USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 367 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 567 HIS HD1 : A 567 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD NoAdj-H: A 605 HIS HD1 : A 605 HIS ND1 : A 702 ZNZN :(H bumps) USER MOD Set 1.1: A 568 ASN : amide:sc= 0.116 K(o=0.78,f=-0.14) USER MOD Set 1.2: A 598 THR OG1 : rot 69:sc= 0.663 USER MOD Set 2.1: A 575 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 576 THR OG1 : rot 180:sc= 0 USER MOD Single : A 566 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.6) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 578 THR OG1 : rot 62:sc= 0.849 USER MOD Single : A 579 TYR OH : rot 180:sc= 0 USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 593 GLN : amide:sc= -0.034 X(o=-0.034,f=0) USER MOD Single : A 595 MET CE :methyl -173:sc= -7.29! (180deg=-8.38!) USER MOD Single : A 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 604 CYS SG : rot -88:sc= -1.82 USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 613 ASN : amide:sc= -0.0933 X(o=-0.093,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 566 14.041 -4.220 3.620 1.00 0.00 N ATOM 2 CA GLN A 566 13.155 -3.238 2.942 1.00 0.00 C ATOM 3 C GLN A 566 12.045 -3.942 2.166 1.00 0.00 C ATOM 4 O GLN A 566 12.303 -4.883 1.414 1.00 0.00 O ATOM 5 CB GLN A 566 14.005 -2.386 1.997 1.00 0.00 C ATOM 6 CG GLN A 566 13.659 -0.906 2.037 1.00 0.00 C ATOM 7 CD GLN A 566 14.802 -0.053 2.550 1.00 0.00 C ATOM 8 OE1 GLN A 566 15.970 -0.323 2.269 1.00 0.00 O ATOM 9 NE2 GLN A 566 14.470 0.985 3.310 1.00 0.00 N ATOM 0 HA GLN A 566 12.680 -2.605 3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 566 15.057 -2.512 2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 566 13.880 -2.753 0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 566 13.384 -0.574 1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 566 12.786 -0.758 2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 566 13.489 1.172 3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 566 15.196 1.595 3.686 1.00 0.00 H new ATOM 18 N HIS A 567 10.814 -3.481 2.353 1.00 0.00 N ATOM 19 CA HIS A 567 9.666 -4.068 1.669 1.00 0.00 C ATOM 20 C HIS A 567 9.714 -3.777 0.174 1.00 0.00 C ATOM 21 O HIS A 567 9.905 -2.633 -0.241 1.00 0.00 O ATOM 22 CB HIS A 567 8.360 -3.533 2.259 1.00 0.00 C ATOM 23 CG HIS A 567 8.219 -3.794 3.726 1.00 0.00 C ATOM 24 ND1 HIS A 567 7.866 -5.023 4.241 1.00 0.00 N ATOM 25 CD2 HIS A 567 8.387 -2.976 4.793 1.00 0.00 C ATOM 26 CE1 HIS A 567 7.821 -4.950 5.559 1.00 0.00 C ATOM 27 NE2 HIS A 567 8.134 -3.719 5.919 1.00 0.00 N ATOM 0 H HIS A 567 10.584 -2.703 2.972 1.00 0.00 H new ATOM 0 HA HIS A 567 9.707 -5.148 1.814 1.00 0.00 H new ATOM 0 HB2 HIS A 567 8.303 -2.459 2.082 1.00 0.00 H new ATOM 0 HB3 HIS A 567 7.520 -3.988 1.734 1.00 0.00 H new ATOM 0 HD2 HIS A 567 8.668 -1.934 4.763 1.00 0.00 H new ATOM 0 HE1 HIS A 567 7.571 -5.760 6.228 1.00 0.00 H new ATOM 0 HE2 HIS A 567 8.180 -3.376 6.878 1.00 0.00 H new ATOM 35 N ASN A 568 9.526 -4.817 -0.629 1.00 0.00 N ATOM 36 CA ASN A 568 9.533 -4.673 -2.078 1.00 0.00 C ATOM 37 C ASN A 568 8.195 -4.124 -2.551 1.00 0.00 C ATOM 38 O ASN A 568 7.450 -4.791 -3.270 1.00 0.00 O ATOM 39 CB ASN A 568 9.819 -6.019 -2.746 1.00 0.00 C ATOM 40 CG ASN A 568 9.950 -5.903 -4.252 1.00 0.00 C ATOM 41 OD1 ASN A 568 10.140 -4.811 -4.787 1.00 0.00 O ATOM 42 ND2 ASN A 568 9.848 -7.031 -4.944 1.00 0.00 N ATOM 0 H ASN A 568 9.367 -5.769 -0.300 1.00 0.00 H new ATOM 0 HA ASN A 568 10.321 -3.974 -2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 568 10.738 -6.437 -2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 568 9.017 -6.717 -2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 568 9.927 -7.014 -5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 568 9.690 -7.914 -4.459 1.00 0.00 H new ATOM 49 N PHE A 569 7.891 -2.906 -2.123 1.00 0.00 N ATOM 50 CA PHE A 569 6.638 -2.257 -2.479 1.00 0.00 C ATOM 51 C PHE A 569 6.515 -2.071 -3.986 1.00 0.00 C ATOM 52 O PHE A 569 7.351 -1.423 -4.616 1.00 0.00 O ATOM 53 CB PHE A 569 6.530 -0.905 -1.776 1.00 0.00 C ATOM 54 CG PHE A 569 6.203 -1.015 -0.317 1.00 0.00 C ATOM 55 CD1 PHE A 569 5.049 -1.656 0.100 1.00 0.00 C ATOM 56 CD2 PHE A 569 7.048 -0.474 0.638 1.00 0.00 C ATOM 57 CE1 PHE A 569 4.742 -1.756 1.444 1.00 0.00 C ATOM 58 CE2 PHE A 569 6.746 -0.569 1.983 1.00 0.00 C ATOM 59 CZ PHE A 569 5.591 -1.211 2.387 1.00 0.00 C ATOM 0 H PHE A 569 8.499 -2.346 -1.526 1.00 0.00 H new ATOM 0 HA PHE A 569 5.822 -2.902 -2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 569 7.472 -0.369 -1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 569 5.762 -0.308 -2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 569 4.381 -2.083 -0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 569 7.953 0.028 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 569 3.839 -2.260 1.756 1.00 0.00 H new ATOM 0 HE2 PHE A 569 7.412 -0.142 2.718 1.00 0.00 H new ATOM 0 HZ PHE A 569 5.353 -1.286 3.438 1.00 0.00 H new ATOM 69 N GLU A 570 5.456 -2.636 -4.553 1.00 0.00 N ATOM 70 CA GLU A 570 5.202 -2.531 -5.983 1.00 0.00 C ATOM 71 C GLU A 570 3.846 -1.881 -6.229 1.00 0.00 C ATOM 72 O GLU A 570 2.952 -1.954 -5.387 1.00 0.00 O ATOM 73 CB GLU A 570 5.249 -3.912 -6.637 1.00 0.00 C ATOM 74 CG GLU A 570 6.566 -4.639 -6.423 1.00 0.00 C ATOM 75 CD GLU A 570 6.713 -5.855 -7.317 1.00 0.00 C ATOM 76 OE1 GLU A 570 5.678 -6.443 -7.694 1.00 0.00 O ATOM 77 OE2 GLU A 570 7.864 -6.218 -7.640 1.00 0.00 O ATOM 0 H GLU A 570 4.757 -3.174 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 570 5.978 -1.909 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 570 4.438 -4.522 -6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 570 5.072 -3.805 -7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 570 7.391 -3.952 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 570 6.641 -4.948 -5.380 1.00 0.00 H new ATOM 84 N VAL A 571 3.699 -1.241 -7.381 1.00 0.00 N ATOM 85 CA VAL A 571 2.449 -0.576 -7.722 1.00 0.00 C ATOM 86 C VAL A 571 1.300 -1.574 -7.811 1.00 0.00 C ATOM 87 O VAL A 571 1.191 -2.330 -8.777 1.00 0.00 O ATOM 88 CB VAL A 571 2.561 0.184 -9.057 1.00 0.00 C ATOM 89 CG1 VAL A 571 1.321 1.031 -9.295 1.00 0.00 C ATOM 90 CG2 VAL A 571 3.816 1.043 -9.078 1.00 0.00 C ATOM 0 H VAL A 571 4.426 -1.168 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 571 2.244 0.138 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 571 2.634 -0.545 -9.864 1.00 0.00 H new ATOM 0 HG11 VAL A 571 1.418 1.560 -10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 571 0.442 0.388 -9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 571 1.213 1.753 -8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 571 3.879 1.573 -10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 571 3.776 1.765 -8.262 1.00 0.00 H new ATOM 0 HG23 VAL A 571 4.694 0.408 -8.958 1.00 0.00 H new ATOM 100 N TRP A 572 0.442 -1.565 -6.797 1.00 0.00 N ATOM 101 CA TRP A 572 -0.708 -2.461 -6.754 1.00 0.00 C ATOM 102 C TRP A 572 -2.000 -1.655 -6.644 1.00 0.00 C ATOM 103 O TRP A 572 -2.118 -0.769 -5.799 1.00 0.00 O ATOM 104 CB TRP A 572 -0.581 -3.434 -5.570 1.00 0.00 C ATOM 105 CG TRP A 572 -1.898 -3.829 -4.964 1.00 0.00 C ATOM 106 CD1 TRP A 572 -2.681 -4.890 -5.318 1.00 0.00 C ATOM 107 CD2 TRP A 572 -2.587 -3.159 -3.900 1.00 0.00 C ATOM 108 NE1 TRP A 572 -3.814 -4.920 -4.540 1.00 0.00 N ATOM 109 CE2 TRP A 572 -3.779 -3.869 -3.662 1.00 0.00 C ATOM 110 CE3 TRP A 572 -2.309 -2.029 -3.126 1.00 0.00 C ATOM 111 CZ2 TRP A 572 -4.692 -3.482 -2.683 1.00 0.00 C ATOM 112 CZ3 TRP A 572 -3.216 -1.648 -2.155 1.00 0.00 C ATOM 113 CH2 TRP A 572 -4.394 -2.373 -1.941 1.00 0.00 C ATOM 0 H TRP A 572 0.522 -0.945 -5.991 1.00 0.00 H new ATOM 0 HA TRP A 572 -0.736 -3.040 -7.677 1.00 0.00 H new ATOM 0 HB2 TRP A 572 -0.062 -4.332 -5.904 1.00 0.00 H new ATOM 0 HB3 TRP A 572 0.039 -2.975 -4.800 1.00 0.00 H new ATOM 0 HD1 TRP A 572 -2.445 -5.602 -6.095 1.00 0.00 H new ATOM 0 HE1 TRP A 572 -4.560 -5.613 -4.606 1.00 0.00 H new ATOM 0 HE3 TRP A 572 -1.402 -1.464 -3.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 572 -5.603 -4.038 -2.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 572 -3.012 -0.776 -1.551 1.00 0.00 H new ATOM 0 HH2 TRP A 572 -5.082 -2.050 -1.174 1.00 0.00 H new ATOM 124 N THR A 573 -2.965 -1.968 -7.500 1.00 0.00 N ATOM 125 CA THR A 573 -4.242 -1.268 -7.485 1.00 0.00 C ATOM 126 C THR A 573 -5.265 -2.023 -6.648 1.00 0.00 C ATOM 127 O THR A 573 -5.587 -3.177 -6.931 1.00 0.00 O ATOM 128 CB THR A 573 -4.769 -1.073 -8.907 1.00 0.00 C ATOM 129 OG1 THR A 573 -3.763 -0.537 -9.747 1.00 0.00 O ATOM 130 CG2 THR A 573 -5.967 -0.149 -8.975 1.00 0.00 C ATOM 0 H THR A 573 -2.888 -2.697 -8.209 1.00 0.00 H new ATOM 0 HA THR A 573 -4.081 -0.289 -7.035 1.00 0.00 H new ATOM 0 HB THR A 573 -5.073 -2.064 -9.243 1.00 0.00 H new ATOM 0 HG1 THR A 573 -4.120 -0.422 -10.652 1.00 0.00 H new ATOM 0 HG21 THR A 573 -6.293 -0.052 -10.010 1.00 0.00 H new ATOM 0 HG22 THR A 573 -6.779 -0.561 -8.376 1.00 0.00 H new ATOM 0 HG23 THR A 573 -5.692 0.832 -8.588 1.00 0.00 H new ATOM 138 N ALA A 574 -5.774 -1.361 -5.616 1.00 0.00 N ATOM 139 CA ALA A 574 -6.763 -1.963 -4.733 1.00 0.00 C ATOM 140 C ALA A 574 -8.054 -2.263 -5.483 1.00 0.00 C ATOM 141 O ALA A 574 -8.796 -1.353 -5.849 1.00 0.00 O ATOM 142 CB ALA A 574 -7.039 -1.049 -3.549 1.00 0.00 C ATOM 0 H ALA A 574 -5.517 -0.405 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 574 -6.359 -2.906 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 574 -7.780 -1.512 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 574 -6.116 -0.887 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 574 -7.419 -0.093 -3.908 1.00 0.00 H new ATOM 148 N THR A 575 -8.327 -3.544 -5.705 1.00 0.00 N ATOM 149 CA THR A 575 -9.541 -3.950 -6.401 1.00 0.00 C ATOM 150 C THR A 575 -10.763 -3.666 -5.534 1.00 0.00 C ATOM 151 O THR A 575 -11.866 -3.457 -6.039 1.00 0.00 O ATOM 152 CB THR A 575 -9.479 -5.435 -6.763 1.00 0.00 C ATOM 153 OG1 THR A 575 -9.258 -6.225 -5.608 1.00 0.00 O ATOM 154 CG2 THR A 575 -8.387 -5.758 -7.760 1.00 0.00 C ATOM 0 H THR A 575 -7.727 -4.316 -5.414 1.00 0.00 H new ATOM 0 HA THR A 575 -9.623 -3.374 -7.323 1.00 0.00 H new ATOM 0 HB THR A 575 -10.443 -5.665 -7.216 1.00 0.00 H new ATOM 0 HG1 THR A 575 -9.223 -7.171 -5.861 1.00 0.00 H new ATOM 0 HG21 THR A 575 -8.395 -6.826 -7.975 1.00 0.00 H new ATOM 0 HG22 THR A 575 -8.559 -5.201 -8.681 1.00 0.00 H new ATOM 0 HG23 THR A 575 -7.419 -5.480 -7.343 1.00 0.00 H new ATOM 162 N THR A 576 -10.547 -3.649 -4.222 1.00 0.00 N ATOM 163 CA THR A 576 -11.610 -3.380 -3.264 1.00 0.00 C ATOM 164 C THR A 576 -11.080 -2.501 -2.134 1.00 0.00 C ATOM 165 O THR A 576 -9.869 -2.403 -1.937 1.00 0.00 O ATOM 166 CB THR A 576 -12.163 -4.689 -2.699 1.00 0.00 C ATOM 167 OG1 THR A 576 -11.113 -5.598 -2.422 1.00 0.00 O ATOM 168 CG2 THR A 576 -13.136 -5.379 -3.630 1.00 0.00 C ATOM 0 H THR A 576 -9.636 -3.820 -3.797 1.00 0.00 H new ATOM 0 HA THR A 576 -12.418 -2.855 -3.774 1.00 0.00 H new ATOM 0 HB THR A 576 -12.694 -4.410 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 576 -11.486 -6.429 -2.060 1.00 0.00 H new ATOM 0 HG21 THR A 576 -13.490 -6.301 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 576 -13.983 -4.721 -3.823 1.00 0.00 H new ATOM 0 HG23 THR A 576 -12.636 -5.613 -4.570 1.00 0.00 H new ATOM 176 N PRO A 577 -11.974 -1.848 -1.373 1.00 0.00 N ATOM 177 CA PRO A 577 -11.575 -0.980 -0.264 1.00 0.00 C ATOM 178 C PRO A 577 -10.479 -1.602 0.597 1.00 0.00 C ATOM 179 O PRO A 577 -10.711 -2.582 1.304 1.00 0.00 O ATOM 180 CB PRO A 577 -12.863 -0.829 0.538 1.00 0.00 C ATOM 181 CG PRO A 577 -13.951 -0.958 -0.473 1.00 0.00 C ATOM 182 CD PRO A 577 -13.440 -1.904 -1.531 1.00 0.00 C ATOM 0 HA PRO A 577 -11.157 -0.036 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -12.943 -1.597 1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -12.904 0.135 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -14.862 -1.343 -0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -14.196 0.012 -0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -13.820 -2.915 -1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -13.747 -1.592 -2.529 1.00 0.00 H new ATOM 190 N THR A 578 -9.282 -1.028 0.529 1.00 0.00 N ATOM 191 CA THR A 578 -8.148 -1.529 1.299 1.00 0.00 C ATOM 192 C THR A 578 -7.495 -0.408 2.107 1.00 0.00 C ATOM 193 O THR A 578 -7.260 0.686 1.595 1.00 0.00 O ATOM 194 CB THR A 578 -7.120 -2.186 0.370 1.00 0.00 C ATOM 195 OG1 THR A 578 -7.690 -3.299 -0.295 1.00 0.00 O ATOM 196 CG2 THR A 578 -5.881 -2.671 1.093 1.00 0.00 C ATOM 0 H THR A 578 -9.072 -0.216 -0.051 1.00 0.00 H new ATOM 0 HA THR A 578 -8.519 -2.279 1.998 1.00 0.00 H new ATOM 0 HB THR A 578 -6.828 -1.408 -0.335 1.00 0.00 H new ATOM 0 HG1 THR A 578 -8.436 -2.999 -0.856 1.00 0.00 H new ATOM 0 HG21 THR A 578 -5.196 -3.125 0.377 1.00 0.00 H new ATOM 0 HG22 THR A 578 -5.391 -1.828 1.580 1.00 0.00 H new ATOM 0 HG23 THR A 578 -6.163 -3.410 1.843 1.00 0.00 H new ATOM 204 N TYR A 579 -7.208 -0.693 3.375 1.00 0.00 N ATOM 205 CA TYR A 579 -6.584 0.284 4.266 1.00 0.00 C ATOM 206 C TYR A 579 -5.067 0.284 4.104 1.00 0.00 C ATOM 207 O TYR A 579 -4.477 -0.707 3.674 1.00 0.00 O ATOM 208 CB TYR A 579 -6.950 -0.025 5.720 1.00 0.00 C ATOM 209 CG TYR A 579 -8.438 -0.002 5.981 1.00 0.00 C ATOM 210 CD1 TYR A 579 -9.221 1.046 5.520 1.00 0.00 C ATOM 211 CD2 TYR A 579 -9.059 -1.025 6.684 1.00 0.00 C ATOM 212 CE1 TYR A 579 -10.582 1.076 5.750 1.00 0.00 C ATOM 213 CE2 TYR A 579 -10.422 -1.004 6.919 1.00 0.00 C ATOM 214 CZ TYR A 579 -11.178 0.049 6.449 1.00 0.00 C ATOM 215 OH TYR A 579 -12.535 0.075 6.681 1.00 0.00 O ATOM 0 H TYR A 579 -7.398 -1.596 3.810 1.00 0.00 H new ATOM 0 HA TYR A 579 -6.957 1.273 4.000 1.00 0.00 H new ATOM 0 HB2 TYR A 579 -6.557 -1.006 5.985 1.00 0.00 H new ATOM 0 HB3 TYR A 579 -6.463 0.700 6.372 1.00 0.00 H new ATOM 0 HD1 TYR A 579 -8.758 1.853 4.971 1.00 0.00 H new ATOM 0 HD2 TYR A 579 -8.469 -1.851 7.053 1.00 0.00 H new ATOM 0 HE1 TYR A 579 -11.176 1.900 5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 579 -10.891 -1.808 7.467 1.00 0.00 H new ATOM 0 HH TYR A 579 -12.796 -0.723 7.186 1.00 0.00 H new ATOM 225 N CYS A 580 -4.441 1.404 4.455 1.00 0.00 N ATOM 226 CA CYS A 580 -2.991 1.540 4.355 1.00 0.00 C ATOM 227 C CYS A 580 -2.316 1.104 5.651 1.00 0.00 C ATOM 228 O CYS A 580 -2.537 1.691 6.705 1.00 0.00 O ATOM 229 CB CYS A 580 -2.622 2.991 4.030 1.00 0.00 C ATOM 230 SG CYS A 580 -0.844 3.305 3.937 1.00 0.00 S ATOM 0 H CYS A 580 -4.917 2.233 4.812 1.00 0.00 H new ATOM 0 HA CYS A 580 -2.638 0.894 3.551 1.00 0.00 H new ATOM 0 HB2 CYS A 580 -3.077 3.265 3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 580 -3.055 3.642 4.789 1.00 0.00 H new ATOM 235 N TYR A 581 -1.488 0.070 5.563 1.00 0.00 N ATOM 236 CA TYR A 581 -0.776 -0.442 6.728 1.00 0.00 C ATOM 237 C TYR A 581 0.064 0.650 7.392 1.00 0.00 C ATOM 238 O TYR A 581 0.445 0.532 8.556 1.00 0.00 O ATOM 239 CB TYR A 581 0.124 -1.609 6.318 1.00 0.00 C ATOM 240 CG TYR A 581 0.068 -2.781 7.267 1.00 0.00 C ATOM 241 CD1 TYR A 581 -1.118 -3.469 7.477 1.00 0.00 C ATOM 242 CD2 TYR A 581 1.202 -3.199 7.951 1.00 0.00 C ATOM 243 CE1 TYR A 581 -1.175 -4.544 8.345 1.00 0.00 C ATOM 244 CE2 TYR A 581 1.154 -4.272 8.820 1.00 0.00 C ATOM 245 CZ TYR A 581 -0.036 -4.941 9.013 1.00 0.00 C ATOM 246 OH TYR A 581 -0.087 -6.010 9.878 1.00 0.00 O ATOM 0 H TYR A 581 -1.293 -0.431 4.696 1.00 0.00 H new ATOM 0 HA TYR A 581 -1.517 -0.787 7.450 1.00 0.00 H new ATOM 0 HB2 TYR A 581 -0.164 -1.945 5.322 1.00 0.00 H new ATOM 0 HB3 TYR A 581 1.153 -1.256 6.251 1.00 0.00 H new ATOM 0 HD1 TYR A 581 -2.011 -3.160 6.954 1.00 0.00 H new ATOM 0 HD2 TYR A 581 2.136 -2.677 7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 581 -2.106 -5.069 8.499 1.00 0.00 H new ATOM 0 HE2 TYR A 581 2.044 -4.585 9.345 1.00 0.00 H new ATOM 0 HH TYR A 581 0.801 -6.160 10.266 1.00 0.00 H new ATOM 256 N GLU A 582 0.363 1.703 6.636 1.00 0.00 N ATOM 257 CA GLU A 582 1.174 2.807 7.143 1.00 0.00 C ATOM 258 C GLU A 582 0.370 3.749 8.040 1.00 0.00 C ATOM 259 O GLU A 582 0.735 3.975 9.194 1.00 0.00 O ATOM 260 CB GLU A 582 1.773 3.595 5.976 1.00 0.00 C ATOM 261 CG GLU A 582 3.041 4.352 6.338 1.00 0.00 C ATOM 262 CD GLU A 582 2.818 5.370 7.440 1.00 0.00 C ATOM 263 OE1 GLU A 582 1.762 6.037 7.426 1.00 0.00 O ATOM 264 OE2 GLU A 582 3.698 5.501 8.316 1.00 0.00 O ATOM 0 H GLU A 582 0.056 1.815 5.670 1.00 0.00 H new ATOM 0 HA GLU A 582 1.971 2.374 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 582 1.991 2.908 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 582 1.030 4.303 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 582 3.806 3.642 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 582 3.423 4.859 5.452 1.00 0.00 H new ATOM 271 N CYS A 583 -0.711 4.311 7.505 1.00 0.00 N ATOM 272 CA CYS A 583 -1.541 5.242 8.267 1.00 0.00 C ATOM 273 C CYS A 583 -2.963 4.719 8.453 1.00 0.00 C ATOM 274 O CYS A 583 -3.868 5.478 8.800 1.00 0.00 O ATOM 275 CB CYS A 583 -1.581 6.601 7.566 1.00 0.00 C ATOM 276 SG CYS A 583 -2.248 6.543 5.886 1.00 0.00 S ATOM 0 H CYS A 583 -1.032 4.140 6.552 1.00 0.00 H new ATOM 0 HA CYS A 583 -1.092 5.347 9.255 1.00 0.00 H new ATOM 0 HB2 CYS A 583 -2.183 7.288 8.161 1.00 0.00 H new ATOM 0 HB3 CYS A 583 -0.571 7.010 7.531 1.00 0.00 H new ATOM 281 N GLU A 584 -3.158 3.425 8.224 1.00 0.00 N ATOM 282 CA GLU A 584 -4.474 2.806 8.368 1.00 0.00 C ATOM 283 C GLU A 584 -5.557 3.650 7.694 1.00 0.00 C ATOM 284 O GLU A 584 -6.569 3.984 8.310 1.00 0.00 O ATOM 285 CB GLU A 584 -4.808 2.613 9.849 1.00 0.00 C ATOM 286 CG GLU A 584 -3.697 1.943 10.640 1.00 0.00 C ATOM 287 CD GLU A 584 -4.056 1.752 12.101 1.00 0.00 C ATOM 288 OE1 GLU A 584 -4.829 2.574 12.635 1.00 0.00 O ATOM 289 OE2 GLU A 584 -3.564 0.779 12.711 1.00 0.00 O ATOM 0 H GLU A 584 -2.420 2.782 7.937 1.00 0.00 H new ATOM 0 HA GLU A 584 -4.444 1.833 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 584 -5.025 3.584 10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 584 -5.715 2.014 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 584 -3.473 0.974 10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 584 -2.791 2.544 10.568 1.00 0.00 H new ATOM 296 N GLY A 585 -5.335 3.994 6.430 1.00 0.00 N ATOM 297 CA GLY A 585 -6.296 4.800 5.703 1.00 0.00 C ATOM 298 C GLY A 585 -6.747 4.158 4.405 1.00 0.00 C ATOM 299 O GLY A 585 -5.929 3.849 3.537 1.00 0.00 O ATOM 0 H GLY A 585 -4.507 3.729 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 585 -7.166 4.977 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 585 -5.856 5.773 5.487 1.00 0.00 H new ATOM 303 N LEU A 586 -8.056 3.966 4.272 1.00 0.00 N ATOM 304 CA LEU A 586 -8.641 3.366 3.077 1.00 0.00 C ATOM 305 C LEU A 586 -8.060 3.984 1.806 1.00 0.00 C ATOM 306 O LEU A 586 -7.958 5.205 1.689 1.00 0.00 O ATOM 307 CB LEU A 586 -10.157 3.551 3.097 1.00 0.00 C ATOM 308 CG LEU A 586 -10.911 2.803 2.001 1.00 0.00 C ATOM 309 CD1 LEU A 586 -11.051 1.332 2.355 1.00 0.00 C ATOM 310 CD2 LEU A 586 -12.278 3.432 1.774 1.00 0.00 C ATOM 0 H LEU A 586 -8.739 4.221 4.986 1.00 0.00 H new ATOM 0 HA LEU A 586 -8.401 2.303 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -10.535 3.224 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -10.380 4.614 3.010 1.00 0.00 H new ATOM 0 HG LEU A 586 -10.339 2.878 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -11.591 0.817 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -10.061 0.889 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -11.601 1.234 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -12.803 2.887 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -12.857 3.388 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -12.154 4.472 1.473 1.00 0.00 H new ATOM 322 N LEU A 587 -7.682 3.130 0.860 1.00 0.00 N ATOM 323 CA LEU A 587 -7.113 3.590 -0.403 1.00 0.00 C ATOM 324 C LEU A 587 -8.197 3.725 -1.468 1.00 0.00 C ATOM 325 O LEU A 587 -7.999 3.348 -2.623 1.00 0.00 O ATOM 326 CB LEU A 587 -6.030 2.621 -0.882 1.00 0.00 C ATOM 327 CG LEU A 587 -4.759 2.593 -0.028 1.00 0.00 C ATOM 328 CD1 LEU A 587 -4.713 1.335 0.825 1.00 0.00 C ATOM 329 CD2 LEU A 587 -3.522 2.688 -0.909 1.00 0.00 C ATOM 0 H LEU A 587 -7.759 2.116 0.943 1.00 0.00 H new ATOM 0 HA LEU A 587 -6.666 4.570 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 587 -6.451 1.616 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 587 -5.757 2.883 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 587 -4.774 3.456 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -3.802 1.335 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -5.581 1.310 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -4.723 0.457 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -2.628 2.667 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -3.502 1.846 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 587 -3.548 3.620 -1.474 1.00 0.00 H new ATOM 341 N TRP A 588 -9.345 4.264 -1.070 1.00 0.00 N ATOM 342 CA TRP A 588 -10.465 4.447 -1.986 1.00 0.00 C ATOM 343 C TRP A 588 -10.698 5.929 -2.264 1.00 0.00 C ATOM 344 O TRP A 588 -9.851 6.769 -1.961 1.00 0.00 O ATOM 345 CB TRP A 588 -11.731 3.813 -1.403 1.00 0.00 C ATOM 346 CG TRP A 588 -12.412 2.880 -2.354 1.00 0.00 C ATOM 347 CD1 TRP A 588 -13.745 2.827 -2.644 1.00 0.00 C ATOM 348 CD2 TRP A 588 -11.789 1.863 -3.140 1.00 0.00 C ATOM 349 NE1 TRP A 588 -13.986 1.838 -3.568 1.00 0.00 N ATOM 350 CE2 TRP A 588 -12.799 1.232 -3.887 1.00 0.00 C ATOM 351 CE3 TRP A 588 -10.471 1.428 -3.283 1.00 0.00 C ATOM 352 CZ2 TRP A 588 -12.530 0.187 -4.767 1.00 0.00 C ATOM 353 CZ3 TRP A 588 -10.204 0.392 -4.153 1.00 0.00 C ATOM 354 CH2 TRP A 588 -11.227 -0.218 -4.887 1.00 0.00 C ATOM 0 H TRP A 588 -9.524 4.582 -0.118 1.00 0.00 H new ATOM 0 HA TRP A 588 -10.224 3.955 -2.928 1.00 0.00 H new ATOM 0 HB2 TRP A 588 -11.473 3.270 -0.494 1.00 0.00 H new ATOM 0 HB3 TRP A 588 -12.427 4.602 -1.117 1.00 0.00 H new ATOM 0 HD1 TRP A 588 -14.499 3.468 -2.211 1.00 0.00 H new ATOM 0 HE1 TRP A 588 -14.899 1.595 -3.953 1.00 0.00 H new ATOM 0 HE3 TRP A 588 -9.674 1.894 -2.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 588 -13.319 -0.286 -5.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 588 -9.188 0.046 -4.270 1.00 0.00 H new ATOM 0 HH2 TRP A 588 -10.984 -1.025 -5.562 1.00 0.00 H new ATOM 365 N GLY A 589 -11.854 6.244 -2.843 1.00 0.00 N ATOM 366 CA GLY A 589 -12.175 7.625 -3.152 1.00 0.00 C ATOM 367 C GLY A 589 -12.179 7.900 -4.641 1.00 0.00 C ATOM 368 O GLY A 589 -13.239 8.051 -5.250 1.00 0.00 O ATOM 0 H GLY A 589 -12.572 5.568 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 589 -13.154 7.869 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 589 -11.452 8.280 -2.667 1.00 0.00 H new ATOM 372 N ILE A 590 -10.990 7.966 -5.231 1.00 0.00 N ATOM 373 CA ILE A 590 -10.857 8.224 -6.658 1.00 0.00 C ATOM 374 C ILE A 590 -9.887 7.244 -7.305 1.00 0.00 C ATOM 375 O ILE A 590 -10.262 6.480 -8.195 1.00 0.00 O ATOM 376 CB ILE A 590 -10.374 9.663 -6.927 1.00 0.00 C ATOM 377 CG1 ILE A 590 -11.270 10.669 -6.201 1.00 0.00 C ATOM 378 CG2 ILE A 590 -10.350 9.947 -8.421 1.00 0.00 C ATOM 379 CD1 ILE A 590 -12.712 10.631 -6.656 1.00 0.00 C ATOM 0 H ILE A 590 -10.104 7.844 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 590 -11.846 8.094 -7.097 1.00 0.00 H new ATOM 0 HB ILE A 590 -9.359 9.766 -6.544 1.00 0.00 H new ATOM 0 HG12 ILE A 590 -11.230 10.472 -5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 590 -10.875 11.673 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 590 -10.007 10.967 -8.592 1.00 0.00 H new ATOM 0 HG22 ILE A 590 -9.673 9.249 -8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 590 -11.353 9.829 -8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 590 -13.289 11.370 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 590 -12.764 10.858 -7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 590 -13.124 9.638 -6.476 1.00 0.00 H new ATOM 391 N ALA A 591 -8.639 7.269 -6.854 1.00 0.00 N ATOM 392 CA ALA A 591 -7.619 6.380 -7.394 1.00 0.00 C ATOM 393 C ALA A 591 -7.365 5.202 -6.464 1.00 0.00 C ATOM 394 O ALA A 591 -6.510 5.265 -5.581 1.00 0.00 O ATOM 395 CB ALA A 591 -6.326 7.142 -7.645 1.00 0.00 C ATOM 0 H ALA A 591 -8.310 7.893 -6.118 1.00 0.00 H new ATOM 0 HA ALA A 591 -7.987 5.988 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 591 -5.575 6.462 -8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 591 -6.510 7.945 -8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 591 -5.966 7.566 -6.708 1.00 0.00 H new ATOM 401 N ARG A 592 -8.110 4.122 -6.677 1.00 0.00 N ATOM 402 CA ARG A 592 -7.966 2.916 -5.865 1.00 0.00 C ATOM 403 C ARG A 592 -6.513 2.438 -5.841 1.00 0.00 C ATOM 404 O ARG A 592 -6.108 1.707 -4.938 1.00 0.00 O ATOM 405 CB ARG A 592 -8.869 1.806 -6.400 1.00 0.00 C ATOM 406 CG ARG A 592 -8.899 1.716 -7.918 1.00 0.00 C ATOM 407 CD ARG A 592 -9.482 0.394 -8.388 1.00 0.00 C ATOM 408 NE ARG A 592 -9.313 0.199 -9.826 1.00 0.00 N ATOM 409 CZ ARG A 592 -9.983 -0.706 -10.536 1.00 0.00 C ATOM 410 NH1 ARG A 592 -10.869 -1.499 -9.946 1.00 0.00 N ATOM 411 NH2 ARG A 592 -9.768 -0.817 -11.839 1.00 0.00 N ATOM 0 H ARG A 592 -8.821 4.056 -7.406 1.00 0.00 H new ATOM 0 HA ARG A 592 -8.264 3.161 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -8.533 0.851 -5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -9.883 1.968 -6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -9.490 2.539 -8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -7.888 1.828 -8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -9.001 -0.425 -7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -10.543 0.357 -8.140 1.00 0.00 H new ATOM 0 HE ARG A 592 -8.642 0.791 -10.315 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -11.039 -1.417 -8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -11.380 -2.191 -10.495 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -9.089 -0.209 -12.298 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -10.281 -1.510 -12.383 1.00 0.00 H new ATOM 425 N GLN A 593 -5.738 2.856 -6.843 1.00 0.00 N ATOM 426 CA GLN A 593 -4.328 2.476 -6.951 1.00 0.00 C ATOM 427 C GLN A 593 -3.626 2.516 -5.594 1.00 0.00 C ATOM 428 O GLN A 593 -4.056 3.220 -4.680 1.00 0.00 O ATOM 429 CB GLN A 593 -3.607 3.402 -7.931 1.00 0.00 C ATOM 430 CG GLN A 593 -2.172 2.988 -8.216 1.00 0.00 C ATOM 431 CD GLN A 593 -1.577 3.724 -9.401 1.00 0.00 C ATOM 432 OE1 GLN A 593 -1.628 4.952 -9.472 1.00 0.00 O ATOM 433 NE2 GLN A 593 -1.010 2.975 -10.339 1.00 0.00 N ATOM 0 H GLN A 593 -6.065 3.461 -7.596 1.00 0.00 H new ATOM 0 HA GLN A 593 -4.291 1.451 -7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -4.162 3.428 -8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -3.611 4.416 -7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -1.561 3.176 -7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -2.138 1.915 -8.405 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -0.991 1.960 -10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -0.594 3.414 -11.160 1.00 0.00 H new ATOM 442 N GLY A 594 -2.542 1.752 -5.471 1.00 0.00 N ATOM 443 CA GLY A 594 -1.796 1.712 -4.226 1.00 0.00 C ATOM 444 C GLY A 594 -0.475 0.982 -4.362 1.00 0.00 C ATOM 445 O GLY A 594 -0.053 0.639 -5.466 1.00 0.00 O ATOM 0 H GLY A 594 -2.168 1.160 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -1.611 2.730 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -2.399 1.224 -3.461 1.00 0.00 H new ATOM 449 N MET A 595 0.177 0.744 -3.229 1.00 0.00 N ATOM 450 CA MET A 595 1.459 0.051 -3.203 1.00 0.00 C ATOM 451 C MET A 595 1.381 -1.178 -2.303 1.00 0.00 C ATOM 452 O MET A 595 0.692 -1.163 -1.286 1.00 0.00 O ATOM 453 CB MET A 595 2.552 0.995 -2.703 1.00 0.00 C ATOM 454 CG MET A 595 2.903 2.096 -3.690 1.00 0.00 C ATOM 455 SD MET A 595 3.718 1.465 -5.167 1.00 0.00 S ATOM 456 CE MET A 595 4.992 0.444 -4.434 1.00 0.00 C ATOM 0 H MET A 595 -0.165 1.024 -2.310 1.00 0.00 H new ATOM 0 HA MET A 595 1.702 -0.272 -4.215 1.00 0.00 H new ATOM 0 HB2 MET A 595 2.228 1.448 -1.766 1.00 0.00 H new ATOM 0 HB3 MET A 595 3.449 0.415 -2.484 1.00 0.00 H new ATOM 0 HG2 MET A 595 1.994 2.624 -3.978 1.00 0.00 H new ATOM 0 HG3 MET A 595 3.553 2.823 -3.203 1.00 0.00 H new ATOM 0 HE1 MET A 595 5.661 0.081 -5.214 1.00 0.00 H new ATOM 0 HE2 MET A 595 5.560 1.032 -3.713 1.00 0.00 H new ATOM 0 HE3 MET A 595 4.532 -0.404 -3.927 1.00 0.00 H new ATOM 466 N ARG A 596 2.080 -2.245 -2.681 1.00 0.00 N ATOM 467 CA ARG A 596 2.066 -3.470 -1.891 1.00 0.00 C ATOM 468 C ARG A 596 3.407 -4.194 -1.962 1.00 0.00 C ATOM 469 O ARG A 596 4.036 -4.260 -3.018 1.00 0.00 O ATOM 470 CB ARG A 596 0.942 -4.392 -2.377 1.00 0.00 C ATOM 471 CG ARG A 596 0.987 -5.800 -1.798 1.00 0.00 C ATOM 472 CD ARG A 596 0.527 -6.827 -2.818 1.00 0.00 C ATOM 473 NE ARG A 596 0.643 -8.194 -2.312 1.00 0.00 N ATOM 474 CZ ARG A 596 0.689 -9.271 -3.092 1.00 0.00 C ATOM 475 NH1 ARG A 596 0.626 -9.148 -4.413 1.00 0.00 N ATOM 476 NH2 ARG A 596 0.797 -10.476 -2.550 1.00 0.00 N ATOM 0 H ARG A 596 2.657 -2.286 -3.521 1.00 0.00 H new ATOM 0 HA ARG A 596 1.888 -3.199 -0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -0.017 -3.939 -2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 596 0.987 -4.458 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 596 2.002 -6.032 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 596 0.353 -5.853 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -0.510 -6.628 -3.090 1.00 0.00 H new ATOM 0 HD3 ARG A 596 1.120 -6.726 -3.727 1.00 0.00 H new ATOM 0 HE ARG A 596 0.691 -8.330 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 596 0.542 -8.224 -4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 596 0.662 -9.978 -5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 596 0.845 -10.577 -1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 596 0.832 -11.302 -3.147 1.00 0.00 H new ATOM 490 N CYS A 597 3.825 -4.751 -0.830 1.00 0.00 N ATOM 491 CA CYS A 597 5.078 -5.491 -0.757 1.00 0.00 C ATOM 492 C CYS A 597 4.894 -6.895 -1.327 1.00 0.00 C ATOM 493 O CYS A 597 3.858 -7.527 -1.117 1.00 0.00 O ATOM 494 CB CYS A 597 5.560 -5.570 0.695 1.00 0.00 C ATOM 495 SG CYS A 597 7.102 -6.489 0.920 1.00 0.00 S ATOM 0 H CYS A 597 3.313 -4.703 0.051 1.00 0.00 H new ATOM 0 HA CYS A 597 5.829 -4.968 -1.349 1.00 0.00 H new ATOM 0 HB2 CYS A 597 5.695 -4.558 1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 597 4.782 -6.036 1.299 1.00 0.00 H new ATOM 500 N THR A 598 5.898 -7.380 -2.051 1.00 0.00 N ATOM 501 CA THR A 598 5.833 -8.712 -2.650 1.00 0.00 C ATOM 502 C THR A 598 6.539 -9.736 -1.769 1.00 0.00 C ATOM 503 O THR A 598 7.077 -10.729 -2.260 1.00 0.00 O ATOM 504 CB THR A 598 6.461 -8.705 -4.048 1.00 0.00 C ATOM 505 OG1 THR A 598 7.870 -8.838 -3.970 1.00 0.00 O ATOM 506 CG2 THR A 598 6.161 -7.450 -4.839 1.00 0.00 C ATOM 0 H THR A 598 6.764 -6.874 -2.238 1.00 0.00 H new ATOM 0 HA THR A 598 4.783 -8.991 -2.736 1.00 0.00 H new ATOM 0 HB THR A 598 6.013 -9.554 -4.564 1.00 0.00 H new ATOM 0 HG1 THR A 598 8.097 -9.738 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 598 6.637 -7.514 -5.818 1.00 0.00 H new ATOM 0 HG22 THR A 598 5.083 -7.349 -4.966 1.00 0.00 H new ATOM 0 HG23 THR A 598 6.547 -6.582 -4.304 1.00 0.00 H new ATOM 514 N GLU A 599 6.533 -9.486 -0.465 1.00 0.00 N ATOM 515 CA GLU A 599 7.174 -10.382 0.490 1.00 0.00 C ATOM 516 C GLU A 599 6.288 -10.598 1.713 1.00 0.00 C ATOM 517 O GLU A 599 6.175 -11.714 2.220 1.00 0.00 O ATOM 518 CB GLU A 599 8.530 -9.819 0.925 1.00 0.00 C ATOM 519 CG GLU A 599 9.282 -9.106 -0.188 1.00 0.00 C ATOM 520 CD GLU A 599 10.782 -9.310 -0.099 1.00 0.00 C ATOM 521 OE1 GLU A 599 11.262 -10.378 -0.531 1.00 0.00 O ATOM 522 OE2 GLU A 599 11.475 -8.399 0.400 1.00 0.00 O ATOM 0 H GLU A 599 6.091 -8.669 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 599 7.328 -11.342 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 599 8.377 -9.124 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 599 9.147 -10.634 1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 599 8.926 -9.468 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 599 9.061 -8.040 -0.146 1.00 0.00 H new ATOM 529 N CYS A 600 5.662 -9.523 2.185 1.00 0.00 N ATOM 530 CA CYS A 600 4.790 -9.600 3.351 1.00 0.00 C ATOM 531 C CYS A 600 3.338 -9.326 2.970 1.00 0.00 C ATOM 532 O CYS A 600 2.416 -9.707 3.691 1.00 0.00 O ATOM 533 CB CYS A 600 5.242 -8.601 4.420 1.00 0.00 C ATOM 534 SG CYS A 600 7.036 -8.500 4.629 1.00 0.00 S ATOM 0 H CYS A 600 5.743 -8.591 1.778 1.00 0.00 H new ATOM 0 HA CYS A 600 4.857 -10.611 3.753 1.00 0.00 H new ATOM 0 HB2 CYS A 600 4.861 -7.613 4.162 1.00 0.00 H new ATOM 0 HB3 CYS A 600 4.791 -8.877 5.373 1.00 0.00 H new ATOM 539 N GLY A 601 3.140 -8.663 1.835 1.00 0.00 N ATOM 540 CA GLY A 601 1.796 -8.351 1.386 1.00 0.00 C ATOM 541 C GLY A 601 1.290 -7.028 1.931 1.00 0.00 C ATOM 542 O GLY A 601 0.140 -6.658 1.700 1.00 0.00 O ATOM 0 H GLY A 601 3.885 -8.337 1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 601 1.779 -8.321 0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 601 1.120 -9.149 1.694 1.00 0.00 H new ATOM 546 N VAL A 602 2.148 -6.313 2.656 1.00 0.00 N ATOM 547 CA VAL A 602 1.772 -5.027 3.228 1.00 0.00 C ATOM 548 C VAL A 602 1.391 -4.035 2.135 1.00 0.00 C ATOM 549 O VAL A 602 2.200 -3.707 1.269 1.00 0.00 O ATOM 550 CB VAL A 602 2.915 -4.436 4.081 1.00 0.00 C ATOM 551 CG1 VAL A 602 4.178 -4.250 3.248 1.00 0.00 C ATOM 552 CG2 VAL A 602 2.485 -3.120 4.715 1.00 0.00 C ATOM 0 H VAL A 602 3.104 -6.603 2.859 1.00 0.00 H new ATOM 0 HA VAL A 602 0.909 -5.201 3.870 1.00 0.00 H new ATOM 0 HB VAL A 602 3.142 -5.142 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 602 4.968 -3.832 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 602 4.499 -5.214 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.972 -3.570 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 602 3.304 -2.719 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 602 2.224 -2.407 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 602 1.619 -3.290 5.355 1.00 0.00 H new ATOM 562 N LYS A 603 0.151 -3.559 2.177 1.00 0.00 N ATOM 563 CA LYS A 603 -0.325 -2.605 1.184 1.00 0.00 C ATOM 564 C LYS A 603 -0.402 -1.201 1.774 1.00 0.00 C ATOM 565 O LYS A 603 -0.827 -1.017 2.914 1.00 0.00 O ATOM 566 CB LYS A 603 -1.696 -3.019 0.651 1.00 0.00 C ATOM 567 CG LYS A 603 -1.830 -4.514 0.414 1.00 0.00 C ATOM 568 CD LYS A 603 -2.242 -4.825 -1.018 1.00 0.00 C ATOM 569 CE LYS A 603 -3.404 -5.803 -1.064 1.00 0.00 C ATOM 570 NZ LYS A 603 -2.962 -7.203 -0.818 1.00 0.00 N ATOM 0 H LYS A 603 -0.538 -3.817 2.884 1.00 0.00 H new ATOM 0 HA LYS A 603 0.387 -2.599 0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 603 -2.462 -2.701 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 603 -1.887 -2.493 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 603 -0.881 -5.003 0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 603 -2.568 -4.926 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 603 -2.522 -3.902 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 603 -1.393 -5.242 -1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 603 -4.146 -5.520 -0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 603 -3.891 -5.742 -2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 -3.784 -7.839 -0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 -2.273 -7.482 -1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 -2.520 -7.267 0.121 1.00 0.00 H new ATOM 584 N CYS A 604 0.013 -0.215 0.989 1.00 0.00 N ATOM 585 CA CYS A 604 -0.002 1.176 1.429 1.00 0.00 C ATOM 586 C CYS A 604 -0.239 2.117 0.253 1.00 0.00 C ATOM 587 O CYS A 604 -0.341 1.680 -0.892 1.00 0.00 O ATOM 588 CB CYS A 604 1.313 1.532 2.127 1.00 0.00 C ATOM 589 SG CYS A 604 2.772 0.729 1.421 1.00 0.00 S ATOM 0 H CYS A 604 0.365 -0.352 0.042 1.00 0.00 H new ATOM 0 HA CYS A 604 -0.822 1.295 2.137 1.00 0.00 H new ATOM 0 HB2 CYS A 604 1.452 2.612 2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 604 1.237 1.260 3.180 1.00 0.00 H new ATOM 0 HG CYS A 604 2.945 -0.430 1.984 1.00 0.00 H new ATOM 595 N HIS A 605 -0.315 3.412 0.542 1.00 0.00 N ATOM 596 CA HIS A 605 -0.525 4.413 -0.494 1.00 0.00 C ATOM 597 C HIS A 605 0.753 4.611 -1.305 1.00 0.00 C ATOM 598 O HIS A 605 1.752 3.929 -1.077 1.00 0.00 O ATOM 599 CB HIS A 605 -0.969 5.739 0.133 1.00 0.00 C ATOM 600 CG HIS A 605 -2.388 5.730 0.619 1.00 0.00 C ATOM 601 ND1 HIS A 605 -2.731 5.621 1.952 1.00 0.00 N ATOM 602 CD2 HIS A 605 -3.559 5.816 -0.059 1.00 0.00 C ATOM 603 CE1 HIS A 605 -4.045 5.638 2.072 1.00 0.00 C ATOM 604 NE2 HIS A 605 -4.572 5.758 0.867 1.00 0.00 N ATOM 0 H HIS A 605 -0.234 3.791 1.485 1.00 0.00 H new ATOM 0 HA HIS A 605 -1.311 4.064 -1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.310 5.975 0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.851 6.536 -0.601 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -3.674 5.912 -1.129 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -4.596 5.566 2.998 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.569 5.801 0.658 1.00 0.00 H new ATOM 612 N GLU A 606 0.717 5.539 -2.255 1.00 0.00 N ATOM 613 CA GLU A 606 1.878 5.810 -3.099 1.00 0.00 C ATOM 614 C GLU A 606 2.962 6.559 -2.325 1.00 0.00 C ATOM 615 O GLU A 606 4.152 6.375 -2.574 1.00 0.00 O ATOM 616 CB GLU A 606 1.461 6.620 -4.327 1.00 0.00 C ATOM 617 CG GLU A 606 2.260 6.285 -5.576 1.00 0.00 C ATOM 618 CD GLU A 606 3.105 7.448 -6.059 1.00 0.00 C ATOM 619 OE1 GLU A 606 3.686 8.155 -5.208 1.00 0.00 O ATOM 620 OE2 GLU A 606 3.187 7.652 -7.289 1.00 0.00 O ATOM 0 H GLU A 606 -0.099 6.115 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 606 2.289 4.853 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 606 0.403 6.446 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 606 1.574 7.682 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 606 2.907 5.432 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 606 1.577 5.983 -6.370 1.00 0.00 H new ATOM 627 N LYS A 607 2.544 7.406 -1.391 1.00 0.00 N ATOM 628 CA LYS A 607 3.485 8.180 -0.589 1.00 0.00 C ATOM 629 C LYS A 607 3.863 7.432 0.686 1.00 0.00 C ATOM 630 O LYS A 607 4.989 7.541 1.175 1.00 0.00 O ATOM 631 CB LYS A 607 2.888 9.545 -0.237 1.00 0.00 C ATOM 632 CG LYS A 607 1.467 9.468 0.300 1.00 0.00 C ATOM 633 CD LYS A 607 1.281 10.355 1.521 1.00 0.00 C ATOM 634 CE LYS A 607 1.230 11.826 1.139 1.00 0.00 C ATOM 635 NZ LYS A 607 1.264 12.711 2.336 1.00 0.00 N ATOM 0 H LYS A 607 1.562 7.574 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 607 4.388 8.328 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 607 3.522 10.029 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 607 2.898 10.177 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 607 0.766 9.769 -0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 607 1.231 8.436 0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 607 0.360 10.079 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 607 2.099 10.188 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 607 2.073 12.062 0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 607 0.322 12.022 0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 1.228 13.705 2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 0.446 12.504 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 2.142 12.543 2.867 1.00 0.00 H new ATOM 649 N CYS A 608 2.913 6.677 1.225 1.00 0.00 N ATOM 650 CA CYS A 608 3.142 5.916 2.446 1.00 0.00 C ATOM 651 C CYS A 608 4.125 4.773 2.214 1.00 0.00 C ATOM 652 O CYS A 608 4.795 4.324 3.142 1.00 0.00 O ATOM 653 CB CYS A 608 1.821 5.371 2.985 1.00 0.00 C ATOM 654 SG CYS A 608 0.798 6.616 3.806 1.00 0.00 S ATOM 0 H CYS A 608 1.976 6.576 0.835 1.00 0.00 H new ATOM 0 HA CYS A 608 3.578 6.591 3.182 1.00 0.00 H new ATOM 0 HB2 CYS A 608 1.255 4.935 2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 608 2.031 4.565 3.689 1.00 0.00 H new ATOM 659 N GLN A 609 4.211 4.305 0.972 1.00 0.00 N ATOM 660 CA GLN A 609 5.121 3.215 0.633 1.00 0.00 C ATOM 661 C GLN A 609 6.556 3.576 1.004 1.00 0.00 C ATOM 662 O GLN A 609 7.372 2.701 1.296 1.00 0.00 O ATOM 663 CB GLN A 609 5.030 2.884 -0.857 1.00 0.00 C ATOM 664 CG GLN A 609 5.472 4.021 -1.763 1.00 0.00 C ATOM 665 CD GLN A 609 6.701 3.676 -2.580 1.00 0.00 C ATOM 666 OE1 GLN A 609 7.765 3.386 -2.030 1.00 0.00 O ATOM 667 NE2 GLN A 609 6.561 3.705 -3.899 1.00 0.00 N ATOM 0 H GLN A 609 3.665 4.661 0.187 1.00 0.00 H new ATOM 0 HA GLN A 609 4.825 2.336 1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 609 5.644 2.007 -1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 609 4.001 2.617 -1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 609 4.655 4.282 -2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 609 5.680 4.903 -1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 609 5.661 3.951 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 609 7.353 3.482 -4.501 1.00 0.00 H new ATOM 676 N ASP A 610 6.853 4.871 0.998 1.00 0.00 N ATOM 677 CA ASP A 610 8.185 5.351 1.342 1.00 0.00 C ATOM 678 C ASP A 610 8.269 5.676 2.831 1.00 0.00 C ATOM 679 O ASP A 610 9.321 5.524 3.452 1.00 0.00 O ATOM 680 CB ASP A 610 8.536 6.588 0.513 1.00 0.00 C ATOM 681 CG ASP A 610 9.922 6.502 -0.094 1.00 0.00 C ATOM 682 OD1 ASP A 610 10.306 5.402 -0.546 1.00 0.00 O ATOM 683 OD2 ASP A 610 10.625 7.534 -0.117 1.00 0.00 O ATOM 0 H ASP A 610 6.188 5.607 0.758 1.00 0.00 H new ATOM 0 HA ASP A 610 8.903 4.562 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 610 7.801 6.710 -0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.473 7.475 1.144 1.00 0.00 H new ATOM 688 N LEU A 611 7.151 6.125 3.395 1.00 0.00 N ATOM 689 CA LEU A 611 7.094 6.472 4.811 1.00 0.00 C ATOM 690 C LEU A 611 7.038 5.219 5.681 1.00 0.00 C ATOM 691 O LEU A 611 7.560 5.202 6.797 1.00 0.00 O ATOM 692 CB LEU A 611 5.877 7.355 5.094 1.00 0.00 C ATOM 693 CG LEU A 611 5.790 8.624 4.249 1.00 0.00 C ATOM 694 CD1 LEU A 611 4.340 8.953 3.926 1.00 0.00 C ATOM 695 CD2 LEU A 611 6.454 9.789 4.968 1.00 0.00 C ATOM 0 H LEU A 611 6.273 6.257 2.893 1.00 0.00 H new ATOM 0 HA LEU A 611 8.002 7.023 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 611 4.974 6.766 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 611 5.889 7.638 6.147 1.00 0.00 H new ATOM 0 HG LEU A 611 6.319 8.450 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 611 4.298 9.860 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 611 3.895 8.128 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 611 3.787 9.107 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 611 6.383 10.685 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 611 5.952 9.963 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 611 7.503 9.555 5.148 1.00 0.00 H new ATOM 707 N LEU A 612 6.398 4.173 5.164 1.00 0.00 N ATOM 708 CA LEU A 612 6.269 2.916 5.894 1.00 0.00 C ATOM 709 C LEU A 612 7.638 2.353 6.263 1.00 0.00 C ATOM 710 O LEU A 612 8.559 2.348 5.447 1.00 0.00 O ATOM 711 CB LEU A 612 5.495 1.894 5.058 1.00 0.00 C ATOM 712 CG LEU A 612 4.588 0.953 5.855 1.00 0.00 C ATOM 713 CD1 LEU A 612 3.444 0.452 4.987 1.00 0.00 C ATOM 714 CD2 LEU A 612 5.390 -0.214 6.411 1.00 0.00 C ATOM 0 H LEU A 612 5.961 4.172 4.242 1.00 0.00 H new ATOM 0 HA LEU A 612 5.720 3.117 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 612 4.886 2.430 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 612 6.209 1.294 4.495 1.00 0.00 H new ATOM 0 HG LEU A 612 4.164 1.508 6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 612 2.810 -0.216 5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 612 2.854 1.299 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 612 3.847 -0.088 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 612 4.730 -0.873 6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 612 5.842 -0.769 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 612 6.174 0.163 7.068 1.00 0.00 H new ATOM 726 N ASN A 613 7.762 1.879 7.498 1.00 0.00 N ATOM 727 CA ASN A 613 9.017 1.312 7.977 1.00 0.00 C ATOM 728 C ASN A 613 9.369 0.046 7.202 1.00 0.00 C ATOM 729 O ASN A 613 8.549 -0.482 6.453 1.00 0.00 O ATOM 730 CB ASN A 613 8.923 1.001 9.472 1.00 0.00 C ATOM 731 CG ASN A 613 10.235 1.237 10.195 1.00 0.00 C ATOM 732 OD1 ASN A 613 10.575 2.369 10.536 1.00 0.00 O ATOM 733 ND2 ASN A 613 10.980 0.163 10.431 1.00 0.00 N ATOM 0 H ASN A 613 7.009 1.876 8.185 1.00 0.00 H new ATOM 0 HA ASN A 613 9.806 2.047 7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 613 8.147 1.621 9.921 1.00 0.00 H new ATOM 0 HB3 ASN A 613 8.619 -0.037 9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 613 11.874 0.258 10.913 1.00 0.00 H new ATOM 0 HD22 ASN A 613 10.658 -0.757 10.130 1.00 0.00 H new ATOM 740 N ALA A 614 10.594 -0.434 7.389 1.00 0.00 N ATOM 741 CA ALA A 614 11.053 -1.639 6.706 1.00 0.00 C ATOM 742 C ALA A 614 11.257 -2.785 7.690 1.00 0.00 C ATOM 743 O ALA A 614 11.617 -2.567 8.847 1.00 0.00 O ATOM 744 CB ALA A 614 12.340 -1.356 5.946 1.00 0.00 C ATOM 0 H ALA A 614 11.286 -0.009 8.006 1.00 0.00 H new ATOM 0 HA ALA A 614 10.283 -1.940 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 614 12.671 -2.263 5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 614 12.162 -0.574 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 614 13.110 -1.027 6.644 1.00 0.00 H new ATOM 750 N ASP A 615 11.025 -4.007 7.222 1.00 0.00 N ATOM 751 CA ASP A 615 11.183 -5.189 8.060 1.00 0.00 C ATOM 752 C ASP A 615 11.317 -6.446 7.206 1.00 0.00 C ATOM 753 O ASP A 615 10.772 -7.498 7.541 1.00 0.00 O ATOM 754 CB ASP A 615 9.993 -5.328 9.012 1.00 0.00 C ATOM 755 CG ASP A 615 10.316 -6.186 10.219 1.00 0.00 C ATOM 756 OD1 ASP A 615 10.894 -5.654 11.190 1.00 0.00 O ATOM 757 OD2 ASP A 615 9.990 -7.392 10.194 1.00 0.00 O ATOM 0 H ASP A 615 10.727 -4.204 6.267 1.00 0.00 H new ATOM 0 HA ASP A 615 12.095 -5.070 8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 615 9.681 -4.339 9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 615 9.150 -5.764 8.475 1.00 0.00 H new ATOM 762 N CYS A 616 12.048 -6.329 6.104 1.00 0.00 N ATOM 763 CA CYS A 616 12.255 -7.456 5.201 1.00 0.00 C ATOM 764 C CYS A 616 13.669 -8.011 5.341 1.00 0.00 C ATOM 765 O CYS A 616 13.839 -9.023 6.054 1.00 0.00 O ATOM 766 CB CYS A 616 12.001 -7.030 3.753 1.00 0.00 C ATOM 767 SG CYS A 616 10.336 -7.403 3.156 1.00 0.00 S ATOM 0 H CYS A 616 12.507 -5.466 5.814 1.00 0.00 H new ATOM 0 HA CYS A 616 11.548 -8.241 5.470 1.00 0.00 H new ATOM 0 HB2 CYS A 616 12.175 -5.958 3.665 1.00 0.00 H new ATOM 0 HB3 CYS A 616 12.726 -7.525 3.107 1.00 0.00 H new TER 772 CYS A 616 HETATM 773 ZN ZN A 701 7.966 -6.997 3.070 1.00 0.00 ZN HETATM 774 ZN ZN A 702 -1.298 5.630 3.745 1.00 0.00 ZN