17.320 1.00 0.00 C ATOM 3 C THR A 566 -4.639 -9.333 -15.928 1.00 0.00 C ATOM 4 O THR A 566 -5.543 -8.509 -15.792 1.00 0.00 O ATOM 5 CB THR A 566 -3.219 -8.722 -17.904 1.00 0.00 C ATOM 6 OG1 THR A 566 -2.936 -9.088 -19.237 1.00 0.00 O ATOM 7 CG2 THR A 566 -1.879 -8.659 -17.167 1.00 0.00 C ATOM 0 HA THR A 566 -3.667 -10.707 -17.243 1.00 0.00 H new ATOM 0 HB THR A 566 -3.702 -7.749 -17.814 1.00 0.00 H new ATOM 0 HG1 THR A 566 -3.651 -9.667 -19.576 1.00 0.00 H new ATOM 0 HG21 THR A 566 -1.242 -7.908 -17.634 1.00 0.00 H new ATOM 0 HG22 THR A 566 -2.050 -8.392 -16.124 1.00 0.00 H new ATOM 0 HG23 THR A 566 -1.390 -9.632 -17.217 1.00 0.00 H new ATOM 15 N ASP A 567 -4.019 -9.888 -14.880 1.00 0.00 N ATOM 16 CA ASP A 567 -4.294 -9.568 -13.470 1.00 0.00 C ATOM 17 C ASP A 567 -3.002 -9.599 -12.627 1.00 0.00 C ATOM 18 O ASP A 567 -2.137 -10.453 -12.833 1.00 0.00 O ATOM 19 CB ASP A 567 -5.337 -10.557 -12.923 1.00 0.00 C ATOM 20 CG ASP A 567 -5.727 -10.243 -11.469 1.00 0.00 C ATOM 21 OD1 ASP A 567 -6.305 -9.158 -11.222 1.00 0.00 O ATOM 22 OD2 ASP A 567 -5.466 -11.082 -10.574 1.00 0.00 O ATOM 0 H ASP A 567 -3.290 -10.593 -14.990 1.00 0.00 H new ATOM 0 HA ASP A 567 -4.692 -8.555 -13.406 1.00 0.00 H new ATOM 0 HB2 ASP A 567 -6.228 -10.528 -13.551 1.00 0.00 H new ATOM 0 HB3 ASP A 567 -4.940 -11.570 -12.980 1.00 0.00 H new ATOM 27 N GLU A 568 -2.868 -8.668 -11.678 1.00 0.00 N ATOM 28 CA GLU A 568 -1.703 -8.511 -10.789 1.00 0.00 C ATOM 29 C GLU A 568 -2.130 -8.114 -9.363 1.00 0.00 C ATOM 30 O GLU A 568 -3.210 -7.556 -9.155 1.00 0.00 O ATOM 31 CB GLU A 568 -0.745 -7.437 -11.346 1.00 0.00 C ATOM 32 CG GLU A 568 -0.012 -7.813 -12.646 1.00 0.00 C ATOM 33 CD GLU A 568 0.953 -9.014 -12.509 1.00 0.00 C ATOM 34 OE1 GLU A 568 1.349 -9.383 -11.375 1.00 0.00 O ATOM 35 OE2 GLU A 568 1.368 -9.574 -13.554 1.00 0.00 O ATOM 0 H GLU A 568 -3.593 -7.974 -11.497 1.00 0.00 H new ATOM 0 HA GLU A 568 -1.195 -9.474 -10.745 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -1.314 -6.524 -11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -0.001 -7.208 -10.583 1.00 0.00 H new ATOM 0 HG2 GLU A 568 -0.752 -8.042 -13.413 1.00 0.00 H new ATOM 0 HG3 GLU A 568 0.551 -6.947 -12.995 1.00 0.00 H new ATOM 42 N ALA A 569 -1.257 -8.341 -8.371 1.00 0.00 N ATOM 43 CA ALA A 569 -1.519 -8.050 -6.951 1.00 0.00 C ATOM 44 C ALA A 569 -1.317 -6.577 -6.528 1.00 0.00 C ATOM 45 O ALA A 569 -1.368 -6.238 -5.343 1.00 0.00 O ATOM 46 CB ALA A 569 -0.702 -9.028 -6.103 1.00 0.00 C ATOM 0 H ALA A 569 -0.332 -8.739 -8.534 1.00 0.00 H new ATOM 0 HA ALA A 569 -2.585 -8.197 -6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -0.881 -8.830 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -1.001 -10.050 -6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 569 0.358 -8.901 -6.321 1.00 0.00 H new ATOM 52 N LEU A 570 -1.114 -5.721 -7.525 1.00 0.00 N ATOM 53 CA LEU A 570 -0.990 -4.264 -7.481 1.00 0.00 C ATOM 54 C LEU A 570 -2.294 -3.631 -6.981 1.00 0.00 C ATOM 55 O LEU A 570 -3.291 -3.524 -7.701 1.00 0.00 O ATOM 56 CB LEU A 570 -0.642 -3.726 -8.881 1.00 0.00 C ATOM 57 CG LEU A 570 0.702 -4.193 -9.466 1.00 0.00 C ATOM 58 CD1 LEU A 570 0.796 -3.758 -10.923 1.00 0.00 C ATOM 59 CD2 LEU A 570 1.903 -3.587 -8.747 1.00 0.00 C ATOM 0 H LEU A 570 -1.023 -6.064 -8.481 1.00 0.00 H new ATOM 0 HA LEU A 570 -0.190 -4.000 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -1.436 -4.017 -9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -0.639 -2.637 -8.840 1.00 0.00 H new ATOM 0 HG LEU A 570 0.729 -5.277 -9.351 1.00 0.00 H new ATOM 0 HD11 LEU A 570 1.747 -4.087 -11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -0.022 -4.203 -11.489 1.00 0.00 H new ATOM 0 HD13 LEU A 570 0.730 -2.672 -10.983 1.00 0.00 H new ATOM 0 HD21 LEU A 570 2.823 -3.953 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 570 1.865 -2.501 -8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 570 1.881 -3.874 -7.696 1.00 0.00 H new ATOM 71 N LYS A 571 -2.269 -3.234 -5.714 1.00 0.00 N ATOM 72 CA LYS A 571 -3.444 -2.760 -4.966 1.00 0.00 C ATOM 73 C LYS A 571 -3.791 -1.299 -5.293 1.00 0.00 C ATOM 74 O LYS A 571 -2.883 -0.504 -5.567 1.00 0.00 O ATOM 75 CB LYS A 571 -3.276 -2.989 -3.450 1.00 0.00 C ATOM 76 CG LYS A 571 -2.774 -4.410 -3.159 1.00 0.00 C ATOM 77 CD LYS A 571 -3.061 -4.900 -1.735 1.00 0.00 C ATOM 78 CE LYS A 571 -2.263 -6.175 -1.410 1.00 0.00 C ATOM 79 NZ LYS A 571 -2.376 -7.226 -2.460 1.00 0.00 N ATOM 0 H LYS A 571 -1.414 -3.230 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 571 -4.294 -3.359 -5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 571 -2.573 -2.261 -3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 571 -4.229 -2.826 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 571 -3.235 -5.098 -3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 571 -1.699 -4.446 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 571 -2.806 -4.117 -1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 571 -4.127 -5.098 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 571 -1.213 -5.914 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 571 -2.612 -6.581 -0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 571 -1.902 -8.093 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 571 -3.380 -7.428 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 571 -1.926 -6.892 -3.336 1.00 0.00 H new ATOM 93 N PRO A 572 -5.081 -0.920 -5.247 1.00 0.00 N ATOM 94 CA PRO A 572 -5.506 0.460 -5.426 1.00 0.00 C ATOM 95 C PRO A 572 -5.087 1.322 -4.228 1.00 0.00 C ATOM 96 O PRO A 572 -5.376 0.997 -3.073 1.00 0.00 O ATOM 97 CB PRO A 572 -7.025 0.410 -5.603 1.00 0.00 C ATOM 98 CG PRO A 572 -7.439 -0.862 -4.864 1.00 0.00 C ATOM 99 CD PRO A 572 -6.229 -1.784 -5.017 1.00 0.00 C ATOM 0 HA PRO A 572 -5.035 0.922 -6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 572 -7.506 1.292 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 572 -7.303 0.369 -6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 572 -7.659 -0.662 -3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 572 -8.336 -1.303 -5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 572 -6.086 -2.389 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 572 -6.369 -2.474 -5.849 1.00 0.00 H new ATOM 107 N CYS A 573 -4.435 2.443 -4.524 1.00 0.00 N ATOM 108 CA CYS A 573 -4.049 3.482 -3.577 1.00 0.00 C ATOM 109 C CYS A 573 -5.252 3.967 -2.737 1.00 0.00 C ATOM 110 O CYS A 573 -6.307 4.296 -3.291 1.00 0.00 O ATOM 111 CB CYS A 573 -3.442 4.590 -4.435 1.00 0.00 C ATOM 112 SG CYS A 573 -3.153 6.165 -3.553 1.00 0.00 S ATOM 0 H CYS A 573 -4.148 2.661 -5.478 1.00 0.00 H new ATOM 0 HA CYS A 573 -3.334 3.120 -2.838 1.00 0.00 H new ATOM 0 HB2 CYS A 573 -2.494 4.238 -4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 573 -4.102 4.779 -5.281 1.00 0.00 H new ATOM 117 N PRO A 574 -5.129 4.045 -1.404 1.00 0.00 N ATOM 118 CA PRO A 574 -6.217 4.440 -0.508 1.00 0.00 C ATOM 119 C PRO A 574 -6.604 5.931 -0.629 1.00 0.00 C ATOM 120 O PRO A 574 -7.614 6.339 -0.048 1.00 0.00 O ATOM 121 CB PRO A 574 -5.726 4.044 0.889 1.00 0.00 C ATOM 122 CG PRO A 574 -4.215 4.181 0.764 1.00 0.00 C ATOM 123 CD PRO A 574 -3.937 3.714 -0.650 1.00 0.00 C ATOM 0 HA PRO A 574 -7.151 3.938 -0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -6.130 4.699 1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -6.020 3.027 1.148 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -3.891 5.210 0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -3.694 3.568 1.500 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -3.060 4.212 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -3.739 2.643 -0.678 1.00 0.00 H new ATOM 131 N ARG A 575 -5.854 6.738 -1.401 1.00 0.00 N ATOM 132 CA ARG A 575 -6.200 8.130 -1.753 1.00 0.00 C ATOM 133 C ARG A 575 -6.894 8.272 -3.113 1.00 0.00 C ATOM 134 O ARG A 575 -7.943 8.915 -3.183 1.00 0.00 O ATOM 135 CB ARG A 575 -4.935 9.000 -1.759 1.00 0.00 C ATOM 136 CG ARG A 575 -4.462 9.447 -0.372 1.00 0.00 C ATOM 137 CD ARG A 575 -3.365 10.508 -0.538 1.00 0.00 C ATOM 138 NE ARG A 575 -3.001 11.137 0.744 1.00 0.00 N ATOM 139 CZ ARG A 575 -2.007 11.986 0.940 1.00 0.00 C ATOM 140 NH1 ARG A 575 -1.167 12.310 -0.003 1.00 0.00 N ATOM 141 NH2 ARG A 575 -1.829 12.529 2.111 1.00 0.00 N ATOM 0 H ARG A 575 -4.969 6.435 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 575 -6.907 8.460 -0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 575 -4.130 8.445 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 575 -5.121 9.885 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 575 -5.297 9.854 0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 575 -4.080 8.594 0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 575 -2.481 10.048 -0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 575 -3.706 11.275 -1.233 1.00 0.00 H new ATOM 0 HE ARG A 575 -3.569 10.895 1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 575 -1.264 11.904 -0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 575 -0.413 12.970 0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 575 -2.458 12.299 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 575 -1.061 13.184 2.258 1.00 0.00 H new ATOM 155 N CYS A 576 -6.310 7.702 -4.174 1.00 0.00 N ATOM 156 CA CYS A 576 -6.709 7.943 -5.572 1.00 0.00 C ATOM 157 C CYS A 576 -7.091 6.677 -6.371 1.00 0.00 C ATOM 158 O CYS A 576 -7.497 6.771 -7.533 1.00 0.00 O ATOM 159 CB CYS A 576 -5.622 8.789 -6.256 1.00 0.00 C ATOM 160 SG CYS A 576 -4.105 7.846 -6.534 1.00 0.00 S ATOM 0 H CYS A 576 -5.532 7.048 -4.087 1.00 0.00 H new ATOM 0 HA CYS A 576 -7.647 8.499 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 576 -5.998 9.160 -7.209 1.00 0.00 H new ATOM 0 HB3 CYS A 576 -5.400 9.660 -5.640 1.00 0.00 H new ATOM 165 N GLN A 577 -6.997 5.499 -5.743 1.00 0.00 N ATOM 166 CA GLN A 577 -7.312 4.174 -6.300 1.00 0.00 C ATOM 167 C GLN A 577 -6.451 3.759 -7.513 1.00 0.00 C ATOM 168 O GLN A 577 -6.750 2.769 -8.185 1.00 0.00 O ATOM 169 CB GLN A 577 -8.832 4.007 -6.523 1.00 0.00 C ATOM 170 CG GLN A 577 -9.709 4.240 -5.277 1.00 0.00 C ATOM 171 CD GLN A 577 -9.731 3.050 -4.318 1.00 0.00 C ATOM 172 OE1 GLN A 577 -10.610 2.198 -4.367 1.00 0.00 O ATOM 173 NE2 GLN A 577 -8.785 2.926 -3.412 1.00 0.00 N ATOM 0 H GLN A 577 -6.681 5.439 -4.775 1.00 0.00 H new ATOM 0 HA GLN A 577 -7.019 3.451 -5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 577 -9.147 4.700 -7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 577 -9.020 3.000 -6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 577 -9.345 5.119 -4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 577 -10.728 4.459 -5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 577 -8.042 3.623 -3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 577 -8.794 2.133 -2.770 1.00 0.00 H new ATOM 182 N SER A 578 -5.348 4.468 -7.770 1.00 0.00 N ATOM 183 CA SER A 578 -4.347 4.115 -8.788 1.00 0.00 C ATOM 184 C SER A 578 -3.609 2.813 -8.424 1.00 0.00 C ATOM 185 O SER A 578 -3.416 2.557 -7.232 1.00 0.00 O ATOM 186 CB SER A 578 -3.319 5.245 -8.937 1.00 0.00 C ATOM 187 OG SER A 578 -3.964 6.492 -9.126 1.00 0.00 O ATOM 0 H SER A 578 -5.118 5.324 -7.265 1.00 0.00 H new ATOM 0 HA SER A 578 -4.877 3.967 -9.729 1.00 0.00 H new ATOM 0 HB2 SER A 578 -2.688 5.288 -8.049 1.00 0.00 H new ATOM 0 HB3 SER A 578 -2.664 5.037 -9.783 1.00 0.00 H new ATOM 0 HG SER A 578 -4.364 6.785 -8.281 1.00 0.00 H new ATOM 193 N PRO A 579 -3.150 1.996 -9.395 1.00 0.00 N ATOM 194 CA PRO A 579 -2.327 0.816 -9.123 1.00 0.00 C ATOM 195 C PRO A 579 -0.960 1.238 -8.567 1.00 0.00 C ATOM 196 O PRO A 579 -0.085 1.732 -9.284 1.00 0.00 O ATOM 197 CB PRO A 579 -2.217 0.067 -10.455 1.00 0.00 C ATOM 198 CG PRO A 579 -2.359 1.186 -11.485 1.00 0.00 C ATOM 199 CD PRO A 579 -3.348 2.148 -10.829 1.00 0.00 C ATOM 0 HA PRO A 579 -2.765 0.168 -8.364 1.00 0.00 H new ATOM 0 HB2 PRO A 579 -1.263 -0.451 -10.550 1.00 0.00 H new ATOM 0 HB3 PRO A 579 -3.000 -0.684 -10.563 1.00 0.00 H new ATOM 0 HG2 PRO A 579 -1.403 1.669 -11.688 1.00 0.00 H new ATOM 0 HG3 PRO A 579 -2.735 0.811 -12.437 1.00 0.00 H new ATOM 0 HD2 PRO A 579 -3.163 3.175 -11.143 1.00 0.00 H new ATOM 0 HD3 PRO A 579 -4.373 1.908 -11.111 1.00 0.00 H new ATOM 207 N ALA A 580 -0.787 1.058 -7.263 1.00 0.00 N ATOM 208 CA ALA A 580 0.437 1.381 -6.538 1.00 0.00 C ATOM 209 C ALA A 580 1.518 0.300 -6.731 1.00 0.00 C ATOM 210 O ALA A 580 1.202 -0.883 -6.889 1.00 0.00 O ATOM 211 CB ALA A 580 0.064 1.576 -5.068 1.00 0.00 C ATOM 0 H ALA A 580 -1.516 0.672 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 580 0.877 2.298 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 580 0.959 1.820 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 580 -0.656 2.390 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 580 -0.377 0.658 -4.680 1.00 0.00 H new ATOM 217 N LYS A 581 2.798 0.694 -6.670 1.00 0.00 N ATOM 218 CA LYS A 581 3.951 -0.218 -6.678 1.00 0.00 C ATOM 219 C LYS A 581 3.899 -1.093 -5.428 1.00 0.00 C ATOM 220 O LYS A 581 4.073 -0.601 -4.310 1.00 0.00 O ATOM 221 CB LYS A 581 5.268 0.577 -6.757 1.00 0.00 C ATOM 222 CG LYS A 581 6.453 -0.339 -7.111 1.00 0.00 C ATOM 223 CD LYS A 581 7.792 0.410 -7.190 1.00 0.00 C ATOM 224 CE LYS A 581 7.833 1.411 -8.354 1.00 0.00 C ATOM 225 NZ LYS A 581 9.164 2.064 -8.470 1.00 0.00 N ATOM 0 H LYS A 581 3.066 1.676 -6.613 1.00 0.00 H new ATOM 0 HA LYS A 581 3.909 -0.860 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 581 5.176 1.363 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 581 5.457 1.068 -5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 581 6.529 -1.129 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 581 6.257 -0.823 -8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 581 7.966 0.939 -6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 581 8.602 -0.310 -7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 581 7.598 0.896 -9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 581 7.066 2.171 -8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 581 9.154 2.733 -9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 581 9.377 2.576 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 581 9.893 1.340 -8.635 1.00 0.00 H new ATOM 239 N TYR A 582 3.617 -2.375 -5.622 1.00 0.00 N ATOM 240 CA TYR A 582 3.377 -3.326 -4.542 1.00 0.00 C ATOM 241 C TYR A 582 4.690 -3.925 -4.021 1.00 0.00 C ATOM 242 O TYR A 582 5.553 -4.331 -4.804 1.00 0.00 O ATOM 243 CB TYR A 582 2.412 -4.403 -5.052 1.00 0.00 C ATOM 244 CG TYR A 582 1.951 -5.435 -4.049 1.00 0.00 C ATOM 245 CD1 TYR A 582 1.672 -5.080 -2.716 1.00 0.00 C ATOM 246 CD2 TYR A 582 1.763 -6.760 -4.480 1.00 0.00 C ATOM 247 CE1 TYR A 582 1.233 -6.057 -1.807 1.00 0.00 C ATOM 248 CE2 TYR A 582 1.294 -7.732 -3.581 1.00 0.00 C ATOM 249 CZ TYR A 582 1.026 -7.384 -2.240 1.00 0.00 C ATOM 250 OH TYR A 582 0.536 -8.323 -1.385 1.00 0.00 O ATOM 0 H TYR A 582 3.547 -2.791 -6.551 1.00 0.00 H new ATOM 0 HA TYR A 582 2.924 -2.815 -3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 582 1.531 -3.905 -5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 582 2.892 -4.925 -5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 582 1.795 -4.057 -2.392 1.00 0.00 H new ATOM 0 HD2 TYR A 582 1.979 -7.031 -5.503 1.00 0.00 H new ATOM 0 HE1 TYR A 582 1.054 -5.792 -0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 582 1.138 -8.747 -3.916 1.00 0.00 H new ATOM 0 HH TYR A 582 0.456 -9.181 -1.852 1.00 0.00 H new ATOM 260 N GLN A 583 4.834 -3.987 -2.697 1.00 0.00 N ATOM 261 CA GLN A 583 6.029 -4.464 -1.998 1.00 0.00 C ATOM 262 C GLN A 583 5.635 -5.550 -0.971 1.00 0.00 C ATOM 263 O GLN A 583 5.651 -5.295 0.239 1.00 0.00 O ATOM 264 CB GLN A 583 6.764 -3.266 -1.356 1.00 0.00 C ATOM 265 CG GLN A 583 6.879 -2.000 -2.237 1.00 0.00 C ATOM 266 CD GLN A 583 7.807 -0.930 -1.661 1.00 0.00 C ATOM 267 OE1 GLN A 583 8.311 -0.999 -0.548 1.00 0.00 O ATOM 268 NE2 GLN A 583 8.069 0.121 -2.407 1.00 0.00 N ATOM 0 H GLN A 583 4.095 -3.696 -2.058 1.00 0.00 H new ATOM 0 HA GLN A 583 6.722 -4.928 -2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 583 6.248 -2.999 -0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 583 7.768 -3.586 -1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 583 7.240 -2.287 -3.225 1.00 0.00 H new ATOM 0 HG3 GLN A 583 5.886 -1.572 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 583 7.660 0.200 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 583 8.681 0.857 -2.054 1.00 0.00 H new ATOM 277 N PRO A 584 5.232 -6.760 -1.413 1.00 0.00 N ATOM 278 CA PRO A 584 4.741 -7.826 -0.529 1.00 0.00 C ATOM 279 C PRO A 584 5.789 -8.310 0.488 1.00 0.00 C ATOM 280 O PRO A 584 5.438 -8.712 1.598 1.00 0.00 O ATOM 281 CB PRO A 584 4.305 -8.963 -1.462 1.00 0.00 C ATOM 282 CG PRO A 584 5.092 -8.718 -2.749 1.00 0.00 C ATOM 283 CD PRO A 584 5.210 -7.201 -2.801 1.00 0.00 C ATOM 0 HA PRO A 584 3.921 -7.456 0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 584 4.535 -9.939 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 584 3.230 -8.940 -1.642 1.00 0.00 H new ATOM 0 HG2 PRO A 584 6.071 -9.197 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 584 4.570 -9.111 -3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 584 6.117 -6.896 -3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 584 4.370 -6.761 -3.338 1.00 0.00 H new ATOM 291 N HIS A 585 7.078 -8.203 0.151 1.00 0.00 N ATOM 292 CA HIS A 585 8.222 -8.480 1.032 1.00 0.00 C ATOM 293 C HIS A 585 8.403 -7.455 2.167 1.00 0.00 C ATOM 294 O HIS A 585 9.096 -7.742 3.145 1.00 0.00 O ATOM 295 CB HIS A 585 9.489 -8.574 0.164 1.00 0.00 C ATOM 296 CG HIS A 585 9.861 -7.312 -0.590 1.00 0.00 C ATOM 297 ND1 HIS A 585 8.987 -6.504 -1.331 1.00 0.00 N ATOM 298 CD2 HIS A 585 11.127 -6.823 -0.727 1.00 0.00 C ATOM 299 CE1 HIS A 585 9.751 -5.552 -1.894 1.00 0.00 C ATOM 300 NE2 HIS A 585 11.038 -5.718 -1.546 1.00 0.00 N ATOM 0 H HIS A 585 7.367 -7.909 -0.782 1.00 0.00 H new ATOM 0 HA HIS A 585 8.028 -9.425 1.540 1.00 0.00 H new ATOM 0 HB2 HIS A 585 10.326 -8.854 0.804 1.00 0.00 H new ATOM 0 HB3 HIS A 585 9.355 -9.381 -0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 585 12.025 -7.224 -0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 585 9.382 -4.765 -2.535 1.00 0.00 H new ATOM 0 HE2 HIS A 585 11.816 -5.127 -1.838 1.00 0.00 H new ATOM 308 N LYS A 586 7.763 -6.281 2.060 1.00 0.00 N ATOM 309 CA LYS A 586 7.768 -5.184 3.050 1.00 0.00 C ATOM 310 C LYS A 586 6.365 -4.819 3.569 1.00 0.00 C ATOM 311 O LYS A 586 6.233 -3.870 4.343 1.00 0.00 O ATOM 312 CB LYS A 586 8.477 -3.958 2.437 1.00 0.00 C ATOM 313 CG LYS A 586 9.955 -4.236 2.119 1.00 0.00 C ATOM 314 CD LYS A 586 10.651 -2.988 1.564 1.00 0.00 C ATOM 315 CE LYS A 586 12.129 -3.296 1.295 1.00 0.00 C ATOM 316 NZ LYS A 586 12.852 -2.109 0.768 1.00 0.00 N ATOM 0 H LYS A 586 7.198 -6.056 1.241 1.00 0.00 H new ATOM 0 HA LYS A 586 8.315 -5.531 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 586 7.961 -3.662 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 586 8.408 -3.118 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 586 10.467 -4.569 3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 586 10.027 -5.047 1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 586 10.163 -2.667 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 586 10.564 -2.166 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 586 12.604 -3.632 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 586 12.206 -4.115 0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 13.848 -2.356 0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 12.414 -1.804 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 12.801 -1.335 1.461 1.00 0.00 H new ATOM 330 N LYS A 587 5.319 -5.535 3.122 1.00 0.00 N ATOM 331 CA LYS A 587 3.884 -5.225 3.326 1.00 0.00 C ATOM 332 C LYS A 587 3.544 -3.743 3.080 1.00 0.00 C ATOM 333 O LYS A 587 2.770 -3.122 3.812 1.00 0.00 O ATOM 334 CB LYS A 587 3.402 -5.802 4.674 1.00 0.00 C ATOM 335 CG LYS A 587 3.074 -7.293 4.519 1.00 0.00 C ATOM 336 CD LYS A 587 2.797 -7.964 5.869 1.00 0.00 C ATOM 337 CE LYS A 587 2.122 -9.321 5.629 1.00 0.00 C ATOM 338 NZ LYS A 587 2.119 -10.162 6.857 1.00 0.00 N ATOM 0 H LYS A 587 5.453 -6.389 2.581 1.00 0.00 H new ATOM 0 HA LYS A 587 3.302 -5.732 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 587 4.173 -5.668 5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 587 2.520 -5.261 5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 587 2.204 -7.407 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 587 3.906 -7.798 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 587 3.728 -8.100 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 587 2.156 -7.328 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 587 1.097 -9.163 5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 587 2.641 -9.848 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 587 1.655 -11.070 6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 587 3.098 -10.334 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 587 1.602 -9.670 7.613 1.00 0.00 H new ATOM 352 N ARG A 588 4.138 -3.180 2.024 1.00 0.00 N ATOM 353 CA ARG A 588 4.110 -1.747 1.687 1.00 0.00 C ATOM 354 C ARG A 588 3.590 -1.524 0.267 1.00 0.00 C ATOM 355 O ARG A 588 3.753 -2.382 -0.601 1.00 0.00 O ATOM 356 CB ARG A 588 5.525 -1.190 1.918 1.00 0.00 C ATOM 357 CG ARG A 588 5.623 0.335 1.913 1.00 0.00 C ATOM 358 CD ARG A 588 7.036 0.746 2.331 1.00 0.00 C ATOM 359 NE ARG A 588 7.221 2.201 2.227 1.00 0.00 N ATOM 360 CZ ARG A 588 8.337 2.850 1.959 1.00 0.00 C ATOM 361 NH1 ARG A 588 9.432 2.242 1.594 1.00 0.00 N ATOM 362 NH2 ARG A 588 8.370 4.144 2.058 1.00 0.00 N ATOM 0 H ARG A 588 4.674 -3.729 1.351 1.00 0.00 H new ATOM 0 HA ARG A 588 3.413 -1.206 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 588 5.894 -1.560 2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 588 6.186 -1.585 1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.396 0.723 0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.889 0.761 2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 588 7.222 0.426 3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 588 7.766 0.238 1.701 1.00 0.00 H new ATOM 0 HE ARG A 588 6.391 2.774 2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 588 9.446 1.226 1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 588 10.274 2.783 1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 588 7.534 4.655 2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 588 9.232 4.649 1.852 1.00 0.00 H new ATOM 376 N GLY A 589 2.957 -0.384 0.023 1.00 0.00 N ATOM 377 CA GLY A 589 2.500 0.027 -1.304 1.00 0.00 C ATOM 378 C GLY A 589 2.732 1.524 -1.521 1.00 0.00 C ATOM 379 O GLY A 589 2.417 2.330 -0.642 1.00 0.00 O ATOM 0 H GLY A 589 2.741 0.295 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 589 3.030 -0.542 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 589 1.440 -0.201 -1.415 1.00 0.00 H new ATOM 383 N LEU A 590 3.317 1.890 -2.671 1.00 0.00 N ATOM 384 CA LEU A 590 3.657 3.276 -3.030 1.00 0.00 C ATOM 385 C LEU A 590 2.916 3.741 -4.286 1.00 0.00 C ATOM 386 O LEU A 590 3.031 3.118 -5.342 1.00 0.00 O ATOM 387 CB LEU A 590 5.176 3.438 -3.224 1.00 0.00 C ATOM 388 CG LEU A 590 6.035 3.261 -1.961 1.00 0.00 C ATOM 389 CD1 LEU A 590 7.486 3.630 -2.272 1.00 0.00 C ATOM 390 CD2 LEU A 590 5.545 4.141 -0.815 1.00 0.00 C ATOM 0 H LEU A 590 3.573 1.217 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 590 3.336 3.906 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 590 5.507 2.715 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 590 5.367 4.430 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 590 5.958 2.218 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 590 8.094 3.504 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 590 7.865 2.981 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 590 7.535 4.668 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 590 6.178 3.987 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 590 5.590 5.188 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 590 4.516 3.878 -0.569 1.00 0.00 H new ATOM 402 N CYS A 591 2.178 4.848 -4.188 1.00 0.00 N ATOM 403 CA CYS A 591 1.347 5.355 -5.280 1.00 0.00 C ATOM 404 C CYS A 591 2.158 5.710 -6.547 1.00 0.00 C ATOM 405 O CYS A 591 3.281 6.224 -6.479 1.00 0.00 O ATOM 406 CB CYS A 591 0.547 6.550 -4.764 1.00 0.00 C ATOM 407 SG CYS A 591 -0.701 6.981 -5.996 1.00 0.00 S ATOM 0 H CYS A 591 2.140 5.420 -3.345 1.00 0.00 H new ATOM 0 HA CYS A 591 0.669 4.562 -5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 591 0.072 6.306 -3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 591 1.208 7.398 -4.582 1.00 0.00 H new ATOM 412 N SER A 592 1.555 5.453 -7.711 1.00 0.00 N ATOM 413 CA SER A 592 2.102 5.783 -9.035 1.00 0.00 C ATOM 414 C SER A 592 1.825 7.242 -9.452 1.00 0.00 C ATOM 415 O SER A 592 2.540 7.802 -10.290 1.00 0.00 O ATOM 416 CB SER A 592 1.523 4.793 -10.055 1.00 0.00 C ATOM 417 OG SER A 592 2.191 4.882 -11.303 1.00 0.00 O ATOM 0 H SER A 592 0.645 4.996 -7.762 1.00 0.00 H new ATOM 0 HA SER A 592 3.188 5.694 -8.995 1.00 0.00 H new ATOM 0 HB2 SER A 592 1.608 3.778 -9.667 1.00 0.00 H new ATOM 0 HB3 SER A 592 0.461 4.993 -10.195 1.00 0.00 H new ATOM 0 HG SER A 592 1.800 4.238 -11.930 1.00 0.00 H new ATOM 423 N ARG A 593 0.812 7.892 -8.856 1.00 0.00 N ATOM 424 CA ARG A 593 0.385 9.264 -9.172 1.00 0.00 C ATOM 425 C ARG A 593 1.265 10.286 -8.447 1.00 0.00 C ATOM 426 O ARG A 593 1.276 10.340 -7.219 1.00 0.00 O ATOM 427 CB ARG A 593 -1.111 9.374 -8.827 1.00 0.00 C ATOM 428 CG ARG A 593 -1.712 10.767 -9.068 1.00 0.00 C ATOM 429 CD ARG A 593 -3.221 10.845 -8.764 1.00 0.00 C ATOM 430 NE ARG A 593 -3.984 9.719 -9.336 1.00 0.00 N ATOM 431 CZ ARG A 593 -4.495 9.607 -10.547 1.00 0.00 C ATOM 432 NH1 ARG A 593 -4.501 10.594 -11.401 1.00 0.00 N ATOM 433 NH2 ARG A 593 -5.006 8.475 -10.927 1.00 0.00 N ATOM 0 H ARG A 593 0.251 7.464 -8.119 1.00 0.00 H new ATOM 0 HA ARG A 593 0.509 9.489 -10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 593 -1.664 8.645 -9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 593 -1.252 9.106 -7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 593 -1.186 11.493 -8.448 1.00 0.00 H new ATOM 0 HG3 ARG A 593 -1.543 11.052 -10.106 1.00 0.00 H new ATOM 0 HD2 ARG A 593 -3.368 10.865 -7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 593 -3.617 11.782 -9.157 1.00 0.00 H new ATOM 0 HE ARG A 593 -4.136 8.924 -8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 593 -4.100 11.495 -11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 593 -4.907 10.464 -12.328 1.00 0.00 H new ATOM 0 HH21 ARG A 593 -5.011 7.678 -10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 593 -5.402 8.383 -11.862 1.00 0.00 H new ATOM 447 N LEU A 594 1.973 11.133 -9.198 1.00 0.00 N ATOM 448 CA LEU A 594 2.974 12.066 -8.651 1.00 0.00 C ATOM 449 C LEU A 594 2.365 13.190 -7.789 1.00 0.00 C ATOM 450 O LEU A 594 3.009 13.664 -6.851 1.00 0.00 O ATOM 451 CB LEU A 594 3.814 12.653 -9.804 1.00 0.00 C ATOM 452 CG LEU A 594 4.605 11.627 -10.640 1.00 0.00 C ATOM 453 CD1 LEU A 594 5.383 12.352 -11.739 1.00 0.00 C ATOM 454 CD2 LEU A 594 5.605 10.823 -9.802 1.00 0.00 C ATOM 0 H LEU A 594 1.871 11.195 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 594 3.611 11.493 -7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 594 3.150 13.203 -10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 594 4.517 13.375 -9.387 1.00 0.00 H new ATOM 0 HG LEU A 594 3.874 10.934 -11.057 1.00 0.00 H new ATOM 0 HD11 LEU A 594 5.942 11.625 -12.329 1.00 0.00 H new ATOM 0 HD12 LEU A 594 4.687 12.886 -12.386 1.00 0.00 H new ATOM 0 HD13 LEU A 594 6.076 13.062 -11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 594 6.132 10.117 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 594 6.323 11.502 -9.342 1.00 0.00 H new ATOM 0 HD23 LEU A 594 5.072 10.277 -9.024 1.00 0.00 H new ATOM 466 N ALA A 595 1.117 13.587 -8.063 1.00 0.00 N ATOM 467 CA ALA A 595 0.365 14.556 -7.255 1.00 0.00 C ATOM 468 C ALA A 595 -0.179 13.970 -5.929 1.00 0.00 C ATOM 469 O ALA A 595 -0.521 14.722 -5.012 1.00 0.00 O ATOM 470 CB ALA A 595 -0.768 15.113 -8.128 1.00 0.00 C ATOM 0 H ALA A 595 0.592 13.239 -8.865 1.00 0.00 H new ATOM 0 HA ALA A 595 1.044 15.350 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 595 -1.346 15.837 -7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 595 -0.345 15.600 -9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 595 -1.419 14.297 -8.444 1.00 0.00 H new ATOM 476 N CYS A 596 -0.256 12.637 -5.830 1.00 0.00 N ATOM 477 CA CYS A 596 -0.764 11.877 -4.685 1.00 0.00 C ATOM 478 C CYS A 596 0.381 11.396 -3.773 1.00 0.00 C ATOM 479 O CYS A 596 0.442 11.773 -2.597 1.00 0.00 O ATOM 480 CB CYS A 596 -1.574 10.733 -5.291 1.00 0.00 C ATOM 481 SG CYS A 596 -2.206 9.559 -4.059 1.00 0.00 S ATOM 0 H CYS A 596 0.052 12.028 -6.589 1.00 0.00 H new ATOM 0 HA CYS A 596 -1.389 12.483 -4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 596 -2.413 11.149 -5.849 1.00 0.00 H new ATOM 0 HB3 CYS A 596 -0.951 10.196 -6.006 1.00 0.00 H new ATOM 486 N GLY A 597 1.312 10.621 -4.344 1.00 0.00 N ATOM 487 CA GLY A 597 2.587 10.209 -3.739 1.00 0.00 C ATOM 488 C GLY A 597 2.447 9.620 -2.328 1.00 0.00 C ATOM 489 O GLY A 597 3.051 10.133 -1.382 1.00 0.00 O ATOM 0 H GLY A 597 1.192 10.246 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 597 3.062 9.470 -4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 597 3.253 11.071 -3.697 1.00 0.00 H new ATOM 493 N PHE A 598 1.625 8.578 -2.178 1.00 0.00 N ATOM 494 CA PHE A 598 1.198 8.030 -0.891 1.00 0.00 C ATOM 495 C PHE A 598 1.927 6.729 -0.539 1.00 0.00 C ATOM 496 O PHE A 598 2.388 6.005 -1.422 1.00 0.00 O ATOM 497 CB PHE A 598 -0.332 7.878 -0.872 1.00 0.00 C ATOM 498 CG PHE A 598 -0.898 7.720 0.530 1.00 0.00 C ATOM 499 CD1 PHE A 598 -0.802 8.781 1.452 1.00 0.00 C ATOM 500 CD2 PHE A 598 -1.498 6.514 0.930 1.00 0.00 C ATOM 501 CE1 PHE A 598 -1.321 8.648 2.754 1.00 0.00 C ATOM 502 CE2 PHE A 598 -2.008 6.379 2.235 1.00 0.00 C ATOM 503 CZ PHE A 598 -1.935 7.444 3.141 1.00 0.00 C ATOM 0 H PHE A 598 1.227 8.079 -2.973 1.00 0.00 H new ATOM 0 HA PHE A 598 1.477 8.734 -0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 598 -0.784 8.751 -1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 598 -0.613 7.011 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 598 -0.326 9.705 1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 598 -1.568 5.690 0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 598 -1.248 9.468 3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 598 -2.459 5.446 2.540 1.00 0.00 H new ATOM 0 HZ PHE A 598 -2.349 7.341 4.133 1.00 0.00 H new ATOM 513 N ASP A 599 2.024 6.445 0.759 1.00 0.00 N ATOM 514 CA ASP A 599 2.785 5.337 1.336 1.00 0.00 C ATOM 515 C ASP A 599 1.916 4.612 2.371 1.00 0.00 C ATOM 516 O ASP A 599 1.660 5.146 3.456 1.00 0.00 O ATOM 517 CB ASP A 599 4.075 5.918 1.939 1.00 0.00 C ATOM 518 CG ASP A 599 5.029 4.877 2.539 1.00 0.00 C ATOM 519 OD1 ASP A 599 4.800 3.655 2.414 1.00 0.00 O ATOM 520 OD2 ASP A 599 6.076 5.290 3.091 1.00 0.00 O ATOM 0 H ASP A 599 1.553 7.006 1.469 1.00 0.00 H new ATOM 0 HA ASP A 599 3.062 4.597 0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.605 6.472 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 599 3.806 6.634 2.715 1.00 0.00 H new ATOM 525 N PHE A 600 1.421 3.421 2.019 1.00 0.00 N ATOM 526 CA PHE A 600 0.392 2.715 2.784 1.00 0.00 C ATOM 527 C PHE A 600 0.730 1.269 3.162 1.00 0.00 C ATOM 528 O PHE A 600 1.515 0.582 2.498 1.00 0.00 O ATOM 529 CB PHE A 600 -0.943 2.810 2.036 1.00 0.00 C ATOM 530 CG PHE A 600 -1.031 2.086 0.705 1.00 0.00 C ATOM 531 CD1 PHE A 600 -0.696 2.757 -0.485 1.00 0.00 C ATOM 532 CD2 PHE A 600 -1.522 0.769 0.645 1.00 0.00 C ATOM 533 CE1 PHE A 600 -0.875 2.125 -1.726 1.00 0.00 C ATOM 534 CE2 PHE A 600 -1.695 0.131 -0.596 1.00 0.00 C ATOM 535 CZ PHE A 600 -1.381 0.814 -1.783 1.00 0.00 C ATOM 0 H PHE A 600 1.727 2.917 1.187 1.00 0.00 H new ATOM 0 HA PHE A 600 0.325 3.219 3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 600 -1.726 2.422 2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 600 -1.163 3.864 1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 600 -0.300 3.761 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 600 -1.767 0.245 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 600 -0.624 2.646 -2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 600 -2.068 -0.882 -0.637 1.00 0.00 H new ATOM 0 HZ PHE A 600 -1.528 0.333 -2.739 1.00 0.00 H new ATOM 545 N CYS A 601 0.085 0.815 4.238 1.00 0.00 N ATOM 546 CA CYS A 601 0.055 -0.567 4.688 1.00 0.00 C ATOM 547 C CYS A 601 -0.904 -1.387 3.807 1.00 0.00 C ATOM 548 O CYS A 601 -2.091 -1.067 3.686 1.00 0.00 O ATOM 549 CB CYS A 601 -0.380 -0.562 6.156 1.00 0.00 C ATOM 550 SG CYS A 601 -0.566 -2.280 6.741 1.00 0.00 S ATOM 0 H CYS A 601 -0.454 1.434 4.844 1.00 0.00 H new ATOM 0 HA CYS A 601 1.037 -1.033 4.603 1.00 0.00 H new ATOM 0 HB2 CYS A 601 0.358 -0.038 6.763 1.00 0.00 H new ATOM 0 HB3 CYS A 601 -1.322 -0.025 6.265 1.00 0.00 H new ATOM 555 N VAL A 602 -0.399 -2.459 3.195 1.00 0.00 N ATOM 556 CA VAL A 602 -1.167 -3.283 2.239 1.00 0.00 C ATOM 557 C VAL A 602 -2.164 -4.239 2.907 1.00 0.00 C ATOM 558 O VAL A 602 -2.969 -4.859 2.211 1.00 0.00 O ATOM 559 CB VAL A 602 -0.241 -4.035 1.264 1.00 0.00 C ATOM 560 CG1 VAL A 602 0.655 -3.049 0.508 1.00 0.00 C ATOM 561 CG2 VAL A 602 0.606 -5.103 1.969 1.00 0.00 C ATOM 0 H VAL A 602 0.555 -2.787 3.343 1.00 0.00 H new ATOM 0 HA VAL A 602 -1.768 -2.577 1.666 1.00 0.00 H new ATOM 0 HB VAL A 602 -0.880 -4.555 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.303 -3.597 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 602 0.035 -2.354 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 602 1.266 -2.494 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 602 1.241 -5.604 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 602 1.229 -4.630 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 602 -0.050 -5.834 2.442 1.00 0.00 H new ATOM 571 N LEU A 603 -2.137 -4.353 4.242 1.00 0.00 N ATOM 572 CA LEU A 603 -3.076 -5.178 5.013 1.00 0.00 C ATOM 573 C LEU A 603 -4.323 -4.402 5.482 1.00 0.00 C ATOM 574 O LEU A 603 -5.417 -4.973 5.475 1.00 0.00 O ATOM 575 CB LEU A 603 -2.361 -5.795 6.224 1.00 0.00 C ATOM 576 CG LEU A 603 -1.263 -6.828 5.919 1.00 0.00 C ATOM 577 CD1 LEU A 603 -0.788 -7.424 7.245 1.00 0.00 C ATOM 578 CD2 LEU A 603 -1.749 -7.979 5.032 1.00 0.00 C ATOM 0 H LEU A 603 -1.453 -3.868 4.824 1.00 0.00 H new ATOM 0 HA LEU A 603 -3.426 -5.962 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 603 -1.917 -4.987 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 603 -3.110 -6.270 6.857 1.00 0.00 H new ATOM 0 HG LEU A 603 -0.468 -6.310 5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 603 -0.008 -8.161 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 603 -0.391 -6.631 7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 603 -1.626 -7.906 7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 603 -0.928 -8.673 4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 603 -2.565 -8.503 5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 603 -2.101 -7.581 4.080 1.00 0.00 H new ATOM 590 N CYS A 604 -4.173 -3.129 5.885 1.00 0.00 N ATOM 591 CA CYS A 604 -5.242 -2.314 6.488 1.00 0.00 C ATOM 592 C CYS A 604 -5.543 -0.967 5.788 1.00 0.00 C ATOM 593 O CYS A 604 -6.473 -0.259 6.186 1.00 0.00 O ATOM 594 CB CYS A 604 -5.017 -2.188 8.002 1.00 0.00 C ATOM 595 SG CYS A 604 -3.513 -1.293 8.469 1.00 0.00 S ATOM 0 H CYS A 604 -3.289 -2.628 5.799 1.00 0.00 H new ATOM 0 HA CYS A 604 -6.170 -2.861 6.318 1.00 0.00 H new ATOM 0 HB2 CYS A 604 -5.876 -1.683 8.443 1.00 0.00 H new ATOM 0 HB3 CYS A 604 -4.978 -3.188 8.435 1.00 0.00 H new ATOM 600 N LEU A 605 -4.827 -0.657 4.705 1.00 0.00 N ATOM 601 CA LEU A 605 -5.071 0.468 3.782 1.00 0.00 C ATOM 602 C LEU A 605 -5.071 1.865 4.440 1.00 0.00 C ATOM 603 O LEU A 605 -5.769 2.782 3.999 1.00 0.00 O ATOM 604 CB LEU A 605 -6.302 0.176 2.890 1.00 0.00 C ATOM 605 CG LEU A 605 -6.093 -0.945 1.855 1.00 0.00 C ATOM 606 CD1 LEU A 605 -7.420 -1.251 1.157 1.00 0.00 C ATOM 607 CD2 LEU A 605 -5.081 -0.544 0.777 1.00 0.00 C ATOM 0 H LEU A 605 -4.016 -1.210 4.428 1.00 0.00 H new ATOM 0 HA LEU A 605 -4.203 0.532 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 605 -7.143 -0.091 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 605 -6.579 1.090 2.365 1.00 0.00 H new ATOM 0 HG LEU A 605 -5.716 -1.815 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 605 -7.271 -2.044 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 605 -8.154 -1.572 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 605 -7.781 -0.355 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 605 -4.962 -1.362 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 605 -5.439 0.342 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 605 -4.120 -0.326 1.243 1.00 0.00 H new ATOM 619 N CYS A 606 -4.244 2.041 5.472 1.00 0.00 N ATOM 620 CA CYS A 606 -3.928 3.335 6.087 1.00 0.00 C ATOM 621 C CYS A 606 -2.451 3.690 5.852 1.00 0.00 C ATOM 622 O CYS A 606 -1.688 2.882 5.313 1.00 0.00 O ATOM 623 CB CYS A 606 -4.296 3.292 7.579 1.00 0.00 C ATOM 624 SG CYS A 606 -6.096 3.125 7.772 1.00 0.00 S ATOM 0 H CYS A 606 -3.759 1.263 5.919 1.00 0.00 H new ATOM 0 HA CYS A 606 -4.517 4.126 5.623 1.00 0.00 H new ATOM 0 HB2 CYS A 606 -3.791 2.456 8.062 1.00 0.00 H new ATOM 0 HB3 CYS A 606 -3.952 4.201 8.073 1.00 0.00 H new ATOM 0 HG CYS A 606 -6.469 3.697 8.878 1.00 0.00 H new ATOM 630 N ALA A 607 -2.038 4.895 6.258 1.00 0.00 N ATOM 631 CA ALA A 607 -0.644 5.337 6.164 1.00 0.00 C ATOM 632 C ALA A 607 0.310 4.310 6.809 1.00 0.00 C ATOM 633 O ALA A 607 0.040 3.788 7.895 1.00 0.00 O ATOM 634 CB ALA A 607 -0.510 6.721 6.809 1.00 0.00 C ATOM 0 H ALA A 607 -2.663 5.593 6.662 1.00 0.00 H new ATOM 0 HA ALA A 607 -0.359 5.412 5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 607 0.525 7.055 6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 607 -1.154 7.429 6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 607 -0.806 6.664 7.857 1.00 0.00 H new ATOM 640 N TYR A 608 1.408 3.999 6.116 1.00 0.00 N ATOM 641 CA TYR A 608 2.314 2.901 6.456 1.00 0.00 C ATOM 642 C TYR A 608 2.869 3.004 7.885 1.00 0.00 C ATOM 643 O TYR A 608 3.375 4.053 8.296 1.00 0.00 O ATOM 644 CB TYR A 608 3.443 2.870 5.427 1.00 0.00 C ATOM 645 CG TYR A 608 4.417 1.724 5.596 1.00 0.00 C ATOM 646 CD1 TYR A 608 4.014 0.417 5.265 1.00 0.00 C ATOM 647 CD2 TYR A 608 5.737 1.972 6.021 1.00 0.00 C ATOM 648 CE1 TYR A 608 4.951 -0.630 5.276 1.00 0.00 C ATOM 649 CE2 TYR A 608 6.678 0.926 6.034 1.00 0.00 C ATOM 650 CZ TYR A 608 6.295 -0.365 5.614 1.00 0.00 C ATOM 651 OH TYR A 608 7.241 -1.319 5.414 1.00 0.00 O ATOM 0 H TYR A 608 1.698 4.515 5.285 1.00 0.00 H new ATOM 0 HA TYR A 608 1.751 1.968 6.428 1.00 0.00 H new ATOM 0 HB2 TYR A 608 3.007 2.815 4.430 1.00 0.00 H new ATOM 0 HB3 TYR A 608 3.994 3.809 5.483 1.00 0.00 H new ATOM 0 HD1 TYR A 608 2.985 0.219 5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 608 6.026 2.964 6.336 1.00 0.00 H new ATOM 0 HE1 TYR A 608 4.643 -1.635 5.026 1.00 0.00 H new ATOM 0 HE2 TYR A 608 7.690 1.111 6.364 1.00 0.00 H new ATOM 0 HH TYR A 608 6.823 -2.120 5.034 1.00 0.00 H new ATOM 661 N HIS A 609 2.775 1.901 8.636 1.00 0.00 N ATOM 662 CA HIS A 609 3.052 1.851 10.078 1.00 0.00 C ATOM 663 C HIS A 609 4.152 0.846 10.482 1.00 0.00 C ATOM 664 O HIS A 609 4.273 0.480 11.654 1.00 0.00 O ATOM 665 CB HIS A 609 1.727 1.687 10.840 1.00 0.00 C ATOM 666 CG HIS A 609 1.001 0.395 10.559 1.00 0.00 C ATOM 667 ND1 HIS A 609 1.361 -0.848 11.018 1.00 0.00 N ATOM 668 CD2 HIS A 609 -0.152 0.238 9.836 1.00 0.00 C ATOM 669 CE1 HIS A 609 0.450 -1.736 10.602 1.00 0.00 C ATOM 670 NE2 HIS A 609 -0.498 -1.129 9.851 1.00 0.00 N ATOM 0 H HIS A 609 2.498 0.998 8.251 1.00 0.00 H new ATOM 0 HA HIS A 609 3.496 2.802 10.372 1.00 0.00 H new ATOM 0 HB2 HIS A 609 1.927 1.752 11.910 1.00 0.00 H new ATOM 0 HB3 HIS A 609 1.071 2.520 10.587 1.00 0.00 H new ATOM 0 HD1 HIS A 609 2.185 -1.059 11.581 1.00 0.00 H new ATOM 0 HD2 HIS A 609 -0.701 1.025 9.340 1.00 0.00 H new ATOM 0 HE1 HIS A 609 0.469 -2.791 10.834 1.00 0.00 H new ATOM 678 N GLY A 610 4.969 0.408 9.517 1.00 0.00 N ATOM 679 CA GLY A 610 6.184 -0.388 9.742 1.00 0.00 C ATOM 680 C GLY A 610 5.966 -1.638 10.607 1.00 0.00 C ATOM 681 O GLY A 610 5.223 -2.548 10.228 1.00 0.00 O ATOM 0 H GLY A 610 4.800 0.602 8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 610 6.589 -0.694 8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 610 6.935 0.243 10.217 1.00 0.00 H new ATOM 685 N SER A 611 6.621 -1.676 11.771 1.00 0.00 N ATOM 686 CA SER A 611 6.603 -2.814 12.715 1.00 0.00 C ATOM 687 C SER A 611 5.401 -2.832 13.680 1.00 0.00 C ATOM 688 O SER A 611 5.248 -3.792 14.440 1.00 0.00 O ATOM 689 CB SER A 611 7.907 -2.837 13.527 1.00 0.00 C ATOM 690 OG SER A 611 9.041 -2.867 12.669 1.00 0.00 O ATOM 0 H SER A 611 7.196 -0.899 12.098 1.00 0.00 H new ATOM 0 HA SER A 611 6.506 -3.706 12.096 1.00 0.00 H new ATOM 0 HB2 SER A 611 7.955 -1.957 14.169 1.00 0.00 H new ATOM 0 HB3 SER A 611 7.918 -3.709 14.180 1.00 0.00 H new ATOM 0 HG SER A 611 9.859 -2.879 13.208 1.00 0.00 H new ATOM 696 N GLU A 612 4.543 -1.804 13.681 1.00 0.00 N ATOM 697 CA GLU A 612 3.309 -1.778 14.489 1.00 0.00 C ATOM 698 C GLU A 612 2.217 -2.702 13.908 1.00 0.00 C ATOM 699 O GLU A 612 2.271 -3.087 12.738 1.00 0.00 O ATOM 700 CB GLU A 612 2.783 -0.339 14.639 1.00 0.00 C ATOM 701 CG GLU A 612 3.783 0.590 15.345 1.00 0.00 C ATOM 702 CD GLU A 612 3.159 1.971 15.624 1.00 0.00 C ATOM 703 OE1 GLU A 612 2.460 2.128 16.656 1.00 0.00 O ATOM 704 OE2 GLU A 612 3.377 2.919 14.830 1.00 0.00 O ATOM 0 H GLU A 612 4.682 -0.963 13.121 1.00 0.00 H new ATOM 0 HA GLU A 612 3.563 -2.159 15.478 1.00 0.00 H new ATOM 0 HB2 GLU A 612 2.554 0.064 13.652 1.00 0.00 H new ATOM 0 HB3 GLU A 612 1.849 -0.355 15.201 1.00 0.00 H new ATOM 0 HG2 GLU A 612 4.105 0.137 16.283 1.00 0.00 H new ATOM 0 HG3 GLU A 612 4.673 0.708 14.727 1.00 0.00 H new ATOM 711 N ASP A 613 1.209 -3.057 14.711 1.00 0.00 N ATOM 712 CA ASP A 613 0.083 -3.905 14.283 1.00 0.00 C ATOM 713 C ASP A 613 -1.014 -3.118 13.530 1.00 0.00 C ATOM 714 O ASP A 613 -1.154 -1.899 13.680 1.00 0.00 O ATOM 715 CB ASP A 613 -0.487 -4.653 15.499 1.00 0.00 C ATOM 716 CG ASP A 613 -1.421 -5.825 15.146 1.00 0.00 C ATOM 717 OD1 ASP A 613 -1.309 -6.400 14.037 1.00 0.00 O ATOM 718 OD2 ASP A 613 -2.248 -6.203 16.009 1.00 0.00 O ATOM 0 H ASP A 613 1.148 -2.763 15.686 1.00 0.00 H new ATOM 0 HA ASP A 613 0.466 -4.629 13.564 1.00 0.00 H new ATOM 0 HB2 ASP A 613 0.341 -5.032 16.098 1.00 0.00 H new ATOM 0 HB3 ASP A 613 -1.033 -3.945 16.122 1.00 0.00 H new ATOM 723 N CYS A 614 -1.799 -3.834 12.724 1.00 0.00 N ATOM 724 CA CYS A 614 -2.883 -3.312 11.886 1.00 0.00 C ATOM 725 C CYS A 614 -4.205 -3.089 12.655 1.00 0.00 C ATOM 726 O CYS A 614 -4.368 -3.493 13.813 1.00 0.00 O ATOM 727 CB CYS A 614 -3.085 -4.272 10.701 1.00 0.00 C ATOM 728 SG CYS A 614 -1.678 -4.215 9.556 1.00 0.00 S ATOM 0 H CYS A 614 -1.692 -4.844 12.632 1.00 0.00 H new ATOM 0 HA CYS A 614 -2.590 -2.323 11.533 1.00 0.00 H new ATOM 0 HB2 CYS A 614 -3.213 -5.289 11.072 1.00 0.00 H new ATOM 0 HB3 CYS A 614 -4.000 -4.009 10.169 1.00 0.00 H new ATOM 733 N ARG A 615 -5.170 -2.457 11.972 1.00 0.00 N ATOM 734 CA ARG A 615 -6.533 -2.202 12.474 1.00 0.00 C ATOM 735 C ARG A 615 -7.273 -3.514 12.774 1.00 0.00 C ATOM 736 O ARG A 615 -7.302 -4.420 11.935 1.00 0.00 O ATOM 737 CB ARG A 615 -7.322 -1.350 11.463 1.00 0.00 C ATOM 738 CG ARG A 615 -6.621 -0.018 11.140 1.00 0.00 C ATOM 739 CD ARG A 615 -7.507 0.929 10.321 1.00 0.00 C ATOM 740 NE ARG A 615 -7.806 0.403 8.972 1.00 0.00 N ATOM 741 CZ ARG A 615 -8.954 -0.066 8.520 1.00 0.00 C ATOM 742 NH1 ARG A 615 -10.023 -0.162 9.262 1.00 0.00 N ATOM 743 NH2 ARG A 615 -9.044 -0.455 7.284 1.00 0.00 N ATOM 0 H ARG A 615 -5.023 -2.098 11.029 1.00 0.00 H new ATOM 0 HA ARG A 615 -6.451 -1.649 13.410 1.00 0.00 H new ATOM 0 HB2 ARG A 615 -7.458 -1.918 10.543 1.00 0.00 H new ATOM 0 HB3 ARG A 615 -8.316 -1.146 11.862 1.00 0.00 H new ATOM 0 HG2 ARG A 615 -6.333 0.472 12.070 1.00 0.00 H new ATOM 0 HG3 ARG A 615 -5.703 -0.219 10.588 1.00 0.00 H new ATOM 0 HD2 ARG A 615 -8.441 1.100 10.856 1.00 0.00 H new ATOM 0 HD3 ARG A 615 -7.011 1.895 10.229 1.00 0.00 H new ATOM 0 HE ARG A 615 -7.030 0.402 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 615 -9.994 0.132 10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 615 -10.887 -0.531 8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 615 -8.231 -0.397 6.671 1.00 0.00 H new ATOM 0 HH22 ARG A 615 -9.928 -0.819 6.927 1.00 0.00 H new ATOM 757 N ARG A 616 -7.866 -3.610 13.969 1.00 0.00 N ATOM 758 CA ARG A 616 -8.529 -4.816 14.511 1.00 0.00 C ATOM 759 C ARG A 616 -9.596 -4.479 15.564 1.00 0.00 C ATOM 760 O ARG A 616 -9.584 -3.384 16.134 1.00 0.00 O ATOM 761 CB ARG A 616 -7.460 -5.782 15.065 1.00 0.00 C ATOM 762 CG ARG A 616 -6.644 -5.217 16.245 1.00 0.00 C ATOM 763 CD ARG A 616 -5.422 -6.090 16.553 1.00 0.00 C ATOM 764 NE ARG A 616 -5.790 -7.424 17.067 1.00 0.00 N ATOM 765 CZ ARG A 616 -4.975 -8.454 17.216 1.00 0.00 C ATOM 766 NH1 ARG A 616 -3.708 -8.392 16.922 1.00 0.00 N ATOM 767 NH2 ARG A 616 -5.426 -9.587 17.674 1.00 0.00 N ATOM 0 H ARG A 616 -7.902 -2.822 14.616 1.00 0.00 H new ATOM 0 HA ARG A 616 -9.064 -5.306 13.698 1.00 0.00 H new ATOM 0 HB2 ARG A 616 -7.949 -6.702 15.385 1.00 0.00 H new ATOM 0 HB3 ARG A 616 -6.775 -6.048 14.260 1.00 0.00 H new ATOM 0 HG2 ARG A 616 -6.319 -4.203 16.011 1.00 0.00 H new ATOM 0 HG3 ARG A 616 -7.278 -5.152 17.129 1.00 0.00 H new ATOM 0 HD2 ARG A 616 -4.826 -6.206 15.648 1.00 0.00 H new ATOM 0 HD3 ARG A 616 -4.794 -5.583 17.286 1.00 0.00 H new ATOM 0 HE ARG A 616 -6.765 -7.564 17.332 1.00 0.00 H new ATOM 0 HH11 ARG A 616 -3.310 -7.525 16.562 1.00 0.00 H new ATOM 0 HH12 ARG A 616 -3.114 -9.211 17.052 1.00 0.00 H new ATOM 0 HH21 ARG A 616 -6.412 -9.682 17.919 1.00 0.00 H new ATOM 0 HH22 ARG A 616 -4.794 -10.379 17.787 1.00 0.00 H new ATOM 781 N GLY A 617 -10.494 -5.434 15.832 1.00 0.00 N ATOM 782 CA GLY A 617 -11.617 -5.309 16.781 1.00 0.00 C ATOM 783 C GLY A 617 -12.701 -4.329 16.323 1.00 0.00 C ATOM 784 O GLY A 617 -13.128 -3.488 17.146 1.00 0.00 O ATOM 785 OXT GLY A 617 -13.137 -4.424 15.153 1.00 0.00 O ATOM 0 H GLY A 617 -10.462 -6.348 15.381 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -12.066 -6.291 16.930 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -11.231 -4.985 17.747 1.00 0.00 H new TER 789 GLY A 617 HETATM 790 ZN ZN A 701 -2.537 7.644 -5.034 1.00 0.00 ZN HETATM 791 ZN ZN A 702 -1.570 -2.238 8.668 1.00 0.00 ZN