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 Set 1.1: A 581 LYS NZ :NH3+ -175:sc= 0.915 (180deg=0) USER MOD Set 1.2: A 583 GLN : amide:sc= 0.793 K(o=1.7,f=-2.2) USER MOD Single : A 566 THR OG1 : rot 39:sc= 0.209 USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= 0.914 K(o=0.91,f=0) USER MOD Single : A 578 SER OG : rot 180:sc= -0.014 USER MOD Single : A 582 TYR OH : rot 180:sc= -0.233 USER MOD Single : A 585 HIS : no HD1:sc= 0.267 K(o=0.27,f=-2.6!) USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ -153:sc= 0.988 (180deg=0.539) USER MOD Single : A 592 SER OG : rot 136:sc= 1.22 USER MOD Single : A 606 CYS SG : rot 57:sc= 1.09 USER MOD Single : A 608 TYR OH : rot 4:sc= 0.0265 USER MOD Single : A 611 SER OG : rot 180:sc=0.000444 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 566 -5.819 -8.490 -16.992 1.00 0.00 N ATOM 2 CA THR A 566 -4.557 -8.157 -16.286 1.00 0.00 C ATOM 3 C THR A 566 -4.282 -9.157 -15.171 1.00 0.00 C ATOM 4 O THR A 566 -5.181 -9.473 -14.393 1.00 0.00 O ATOM 5 CB THR A 566 -4.596 -6.728 -15.732 1.00 0.00 C ATOM 6 OG1 THR A 566 -4.927 -5.860 -16.792 1.00 0.00 O ATOM 7 CG2 THR A 566 -3.257 -6.253 -15.164 1.00 0.00 C ATOM 0 HA THR A 566 -3.743 -8.217 -17.009 1.00 0.00 H new ATOM 0 HB THR A 566 -5.324 -6.722 -14.921 1.00 0.00 H new ATOM 0 HG1 THR A 566 -5.597 -6.286 -17.366 1.00 0.00 H new ATOM 0 HG21 THR A 566 -3.361 -5.234 -14.791 1.00 0.00 H new ATOM 0 HG22 THR A 566 -2.955 -6.909 -14.348 1.00 0.00 H new ATOM 0 HG23 THR A 566 -2.500 -6.277 -15.948 1.00 0.00 H new ATOM 15 N ASP A 567 -3.046 -9.665 -15.084 1.00 0.00 N ATOM 16 CA ASP A 567 -2.620 -10.697 -14.113 1.00 0.00 C ATOM 17 C ASP A 567 -1.462 -10.236 -13.191 1.00 0.00 C ATOM 18 O ASP A 567 -0.886 -11.027 -12.443 1.00 0.00 O ATOM 19 CB ASP A 567 -2.286 -11.979 -14.897 1.00 0.00 C ATOM 20 CG ASP A 567 -2.139 -13.226 -14.004 1.00 0.00 C ATOM 21 OD1 ASP A 567 -3.078 -13.538 -13.230 1.00 0.00 O ATOM 22 OD2 ASP A 567 -1.110 -13.940 -14.118 1.00 0.00 O ATOM 0 H ASP A 567 -2.290 -9.366 -15.700 1.00 0.00 H new ATOM 0 HA ASP A 567 -3.439 -10.893 -13.421 1.00 0.00 H new ATOM 0 HB2 ASP A 567 -3.069 -12.160 -15.633 1.00 0.00 H new ATOM 0 HB3 ASP A 567 -1.359 -11.826 -15.449 1.00 0.00 H new ATOM 27 N GLU A 568 -1.106 -8.948 -13.234 1.00 0.00 N ATOM 28 CA GLU A 568 -0.024 -8.354 -12.434 1.00 0.00 C ATOM 29 C GLU A 568 -0.404 -8.177 -10.951 1.00 0.00 C ATOM 30 O GLU A 568 -1.555 -7.878 -10.616 1.00 0.00 O ATOM 31 CB GLU A 568 0.399 -6.996 -13.028 1.00 0.00 C ATOM 32 CG GLU A 568 0.906 -7.064 -14.479 1.00 0.00 C ATOM 33 CD GLU A 568 2.118 -8.004 -14.646 1.00 0.00 C ATOM 34 OE1 GLU A 568 3.164 -7.778 -13.991 1.00 0.00 O ATOM 35 OE2 GLU A 568 2.036 -8.971 -15.441 1.00 0.00 O ATOM 0 H GLU A 568 -1.572 -8.272 -13.839 1.00 0.00 H new ATOM 0 HA GLU A 568 0.812 -9.053 -12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 568 -0.451 -6.315 -12.985 1.00 0.00 H new ATOM 0 HB3 GLU A 568 1.183 -6.568 -12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 568 0.097 -7.403 -15.126 1.00 0.00 H new ATOM 0 HG3 GLU A 568 1.180 -6.063 -14.810 1.00 0.00 H new ATOM 42 N ALA A 569 0.582 -8.299 -10.057 1.00 0.00 N ATOM 43 CA ALA A 569 0.445 -8.002 -8.634 1.00 0.00 C ATOM 44 C ALA A 569 0.641 -6.501 -8.389 1.00 0.00 C ATOM 45 O ALA A 569 1.762 -6.036 -8.169 1.00 0.00 O ATOM 46 CB ALA A 569 1.440 -8.843 -7.826 1.00 0.00 C ATOM 0 H ALA A 569 1.518 -8.615 -10.312 1.00 0.00 H new ATOM 0 HA ALA A 569 -0.560 -8.264 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 569 1.332 -8.616 -6.766 1.00 0.00 H new ATOM 0 HB2 ALA A 569 1.241 -9.902 -7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 569 2.456 -8.610 -8.145 1.00 0.00 H new ATOM 52 N LEU A 570 -0.463 -5.755 -8.405 1.00 0.00 N ATOM 53 CA LEU A 570 -0.564 -4.347 -8.020 1.00 0.00 C ATOM 54 C LEU A 570 -1.921 -4.082 -7.346 1.00 0.00 C ATOM 55 O LEU A 570 -2.967 -4.475 -7.868 1.00 0.00 O ATOM 56 CB LEU A 570 -0.386 -3.434 -9.248 1.00 0.00 C ATOM 57 CG LEU A 570 0.988 -3.530 -9.936 1.00 0.00 C ATOM 58 CD1 LEU A 570 0.959 -2.727 -11.222 1.00 0.00 C ATOM 59 CD2 LEU A 570 2.134 -2.958 -9.101 1.00 0.00 C ATOM 0 H LEU A 570 -1.360 -6.137 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 570 0.232 -4.122 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -1.159 -3.677 -9.978 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -0.551 -2.401 -8.941 1.00 0.00 H new ATOM 0 HG LEU A 570 1.166 -4.593 -10.096 1.00 0.00 H new ATOM 0 HD11 LEU A 570 1.930 -2.792 -11.713 1.00 0.00 H new ATOM 0 HD12 LEU A 570 0.190 -3.127 -11.883 1.00 0.00 H new ATOM 0 HD13 LEU A 570 0.736 -1.684 -10.995 1.00 0.00 H new ATOM 0 HD21 LEU A 570 3.070 -3.060 -9.650 1.00 0.00 H new ATOM 0 HD22 LEU A 570 1.946 -1.904 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 570 2.204 -3.502 -8.159 1.00 0.00 H new ATOM 71 N LYS A 571 -1.898 -3.394 -6.201 1.00 0.00 N ATOM 72 CA LYS A 571 -3.094 -2.932 -5.473 1.00 0.00 C ATOM 73 C LYS A 571 -3.467 -1.480 -5.824 1.00 0.00 C ATOM 74 O LYS A 571 -2.582 -0.684 -6.152 1.00 0.00 O ATOM 75 CB LYS A 571 -2.915 -3.067 -3.951 1.00 0.00 C ATOM 76 CG LYS A 571 -2.848 -4.523 -3.471 1.00 0.00 C ATOM 77 CD LYS A 571 -2.826 -4.568 -1.936 1.00 0.00 C ATOM 78 CE LYS A 571 -2.865 -5.999 -1.383 1.00 0.00 C ATOM 79 NZ LYS A 571 -4.204 -6.632 -1.526 1.00 0.00 N ATOM 0 H LYS A 571 -1.027 -3.134 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 571 -3.911 -3.578 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 571 -2.002 -2.552 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 571 -3.742 -2.565 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 571 -3.707 -5.079 -3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 571 -1.956 -5.006 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 571 -1.927 -4.068 -1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 571 -3.678 -4.010 -1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 571 -2.123 -6.606 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 571 -2.584 -5.985 -0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 571 -4.175 -7.596 -1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 571 -4.910 -6.071 -1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 571 -4.463 -6.672 -2.532 1.00 0.00 H new ATOM 93 N PRO A 572 -4.752 -1.105 -5.706 1.00 0.00 N ATOM 94 CA PRO A 572 -5.197 0.279 -5.803 1.00 0.00 C ATOM 95 C PRO A 572 -4.799 1.087 -4.555 1.00 0.00 C ATOM 96 O PRO A 572 -4.987 0.645 -3.419 1.00 0.00 O ATOM 97 CB PRO A 572 -6.716 0.199 -5.965 1.00 0.00 C ATOM 98 CG PRO A 572 -7.092 -1.081 -5.217 1.00 0.00 C ATOM 99 CD PRO A 572 -5.873 -1.983 -5.406 1.00 0.00 C ATOM 0 HA PRO A 572 -4.731 0.797 -6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 572 -7.211 1.072 -5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 572 -7.005 0.149 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 572 -7.286 -0.886 -4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 572 -7.994 -1.535 -5.628 1.00 0.00 H new ATOM 0 HD2 PRO A 572 -5.679 -2.566 -4.506 1.00 0.00 H new ATOM 0 HD3 PRO A 572 -6.038 -2.693 -6.217 1.00 0.00 H new ATOM 107 N CYS A 573 -4.297 2.299 -4.778 1.00 0.00 N ATOM 108 CA CYS A 573 -4.024 3.305 -3.755 1.00 0.00 C ATOM 109 C CYS A 573 -5.293 3.668 -2.949 1.00 0.00 C ATOM 110 O CYS A 573 -6.351 3.928 -3.535 1.00 0.00 O ATOM 111 CB CYS A 573 -3.437 4.499 -4.508 1.00 0.00 C ATOM 112 SG CYS A 573 -3.352 6.070 -3.566 1.00 0.00 S ATOM 0 H CYS A 573 -4.059 2.620 -5.716 1.00 0.00 H new ATOM 0 HA CYS A 573 -3.326 2.939 -3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 573 -2.431 4.239 -4.836 1.00 0.00 H new ATOM 0 HB3 CYS A 573 -4.032 4.667 -5.406 1.00 0.00 H new ATOM 117 N PRO A 574 -5.219 3.724 -1.609 1.00 0.00 N ATOM 118 CA PRO A 574 -6.356 4.023 -0.737 1.00 0.00 C ATOM 119 C PRO A 574 -6.849 5.481 -0.846 1.00 0.00 C ATOM 120 O PRO A 574 -7.942 5.784 -0.360 1.00 0.00 O ATOM 121 CB PRO A 574 -5.864 3.673 0.673 1.00 0.00 C ATOM 122 CG PRO A 574 -4.368 3.926 0.578 1.00 0.00 C ATOM 123 CD PRO A 574 -4.025 3.475 -0.826 1.00 0.00 C ATOM 0 HA PRO A 574 -7.234 3.444 -1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -6.333 4.299 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -6.084 2.638 0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -4.128 4.978 0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -3.816 3.360 1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -3.173 4.029 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -3.755 2.419 -0.845 1.00 0.00 H new ATOM 131 N ARG A 575 -6.089 6.380 -1.495 1.00 0.00 N ATOM 132 CA ARG A 575 -6.496 7.770 -1.781 1.00 0.00 C ATOM 133 C ARG A 575 -7.157 7.949 -3.151 1.00 0.00 C ATOM 134 O ARG A 575 -8.217 8.573 -3.229 1.00 0.00 O ATOM 135 CB ARG A 575 -5.278 8.704 -1.716 1.00 0.00 C ATOM 136 CG ARG A 575 -4.842 9.099 -0.302 1.00 0.00 C ATOM 137 CD ARG A 575 -3.792 10.213 -0.418 1.00 0.00 C ATOM 138 NE ARG A 575 -3.454 10.809 0.886 1.00 0.00 N ATOM 139 CZ ARG A 575 -2.505 11.703 1.105 1.00 0.00 C ATOM 140 NH1 ARG A 575 -1.699 12.107 0.163 1.00 0.00 N ATOM 141 NH2 ARG A 575 -2.339 12.208 2.294 1.00 0.00 N ATOM 0 H ARG A 575 -5.156 6.158 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 575 -7.234 8.021 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 575 -4.440 8.219 -2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 575 -5.504 9.611 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 575 -5.699 9.443 0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 575 -4.427 8.238 0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 575 -2.888 9.810 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 575 -4.165 10.991 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 575 -4.001 10.505 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 575 -1.789 11.731 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 575 -0.979 12.799 0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 575 -2.943 11.914 3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 575 -1.605 12.897 2.457 1.00 0.00 H new ATOM 155 N CYS A 576 -6.526 7.431 -4.210 1.00 0.00 N ATOM 156 CA CYS A 576 -6.876 7.728 -5.607 1.00 0.00 C ATOM 157 C CYS A 576 -7.069 6.498 -6.518 1.00 0.00 C ATOM 158 O CYS A 576 -7.359 6.647 -7.709 1.00 0.00 O ATOM 159 CB CYS A 576 -5.832 8.713 -6.153 1.00 0.00 C ATOM 160 SG CYS A 576 -4.273 7.853 -6.495 1.00 0.00 S ATOM 0 H CYS A 576 -5.744 6.782 -4.121 1.00 0.00 H new ATOM 0 HA CYS A 576 -7.869 8.176 -5.612 1.00 0.00 H new ATOM 0 HB2 CYS A 576 -6.205 9.180 -7.064 1.00 0.00 H new ATOM 0 HB3 CYS A 576 -5.664 9.512 -5.431 1.00 0.00 H new ATOM 165 N GLN A 577 -6.921 5.289 -5.970 1.00 0.00 N ATOM 166 CA GLN A 577 -7.106 3.997 -6.646 1.00 0.00 C ATOM 167 C GLN A 577 -6.149 3.730 -7.832 1.00 0.00 C ATOM 168 O GLN A 577 -6.355 2.777 -8.587 1.00 0.00 O ATOM 169 CB GLN A 577 -8.595 3.757 -6.989 1.00 0.00 C ATOM 170 CG GLN A 577 -9.586 3.890 -5.815 1.00 0.00 C ATOM 171 CD GLN A 577 -9.641 2.655 -4.915 1.00 0.00 C ATOM 172 OE1 GLN A 577 -10.466 1.766 -5.088 1.00 0.00 O ATOM 173 NE2 GLN A 577 -8.784 2.532 -3.924 1.00 0.00 N ATOM 0 H GLN A 577 -6.655 5.176 -4.992 1.00 0.00 H new ATOM 0 HA GLN A 577 -6.806 3.240 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 577 -8.887 4.462 -7.767 1.00 0.00 H new ATOM 0 HB3 GLN A 577 -8.694 2.757 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 577 -9.309 4.755 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 577 -10.582 4.084 -6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 577 -8.087 3.259 -3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 577 -8.816 1.710 -3.321 1.00 0.00 H new ATOM 182 N SER A 578 -5.072 4.514 -7.981 1.00 0.00 N ATOM 183 CA SER A 578 -3.981 4.239 -8.926 1.00 0.00 C ATOM 184 C SER A 578 -3.317 2.879 -8.627 1.00 0.00 C ATOM 185 O SER A 578 -3.193 2.537 -7.446 1.00 0.00 O ATOM 186 CB SER A 578 -2.934 5.353 -8.812 1.00 0.00 C ATOM 187 OG SER A 578 -2.051 5.341 -9.913 1.00 0.00 O ATOM 0 H SER A 578 -4.933 5.368 -7.441 1.00 0.00 H new ATOM 0 HA SER A 578 -4.392 4.203 -9.935 1.00 0.00 H new ATOM 0 HB2 SER A 578 -3.434 6.320 -8.754 1.00 0.00 H new ATOM 0 HB3 SER A 578 -2.369 5.231 -7.888 1.00 0.00 H new ATOM 0 HG SER A 578 -1.396 6.063 -9.815 1.00 0.00 H new ATOM 193 N PRO A 579 -2.880 2.093 -9.634 1.00 0.00 N ATOM 194 CA PRO A 579 -2.155 0.835 -9.431 1.00 0.00 C ATOM 195 C PRO A 579 -0.755 1.108 -8.856 1.00 0.00 C ATOM 196 O PRO A 579 0.221 1.325 -9.579 1.00 0.00 O ATOM 197 CB PRO A 579 -2.123 0.152 -10.802 1.00 0.00 C ATOM 198 CG PRO A 579 -2.168 1.329 -11.775 1.00 0.00 C ATOM 199 CD PRO A 579 -3.061 2.340 -11.057 1.00 0.00 C ATOM 0 HA PRO A 579 -2.637 0.183 -8.702 1.00 0.00 H new ATOM 0 HB2 PRO A 579 -1.221 -0.446 -10.934 1.00 0.00 H new ATOM 0 HB3 PRO A 579 -2.972 -0.517 -10.939 1.00 0.00 H new ATOM 0 HG2 PRO A 579 -1.174 1.733 -11.965 1.00 0.00 H new ATOM 0 HG3 PRO A 579 -2.583 1.038 -12.740 1.00 0.00 H new ATOM 0 HD2 PRO A 579 -2.780 3.361 -11.315 1.00 0.00 H new ATOM 0 HD3 PRO A 579 -4.104 2.214 -11.346 1.00 0.00 H new ATOM 207 N ALA A 580 -0.680 1.131 -7.529 1.00 0.00 N ATOM 208 CA ALA A 580 0.482 1.514 -6.740 1.00 0.00 C ATOM 209 C ALA A 580 1.598 0.454 -6.784 1.00 0.00 C ATOM 210 O ALA A 580 1.318 -0.746 -6.842 1.00 0.00 O ATOM 211 CB ALA A 580 -0.016 1.743 -5.309 1.00 0.00 C ATOM 0 H ALA A 580 -1.473 0.868 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 580 0.931 2.419 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 580 0.821 2.034 -4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 580 -0.765 2.535 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 580 -0.459 0.824 -4.926 1.00 0.00 H new ATOM 217 N LYS A 581 2.861 0.896 -6.693 1.00 0.00 N ATOM 218 CA LYS A 581 4.068 0.052 -6.616 1.00 0.00 C ATOM 219 C LYS A 581 3.956 -0.867 -5.399 1.00 0.00 C ATOM 220 O LYS A 581 4.089 -0.424 -4.257 1.00 0.00 O ATOM 221 CB LYS A 581 5.316 0.960 -6.553 1.00 0.00 C ATOM 222 CG LYS A 581 6.647 0.301 -6.959 1.00 0.00 C ATOM 223 CD LYS A 581 7.172 -0.784 -6.006 1.00 0.00 C ATOM 224 CE LYS A 581 8.583 -1.203 -6.447 1.00 0.00 C ATOM 225 NZ LYS A 581 9.157 -2.266 -5.580 1.00 0.00 N ATOM 0 H LYS A 581 3.081 1.892 -6.670 1.00 0.00 H new ATOM 0 HA LYS A 581 4.162 -0.578 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 581 5.148 1.822 -7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 581 5.415 1.338 -5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 581 6.526 -0.139 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 581 7.405 1.080 -7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 581 7.194 -0.407 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 581 6.505 -1.646 -6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 581 8.548 -1.558 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 581 9.239 -0.332 -6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 581 10.139 -2.454 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 581 9.138 -1.953 -4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 581 8.595 -3.136 -5.679 1.00 0.00 H new ATOM 239 N TYR A 582 3.669 -2.140 -5.653 1.00 0.00 N ATOM 240 CA TYR A 582 3.317 -3.111 -4.621 1.00 0.00 C ATOM 241 C TYR A 582 4.571 -3.798 -4.062 1.00 0.00 C ATOM 242 O TYR A 582 5.414 -4.277 -4.824 1.00 0.00 O ATOM 243 CB TYR A 582 2.320 -4.119 -5.213 1.00 0.00 C ATOM 244 CG TYR A 582 1.613 -5.060 -4.252 1.00 0.00 C ATOM 245 CD1 TYR A 582 1.611 -4.866 -2.856 1.00 0.00 C ATOM 246 CD2 TYR A 582 0.963 -6.181 -4.793 1.00 0.00 C ATOM 247 CE1 TYR A 582 1.040 -5.831 -2.008 1.00 0.00 C ATOM 248 CE2 TYR A 582 0.369 -7.140 -3.952 1.00 0.00 C ATOM 249 CZ TYR A 582 0.413 -6.972 -2.553 1.00 0.00 C ATOM 250 OH TYR A 582 -0.146 -7.912 -1.742 1.00 0.00 O ATOM 0 H TYR A 582 3.674 -2.532 -6.595 1.00 0.00 H new ATOM 0 HA TYR A 582 2.844 -2.604 -3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 582 1.558 -3.559 -5.755 1.00 0.00 H new ATOM 0 HB3 TYR A 582 2.852 -4.726 -5.946 1.00 0.00 H new ATOM 0 HD1 TYR A 582 2.050 -3.973 -2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 582 0.919 -6.308 -5.865 1.00 0.00 H new ATOM 0 HE1 TYR A 582 1.081 -5.699 -0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 582 -0.120 -8.004 -4.378 1.00 0.00 H new ATOM 0 HH TYR A 582 -0.533 -8.627 -2.289 1.00 0.00 H new ATOM 260 N GLN A 583 4.703 -3.837 -2.733 1.00 0.00 N ATOM 261 CA GLN A 583 5.858 -4.393 -2.021 1.00 0.00 C ATOM 262 C GLN A 583 5.400 -5.404 -0.944 1.00 0.00 C ATOM 263 O GLN A 583 5.542 -5.146 0.256 1.00 0.00 O ATOM 264 CB GLN A 583 6.722 -3.236 -1.462 1.00 0.00 C ATOM 265 CG GLN A 583 6.861 -2.027 -2.416 1.00 0.00 C ATOM 266 CD GLN A 583 8.157 -1.251 -2.234 1.00 0.00 C ATOM 267 OE1 GLN A 583 9.200 -1.633 -2.746 1.00 0.00 O ATOM 268 NE2 GLN A 583 8.143 -0.122 -1.562 1.00 0.00 N ATOM 0 H GLN A 583 3.988 -3.472 -2.104 1.00 0.00 H new ATOM 0 HA GLN A 583 6.488 -4.960 -2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 583 6.287 -2.895 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 583 7.716 -3.619 -1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 583 6.800 -2.379 -3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 583 6.019 -1.353 -2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 583 7.278 0.205 -1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 583 8.997 0.428 -1.471 1.00 0.00 H new ATOM 277 N PRO A 584 4.812 -6.554 -1.335 1.00 0.00 N ATOM 278 CA PRO A 584 4.233 -7.541 -0.410 1.00 0.00 C ATOM 279 C PRO A 584 5.254 -8.218 0.518 1.00 0.00 C ATOM 280 O PRO A 584 4.882 -8.702 1.589 1.00 0.00 O ATOM 281 CB PRO A 584 3.531 -8.573 -1.300 1.00 0.00 C ATOM 282 CG PRO A 584 4.240 -8.450 -2.646 1.00 0.00 C ATOM 283 CD PRO A 584 4.622 -6.983 -2.714 1.00 0.00 C ATOM 0 HA PRO A 584 3.552 -7.038 0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 584 3.623 -9.579 -0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 584 2.465 -8.362 -1.390 1.00 0.00 H new ATOM 0 HG2 PRO A 584 5.117 -9.096 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 584 3.586 -8.733 -3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 584 5.534 -6.844 -3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 584 3.841 -6.398 -3.201 1.00 0.00 H new ATOM 291 N HIS A 585 6.541 -8.209 0.161 1.00 0.00 N ATOM 292 CA HIS A 585 7.661 -8.648 1.007 1.00 0.00 C ATOM 293 C HIS A 585 7.965 -7.681 2.165 1.00 0.00 C ATOM 294 O HIS A 585 8.495 -8.101 3.196 1.00 0.00 O ATOM 295 CB HIS A 585 8.898 -8.855 0.116 1.00 0.00 C ATOM 296 CG HIS A 585 9.403 -7.619 -0.600 1.00 0.00 C ATOM 297 ND1 HIS A 585 8.622 -6.691 -1.304 1.00 0.00 N ATOM 298 CD2 HIS A 585 10.716 -7.270 -0.732 1.00 0.00 C ATOM 299 CE1 HIS A 585 9.487 -5.817 -1.846 1.00 0.00 C ATOM 300 NE2 HIS A 585 10.748 -6.139 -1.516 1.00 0.00 N ATOM 0 H HIS A 585 6.846 -7.885 -0.757 1.00 0.00 H new ATOM 0 HA HIS A 585 7.377 -9.586 1.483 1.00 0.00 H new ATOM 0 HB2 HIS A 585 9.705 -9.251 0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 585 8.664 -9.615 -0.630 1.00 0.00 H new ATOM 0 HD2 HIS A 585 11.565 -7.782 -0.304 1.00 0.00 H new ATOM 0 HE1 HIS A 585 9.207 -4.974 -2.461 1.00 0.00 H new ATOM 0 HE2 HIS A 585 11.587 -5.632 -1.798 1.00 0.00 H new ATOM 308 N LYS A 586 7.587 -6.403 2.018 1.00 0.00 N ATOM 309 CA LYS A 586 7.669 -5.339 3.040 1.00 0.00 C ATOM 310 C LYS A 586 6.300 -4.957 3.631 1.00 0.00 C ATOM 311 O LYS A 586 6.234 -4.164 4.570 1.00 0.00 O ATOM 312 CB LYS A 586 8.354 -4.107 2.417 1.00 0.00 C ATOM 313 CG LYS A 586 9.808 -4.392 2.010 1.00 0.00 C ATOM 314 CD LYS A 586 10.466 -3.143 1.412 1.00 0.00 C ATOM 315 CE LYS A 586 11.928 -3.446 1.060 1.00 0.00 C ATOM 316 NZ LYS A 586 12.604 -2.266 0.457 1.00 0.00 N ATOM 0 H LYS A 586 7.195 -6.062 1.140 1.00 0.00 H new ATOM 0 HA LYS A 586 8.256 -5.723 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 586 7.790 -3.785 1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 586 8.334 -3.283 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 586 10.374 -4.725 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 586 9.834 -5.204 1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 586 9.925 -2.827 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 586 10.417 -2.318 2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 586 12.463 -3.752 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 586 11.969 -4.284 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 13.590 -2.508 0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 12.108 -1.990 -0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 12.587 -1.474 1.131 1.00 0.00 H new ATOM 330 N LYS A 587 5.210 -5.505 3.075 1.00 0.00 N ATOM 331 CA LYS A 587 3.804 -5.114 3.311 1.00 0.00 C ATOM 332 C LYS A 587 3.557 -3.607 3.109 1.00 0.00 C ATOM 333 O LYS A 587 2.780 -2.982 3.832 1.00 0.00 O ATOM 334 CB LYS A 587 3.282 -5.680 4.650 1.00 0.00 C ATOM 335 CG LYS A 587 3.235 -7.217 4.700 1.00 0.00 C ATOM 336 CD LYS A 587 2.276 -7.816 3.654 1.00 0.00 C ATOM 337 CE LYS A 587 2.067 -9.326 3.815 1.00 0.00 C ATOM 338 NZ LYS A 587 3.325 -10.087 3.586 1.00 0.00 N ATOM 0 H LYS A 587 5.285 -6.276 2.411 1.00 0.00 H new ATOM 0 HA LYS A 587 3.195 -5.581 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 587 3.918 -5.319 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 587 2.281 -5.289 4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 587 4.237 -7.613 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 587 2.925 -7.535 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 587 1.312 -7.313 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 587 2.667 -7.615 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 587 1.693 -9.536 4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 587 1.305 -9.664 3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 587 3.095 -11.045 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 587 3.900 -9.599 2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 587 3.860 -10.149 4.476 1.00 0.00 H new ATOM 352 N ARG A 588 4.205 -3.041 2.086 1.00 0.00 N ATOM 353 CA ARG A 588 4.180 -1.611 1.734 1.00 0.00 C ATOM 354 C ARG A 588 3.612 -1.405 0.329 1.00 0.00 C ATOM 355 O ARG A 588 3.774 -2.259 -0.543 1.00 0.00 O ATOM 356 CB ARG A 588 5.605 -1.045 1.900 1.00 0.00 C ATOM 357 CG ARG A 588 5.665 0.484 1.972 1.00 0.00 C ATOM 358 CD ARG A 588 7.102 0.956 2.224 1.00 0.00 C ATOM 359 NE ARG A 588 7.145 2.400 2.500 1.00 0.00 N ATOM 360 CZ ARG A 588 8.216 3.126 2.759 1.00 0.00 C ATOM 361 NH1 ARG A 588 9.424 2.642 2.668 1.00 0.00 N ATOM 362 NH2 ARG A 588 8.094 4.364 3.126 1.00 0.00 N ATOM 0 H ARG A 588 4.787 -3.587 1.451 1.00 0.00 H new ATOM 0 HA ARG A 588 3.515 -1.063 2.402 1.00 0.00 H new ATOM 0 HB2 ARG A 588 6.045 -1.459 2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 588 6.219 -1.383 1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.294 0.912 1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 588 5.014 0.842 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 588 7.525 0.409 3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 588 7.720 0.730 1.355 1.00 0.00 H new ATOM 0 HE ARG A 588 6.252 2.893 2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 588 9.565 1.671 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 588 10.228 3.234 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 588 7.167 4.780 3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 588 8.925 4.921 3.325 1.00 0.00 H new ATOM 376 N GLY A 589 2.957 -0.275 0.097 1.00 0.00 N ATOM 377 CA GLY A 589 2.470 0.134 -1.219 1.00 0.00 C ATOM 378 C GLY A 589 2.675 1.636 -1.428 1.00 0.00 C ATOM 379 O GLY A 589 2.359 2.427 -0.537 1.00 0.00 O ATOM 0 H GLY A 589 2.744 0.399 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 589 2.996 -0.421 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 589 1.412 -0.110 -1.313 1.00 0.00 H new ATOM 383 N LEU A 590 3.238 2.024 -2.579 1.00 0.00 N ATOM 384 CA LEU A 590 3.555 3.419 -2.917 1.00 0.00 C ATOM 385 C LEU A 590 2.808 3.886 -4.169 1.00 0.00 C ATOM 386 O LEU A 590 2.942 3.273 -5.229 1.00 0.00 O ATOM 387 CB LEU A 590 5.074 3.608 -3.099 1.00 0.00 C ATOM 388 CG LEU A 590 5.920 3.416 -1.830 1.00 0.00 C ATOM 389 CD1 LEU A 590 7.381 3.751 -2.125 1.00 0.00 C ATOM 390 CD2 LEU A 590 5.424 4.303 -0.692 1.00 0.00 C ATOM 0 H LEU A 590 3.491 1.366 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 590 3.222 4.036 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 590 5.422 2.906 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 590 5.254 4.611 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 590 5.829 2.374 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 590 7.975 3.613 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 590 7.754 3.092 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 590 7.457 4.787 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 590 6.044 4.143 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 590 5.484 5.349 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 590 4.389 4.052 -0.459 1.00 0.00 H new ATOM 402 N CYS A 591 2.045 4.974 -4.057 1.00 0.00 N ATOM 403 CA CYS A 591 1.196 5.463 -5.142 1.00 0.00 C ATOM 404 C CYS A 591 1.992 5.792 -6.421 1.00 0.00 C ATOM 405 O CYS A 591 3.090 6.360 -6.380 1.00 0.00 O ATOM 406 CB CYS A 591 0.386 6.668 -4.662 1.00 0.00 C ATOM 407 SG CYS A 591 -0.865 7.031 -5.918 1.00 0.00 S ATOM 0 H CYS A 591 1.999 5.541 -3.210 1.00 0.00 H new ATOM 0 HA CYS A 591 0.512 4.659 -5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 591 -0.086 6.453 -3.704 1.00 0.00 H new ATOM 0 HB3 CYS A 591 1.036 7.530 -4.511 1.00 0.00 H new ATOM 412 N SER A 592 1.396 5.451 -7.563 1.00 0.00 N ATOM 413 CA SER A 592 1.933 5.695 -8.904 1.00 0.00 C ATOM 414 C SER A 592 1.547 7.073 -9.471 1.00 0.00 C ATOM 415 O SER A 592 2.063 7.468 -10.521 1.00 0.00 O ATOM 416 CB SER A 592 1.510 4.551 -9.832 1.00 0.00 C ATOM 417 OG SER A 592 2.111 3.341 -9.397 1.00 0.00 O ATOM 0 H SER A 592 0.492 4.979 -7.582 1.00 0.00 H new ATOM 0 HA SER A 592 3.020 5.717 -8.833 1.00 0.00 H new ATOM 0 HB2 SER A 592 0.425 4.451 -9.832 1.00 0.00 H new ATOM 0 HB3 SER A 592 1.810 4.770 -10.857 1.00 0.00 H new ATOM 0 HG SER A 592 1.448 2.619 -9.421 1.00 0.00 H new ATOM 423 N ARG A 593 0.689 7.839 -8.775 1.00 0.00 N ATOM 424 CA ARG A 593 0.343 9.234 -9.079 1.00 0.00 C ATOM 425 C ARG A 593 1.230 10.194 -8.280 1.00 0.00 C ATOM 426 O ARG A 593 1.190 10.199 -7.050 1.00 0.00 O ATOM 427 CB ARG A 593 -1.155 9.423 -8.789 1.00 0.00 C ATOM 428 CG ARG A 593 -1.643 10.845 -9.107 1.00 0.00 C ATOM 429 CD ARG A 593 -3.129 11.130 -8.807 1.00 0.00 C ATOM 430 NE ARG A 593 -3.975 9.920 -8.767 1.00 0.00 N ATOM 431 CZ ARG A 593 -4.656 9.346 -9.737 1.00 0.00 C ATOM 432 NH1 ARG A 593 -4.686 9.808 -10.954 1.00 0.00 N ATOM 433 NH2 ARG A 593 -5.326 8.267 -9.464 1.00 0.00 N ATOM 0 H ARG A 593 0.199 7.487 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 593 0.526 9.463 -10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 593 -1.728 8.706 -9.377 1.00 0.00 H new ATOM 0 HB3 ARG A 593 -1.349 9.202 -7.739 1.00 0.00 H new ATOM 0 HG2 ARG A 593 -1.036 11.552 -8.541 1.00 0.00 H new ATOM 0 HG3 ARG A 593 -1.461 11.043 -10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 593 -3.204 11.645 -7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 593 -3.519 11.809 -9.565 1.00 0.00 H new ATOM 0 HE ARG A 593 -4.041 9.463 -7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 593 -4.166 10.653 -11.192 1.00 0.00 H new ATOM 0 HH12 ARG A 593 -5.230 9.325 -11.669 1.00 0.00 H new ATOM 0 HH21 ARG A 593 -5.315 7.886 -8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 593 -5.863 7.801 -10.196 1.00 0.00 H new ATOM 447 N LEU A 594 1.987 11.052 -8.966 1.00 0.00 N ATOM 448 CA LEU A 594 2.968 11.955 -8.334 1.00 0.00 C ATOM 449 C LEU A 594 2.322 13.070 -7.484 1.00 0.00 C ATOM 450 O LEU A 594 2.901 13.491 -6.481 1.00 0.00 O ATOM 451 CB LEU A 594 3.888 12.555 -9.416 1.00 0.00 C ATOM 452 CG LEU A 594 4.716 11.535 -10.225 1.00 0.00 C ATOM 453 CD1 LEU A 594 5.569 12.272 -11.258 1.00 0.00 C ATOM 454 CD2 LEU A 594 5.650 10.699 -9.346 1.00 0.00 C ATOM 0 H LEU A 594 1.941 11.145 -9.981 1.00 0.00 H new ATOM 0 HA LEU A 594 3.553 11.355 -7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 594 3.276 13.131 -10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 594 4.573 13.255 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 594 4.004 10.862 -10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 594 6.153 11.550 -11.829 1.00 0.00 H new ATOM 0 HD12 LEU A 594 4.921 12.830 -11.934 1.00 0.00 H new ATOM 0 HD13 LEU A 594 6.242 12.962 -10.749 1.00 0.00 H new ATOM 0 HD21 LEU A 594 6.207 9.999 -9.969 1.00 0.00 H new ATOM 0 HD22 LEU A 594 6.347 11.357 -8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 594 5.062 10.145 -8.615 1.00 0.00 H new ATOM 466 N ALA A 595 1.115 13.520 -7.848 1.00 0.00 N ATOM 467 CA ALA A 595 0.348 14.518 -7.089 1.00 0.00 C ATOM 468 C ALA A 595 -0.283 13.958 -5.791 1.00 0.00 C ATOM 469 O ALA A 595 -0.552 14.716 -4.854 1.00 0.00 O ATOM 470 CB ALA A 595 -0.721 15.098 -8.025 1.00 0.00 C ATOM 0 H ALA A 595 0.636 13.197 -8.689 1.00 0.00 H new ATOM 0 HA ALA A 595 1.032 15.296 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 595 -1.308 15.844 -7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 595 -0.238 15.565 -8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 595 -1.377 14.298 -8.368 1.00 0.00 H new ATOM 476 N CYS A 596 -0.505 12.640 -5.734 1.00 0.00 N ATOM 477 CA CYS A 596 -1.034 11.899 -4.586 1.00 0.00 C ATOM 478 C CYS A 596 0.101 11.448 -3.648 1.00 0.00 C ATOM 479 O CYS A 596 0.131 11.827 -2.472 1.00 0.00 O ATOM 480 CB CYS A 596 -1.818 10.732 -5.183 1.00 0.00 C ATOM 481 SG CYS A 596 -2.446 9.536 -3.952 1.00 0.00 S ATOM 0 H CYS A 596 -0.310 12.031 -6.529 1.00 0.00 H new ATOM 0 HA CYS A 596 -1.683 12.510 -3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 596 -2.661 11.128 -5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 596 -1.178 10.205 -5.891 1.00 0.00 H new ATOM 486 N GLY A 597 1.063 10.700 -4.204 1.00 0.00 N ATOM 487 CA GLY A 597 2.337 10.331 -3.571 1.00 0.00 C ATOM 488 C GLY A 597 2.184 9.715 -2.172 1.00 0.00 C ATOM 489 O GLY A 597 2.754 10.228 -1.206 1.00 0.00 O ATOM 0 H GLY A 597 0.972 10.320 -5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 597 2.858 9.622 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 597 2.966 11.218 -3.499 1.00 0.00 H new ATOM 493 N PHE A 598 1.383 8.653 -2.052 1.00 0.00 N ATOM 494 CA PHE A 598 0.949 8.074 -0.780 1.00 0.00 C ATOM 495 C PHE A 598 1.730 6.807 -0.428 1.00 0.00 C ATOM 496 O PHE A 598 2.235 6.110 -1.310 1.00 0.00 O ATOM 497 CB PHE A 598 -0.571 7.842 -0.794 1.00 0.00 C ATOM 498 CG PHE A 598 -1.168 7.613 0.588 1.00 0.00 C ATOM 499 CD1 PHE A 598 -1.108 8.625 1.566 1.00 0.00 C ATOM 500 CD2 PHE A 598 -1.779 6.388 0.907 1.00 0.00 C ATOM 501 CE1 PHE A 598 -1.680 8.430 2.838 1.00 0.00 C ATOM 502 CE2 PHE A 598 -2.345 6.193 2.183 1.00 0.00 C ATOM 503 CZ PHE A 598 -2.314 7.212 3.143 1.00 0.00 C ATOM 0 H PHE A 598 1.008 8.159 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 598 1.171 8.788 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 598 -1.057 8.704 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 598 -0.792 6.980 -1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 598 -0.618 9.560 1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 598 -1.815 5.596 0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 598 -1.632 9.215 3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 598 -2.808 5.247 2.423 1.00 0.00 H new ATOM 0 HZ PHE A 598 -2.773 7.064 4.109 1.00 0.00 H new ATOM 513 N ASP A 599 1.818 6.516 0.868 1.00 0.00 N ATOM 514 CA ASP A 599 2.580 5.408 1.442 1.00 0.00 C ATOM 515 C ASP A 599 1.690 4.640 2.422 1.00 0.00 C ATOM 516 O ASP A 599 1.370 5.145 3.502 1.00 0.00 O ATOM 517 CB ASP A 599 3.836 5.994 2.107 1.00 0.00 C ATOM 518 CG ASP A 599 4.729 4.954 2.793 1.00 0.00 C ATOM 519 OD1 ASP A 599 4.667 3.750 2.464 1.00 0.00 O ATOM 520 OD2 ASP A 599 5.569 5.358 3.630 1.00 0.00 O ATOM 0 H ASP A 599 1.339 7.070 1.578 1.00 0.00 H new ATOM 0 HA ASP A 599 2.899 4.696 0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.422 6.518 1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 599 3.530 6.736 2.844 1.00 0.00 H new ATOM 525 N PHE A 600 1.248 3.443 2.025 1.00 0.00 N ATOM 526 CA PHE A 600 0.214 2.686 2.729 1.00 0.00 C ATOM 527 C PHE A 600 0.596 1.254 3.113 1.00 0.00 C ATOM 528 O PHE A 600 1.433 0.602 2.480 1.00 0.00 O ATOM 529 CB PHE A 600 -1.092 2.724 1.926 1.00 0.00 C ATOM 530 CG PHE A 600 -1.106 2.007 0.590 1.00 0.00 C ATOM 531 CD1 PHE A 600 -0.739 2.689 -0.585 1.00 0.00 C ATOM 532 CD2 PHE A 600 -1.585 0.686 0.506 1.00 0.00 C ATOM 533 CE1 PHE A 600 -0.856 2.055 -1.834 1.00 0.00 C ATOM 534 CE2 PHE A 600 -1.704 0.052 -0.743 1.00 0.00 C ATOM 535 CZ PHE A 600 -1.343 0.737 -1.914 1.00 0.00 C ATOM 0 H PHE A 600 1.604 2.968 1.195 1.00 0.00 H new ATOM 0 HA PHE A 600 0.080 3.186 3.688 1.00 0.00 H new ATOM 0 HB2 PHE A 600 -1.882 2.299 2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 600 -1.351 3.768 1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 600 -0.367 3.701 -0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 600 -1.862 0.157 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 600 -0.572 2.580 -2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 600 -2.073 -0.961 -0.802 1.00 0.00 H new ATOM 0 HZ PHE A 600 -1.439 0.253 -2.875 1.00 0.00 H new ATOM 545 N CYS A 601 -0.071 0.775 4.164 1.00 0.00 N ATOM 546 CA CYS A 601 -0.070 -0.611 4.599 1.00 0.00 C ATOM 547 C CYS A 601 -1.005 -1.430 3.700 1.00 0.00 C ATOM 548 O CYS A 601 -2.195 -1.130 3.568 1.00 0.00 O ATOM 549 CB CYS A 601 -0.523 -0.632 6.058 1.00 0.00 C ATOM 550 SG CYS A 601 -0.669 -2.361 6.629 1.00 0.00 S ATOM 0 H CYS A 601 -0.649 1.372 4.756 1.00 0.00 H new ATOM 0 HA CYS A 601 0.922 -1.056 4.523 1.00 0.00 H new ATOM 0 HB2 CYS A 601 0.192 -0.092 6.679 1.00 0.00 H new ATOM 0 HB3 CYS A 601 -1.481 -0.123 6.159 1.00 0.00 H new ATOM 555 N VAL A 602 -0.477 -2.485 3.085 1.00 0.00 N ATOM 556 CA VAL A 602 -1.219 -3.319 2.118 1.00 0.00 C ATOM 557 C VAL A 602 -2.184 -4.313 2.778 1.00 0.00 C ATOM 558 O VAL A 602 -2.932 -4.996 2.077 1.00 0.00 O ATOM 559 CB VAL A 602 -0.260 -4.019 1.140 1.00 0.00 C ATOM 560 CG1 VAL A 602 0.609 -2.985 0.417 1.00 0.00 C ATOM 561 CG2 VAL A 602 0.627 -5.056 1.838 1.00 0.00 C ATOM 0 H VAL A 602 0.483 -2.795 3.238 1.00 0.00 H new ATOM 0 HA VAL A 602 -1.850 -2.636 1.548 1.00 0.00 H new ATOM 0 HB VAL A 602 -0.873 -4.551 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.283 -3.494 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 602 -0.029 -2.299 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 602 1.192 -2.425 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 602 1.286 -5.523 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 602 1.226 -4.565 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 602 0.000 -5.819 2.300 1.00 0.00 H new ATOM 571 N LEU A 603 -2.180 -4.393 4.115 1.00 0.00 N ATOM 572 CA LEU A 603 -3.032 -5.290 4.905 1.00 0.00 C ATOM 573 C LEU A 603 -4.290 -4.597 5.469 1.00 0.00 C ATOM 574 O LEU A 603 -5.333 -5.248 5.573 1.00 0.00 O ATOM 575 CB LEU A 603 -2.199 -5.902 6.041 1.00 0.00 C ATOM 576 CG LEU A 603 -1.035 -6.807 5.593 1.00 0.00 C ATOM 577 CD1 LEU A 603 -0.281 -7.322 6.818 1.00 0.00 C ATOM 578 CD2 LEU A 603 -1.515 -8.018 4.786 1.00 0.00 C ATOM 0 H LEU A 603 -1.566 -3.819 4.693 1.00 0.00 H new ATOM 0 HA LEU A 603 -3.395 -6.071 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 603 -1.795 -5.093 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 603 -2.862 -6.482 6.683 1.00 0.00 H new ATOM 0 HG LEU A 603 -0.389 -6.201 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 603 0.541 -7.962 6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 603 0.115 -6.478 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 603 -0.961 -7.894 7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 603 -0.657 -8.624 4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 603 -2.191 -8.617 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 603 -2.038 -7.676 3.893 1.00 0.00 H new ATOM 590 N CYS A 604 -4.210 -3.299 5.808 1.00 0.00 N ATOM 591 CA CYS A 604 -5.321 -2.505 6.368 1.00 0.00 C ATOM 592 C CYS A 604 -5.661 -1.195 5.616 1.00 0.00 C ATOM 593 O CYS A 604 -6.614 -0.500 5.978 1.00 0.00 O ATOM 594 CB CYS A 604 -5.130 -2.308 7.882 1.00 0.00 C ATOM 595 SG CYS A 604 -3.627 -1.405 8.354 1.00 0.00 S ATOM 0 H CYS A 604 -3.352 -2.759 5.698 1.00 0.00 H new ATOM 0 HA CYS A 604 -6.219 -3.101 6.206 1.00 0.00 H new ATOM 0 HB2 CYS A 604 -5.995 -1.775 8.276 1.00 0.00 H new ATOM 0 HB3 CYS A 604 -5.114 -3.287 8.361 1.00 0.00 H new ATOM 600 N LEU A 605 -4.933 -0.889 4.535 1.00 0.00 N ATOM 601 CA LEU A 605 -5.166 0.243 3.617 1.00 0.00 C ATOM 602 C LEU A 605 -5.191 1.630 4.299 1.00 0.00 C ATOM 603 O LEU A 605 -5.835 2.570 3.828 1.00 0.00 O ATOM 604 CB LEU A 605 -6.377 -0.051 2.701 1.00 0.00 C ATOM 605 CG LEU A 605 -6.166 -1.203 1.701 1.00 0.00 C ATOM 606 CD1 LEU A 605 -7.463 -1.455 0.932 1.00 0.00 C ATOM 607 CD2 LEU A 605 -5.068 -0.890 0.679 1.00 0.00 C ATOM 0 H LEU A 605 -4.126 -1.448 4.260 1.00 0.00 H new ATOM 0 HA LEU A 605 -4.290 0.325 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 605 -7.239 -0.284 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 605 -6.622 0.854 2.145 1.00 0.00 H new ATOM 0 HG LEU A 605 -5.867 -2.077 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 605 -7.314 -2.270 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 605 -8.255 -1.722 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 605 -7.746 -0.552 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 605 -4.956 -1.732 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 605 -5.340 0.002 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 605 -4.126 -0.717 1.199 1.00 0.00 H new ATOM 619 N CYS A 606 -4.447 1.762 5.398 1.00 0.00 N ATOM 620 CA CYS A 606 -4.166 3.020 6.095 1.00 0.00 C ATOM 621 C CYS A 606 -2.733 3.489 5.796 1.00 0.00 C ATOM 622 O CYS A 606 -1.952 2.767 5.170 1.00 0.00 O ATOM 623 CB CYS A 606 -4.400 2.805 7.602 1.00 0.00 C ATOM 624 SG CYS A 606 -6.128 2.333 7.922 1.00 0.00 S ATOM 0 H CYS A 606 -4.004 0.960 5.847 1.00 0.00 H new ATOM 0 HA CYS A 606 -4.834 3.807 5.745 1.00 0.00 H new ATOM 0 HB2 CYS A 606 -3.731 2.028 7.972 1.00 0.00 H new ATOM 0 HB3 CYS A 606 -4.160 3.718 8.147 1.00 0.00 H new ATOM 0 HG CYS A 606 -6.422 1.270 7.233 1.00 0.00 H new ATOM 630 N ALA A 607 -2.365 4.687 6.266 1.00 0.00 N ATOM 631 CA ALA A 607 -0.986 5.177 6.187 1.00 0.00 C ATOM 632 C ALA A 607 -0.004 4.155 6.798 1.00 0.00 C ATOM 633 O ALA A 607 -0.267 3.570 7.855 1.00 0.00 O ATOM 634 CB ALA A 607 -0.894 6.543 6.875 1.00 0.00 C ATOM 0 H ALA A 607 -3.011 5.340 6.709 1.00 0.00 H new ATOM 0 HA ALA A 607 -0.702 5.299 5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 607 0.131 6.911 6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 607 -1.560 7.247 6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 607 -1.187 6.444 7.920 1.00 0.00 H new ATOM 640 N TYR A 608 1.111 3.913 6.107 1.00 0.00 N ATOM 641 CA TYR A 608 2.049 2.831 6.407 1.00 0.00 C ATOM 642 C TYR A 608 2.631 2.916 7.827 1.00 0.00 C ATOM 643 O TYR A 608 3.088 3.976 8.266 1.00 0.00 O ATOM 644 CB TYR A 608 3.154 2.846 5.351 1.00 0.00 C ATOM 645 CG TYR A 608 4.216 1.776 5.495 1.00 0.00 C ATOM 646 CD1 TYR A 608 3.867 0.410 5.442 1.00 0.00 C ATOM 647 CD2 TYR A 608 5.566 2.157 5.597 1.00 0.00 C ATOM 648 CE1 TYR A 608 4.875 -0.573 5.436 1.00 0.00 C ATOM 649 CE2 TYR A 608 6.576 1.179 5.573 1.00 0.00 C ATOM 650 CZ TYR A 608 6.231 -0.183 5.456 1.00 0.00 C ATOM 651 OH TYR A 608 7.208 -1.106 5.263 1.00 0.00 O ATOM 0 H TYR A 608 1.393 4.477 5.305 1.00 0.00 H new ATOM 0 HA TYR A 608 1.508 1.885 6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 608 2.693 2.744 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 608 3.641 3.821 5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 608 2.828 0.119 5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 608 5.827 3.201 5.694 1.00 0.00 H new ATOM 0 HE1 TYR A 608 4.612 -1.620 5.416 1.00 0.00 H new ATOM 0 HE2 TYR A 608 7.614 1.470 5.644 1.00 0.00 H new ATOM 0 HH TYR A 608 6.802 -1.976 5.065 1.00 0.00 H new ATOM 661 N HIS A 609 2.613 1.782 8.535 1.00 0.00 N ATOM 662 CA HIS A 609 2.951 1.681 9.961 1.00 0.00 C ATOM 663 C HIS A 609 4.030 0.623 10.279 1.00 0.00 C ATOM 664 O HIS A 609 4.161 0.178 11.422 1.00 0.00 O ATOM 665 CB HIS A 609 1.650 1.517 10.766 1.00 0.00 C ATOM 666 CG HIS A 609 0.899 0.240 10.477 1.00 0.00 C ATOM 667 ND1 HIS A 609 1.257 -1.015 10.903 1.00 0.00 N ATOM 668 CD2 HIS A 609 -0.265 0.106 9.768 1.00 0.00 C ATOM 669 CE1 HIS A 609 0.336 -1.887 10.480 1.00 0.00 C ATOM 670 NE2 HIS A 609 -0.619 -1.259 9.756 1.00 0.00 N ATOM 0 H HIS A 609 2.356 0.885 8.123 1.00 0.00 H new ATOM 0 HA HIS A 609 3.434 2.608 10.271 1.00 0.00 H new ATOM 0 HB2 HIS A 609 1.887 1.553 11.829 1.00 0.00 H new ATOM 0 HB3 HIS A 609 0.997 2.364 10.556 1.00 0.00 H new ATOM 0 HD1 HIS A 609 2.087 -1.244 11.450 1.00 0.00 H new ATOM 0 HD2 HIS A 609 -0.817 0.907 9.299 1.00 0.00 H new ATOM 0 HE1 HIS A 609 0.352 -2.947 10.688 1.00 0.00 H new ATOM 678 N GLY A 610 4.813 0.213 9.272 1.00 0.00 N ATOM 679 CA GLY A 610 5.971 -0.676 9.426 1.00 0.00 C ATOM 680 C GLY A 610 5.660 -1.983 10.170 1.00 0.00 C ATOM 681 O GLY A 610 4.836 -2.786 9.726 1.00 0.00 O ATOM 0 H GLY A 610 4.655 0.497 8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 610 6.365 -0.917 8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 610 6.757 -0.143 9.962 1.00 0.00 H new ATOM 685 N SER A 611 6.330 -2.190 11.308 1.00 0.00 N ATOM 686 CA SER A 611 6.214 -3.385 12.166 1.00 0.00 C ATOM 687 C SER A 611 5.108 -3.316 13.238 1.00 0.00 C ATOM 688 O SER A 611 4.914 -4.286 13.975 1.00 0.00 O ATOM 689 CB SER A 611 7.577 -3.670 12.813 1.00 0.00 C ATOM 690 OG SER A 611 8.028 -2.545 13.557 1.00 0.00 O ATOM 0 H SER A 611 6.994 -1.508 11.675 1.00 0.00 H new ATOM 0 HA SER A 611 5.910 -4.202 11.512 1.00 0.00 H new ATOM 0 HB2 SER A 611 7.499 -4.538 13.468 1.00 0.00 H new ATOM 0 HB3 SER A 611 8.306 -3.918 12.042 1.00 0.00 H new ATOM 0 HG SER A 611 8.897 -2.748 13.962 1.00 0.00 H new ATOM 696 N GLU A 612 4.364 -2.208 13.341 1.00 0.00 N ATOM 697 CA GLU A 612 3.218 -2.077 14.262 1.00 0.00 C ATOM 698 C GLU A 612 1.996 -2.901 13.800 1.00 0.00 C ATOM 699 O GLU A 612 1.941 -3.378 12.664 1.00 0.00 O ATOM 700 CB GLU A 612 2.843 -0.595 14.458 1.00 0.00 C ATOM 701 CG GLU A 612 3.989 0.237 15.050 1.00 0.00 C ATOM 702 CD GLU A 612 3.524 1.667 15.387 1.00 0.00 C ATOM 703 OE1 GLU A 612 2.945 1.878 16.482 1.00 0.00 O ATOM 704 OE2 GLU A 612 3.746 2.599 14.574 1.00 0.00 O ATOM 0 H GLU A 612 4.538 -1.370 12.786 1.00 0.00 H new ATOM 0 HA GLU A 612 3.530 -2.487 15.223 1.00 0.00 H new ATOM 0 HB2 GLU A 612 2.550 -0.170 13.498 1.00 0.00 H new ATOM 0 HB3 GLU A 612 1.975 -0.529 15.115 1.00 0.00 H new ATOM 0 HG2 GLU A 612 4.366 -0.247 15.951 1.00 0.00 H new ATOM 0 HG3 GLU A 612 4.816 0.278 14.341 1.00 0.00 H new ATOM 711 N ASP A 613 0.996 -3.075 14.671 1.00 0.00 N ATOM 712 CA ASP A 613 -0.228 -3.836 14.373 1.00 0.00 C ATOM 713 C ASP A 613 -1.235 -3.058 13.497 1.00 0.00 C ATOM 714 O ASP A 613 -1.411 -1.844 13.648 1.00 0.00 O ATOM 715 CB ASP A 613 -0.897 -4.291 15.679 1.00 0.00 C ATOM 716 CG ASP A 613 -0.030 -5.292 16.458 1.00 0.00 C ATOM 717 OD1 ASP A 613 0.014 -6.485 16.069 1.00 0.00 O ATOM 718 OD2 ASP A 613 0.597 -4.898 17.471 1.00 0.00 O ATOM 0 H ASP A 613 1.012 -2.688 15.615 1.00 0.00 H new ATOM 0 HA ASP A 613 0.079 -4.705 13.791 1.00 0.00 H new ATOM 0 HB2 ASP A 613 -1.096 -3.421 16.305 1.00 0.00 H new ATOM 0 HB3 ASP A 613 -1.860 -4.747 15.452 1.00 0.00 H new ATOM 723 N CYS A 614 -1.929 -3.779 12.608 1.00 0.00 N ATOM 724 CA CYS A 614 -3.001 -3.273 11.747 1.00 0.00 C ATOM 725 C CYS A 614 -4.314 -2.962 12.500 1.00 0.00 C ATOM 726 O CYS A 614 -4.511 -3.353 13.656 1.00 0.00 O ATOM 727 CB CYS A 614 -3.240 -4.304 10.633 1.00 0.00 C ATOM 728 SG CYS A 614 -1.859 -4.321 9.453 1.00 0.00 S ATOM 0 H CYS A 614 -1.750 -4.773 12.464 1.00 0.00 H new ATOM 0 HA CYS A 614 -2.680 -2.316 11.336 1.00 0.00 H new ATOM 0 HB2 CYS A 614 -3.362 -5.295 11.070 1.00 0.00 H new ATOM 0 HB3 CYS A 614 -4.167 -4.071 10.110 1.00 0.00 H new ATOM 733 N ARG A 615 -5.228 -2.269 11.806 1.00 0.00 N ATOM 734 CA ARG A 615 -6.540 -1.822 12.314 1.00 0.00 C ATOM 735 C ARG A 615 -7.711 -2.557 11.646 1.00 0.00 C ATOM 736 O ARG A 615 -7.591 -3.041 10.516 1.00 0.00 O ATOM 737 CB ARG A 615 -6.673 -0.294 12.164 1.00 0.00 C ATOM 738 CG ARG A 615 -5.483 0.461 12.786 1.00 0.00 C ATOM 739 CD ARG A 615 -5.760 1.959 12.968 1.00 0.00 C ATOM 740 NE ARG A 615 -6.043 2.652 11.694 1.00 0.00 N ATOM 741 CZ ARG A 615 -6.419 3.913 11.558 1.00 0.00 C ATOM 742 NH1 ARG A 615 -6.545 4.714 12.578 1.00 0.00 N ATOM 743 NH2 ARG A 615 -6.681 4.399 10.380 1.00 0.00 N ATOM 0 H ARG A 615 -5.071 -1.992 10.837 1.00 0.00 H new ATOM 0 HA ARG A 615 -6.588 -2.076 13.373 1.00 0.00 H new ATOM 0 HB2 ARG A 615 -6.749 -0.040 11.107 1.00 0.00 H new ATOM 0 HB3 ARG A 615 -7.597 0.036 12.638 1.00 0.00 H new ATOM 0 HG2 ARG A 615 -5.244 0.020 13.754 1.00 0.00 H new ATOM 0 HG3 ARG A 615 -4.606 0.333 12.152 1.00 0.00 H new ATOM 0 HD2 ARG A 615 -6.608 2.087 13.641 1.00 0.00 H new ATOM 0 HD3 ARG A 615 -4.899 2.427 13.446 1.00 0.00 H new ATOM 0 HE ARG A 615 -5.939 2.106 10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 615 -6.351 4.374 13.520 1.00 0.00 H new ATOM 0 HH12 ARG A 615 -6.837 5.681 12.434 1.00 0.00 H new ATOM 0 HH21 ARG A 615 -6.597 3.807 9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 615 -6.970 5.372 10.283 1.00 0.00 H new ATOM 757 N ARG A 616 -8.853 -2.626 12.342 1.00 0.00 N ATOM 758 CA ARG A 616 -10.100 -3.254 11.855 1.00 0.00 C ATOM 759 C ARG A 616 -10.822 -2.409 10.791 1.00 0.00 C ATOM 760 O ARG A 616 -10.649 -1.188 10.734 1.00 0.00 O ATOM 761 CB ARG A 616 -11.015 -3.623 13.040 1.00 0.00 C ATOM 762 CG ARG A 616 -11.580 -2.412 13.806 1.00 0.00 C ATOM 763 CD ARG A 616 -12.464 -2.874 14.970 1.00 0.00 C ATOM 764 NE ARG A 616 -13.023 -1.726 15.712 1.00 0.00 N ATOM 765 CZ ARG A 616 -13.830 -1.782 16.758 1.00 0.00 C ATOM 766 NH1 ARG A 616 -14.229 -2.913 17.268 1.00 0.00 N ATOM 767 NH2 ARG A 616 -14.256 -0.687 17.320 1.00 0.00 N ATOM 0 H ARG A 616 -8.943 -2.239 13.282 1.00 0.00 H new ATOM 0 HA ARG A 616 -9.824 -4.177 11.345 1.00 0.00 H new ATOM 0 HB2 ARG A 616 -11.846 -4.223 12.669 1.00 0.00 H new ATOM 0 HB3 ARG A 616 -10.455 -4.249 13.735 1.00 0.00 H new ATOM 0 HG2 ARG A 616 -10.761 -1.800 14.185 1.00 0.00 H new ATOM 0 HG3 ARG A 616 -12.160 -1.785 13.129 1.00 0.00 H new ATOM 0 HD2 ARG A 616 -13.276 -3.493 14.588 1.00 0.00 H new ATOM 0 HD3 ARG A 616 -11.880 -3.497 15.647 1.00 0.00 H new ATOM 0 HE ARG A 616 -12.760 -0.796 15.385 1.00 0.00 H new ATOM 0 HH11 ARG A 616 -13.918 -3.794 16.859 1.00 0.00 H new ATOM 0 HH12 ARG A 616 -14.852 -2.917 18.076 1.00 0.00 H new ATOM 0 HH21 ARG A 616 -13.967 0.220 16.953 1.00 0.00 H new ATOM 0 HH22 ARG A 616 -14.878 -0.737 18.127 1.00 0.00 H new ATOM 781 N GLY A 617 -11.647 -3.067 9.967 1.00 0.00 N ATOM 782 CA GLY A 617 -12.501 -2.446 8.937 1.00 0.00 C ATOM 783 C GLY A 617 -13.663 -1.635 9.517 1.00 0.00 C ATOM 784 O GLY A 617 -14.381 -2.166 10.394 1.00 0.00 O ATOM 785 OXT GLY A 617 -13.865 -0.484 9.072 1.00 0.00 O ATOM 0 H GLY A 617 -11.744 -4.082 9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -11.889 -1.795 8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -12.900 -3.226 8.288 1.00 0.00 H new TER 789 GLY A 617 HETATM 790 ZN ZN A 701 -2.732 7.627 -4.965 1.00 0.00 ZN HETATM 791 ZN ZN A 702 -1.684 -2.355 8.551 1.00 0.00 ZN