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 Single : A 566 THR OG1 : rot -32:sc= 0.234 USER MOD Single : A 571 LYS NZ :NH3+ -179:sc= 1.02 (180deg=1.02) USER MOD Single : A 577 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 578 SER OG : rot 180:sc= -0.0372 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=-0.38) USER MOD Single : A 585 HIS : no HD1:sc= 0.215 K(o=0.21,f=-2.3!) 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 61:sc= 0.823 USER MOD Single : A 608 TYR OH : rot 0:sc= 0.491 USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 566 7.005 -5.411 -14.550 1.00 0.00 N ATOM 2 CA THR A 566 5.601 -5.615 -14.106 1.00 0.00 C ATOM 3 C THR A 566 5.458 -6.918 -13.324 1.00 0.00 C ATOM 4 O THR A 566 6.319 -7.796 -13.405 1.00 0.00 O ATOM 5 CB THR A 566 4.622 -5.612 -15.288 1.00 0.00 C ATOM 6 OG1 THR A 566 5.114 -6.433 -16.325 1.00 0.00 O ATOM 7 CG2 THR A 566 4.417 -4.211 -15.865 1.00 0.00 C ATOM 0 HA THR A 566 5.352 -4.778 -13.454 1.00 0.00 H new ATOM 0 HB THR A 566 3.671 -5.983 -14.906 1.00 0.00 H new ATOM 0 HG1 THR A 566 6.094 -6.409 -16.325 1.00 0.00 H new ATOM 0 HG21 THR A 566 3.717 -4.260 -16.699 1.00 0.00 H new ATOM 0 HG22 THR A 566 4.017 -3.554 -15.093 1.00 0.00 H new ATOM 0 HG23 THR A 566 5.372 -3.819 -16.216 1.00 0.00 H new ATOM 15 N ASP A 567 4.384 -7.054 -12.539 1.00 0.00 N ATOM 16 CA ASP A 567 4.060 -8.257 -11.752 1.00 0.00 C ATOM 17 C ASP A 567 2.537 -8.508 -11.704 1.00 0.00 C ATOM 18 O ASP A 567 1.735 -7.607 -11.961 1.00 0.00 O ATOM 19 CB ASP A 567 4.661 -8.117 -10.339 1.00 0.00 C ATOM 20 CG ASP A 567 4.593 -9.410 -9.502 1.00 0.00 C ATOM 21 OD1 ASP A 567 4.590 -10.522 -10.083 1.00 0.00 O ATOM 22 OD2 ASP A 567 4.554 -9.315 -8.253 1.00 0.00 O ATOM 0 H ASP A 567 3.694 -6.311 -12.428 1.00 0.00 H new ATOM 0 HA ASP A 567 4.501 -9.129 -12.236 1.00 0.00 H new ATOM 0 HB2 ASP A 567 5.702 -7.806 -10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 567 4.135 -7.324 -9.808 1.00 0.00 H new ATOM 27 N GLU A 568 2.125 -9.729 -11.359 1.00 0.00 N ATOM 28 CA GLU A 568 0.730 -10.211 -11.413 1.00 0.00 C ATOM 29 C GLU A 568 -0.159 -9.780 -10.224 1.00 0.00 C ATOM 30 O GLU A 568 -1.283 -10.260 -10.050 1.00 0.00 O ATOM 31 CB GLU A 568 0.724 -11.738 -11.596 1.00 0.00 C ATOM 32 CG GLU A 568 1.374 -12.229 -12.899 1.00 0.00 C ATOM 33 CD GLU A 568 0.631 -11.721 -14.153 1.00 0.00 C ATOM 34 OE1 GLU A 568 -0.466 -12.244 -14.468 1.00 0.00 O ATOM 35 OE2 GLU A 568 1.143 -10.803 -14.839 1.00 0.00 O ATOM 0 H GLU A 568 2.772 -10.441 -11.021 1.00 0.00 H new ATOM 0 HA GLU A 568 0.272 -9.725 -12.274 1.00 0.00 H new ATOM 0 HB2 GLU A 568 1.243 -12.194 -10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 568 -0.307 -12.090 -11.564 1.00 0.00 H new ATOM 0 HG2 GLU A 568 2.411 -11.894 -12.934 1.00 0.00 H new ATOM 0 HG3 GLU A 568 1.390 -13.319 -12.906 1.00 0.00 H new ATOM 42 N ALA A 569 0.342 -8.851 -9.417 1.00 0.00 N ATOM 43 CA ALA A 569 -0.342 -8.191 -8.311 1.00 0.00 C ATOM 44 C ALA A 569 0.146 -6.743 -8.168 1.00 0.00 C ATOM 45 O ALA A 569 1.343 -6.497 -8.016 1.00 0.00 O ATOM 46 CB ALA A 569 -0.086 -8.958 -7.007 1.00 0.00 C ATOM 0 H ALA A 569 1.300 -8.517 -9.525 1.00 0.00 H new ATOM 0 HA ALA A 569 -1.412 -8.181 -8.518 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -0.600 -8.460 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -0.461 -9.977 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 569 0.985 -8.983 -6.804 1.00 0.00 H new ATOM 52 N LEU A 570 -0.796 -5.800 -8.188 1.00 0.00 N ATOM 53 CA LEU A 570 -0.635 -4.381 -7.854 1.00 0.00 C ATOM 54 C LEU A 570 -1.943 -3.874 -7.225 1.00 0.00 C ATOM 55 O LEU A 570 -3.012 -4.023 -7.826 1.00 0.00 O ATOM 56 CB LEU A 570 -0.284 -3.561 -9.113 1.00 0.00 C ATOM 57 CG LEU A 570 1.097 -3.861 -9.728 1.00 0.00 C ATOM 58 CD1 LEU A 570 1.259 -3.098 -11.030 1.00 0.00 C ATOM 59 CD2 LEU A 570 2.254 -3.432 -8.829 1.00 0.00 C ATOM 0 H LEU A 570 -1.756 -6.019 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 570 0.184 -4.262 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -1.048 -3.742 -9.869 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -0.329 -2.501 -8.861 1.00 0.00 H new ATOM 0 HG LEU A 570 1.132 -4.941 -9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 570 2.237 -3.315 -11.459 1.00 0.00 H new ATOM 0 HD12 LEU A 570 0.480 -3.402 -11.729 1.00 0.00 H new ATOM 0 HD13 LEU A 570 1.176 -2.028 -10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 570 3.200 -3.669 -9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 570 2.197 -2.358 -8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 570 2.192 -3.962 -7.879 1.00 0.00 H new ATOM 71 N LYS A 571 -1.880 -3.297 -6.018 1.00 0.00 N ATOM 72 CA LYS A 571 -3.068 -2.839 -5.274 1.00 0.00 C ATOM 73 C LYS A 571 -3.450 -1.389 -5.622 1.00 0.00 C ATOM 74 O LYS A 571 -2.564 -0.579 -5.912 1.00 0.00 O ATOM 75 CB LYS A 571 -2.899 -3.017 -3.753 1.00 0.00 C ATOM 76 CG LYS A 571 -2.561 -4.460 -3.341 1.00 0.00 C ATOM 77 CD LYS A 571 -2.942 -4.725 -1.876 1.00 0.00 C ATOM 78 CE LYS A 571 -2.517 -6.140 -1.464 1.00 0.00 C ATOM 79 NZ LYS A 571 -3.209 -6.596 -0.229 1.00 0.00 N ATOM 0 H LYS A 571 -1.002 -3.133 -5.525 1.00 0.00 H new ATOM 0 HA LYS A 571 -3.893 -3.477 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 571 -2.109 -2.352 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 571 -3.818 -2.710 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 571 -3.090 -5.159 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 571 -1.495 -4.640 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 571 -2.461 -3.991 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 571 -4.018 -4.609 -1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 571 -2.733 -6.834 -2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 571 -1.439 -6.162 -1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 571 -2.879 -7.550 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 571 -2.997 -5.940 0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 571 -4.236 -6.617 -0.394 1.00 0.00 H new ATOM 93 N PRO A 572 -4.745 -1.030 -5.563 1.00 0.00 N ATOM 94 CA PRO A 572 -5.199 0.347 -5.713 1.00 0.00 C ATOM 95 C PRO A 572 -4.813 1.196 -4.493 1.00 0.00 C ATOM 96 O PRO A 572 -4.996 0.788 -3.344 1.00 0.00 O ATOM 97 CB PRO A 572 -6.716 0.266 -5.888 1.00 0.00 C ATOM 98 CG PRO A 572 -7.099 -1.018 -5.147 1.00 0.00 C ATOM 99 CD PRO A 572 -5.870 -1.915 -5.304 1.00 0.00 C ATOM 0 HA PRO A 572 -4.730 0.833 -6.569 1.00 0.00 H new ATOM 0 HB2 PRO A 572 -7.215 1.137 -5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 572 -6.996 0.220 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 572 -7.319 -0.823 -4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 572 -7.987 -1.479 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 572 -5.701 -2.504 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 572 -6.006 -2.620 -6.124 1.00 0.00 H new ATOM 107 N CYS A 573 -4.326 2.404 -4.761 1.00 0.00 N ATOM 108 CA CYS A 573 -4.045 3.441 -3.776 1.00 0.00 C ATOM 109 C CYS A 573 -5.296 3.799 -2.944 1.00 0.00 C ATOM 110 O CYS A 573 -6.363 4.069 -3.510 1.00 0.00 O ATOM 111 CB CYS A 573 -3.536 4.624 -4.592 1.00 0.00 C ATOM 112 SG CYS A 573 -3.277 6.166 -3.639 1.00 0.00 S ATOM 0 H CYS A 573 -4.107 2.699 -5.713 1.00 0.00 H new ATOM 0 HA CYS A 573 -3.311 3.116 -3.038 1.00 0.00 H new ATOM 0 HB2 CYS A 573 -2.594 4.343 -5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 573 -4.246 4.825 -5.394 1.00 0.00 H new ATOM 117 N PRO A 574 -5.205 3.842 -1.606 1.00 0.00 N ATOM 118 CA PRO A 574 -6.327 4.159 -0.721 1.00 0.00 C ATOM 119 C PRO A 574 -6.787 5.628 -0.814 1.00 0.00 C ATOM 120 O PRO A 574 -7.859 5.958 -0.296 1.00 0.00 O ATOM 121 CB PRO A 574 -5.834 3.774 0.680 1.00 0.00 C ATOM 122 CG PRO A 574 -4.332 3.988 0.576 1.00 0.00 C ATOM 123 CD PRO A 574 -4.010 3.558 -0.839 1.00 0.00 C ATOM 0 HA PRO A 574 -7.224 3.608 -1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -6.280 4.401 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -6.080 2.741 0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -4.062 5.030 0.750 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -3.790 3.391 1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -3.152 4.105 -1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -3.759 2.498 -0.880 1.00 0.00 H new ATOM 131 N ARG A 575 -6.027 6.509 -1.491 1.00 0.00 N ATOM 132 CA ARG A 575 -6.422 7.898 -1.793 1.00 0.00 C ATOM 133 C ARG A 575 -7.103 8.066 -3.153 1.00 0.00 C ATOM 134 O ARG A 575 -8.162 8.693 -3.221 1.00 0.00 O ATOM 135 CB ARG A 575 -5.195 8.820 -1.763 1.00 0.00 C ATOM 136 CG ARG A 575 -4.728 9.224 -0.361 1.00 0.00 C ATOM 137 CD ARG A 575 -3.669 10.327 -0.498 1.00 0.00 C ATOM 138 NE ARG A 575 -3.324 10.939 0.797 1.00 0.00 N ATOM 139 CZ ARG A 575 -2.361 11.819 1.007 1.00 0.00 C ATOM 140 NH1 ARG A 575 -1.541 12.192 0.063 1.00 0.00 N ATOM 141 NH2 ARG A 575 -2.193 12.342 2.188 1.00 0.00 N ATOM 0 H ARG A 575 -5.103 6.271 -1.851 1.00 0.00 H new ATOM 0 HA ARG A 575 -7.144 8.166 -1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 575 -4.372 8.322 -2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 575 -5.423 9.723 -2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 575 -5.571 9.580 0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 575 -4.312 8.363 0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 575 -2.770 9.909 -0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 575 -4.037 11.098 -1.175 1.00 0.00 H new ATOM 0 HE ARG A 575 -3.879 10.658 1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 575 -1.632 11.802 -0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 575 -0.809 12.874 0.263 1.00 0.00 H new ATOM 0 HH21 ARG A 575 -2.807 12.073 2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 575 -1.448 13.021 2.344 1.00 0.00 H new ATOM 155 N CYS A 576 -6.489 7.538 -4.219 1.00 0.00 N ATOM 156 CA CYS A 576 -6.860 7.831 -5.611 1.00 0.00 C ATOM 157 C CYS A 576 -7.116 6.598 -6.506 1.00 0.00 C ATOM 158 O CYS A 576 -7.457 6.743 -7.682 1.00 0.00 O ATOM 159 CB CYS A 576 -5.819 8.807 -6.183 1.00 0.00 C ATOM 160 SG CYS A 576 -4.257 7.972 -6.537 1.00 0.00 S ATOM 0 H CYS A 576 -5.709 6.886 -4.139 1.00 0.00 H new ATOM 0 HA CYS A 576 -7.845 8.298 -5.605 1.00 0.00 H new ATOM 0 HB2 CYS A 576 -6.206 9.260 -7.096 1.00 0.00 H new ATOM 0 HB3 CYS A 576 -5.648 9.616 -5.473 1.00 0.00 H new ATOM 165 N GLN A 577 -6.998 5.390 -5.943 1.00 0.00 N ATOM 166 CA GLN A 577 -7.321 4.091 -6.554 1.00 0.00 C ATOM 167 C GLN A 577 -6.515 3.714 -7.818 1.00 0.00 C ATOM 168 O GLN A 577 -6.820 2.707 -8.462 1.00 0.00 O ATOM 169 CB GLN A 577 -8.849 3.935 -6.735 1.00 0.00 C ATOM 170 CG GLN A 577 -9.684 4.064 -5.447 1.00 0.00 C ATOM 171 CD GLN A 577 -9.704 2.786 -4.608 1.00 0.00 C ATOM 172 OE1 GLN A 577 -10.580 1.939 -4.740 1.00 0.00 O ATOM 173 NE2 GLN A 577 -8.756 2.579 -3.721 1.00 0.00 N ATOM 0 H GLN A 577 -6.653 5.284 -4.989 1.00 0.00 H new ATOM 0 HA GLN A 577 -6.979 3.346 -5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 577 -9.192 4.686 -7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 577 -9.047 2.960 -7.180 1.00 0.00 H new ATOM 0 HG2 GLN A 577 -9.285 4.880 -4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 577 -10.707 4.333 -5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 577 -8.017 3.270 -3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 577 -8.760 1.727 -3.160 1.00 0.00 H new ATOM 182 N SER A 578 -5.453 4.454 -8.155 1.00 0.00 N ATOM 183 CA SER A 578 -4.493 4.057 -9.200 1.00 0.00 C ATOM 184 C SER A 578 -3.594 2.909 -8.705 1.00 0.00 C ATOM 185 O SER A 578 -3.372 2.801 -7.495 1.00 0.00 O ATOM 186 CB SER A 578 -3.663 5.269 -9.652 1.00 0.00 C ATOM 187 OG SER A 578 -4.355 5.959 -10.685 1.00 0.00 O ATOM 0 H SER A 578 -5.232 5.346 -7.713 1.00 0.00 H new ATOM 0 HA SER A 578 -5.047 3.690 -10.064 1.00 0.00 H new ATOM 0 HB2 SER A 578 -3.486 5.937 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 578 -2.687 4.942 -10.009 1.00 0.00 H new ATOM 0 HG SER A 578 -3.827 6.733 -10.972 1.00 0.00 H new ATOM 193 N PRO A 579 -3.073 2.038 -9.594 1.00 0.00 N ATOM 194 CA PRO A 579 -2.206 0.927 -9.211 1.00 0.00 C ATOM 195 C PRO A 579 -0.890 1.452 -8.631 1.00 0.00 C ATOM 196 O PRO A 579 -0.051 2.036 -9.320 1.00 0.00 O ATOM 197 CB PRO A 579 -1.996 0.087 -10.474 1.00 0.00 C ATOM 198 CG PRO A 579 -2.188 1.107 -11.593 1.00 0.00 C ATOM 199 CD PRO A 579 -3.263 2.038 -11.035 1.00 0.00 C ATOM 0 HA PRO A 579 -2.652 0.313 -8.428 1.00 0.00 H new ATOM 0 HB2 PRO A 579 -1.003 -0.361 -10.501 1.00 0.00 H new ATOM 0 HB3 PRO A 579 -2.716 -0.729 -10.542 1.00 0.00 H new ATOM 0 HG2 PRO A 579 -1.265 1.643 -11.812 1.00 0.00 H new ATOM 0 HG3 PRO A 579 -2.508 0.632 -12.520 1.00 0.00 H new ATOM 0 HD2 PRO A 579 -3.161 3.043 -11.443 1.00 0.00 H new ATOM 0 HD3 PRO A 579 -4.261 1.687 -11.299 1.00 0.00 H new ATOM 207 N ALA A 580 -0.725 1.233 -7.335 1.00 0.00 N ATOM 208 CA ALA A 580 0.475 1.552 -6.575 1.00 0.00 C ATOM 209 C ALA A 580 1.556 0.475 -6.772 1.00 0.00 C ATOM 210 O ALA A 580 1.239 -0.707 -6.941 1.00 0.00 O ATOM 211 CB ALA A 580 0.061 1.700 -5.109 1.00 0.00 C ATOM 0 H ALA A 580 -1.454 0.811 -6.760 1.00 0.00 H new ATOM 0 HA ALA A 580 0.920 2.484 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 580 0.937 1.940 -4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 580 -0.673 2.500 -5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 580 -0.376 0.765 -4.758 1.00 0.00 H new ATOM 217 N LYS A 581 2.837 0.863 -6.706 1.00 0.00 N ATOM 218 CA LYS A 581 3.979 -0.062 -6.715 1.00 0.00 C ATOM 219 C LYS A 581 3.910 -0.941 -5.468 1.00 0.00 C ATOM 220 O LYS A 581 4.077 -0.455 -4.349 1.00 0.00 O ATOM 221 CB LYS A 581 5.307 0.715 -6.789 1.00 0.00 C ATOM 222 CG LYS A 581 6.463 -0.218 -7.181 1.00 0.00 C ATOM 223 CD LYS A 581 7.796 0.543 -7.232 1.00 0.00 C ATOM 224 CE LYS A 581 8.971 -0.377 -7.602 1.00 0.00 C ATOM 225 NZ LYS A 581 8.959 -0.770 -9.037 1.00 0.00 N ATOM 0 H LYS A 581 3.113 1.843 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 581 3.934 -0.699 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 581 5.222 1.522 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 581 5.518 1.177 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 581 6.534 -1.035 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 581 6.259 -0.666 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 581 7.725 1.351 -7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 581 7.988 1.004 -6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 581 9.909 0.129 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 581 8.935 -1.274 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 581 9.771 -1.389 -9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 581 8.077 -1.277 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 581 9.021 0.082 -9.631 1.00 0.00 H new ATOM 239 N TYR A 582 3.618 -2.219 -5.671 1.00 0.00 N ATOM 240 CA TYR A 582 3.345 -3.171 -4.599 1.00 0.00 C ATOM 241 C TYR A 582 4.640 -3.800 -4.075 1.00 0.00 C ATOM 242 O TYR A 582 5.508 -4.205 -4.853 1.00 0.00 O ATOM 243 CB TYR A 582 2.365 -4.223 -5.133 1.00 0.00 C ATOM 244 CG TYR A 582 1.854 -5.257 -4.160 1.00 0.00 C ATOM 245 CD1 TYR A 582 1.581 -4.930 -2.820 1.00 0.00 C ATOM 246 CD2 TYR A 582 1.618 -6.560 -4.633 1.00 0.00 C ATOM 247 CE1 TYR A 582 1.105 -5.919 -1.942 1.00 0.00 C ATOM 248 CE2 TYR A 582 1.129 -7.550 -3.759 1.00 0.00 C ATOM 249 CZ TYR A 582 0.862 -7.227 -2.410 1.00 0.00 C ATOM 250 OH TYR A 582 0.357 -8.159 -1.556 1.00 0.00 O ATOM 0 H TYR A 582 3.563 -2.632 -6.602 1.00 0.00 H new ATOM 0 HA TYR A 582 2.893 -2.661 -3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 582 1.505 -3.700 -5.550 1.00 0.00 H new ATOM 0 HB3 TYR A 582 2.850 -4.747 -5.957 1.00 0.00 H new ATOM 0 HD1 TYR A 582 1.737 -3.922 -2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 582 1.812 -6.802 -5.668 1.00 0.00 H new ATOM 0 HE1 TYR A 582 0.925 -5.676 -0.905 1.00 0.00 H new ATOM 0 HE2 TYR A 582 0.959 -8.554 -4.119 1.00 0.00 H new ATOM 0 HH TYR A 582 0.245 -9.010 -2.029 1.00 0.00 H new ATOM 260 N GLN A 583 4.767 -3.883 -2.750 1.00 0.00 N ATOM 261 CA GLN A 583 5.950 -4.376 -2.045 1.00 0.00 C ATOM 262 C GLN A 583 5.536 -5.461 -1.027 1.00 0.00 C ATOM 263 O GLN A 583 5.559 -5.219 0.184 1.00 0.00 O ATOM 264 CB GLN A 583 6.690 -3.190 -1.389 1.00 0.00 C ATOM 265 CG GLN A 583 6.825 -1.916 -2.254 1.00 0.00 C ATOM 266 CD GLN A 583 7.750 -0.857 -1.651 1.00 0.00 C ATOM 267 OE1 GLN A 583 8.266 -0.964 -0.548 1.00 0.00 O ATOM 268 NE2 GLN A 583 7.993 0.222 -2.361 1.00 0.00 N ATOM 0 H GLN A 583 4.021 -3.598 -2.115 1.00 0.00 H new ATOM 0 HA GLN A 583 6.644 -4.843 -2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 583 6.170 -2.927 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 583 7.689 -3.522 -1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 583 7.200 -2.195 -3.239 1.00 0.00 H new ATOM 0 HG3 GLN A 583 5.836 -1.481 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 583 7.572 0.331 -3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 583 8.602 0.951 -1.989 1.00 0.00 H new ATOM 277 N PRO A 584 5.110 -6.660 -1.479 1.00 0.00 N ATOM 278 CA PRO A 584 4.602 -7.723 -0.601 1.00 0.00 C ATOM 279 C PRO A 584 5.646 -8.239 0.404 1.00 0.00 C ATOM 280 O PRO A 584 5.291 -8.658 1.507 1.00 0.00 O ATOM 281 CB PRO A 584 4.132 -8.838 -1.544 1.00 0.00 C ATOM 282 CG PRO A 584 4.916 -8.598 -2.834 1.00 0.00 C ATOM 283 CD PRO A 584 5.072 -7.085 -2.870 1.00 0.00 C ATOM 0 HA PRO A 584 3.796 -7.343 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 584 4.341 -9.824 -1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 584 3.057 -8.786 -1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 584 5.882 -9.102 -2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 584 4.378 -8.968 -3.707 1.00 0.00 H new ATOM 0 HD2 PRO A 584 5.985 -6.798 -3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 584 4.241 -6.618 -3.399 1.00 0.00 H new ATOM 291 N HIS A 585 6.936 -8.139 0.071 1.00 0.00 N ATOM 292 CA HIS A 585 8.076 -8.441 0.950 1.00 0.00 C ATOM 293 C HIS A 585 8.269 -7.431 2.097 1.00 0.00 C ATOM 294 O HIS A 585 8.943 -7.742 3.081 1.00 0.00 O ATOM 295 CB HIS A 585 9.344 -8.542 0.085 1.00 0.00 C ATOM 296 CG HIS A 585 9.740 -7.271 -0.641 1.00 0.00 C ATOM 297 ND1 HIS A 585 8.884 -6.435 -1.370 1.00 0.00 N ATOM 298 CD2 HIS A 585 11.013 -6.794 -0.751 1.00 0.00 C ATOM 299 CE1 HIS A 585 9.666 -5.478 -1.900 1.00 0.00 C ATOM 300 NE2 HIS A 585 10.947 -5.668 -1.543 1.00 0.00 N ATOM 0 H HIS A 585 7.230 -7.833 -0.857 1.00 0.00 H new ATOM 0 HA HIS A 585 7.868 -9.389 1.445 1.00 0.00 H new ATOM 0 HB2 HIS A 585 10.174 -8.850 0.721 1.00 0.00 H new ATOM 0 HB3 HIS A 585 9.198 -9.331 -0.653 1.00 0.00 H new ATOM 0 HD2 HIS A 585 11.901 -7.217 -0.304 1.00 0.00 H new ATOM 0 HE1 HIS A 585 9.314 -4.670 -2.525 1.00 0.00 H new ATOM 0 HE2 HIS A 585 11.736 -5.080 -1.812 1.00 0.00 H new ATOM 308 N LYS A 586 7.658 -6.241 1.991 1.00 0.00 N ATOM 309 CA LYS A 586 7.664 -5.155 2.996 1.00 0.00 C ATOM 310 C LYS A 586 6.259 -4.783 3.502 1.00 0.00 C ATOM 311 O LYS A 586 6.123 -3.836 4.278 1.00 0.00 O ATOM 312 CB LYS A 586 8.394 -3.931 2.407 1.00 0.00 C ATOM 313 CG LYS A 586 9.876 -4.218 2.118 1.00 0.00 C ATOM 314 CD LYS A 586 10.583 -2.964 1.585 1.00 0.00 C ATOM 315 CE LYS A 586 12.060 -3.222 1.253 1.00 0.00 C ATOM 316 NZ LYS A 586 12.889 -3.448 2.468 1.00 0.00 N ATOM 0 H LYS A 586 7.118 -5.993 1.162 1.00 0.00 H new ATOM 0 HA LYS A 586 8.197 -5.517 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 586 7.899 -3.625 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 586 8.317 -3.096 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 586 10.369 -4.559 3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 586 9.959 -5.025 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 586 10.068 -2.612 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 586 10.514 -2.168 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 586 12.135 -4.091 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 586 12.458 -2.372 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 13.876 -3.617 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 12.842 -2.609 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 12.529 -4.276 2.985 1.00 0.00 H new ATOM 330 N LYS A 587 5.215 -5.490 3.038 1.00 0.00 N ATOM 331 CA LYS A 587 3.779 -5.181 3.224 1.00 0.00 C ATOM 332 C LYS A 587 3.439 -3.698 2.987 1.00 0.00 C ATOM 333 O LYS A 587 2.650 -3.089 3.714 1.00 0.00 O ATOM 334 CB LYS A 587 3.281 -5.770 4.561 1.00 0.00 C ATOM 335 CG LYS A 587 2.982 -7.267 4.400 1.00 0.00 C ATOM 336 CD LYS A 587 2.706 -7.945 5.747 1.00 0.00 C ATOM 337 CE LYS A 587 2.065 -9.317 5.502 1.00 0.00 C ATOM 338 NZ LYS A 587 2.088 -10.166 6.723 1.00 0.00 N ATOM 0 H LYS A 587 5.353 -6.341 2.492 1.00 0.00 H new ATOM 0 HA LYS A 587 3.209 -5.679 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 587 4.034 -5.623 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 587 2.383 -5.245 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 587 2.120 -7.396 3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 587 3.827 -7.755 3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 587 3.634 -8.059 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 587 2.044 -7.324 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 587 1.035 -9.183 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 587 2.594 -9.826 4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 587 1.646 -11.084 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 587 3.072 -10.316 7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 587 1.562 -9.693 7.485 1.00 0.00 H new ATOM 352 N ARG A 588 4.044 -3.119 1.946 1.00 0.00 N ATOM 353 CA ARG A 588 4.008 -1.684 1.618 1.00 0.00 C ATOM 354 C ARG A 588 3.490 -1.450 0.198 1.00 0.00 C ATOM 355 O ARG A 588 3.646 -2.306 -0.673 1.00 0.00 O ATOM 356 CB ARG A 588 5.418 -1.118 1.859 1.00 0.00 C ATOM 357 CG ARG A 588 5.511 0.407 1.903 1.00 0.00 C ATOM 358 CD ARG A 588 6.920 0.797 2.356 1.00 0.00 C ATOM 359 NE ARG A 588 7.078 2.257 2.438 1.00 0.00 N ATOM 360 CZ ARG A 588 8.208 2.927 2.544 1.00 0.00 C ATOM 361 NH1 ARG A 588 9.374 2.350 2.438 1.00 0.00 N ATOM 362 NH2 ARG A 588 8.187 4.204 2.769 1.00 0.00 N ATOM 0 H ARG A 588 4.597 -3.657 1.278 1.00 0.00 H new ATOM 0 HA ARG A 588 3.304 -1.154 2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 588 5.795 -1.516 2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 588 6.078 -1.483 1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.300 0.827 0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.767 0.812 2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 588 7.126 0.353 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 588 7.653 0.390 1.659 1.00 0.00 H new ATOM 0 HE ARG A 588 6.221 2.810 2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 588 9.433 1.346 2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 588 10.227 2.903 2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 588 7.296 4.691 2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 588 9.062 4.722 2.851 1.00 0.00 H new ATOM 376 N GLY A 589 2.872 -0.301 -0.045 1.00 0.00 N ATOM 377 CA GLY A 589 2.430 0.123 -1.374 1.00 0.00 C ATOM 378 C GLY A 589 2.645 1.626 -1.573 1.00 0.00 C ATOM 379 O GLY A 589 2.329 2.413 -0.677 1.00 0.00 O ATOM 0 H GLY A 589 2.659 0.377 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 589 2.978 -0.430 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 589 1.375 -0.117 -1.503 1.00 0.00 H new ATOM 383 N LEU A 590 3.213 2.017 -2.723 1.00 0.00 N ATOM 384 CA LEU A 590 3.544 3.411 -3.061 1.00 0.00 C ATOM 385 C LEU A 590 2.817 3.897 -4.320 1.00 0.00 C ATOM 386 O LEU A 590 2.970 3.300 -5.387 1.00 0.00 O ATOM 387 CB LEU A 590 5.066 3.584 -3.234 1.00 0.00 C ATOM 388 CG LEU A 590 5.910 3.381 -1.965 1.00 0.00 C ATOM 389 CD1 LEU A 590 7.365 3.757 -2.252 1.00 0.00 C ATOM 390 CD2 LEU A 590 5.407 4.235 -0.805 1.00 0.00 C ATOM 0 H LEU A 590 3.461 1.359 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 590 3.203 4.024 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 590 5.409 2.880 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 590 5.258 4.586 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 590 5.829 2.331 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 590 7.962 3.613 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 590 7.753 3.125 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 590 7.417 4.802 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 590 6.031 4.062 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 590 5.454 5.288 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 590 4.376 3.966 -0.576 1.00 0.00 H new ATOM 402 N CYS A 591 2.051 4.985 -4.216 1.00 0.00 N ATOM 403 CA CYS A 591 1.232 5.497 -5.317 1.00 0.00 C ATOM 404 C CYS A 591 2.062 5.886 -6.562 1.00 0.00 C ATOM 405 O CYS A 591 3.168 6.429 -6.461 1.00 0.00 O ATOM 406 CB CYS A 591 0.391 6.669 -4.809 1.00 0.00 C ATOM 407 SG CYS A 591 -0.846 7.091 -6.064 1.00 0.00 S ATOM 0 H CYS A 591 1.981 5.538 -3.362 1.00 0.00 H new ATOM 0 HA CYS A 591 0.576 4.694 -5.652 1.00 0.00 H new ATOM 0 HB2 CYS A 591 -0.098 6.404 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 591 1.028 7.529 -4.604 1.00 0.00 H new ATOM 412 N SER A 592 1.495 5.623 -7.743 1.00 0.00 N ATOM 413 CA SER A 592 2.073 5.973 -9.048 1.00 0.00 C ATOM 414 C SER A 592 1.821 7.443 -9.439 1.00 0.00 C ATOM 415 O SER A 592 2.591 8.024 -10.212 1.00 0.00 O ATOM 416 CB SER A 592 1.508 5.012 -10.102 1.00 0.00 C ATOM 417 OG SER A 592 2.171 5.157 -11.348 1.00 0.00 O ATOM 0 H SER A 592 0.596 5.148 -7.822 1.00 0.00 H new ATOM 0 HA SER A 592 3.156 5.869 -8.986 1.00 0.00 H new ATOM 0 HB2 SER A 592 1.611 3.985 -9.752 1.00 0.00 H new ATOM 0 HB3 SER A 592 0.442 5.199 -10.232 1.00 0.00 H new ATOM 0 HG SER A 592 1.789 4.530 -11.997 1.00 0.00 H new ATOM 423 N ARG A 593 0.775 8.080 -8.888 1.00 0.00 N ATOM 424 CA ARG A 593 0.410 9.478 -9.163 1.00 0.00 C ATOM 425 C ARG A 593 1.289 10.435 -8.349 1.00 0.00 C ATOM 426 O ARG A 593 1.254 10.423 -7.121 1.00 0.00 O ATOM 427 CB ARG A 593 -1.099 9.642 -8.905 1.00 0.00 C ATOM 428 CG ARG A 593 -1.577 11.094 -9.093 1.00 0.00 C ATOM 429 CD ARG A 593 -3.072 11.376 -8.828 1.00 0.00 C ATOM 430 NE ARG A 593 -3.917 10.170 -8.751 1.00 0.00 N ATOM 431 CZ ARG A 593 -4.412 9.446 -9.734 1.00 0.00 C ATOM 432 NH1 ARG A 593 -4.249 9.736 -10.993 1.00 0.00 N ATOM 433 NH2 ARG A 593 -5.070 8.373 -9.433 1.00 0.00 N ATOM 0 H ARG A 593 0.146 7.627 -8.225 1.00 0.00 H new ATOM 0 HA ARG A 593 0.597 9.737 -10.205 1.00 0.00 H new ATOM 0 HB2 ARG A 593 -1.652 8.991 -9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 593 -1.328 9.316 -7.890 1.00 0.00 H new ATOM 0 HG2 ARG A 593 -0.989 11.733 -8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 593 -1.351 11.396 -10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 593 -3.164 11.929 -7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 593 -3.453 12.021 -9.620 1.00 0.00 H new ATOM 0 HE ARG A 593 -4.150 9.854 -7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 593 -3.714 10.562 -11.261 1.00 0.00 H new ATOM 0 HH12 ARG A 593 -4.656 9.137 -11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 593 -5.194 8.108 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 593 -5.465 7.792 -10.173 1.00 0.00 H new ATOM 447 N LEU A 594 2.036 11.308 -9.029 1.00 0.00 N ATOM 448 CA LEU A 594 3.020 12.208 -8.400 1.00 0.00 C ATOM 449 C LEU A 594 2.380 13.290 -7.506 1.00 0.00 C ATOM 450 O LEU A 594 2.974 13.692 -6.504 1.00 0.00 O ATOM 451 CB LEU A 594 3.896 12.853 -9.492 1.00 0.00 C ATOM 452 CG LEU A 594 4.707 11.871 -10.363 1.00 0.00 C ATOM 453 CD1 LEU A 594 5.515 12.653 -11.399 1.00 0.00 C ATOM 454 CD2 LEU A 594 5.680 11.018 -9.545 1.00 0.00 C ATOM 0 H LEU A 594 1.978 11.415 -10.042 1.00 0.00 H new ATOM 0 HA LEU A 594 3.634 11.599 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 594 3.254 13.445 -10.145 1.00 0.00 H new ATOM 0 HB3 LEU A 594 4.590 13.545 -9.014 1.00 0.00 H new ATOM 0 HG LEU A 594 3.987 11.205 -10.838 1.00 0.00 H new ATOM 0 HD11 LEU A 594 6.088 11.958 -12.014 1.00 0.00 H new ATOM 0 HD12 LEU A 594 4.837 13.225 -12.033 1.00 0.00 H new ATOM 0 HD13 LEU A 594 6.197 13.334 -10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 594 6.223 10.346 -10.210 1.00 0.00 H new ATOM 0 HD22 LEU A 594 6.387 11.667 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 594 5.124 10.432 -8.813 1.00 0.00 H new ATOM 466 N ALA A 595 1.159 13.729 -7.831 1.00 0.00 N ATOM 467 CA ALA A 595 0.380 14.677 -7.022 1.00 0.00 C ATOM 468 C ALA A 595 -0.238 14.050 -5.749 1.00 0.00 C ATOM 469 O ALA A 595 -0.616 14.773 -4.823 1.00 0.00 O ATOM 470 CB ALA A 595 -0.700 15.287 -7.927 1.00 0.00 C ATOM 0 H ALA A 595 0.675 13.431 -8.678 1.00 0.00 H new ATOM 0 HA ALA A 595 1.055 15.447 -6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 595 -1.297 15.997 -7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 595 -0.226 15.802 -8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 595 -1.345 14.495 -8.308 1.00 0.00 H new ATOM 476 N CYS A 596 -0.333 12.715 -5.699 1.00 0.00 N ATOM 477 CA CYS A 596 -0.866 11.923 -4.590 1.00 0.00 C ATOM 478 C CYS A 596 0.265 11.425 -3.671 1.00 0.00 C ATOM 479 O CYS A 596 0.308 11.776 -2.488 1.00 0.00 O ATOM 480 CB CYS A 596 -1.665 10.790 -5.237 1.00 0.00 C ATOM 481 SG CYS A 596 -2.334 9.599 -4.028 1.00 0.00 S ATOM 0 H CYS A 596 -0.022 12.130 -6.475 1.00 0.00 H new ATOM 0 HA CYS A 596 -1.512 12.509 -3.936 1.00 0.00 H new ATOM 0 HB2 CYS A 596 -2.488 11.216 -5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 596 -1.025 10.260 -5.943 1.00 0.00 H new ATOM 486 N GLY A 597 1.210 10.669 -4.247 1.00 0.00 N ATOM 487 CA GLY A 597 2.476 10.253 -3.628 1.00 0.00 C ATOM 488 C GLY A 597 2.312 9.616 -2.242 1.00 0.00 C ATOM 489 O GLY A 597 2.928 10.071 -1.274 1.00 0.00 O ATOM 0 H GLY A 597 1.108 10.315 -5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 597 2.975 9.542 -4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 597 3.130 11.121 -3.543 1.00 0.00 H new ATOM 493 N PHE A 598 1.448 8.604 -2.131 1.00 0.00 N ATOM 494 CA PHE A 598 0.997 8.030 -0.864 1.00 0.00 C ATOM 495 C PHE A 598 1.746 6.744 -0.510 1.00 0.00 C ATOM 496 O PHE A 598 2.237 6.038 -1.391 1.00 0.00 O ATOM 497 CB PHE A 598 -0.530 7.843 -0.884 1.00 0.00 C ATOM 498 CG PHE A 598 -1.123 7.649 0.503 1.00 0.00 C ATOM 499 CD1 PHE A 598 -1.045 8.686 1.454 1.00 0.00 C ATOM 500 CD2 PHE A 598 -1.729 6.433 0.860 1.00 0.00 C ATOM 501 CE1 PHE A 598 -1.598 8.522 2.738 1.00 0.00 C ATOM 502 CE2 PHE A 598 -2.275 6.269 2.148 1.00 0.00 C ATOM 503 CZ PHE A 598 -2.227 7.313 3.080 1.00 0.00 C ATOM 0 H PHE A 598 1.032 8.150 -2.944 1.00 0.00 H new ATOM 0 HA PHE A 598 1.237 8.732 -0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 598 -0.991 8.713 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 598 -0.777 6.980 -1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 598 -0.557 9.614 1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 598 -1.776 5.624 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 598 -1.539 9.324 3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 598 -2.735 5.330 2.419 1.00 0.00 H new ATOM 0 HZ PHE A 598 -2.671 7.190 4.057 1.00 0.00 H new ATOM 513 N ASP A 599 1.827 6.450 0.787 1.00 0.00 N ATOM 514 CA ASP A 599 2.599 5.351 1.367 1.00 0.00 C ATOM 515 C ASP A 599 1.733 4.599 2.385 1.00 0.00 C ATOM 516 O ASP A 599 1.440 5.123 3.466 1.00 0.00 O ATOM 517 CB ASP A 599 3.870 5.949 1.992 1.00 0.00 C ATOM 518 CG ASP A 599 4.799 4.918 2.643 1.00 0.00 C ATOM 519 OD1 ASP A 599 4.658 3.699 2.407 1.00 0.00 O ATOM 520 OD2 ASP A 599 5.739 5.339 3.357 1.00 0.00 O ATOM 0 H ASP A 599 1.334 6.996 1.494 1.00 0.00 H new ATOM 0 HA ASP A 599 2.897 4.623 0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.424 6.483 1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 599 3.580 6.684 2.743 1.00 0.00 H new ATOM 525 N PHE A 600 1.287 3.393 2.023 1.00 0.00 N ATOM 526 CA PHE A 600 0.264 2.656 2.769 1.00 0.00 C ATOM 527 C PHE A 600 0.625 1.213 3.132 1.00 0.00 C ATOM 528 O PHE A 600 1.422 0.546 2.464 1.00 0.00 O ATOM 529 CB PHE A 600 -1.066 2.731 2.010 1.00 0.00 C ATOM 530 CG PHE A 600 -1.122 2.033 0.665 1.00 0.00 C ATOM 531 CD1 PHE A 600 -0.774 2.732 -0.506 1.00 0.00 C ATOM 532 CD2 PHE A 600 -1.600 0.712 0.570 1.00 0.00 C ATOM 533 CE1 PHE A 600 -0.920 2.122 -1.762 1.00 0.00 C ATOM 534 CE2 PHE A 600 -1.743 0.098 -0.688 1.00 0.00 C ATOM 535 CZ PHE A 600 -1.411 0.807 -1.855 1.00 0.00 C ATOM 0 H PHE A 600 1.628 2.898 1.199 1.00 0.00 H new ATOM 0 HA PHE A 600 0.180 3.149 3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 600 -1.845 2.309 2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 600 -1.313 3.782 1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 600 -0.394 3.740 -0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 600 -1.858 0.168 1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 600 -0.655 2.663 -2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 600 -2.107 -0.916 -0.757 1.00 0.00 H new ATOM 0 HZ PHE A 600 -1.533 0.343 -2.822 1.00 0.00 H new ATOM 545 N CYS A 601 -0.014 0.740 4.204 1.00 0.00 N ATOM 546 CA CYS A 601 -0.028 -0.646 4.645 1.00 0.00 C ATOM 547 C CYS A 601 -0.974 -1.470 3.758 1.00 0.00 C ATOM 548 O CYS A 601 -2.158 -1.148 3.617 1.00 0.00 O ATOM 549 CB CYS A 601 -0.475 -0.652 6.108 1.00 0.00 C ATOM 550 SG CYS A 601 -0.653 -2.369 6.714 1.00 0.00 S ATOM 0 H CYS A 601 -0.561 1.347 4.814 1.00 0.00 H new ATOM 0 HA CYS A 601 0.960 -1.100 4.562 1.00 0.00 H new ATOM 0 HB2 CYS A 601 0.252 -0.118 6.719 1.00 0.00 H new ATOM 0 HB3 CYS A 601 -1.424 -0.125 6.207 1.00 0.00 H new ATOM 555 N VAL A 602 -0.465 -2.549 3.166 1.00 0.00 N ATOM 556 CA VAL A 602 -1.225 -3.379 2.209 1.00 0.00 C ATOM 557 C VAL A 602 -2.198 -4.360 2.876 1.00 0.00 C ATOM 558 O VAL A 602 -2.920 -5.063 2.166 1.00 0.00 O ATOM 559 CB VAL A 602 -0.299 -4.092 1.207 1.00 0.00 C ATOM 560 CG1 VAL A 602 0.572 -3.075 0.463 1.00 0.00 C ATOM 561 CG2 VAL A 602 0.562 -5.169 1.877 1.00 0.00 C ATOM 0 H VAL A 602 0.486 -2.880 3.331 1.00 0.00 H new ATOM 0 HA VAL A 602 -1.848 -2.680 1.651 1.00 0.00 H new ATOM 0 HB VAL A 602 -0.934 -4.602 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.220 -3.597 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 602 -0.066 -2.378 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 602 1.183 -2.526 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 602 1.198 -5.643 1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 602 1.185 -4.711 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 602 -0.084 -5.919 2.333 1.00 0.00 H new ATOM 571 N LEU A 603 -2.234 -4.413 4.213 1.00 0.00 N ATOM 572 CA LEU A 603 -3.172 -5.242 4.982 1.00 0.00 C ATOM 573 C LEU A 603 -4.420 -4.469 5.459 1.00 0.00 C ATOM 574 O LEU A 603 -5.516 -5.035 5.438 1.00 0.00 O ATOM 575 CB LEU A 603 -2.456 -5.872 6.185 1.00 0.00 C ATOM 576 CG LEU A 603 -1.358 -6.900 5.867 1.00 0.00 C ATOM 577 CD1 LEU A 603 -0.871 -7.501 7.186 1.00 0.00 C ATOM 578 CD2 LEU A 603 -1.846 -8.045 4.974 1.00 0.00 C ATOM 0 H LEU A 603 -1.601 -3.872 4.802 1.00 0.00 H new ATOM 0 HA LEU A 603 -3.524 -6.020 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 603 -2.013 -5.071 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 603 -3.204 -6.355 6.813 1.00 0.00 H new ATOM 0 HG LEU A 603 -0.567 -6.378 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 603 -0.090 -8.235 6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 603 -0.471 -6.710 7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 603 -1.704 -7.987 7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 603 -1.024 -8.736 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 603 -2.658 -8.574 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 603 -2.203 -7.641 4.027 1.00 0.00 H new ATOM 590 N CYS A 604 -4.269 -3.198 5.872 1.00 0.00 N ATOM 591 CA CYS A 604 -5.351 -2.364 6.431 1.00 0.00 C ATOM 592 C CYS A 604 -5.667 -1.070 5.645 1.00 0.00 C ATOM 593 O CYS A 604 -6.601 -0.342 5.996 1.00 0.00 O ATOM 594 CB CYS A 604 -5.134 -2.141 7.938 1.00 0.00 C ATOM 595 SG CYS A 604 -3.597 -1.278 8.382 1.00 0.00 S ATOM 0 H CYS A 604 -3.374 -2.711 5.826 1.00 0.00 H new ATOM 0 HA CYS A 604 -6.270 -2.936 6.304 1.00 0.00 H new ATOM 0 HB2 CYS A 604 -5.977 -1.572 8.329 1.00 0.00 H new ATOM 0 HB3 CYS A 604 -5.144 -3.110 8.437 1.00 0.00 H new ATOM 600 N LEU A 605 -4.940 -0.814 4.551 1.00 0.00 N ATOM 601 CA LEU A 605 -5.149 0.295 3.602 1.00 0.00 C ATOM 602 C LEU A 605 -5.158 1.694 4.257 1.00 0.00 C ATOM 603 O LEU A 605 -5.830 2.618 3.794 1.00 0.00 O ATOM 604 CB LEU A 605 -6.364 0.001 2.692 1.00 0.00 C ATOM 605 CG LEU A 605 -6.154 -1.150 1.689 1.00 0.00 C ATOM 606 CD1 LEU A 605 -7.463 -1.427 0.947 1.00 0.00 C ATOM 607 CD2 LEU A 605 -5.087 -0.809 0.644 1.00 0.00 C ATOM 0 H LEU A 605 -4.149 -1.402 4.287 1.00 0.00 H new ATOM 0 HA LEU A 605 -4.273 0.344 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 605 -7.223 -0.235 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 605 -6.613 0.906 2.138 1.00 0.00 H new ATOM 0 HG LEU A 605 -5.828 -2.020 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 605 -7.314 -2.241 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 605 -8.235 -1.707 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 605 -7.774 -0.531 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 605 -4.970 -1.647 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 605 -5.393 0.077 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 605 -4.138 -0.614 1.143 1.00 0.00 H new ATOM 619 N CYS A 606 -4.374 1.852 5.326 1.00 0.00 N ATOM 620 CA CYS A 606 -4.110 3.126 6.001 1.00 0.00 C ATOM 621 C CYS A 606 -2.638 3.530 5.811 1.00 0.00 C ATOM 622 O CYS A 606 -1.841 2.757 5.270 1.00 0.00 O ATOM 623 CB CYS A 606 -4.506 2.995 7.480 1.00 0.00 C ATOM 624 SG CYS A 606 -6.290 2.665 7.616 1.00 0.00 S ATOM 0 H CYS A 606 -3.888 1.068 5.761 1.00 0.00 H new ATOM 0 HA CYS A 606 -4.709 3.925 5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 606 -3.941 2.188 7.947 1.00 0.00 H new ATOM 0 HB3 CYS A 606 -4.255 3.911 8.015 1.00 0.00 H new ATOM 0 HG CYS A 606 -6.571 1.547 7.016 1.00 0.00 H new ATOM 630 N ALA A 607 -2.264 4.732 6.259 1.00 0.00 N ATOM 631 CA ALA A 607 -0.883 5.216 6.191 1.00 0.00 C ATOM 632 C ALA A 607 0.096 4.201 6.822 1.00 0.00 C ATOM 633 O ALA A 607 -0.164 3.653 7.899 1.00 0.00 O ATOM 634 CB ALA A 607 -0.796 6.589 6.865 1.00 0.00 C ATOM 0 H ALA A 607 -2.912 5.398 6.680 1.00 0.00 H new ATOM 0 HA ALA A 607 -0.589 5.322 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 607 0.230 6.954 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 607 -1.454 7.289 6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 607 -1.102 6.503 7.908 1.00 0.00 H new ATOM 640 N TYR A 608 1.203 3.927 6.126 1.00 0.00 N ATOM 641 CA TYR A 608 2.134 2.844 6.447 1.00 0.00 C ATOM 642 C TYR A 608 2.688 2.916 7.878 1.00 0.00 C ATOM 643 O TYR A 608 3.132 3.974 8.335 1.00 0.00 O ATOM 644 CB TYR A 608 3.267 2.856 5.421 1.00 0.00 C ATOM 645 CG TYR A 608 4.268 1.731 5.573 1.00 0.00 C ATOM 646 CD1 TYR A 608 3.892 0.417 5.239 1.00 0.00 C ATOM 647 CD2 TYR A 608 5.586 2.006 5.987 1.00 0.00 C ATOM 648 CE1 TYR A 608 4.851 -0.610 5.239 1.00 0.00 C ATOM 649 CE2 TYR A 608 6.549 0.979 5.991 1.00 0.00 C ATOM 650 CZ TYR A 608 6.190 -0.321 5.573 1.00 0.00 C ATOM 651 OH TYR A 608 7.158 -1.252 5.373 1.00 0.00 O ATOM 0 H TYR A 608 1.482 4.465 5.305 1.00 0.00 H new ATOM 0 HA TYR A 608 1.583 1.905 6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 608 2.835 2.807 4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 608 3.795 3.807 5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 608 2.866 0.198 4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 608 5.857 3.003 6.301 1.00 0.00 H new ATOM 0 HE1 TYR A 608 4.563 -1.619 4.984 1.00 0.00 H new ATOM 0 HE2 TYR A 608 7.559 1.185 6.313 1.00 0.00 H new ATOM 0 HH TYR A 608 6.759 -2.063 4.994 1.00 0.00 H new ATOM 661 N HIS A 609 2.677 1.772 8.572 1.00 0.00 N ATOM 662 CA HIS A 609 3.052 1.646 9.986 1.00 0.00 C ATOM 663 C HIS A 609 4.168 0.611 10.252 1.00 0.00 C ATOM 664 O HIS A 609 4.331 0.131 11.377 1.00 0.00 O ATOM 665 CB HIS A 609 1.781 1.450 10.832 1.00 0.00 C ATOM 666 CG HIS A 609 1.012 0.188 10.529 1.00 0.00 C ATOM 667 ND1 HIS A 609 1.371 -1.084 10.905 1.00 0.00 N ATOM 668 CD2 HIS A 609 -0.186 0.092 9.872 1.00 0.00 C ATOM 669 CE1 HIS A 609 0.415 -1.930 10.500 1.00 0.00 C ATOM 670 NE2 HIS A 609 -0.563 -1.266 9.839 1.00 0.00 N ATOM 0 H HIS A 609 2.399 0.884 8.154 1.00 0.00 H new ATOM 0 HA HIS A 609 3.522 2.577 10.302 1.00 0.00 H new ATOM 0 HB2 HIS A 609 2.059 1.446 11.886 1.00 0.00 H new ATOM 0 HB3 HIS A 609 1.123 2.306 10.679 1.00 0.00 H new ATOM 0 HD1 HIS A 609 2.221 -1.340 11.407 1.00 0.00 H new ATOM 0 HD2 HIS A 609 -0.745 0.915 9.452 1.00 0.00 H new ATOM 0 HE1 HIS A 609 0.423 -2.995 10.676 1.00 0.00 H new ATOM 678 N GLY A 610 4.953 0.269 9.223 1.00 0.00 N ATOM 679 CA GLY A 610 6.170 -0.545 9.343 1.00 0.00 C ATOM 680 C GLY A 610 5.946 -1.908 10.014 1.00 0.00 C ATOM 681 O GLY A 610 5.154 -2.725 9.538 1.00 0.00 O ATOM 0 H GLY A 610 4.756 0.556 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 610 6.587 -0.705 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 610 6.913 0.012 9.914 1.00 0.00 H new ATOM 685 N SER A 611 6.652 -2.144 11.124 1.00 0.00 N ATOM 686 CA SER A 611 6.611 -3.405 11.892 1.00 0.00 C ATOM 687 C SER A 611 5.509 -3.460 12.969 1.00 0.00 C ATOM 688 O SER A 611 5.385 -4.473 13.661 1.00 0.00 O ATOM 689 CB SER A 611 7.982 -3.683 12.528 1.00 0.00 C ATOM 690 OG SER A 611 8.993 -3.808 11.536 1.00 0.00 O ATOM 0 H SER A 611 7.284 -1.452 11.527 1.00 0.00 H new ATOM 0 HA SER A 611 6.361 -4.182 11.170 1.00 0.00 H new ATOM 0 HB2 SER A 611 8.239 -2.875 13.213 1.00 0.00 H new ATOM 0 HB3 SER A 611 7.933 -4.598 13.119 1.00 0.00 H new ATOM 0 HG SER A 611 9.855 -3.983 11.968 1.00 0.00 H new ATOM 696 N GLU A 612 4.701 -2.406 13.135 1.00 0.00 N ATOM 697 CA GLU A 612 3.572 -2.397 14.084 1.00 0.00 C ATOM 698 C GLU A 612 2.368 -3.220 13.594 1.00 0.00 C ATOM 699 O GLU A 612 2.287 -3.635 12.436 1.00 0.00 O ATOM 700 CB GLU A 612 3.127 -0.959 14.405 1.00 0.00 C ATOM 701 CG GLU A 612 4.197 -0.113 15.100 1.00 0.00 C ATOM 702 CD GLU A 612 4.691 -0.737 16.421 1.00 0.00 C ATOM 703 OE1 GLU A 612 3.883 -0.875 17.372 1.00 0.00 O ATOM 704 OE2 GLU A 612 5.892 -1.087 16.524 1.00 0.00 O ATOM 0 H GLU A 612 4.808 -1.534 12.617 1.00 0.00 H new ATOM 0 HA GLU A 612 3.942 -2.872 14.993 1.00 0.00 H new ATOM 0 HB2 GLU A 612 2.834 -0.465 13.478 1.00 0.00 H new ATOM 0 HB3 GLU A 612 2.241 -0.997 15.039 1.00 0.00 H new ATOM 0 HG2 GLU A 612 5.044 0.017 14.426 1.00 0.00 H new ATOM 0 HG3 GLU A 612 3.794 0.880 15.301 1.00 0.00 H new ATOM 711 N ASP A 613 1.405 -3.433 14.491 1.00 0.00 N ATOM 712 CA ASP A 613 0.156 -4.156 14.210 1.00 0.00 C ATOM 713 C ASP A 613 -0.906 -3.260 13.541 1.00 0.00 C ATOM 714 O ASP A 613 -1.013 -2.066 13.842 1.00 0.00 O ATOM 715 CB ASP A 613 -0.401 -4.778 15.499 1.00 0.00 C ATOM 716 CG ASP A 613 0.508 -5.891 16.047 1.00 0.00 C ATOM 717 OD1 ASP A 613 0.531 -6.998 15.458 1.00 0.00 O ATOM 718 OD2 ASP A 613 1.187 -5.670 17.080 1.00 0.00 O ATOM 0 H ASP A 613 1.469 -3.103 15.454 1.00 0.00 H new ATOM 0 HA ASP A 613 0.396 -4.949 13.502 1.00 0.00 H new ATOM 0 HB2 ASP A 613 -0.517 -4.001 16.255 1.00 0.00 H new ATOM 0 HB3 ASP A 613 -1.394 -5.185 15.305 1.00 0.00 H new ATOM 723 N CYS A 614 -1.714 -3.850 12.653 1.00 0.00 N ATOM 724 CA CYS A 614 -2.839 -3.196 11.983 1.00 0.00 C ATOM 725 C CYS A 614 -4.010 -2.862 12.936 1.00 0.00 C ATOM 726 O CYS A 614 -4.104 -3.362 14.064 1.00 0.00 O ATOM 727 CB CYS A 614 -3.299 -4.085 10.814 1.00 0.00 C ATOM 728 SG CYS A 614 -2.003 -4.239 9.549 1.00 0.00 S ATOM 0 H CYS A 614 -1.598 -4.824 12.374 1.00 0.00 H new ATOM 0 HA CYS A 614 -2.496 -2.232 11.608 1.00 0.00 H new ATOM 0 HB2 CYS A 614 -3.563 -5.074 11.189 1.00 0.00 H new ATOM 0 HB3 CYS A 614 -4.199 -3.663 10.366 1.00 0.00 H new ATOM 733 N ARG A 615 -4.922 -2.014 12.446 1.00 0.00 N ATOM 734 CA ARG A 615 -6.086 -1.481 13.180 1.00 0.00 C ATOM 735 C ARG A 615 -7.005 -2.591 13.708 1.00 0.00 C ATOM 736 O ARG A 615 -7.158 -3.637 13.070 1.00 0.00 O ATOM 737 CB ARG A 615 -6.865 -0.505 12.277 1.00 0.00 C ATOM 738 CG ARG A 615 -6.003 0.691 11.836 1.00 0.00 C ATOM 739 CD ARG A 615 -6.763 1.661 10.923 1.00 0.00 C ATOM 740 NE ARG A 615 -7.874 2.345 11.616 1.00 0.00 N ATOM 741 CZ ARG A 615 -8.756 3.161 11.065 1.00 0.00 C ATOM 742 NH1 ARG A 615 -8.718 3.470 9.800 1.00 0.00 N ATOM 743 NH2 ARG A 615 -9.702 3.690 11.785 1.00 0.00 N ATOM 0 H ARG A 615 -4.871 -1.664 11.489 1.00 0.00 H new ATOM 0 HA ARG A 615 -5.713 -0.948 14.054 1.00 0.00 H new ATOM 0 HB2 ARG A 615 -7.225 -1.036 11.396 1.00 0.00 H new ATOM 0 HB3 ARG A 615 -7.743 -0.141 12.810 1.00 0.00 H new ATOM 0 HG2 ARG A 615 -5.653 1.227 12.718 1.00 0.00 H new ATOM 0 HG3 ARG A 615 -5.119 0.324 11.315 1.00 0.00 H new ATOM 0 HD2 ARG A 615 -6.069 2.406 10.534 1.00 0.00 H new ATOM 0 HD3 ARG A 615 -7.157 1.114 10.066 1.00 0.00 H new ATOM 0 HE ARG A 615 -7.970 2.171 12.616 1.00 0.00 H new ATOM 0 HH11 ARG A 615 -7.991 3.079 9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 615 -9.415 4.103 9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 615 -9.766 3.476 12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 615 -10.380 4.319 11.354 1.00 0.00 H new ATOM 757 N ARG A 616 -7.603 -2.369 14.884 1.00 0.00 N ATOM 758 CA ARG A 616 -8.494 -3.304 15.611 1.00 0.00 C ATOM 759 C ARG A 616 -9.893 -2.703 15.824 1.00 0.00 C ATOM 760 O ARG A 616 -10.065 -1.481 15.772 1.00 0.00 O ATOM 761 CB ARG A 616 -7.859 -3.697 16.965 1.00 0.00 C ATOM 762 CG ARG A 616 -6.471 -4.370 16.928 1.00 0.00 C ATOM 763 CD ARG A 616 -6.446 -5.789 16.334 1.00 0.00 C ATOM 764 NE ARG A 616 -6.563 -5.772 14.867 1.00 0.00 N ATOM 765 CZ ARG A 616 -6.692 -6.792 14.043 1.00 0.00 C ATOM 766 NH1 ARG A 616 -6.663 -8.030 14.447 1.00 0.00 N ATOM 767 NH2 ARG A 616 -6.861 -6.553 12.776 1.00 0.00 N ATOM 0 H ARG A 616 -7.478 -1.490 15.387 1.00 0.00 H new ATOM 0 HA ARG A 616 -8.613 -4.199 15.000 1.00 0.00 H new ATOM 0 HB2 ARG A 616 -7.781 -2.797 17.575 1.00 0.00 H new ATOM 0 HB3 ARG A 616 -8.547 -4.370 17.477 1.00 0.00 H new ATOM 0 HG2 ARG A 616 -5.795 -3.740 16.350 1.00 0.00 H new ATOM 0 HG3 ARG A 616 -6.078 -4.412 17.944 1.00 0.00 H new ATOM 0 HD2 ARG A 616 -5.518 -6.285 16.618 1.00 0.00 H new ATOM 0 HD3 ARG A 616 -7.263 -6.374 16.757 1.00 0.00 H new ATOM 0 HE ARG A 616 -6.541 -4.850 14.431 1.00 0.00 H new ATOM 0 HH11 ARG A 616 -6.536 -8.241 15.437 1.00 0.00 H new ATOM 0 HH12 ARG A 616 -6.767 -8.789 13.773 1.00 0.00 H new ATOM 0 HH21 ARG A 616 -6.891 -5.591 12.438 1.00 0.00 H new ATOM 0 HH22 ARG A 616 -6.963 -7.327 12.120 1.00 0.00 H new ATOM 781 N GLY A 617 -10.884 -3.563 16.082 1.00 0.00 N ATOM 782 CA GLY A 617 -12.288 -3.194 16.346 1.00 0.00 C ATOM 783 C GLY A 617 -13.190 -4.410 16.550 1.00 0.00 C ATOM 784 O GLY A 617 -13.031 -5.098 17.584 1.00 0.00 O ATOM 785 OXT GLY A 617 -14.040 -4.673 15.671 1.00 0.00 O ATOM 0 H GLY A 617 -10.730 -4.571 16.115 1.00 0.00 H new ATOM 0 HA2 GLY A 617 -12.332 -2.561 17.233 1.00 0.00 H new ATOM 0 HA3 GLY A 617 -12.666 -2.602 15.513 1.00 0.00 H new TER 789 GLY A 617 HETATM 790 ZN ZN A 701 -2.677 7.713 -5.058 1.00 0.00 ZN HETATM 791 ZN ZN A 702 -1.696 -2.300 8.623 1.00 0.00 ZN