USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=10 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 595 MET CE :methyl -177:sc= -7.2! (180deg=-7.42!) USER MOD Set 1.2: A 609 GLN : amide:sc= 1.08 K(o=-6.1,f=-8.3) USER MOD Set 2.1: A 578 THR OG1 : rot 62:sc= 0.688 USER MOD Set 2.2: A 603 LYS NZ :NH3+ -178:sc= -2.49! (180deg=-2.61!) USER MOD Set 3.1: A 568 ASN : amide:sc= 0.165 K(o=1.2,f=0.21) USER MOD Set 3.2: A 598 THR OG1 : rot 70:sc= 1.02 USER MOD Single : A 566 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 575 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 576 THR OG1 : rot 180:sc= 0 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=-0.00838 X(o=-0.0084,f=-0.15) USER MOD Single : A 604 CYS SG : rot -93:sc= -0.875 USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 613 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 566 14.218 -2.939 3.103 1.00 0.00 N ATOM 2 CA GLN A 566 12.913 -2.277 2.843 1.00 0.00 C ATOM 3 C GLN A 566 11.964 -3.206 2.094 1.00 0.00 C ATOM 4 O GLN A 566 12.390 -4.004 1.260 1.00 0.00 O ATOM 5 CB GLN A 566 13.164 -1.008 2.026 1.00 0.00 C ATOM 6 CG GLN A 566 12.224 0.135 2.371 1.00 0.00 C ATOM 7 CD GLN A 566 12.342 1.299 1.407 1.00 0.00 C ATOM 8 OE1 GLN A 566 13.417 1.572 0.873 1.00 0.00 O ATOM 9 NE2 GLN A 566 11.233 1.995 1.182 1.00 0.00 N ATOM 0 HA GLN A 566 12.444 -2.025 3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 566 14.192 -0.682 2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 566 13.063 -1.243 0.966 1.00 0.00 H new ATOM 0 HG2 GLN A 566 11.197 -0.231 2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 566 12.436 0.483 3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 566 10.363 1.733 1.646 1.00 0.00 H new ATOM 0 HE22 GLN A 566 11.251 2.791 0.545 1.00 0.00 H new ATOM 18 N HIS A 567 10.674 -3.096 2.398 1.00 0.00 N ATOM 19 CA HIS A 567 9.663 -3.926 1.752 1.00 0.00 C ATOM 20 C HIS A 567 9.675 -3.721 0.242 1.00 0.00 C ATOM 21 O HIS A 567 9.834 -2.599 -0.241 1.00 0.00 O ATOM 22 CB HIS A 567 8.274 -3.603 2.309 1.00 0.00 C ATOM 23 CG HIS A 567 8.145 -3.864 3.777 1.00 0.00 C ATOM 24 ND1 HIS A 567 7.977 -5.126 4.304 1.00 0.00 N ATOM 25 CD2 HIS A 567 8.162 -3.016 4.834 1.00 0.00 C ATOM 26 CE1 HIS A 567 7.895 -5.046 5.621 1.00 0.00 C ATOM 27 NE2 HIS A 567 8.006 -3.777 5.967 1.00 0.00 N ATOM 0 H HIS A 567 10.305 -2.441 3.087 1.00 0.00 H new ATOM 0 HA HIS A 567 9.898 -4.969 1.962 1.00 0.00 H new ATOM 0 HB2 HIS A 567 8.047 -2.555 2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 567 7.530 -4.195 1.776 1.00 0.00 H new ATOM 0 HD2 HIS A 567 8.277 -1.943 4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 567 7.760 -5.877 6.298 1.00 0.00 H new ATOM 0 HE2 HIS A 567 7.980 -3.419 6.922 1.00 0.00 H new ATOM 35 N ASN A 568 9.496 -4.808 -0.498 1.00 0.00 N ATOM 36 CA ASN A 568 9.474 -4.745 -1.954 1.00 0.00 C ATOM 37 C ASN A 568 8.154 -4.158 -2.432 1.00 0.00 C ATOM 38 O ASN A 568 7.374 -4.820 -3.118 1.00 0.00 O ATOM 39 CB ASN A 568 9.681 -6.138 -2.551 1.00 0.00 C ATOM 40 CG ASN A 568 10.446 -6.100 -3.859 1.00 0.00 C ATOM 41 OD1 ASN A 568 11.481 -5.443 -3.967 1.00 0.00 O ATOM 42 ND2 ASN A 568 9.937 -6.807 -4.862 1.00 0.00 N ATOM 0 H ASN A 568 9.364 -5.744 -0.114 1.00 0.00 H new ATOM 0 HA ASN A 568 10.287 -4.101 -2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 568 10.220 -6.760 -1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 568 8.711 -6.608 -2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 568 10.407 -6.820 -5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 568 9.076 -7.337 -4.727 1.00 0.00 H new ATOM 49 N PHE A 569 7.905 -2.912 -2.050 1.00 0.00 N ATOM 50 CA PHE A 569 6.677 -2.228 -2.420 1.00 0.00 C ATOM 51 C PHE A 569 6.555 -2.078 -3.931 1.00 0.00 C ATOM 52 O PHE A 569 7.363 -1.403 -4.569 1.00 0.00 O ATOM 53 CB PHE A 569 6.623 -0.856 -1.751 1.00 0.00 C ATOM 54 CG PHE A 569 6.310 -0.921 -0.285 1.00 0.00 C ATOM 55 CD1 PHE A 569 5.165 -1.558 0.162 1.00 0.00 C ATOM 56 CD2 PHE A 569 7.160 -0.344 0.644 1.00 0.00 C ATOM 57 CE1 PHE A 569 4.872 -1.618 1.511 1.00 0.00 C ATOM 58 CE2 PHE A 569 6.872 -0.399 1.995 1.00 0.00 C ATOM 59 CZ PHE A 569 5.726 -1.037 2.429 1.00 0.00 C ATOM 0 H PHE A 569 8.542 -2.354 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 569 5.838 -2.833 -2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 569 7.581 -0.355 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 569 5.869 -0.246 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 569 4.494 -2.013 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 569 8.058 0.154 0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 569 3.976 -2.119 1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 569 7.542 0.056 2.710 1.00 0.00 H new ATOM 0 HZ PHE A 569 5.498 -1.082 3.484 1.00 0.00 H new ATOM 69 N GLU A 570 5.530 -2.708 -4.493 1.00 0.00 N ATOM 70 CA GLU A 570 5.283 -2.645 -5.926 1.00 0.00 C ATOM 71 C GLU A 570 3.946 -1.970 -6.202 1.00 0.00 C ATOM 72 O GLU A 570 3.032 -2.028 -5.378 1.00 0.00 O ATOM 73 CB GLU A 570 5.296 -4.049 -6.534 1.00 0.00 C ATOM 74 CG GLU A 570 6.608 -4.786 -6.328 1.00 0.00 C ATOM 75 CD GLU A 570 6.783 -5.945 -7.291 1.00 0.00 C ATOM 76 OE1 GLU A 570 5.769 -6.586 -7.638 1.00 0.00 O ATOM 77 OE2 GLU A 570 7.933 -6.209 -7.699 1.00 0.00 O ATOM 0 H GLU A 570 4.855 -3.270 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 570 6.077 -2.057 -6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 570 4.487 -4.634 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 570 5.093 -3.976 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 570 7.436 -4.088 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 570 6.655 -5.158 -5.305 1.00 0.00 H new ATOM 84 N VAL A 571 3.834 -1.325 -7.355 1.00 0.00 N ATOM 85 CA VAL A 571 2.604 -0.637 -7.720 1.00 0.00 C ATOM 86 C VAL A 571 1.441 -1.617 -7.837 1.00 0.00 C ATOM 87 O VAL A 571 1.343 -2.371 -8.805 1.00 0.00 O ATOM 88 CB VAL A 571 2.758 0.125 -9.051 1.00 0.00 C ATOM 89 CG1 VAL A 571 1.518 0.958 -9.338 1.00 0.00 C ATOM 90 CG2 VAL A 571 4.002 1.001 -9.025 1.00 0.00 C ATOM 0 H VAL A 571 4.577 -1.264 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 571 2.394 0.079 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 571 2.871 -0.604 -9.853 1.00 0.00 H new ATOM 0 HG11 VAL A 571 1.646 1.488 -10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 571 0.648 0.305 -9.404 1.00 0.00 H new ATOM 0 HG13 VAL A 571 1.370 1.679 -8.534 1.00 0.00 H new ATOM 0 HG21 VAL A 571 4.094 1.531 -9.973 1.00 0.00 H new ATOM 0 HG22 VAL A 571 3.922 1.723 -8.212 1.00 0.00 H new ATOM 0 HG23 VAL A 571 4.883 0.378 -8.871 1.00 0.00 H new ATOM 100 N TRP A 572 0.561 -1.594 -6.841 1.00 0.00 N ATOM 101 CA TRP A 572 -0.603 -2.472 -6.824 1.00 0.00 C ATOM 102 C TRP A 572 -1.883 -1.654 -6.683 1.00 0.00 C ATOM 103 O TRP A 572 -1.990 -0.801 -5.802 1.00 0.00 O ATOM 104 CB TRP A 572 -0.483 -3.489 -5.676 1.00 0.00 C ATOM 105 CG TRP A 572 -1.796 -3.865 -5.052 1.00 0.00 C ATOM 106 CD1 TRP A 572 -2.591 -4.924 -5.385 1.00 0.00 C ATOM 107 CD2 TRP A 572 -2.469 -3.176 -3.993 1.00 0.00 C ATOM 108 NE1 TRP A 572 -3.716 -4.937 -4.595 1.00 0.00 N ATOM 109 CE2 TRP A 572 -3.664 -3.873 -3.732 1.00 0.00 C ATOM 110 CE3 TRP A 572 -2.176 -2.037 -3.236 1.00 0.00 C ATOM 111 CZ2 TRP A 572 -4.564 -3.466 -2.749 1.00 0.00 C ATOM 112 CZ3 TRP A 572 -3.071 -1.636 -2.262 1.00 0.00 C ATOM 113 CH2 TRP A 572 -4.251 -2.349 -2.026 1.00 0.00 C ATOM 0 H TRP A 572 0.633 -0.975 -6.033 1.00 0.00 H new ATOM 0 HA TRP A 572 -0.646 -3.016 -7.767 1.00 0.00 H new ATOM 0 HB2 TRP A 572 -0.000 -4.391 -6.052 1.00 0.00 H new ATOM 0 HB3 TRP A 572 0.169 -3.076 -4.906 1.00 0.00 H new ATOM 0 HD1 TRP A 572 -2.368 -5.646 -6.157 1.00 0.00 H new ATOM 0 HE1 TRP A 572 -4.467 -5.626 -4.643 1.00 0.00 H new ATOM 0 HE3 TRP A 572 -1.267 -1.481 -3.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 572 -5.476 -4.014 -2.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 572 -2.855 -0.757 -1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 572 -4.929 -2.010 -1.257 1.00 0.00 H new ATOM 124 N THR A 573 -2.853 -1.921 -7.549 1.00 0.00 N ATOM 125 CA THR A 573 -4.121 -1.207 -7.506 1.00 0.00 C ATOM 126 C THR A 573 -5.149 -1.981 -6.692 1.00 0.00 C ATOM 127 O THR A 573 -5.503 -3.111 -7.028 1.00 0.00 O ATOM 128 CB THR A 573 -4.651 -0.958 -8.918 1.00 0.00 C ATOM 129 OG1 THR A 573 -3.618 -0.490 -9.767 1.00 0.00 O ATOM 130 CG2 THR A 573 -5.777 0.053 -8.960 1.00 0.00 C ATOM 0 H THR A 573 -2.786 -2.623 -8.286 1.00 0.00 H new ATOM 0 HA THR A 573 -3.947 -0.245 -7.024 1.00 0.00 H new ATOM 0 HB THR A 573 -5.033 -1.920 -9.260 1.00 0.00 H new ATOM 0 HG1 THR A 573 -3.977 -0.338 -10.666 1.00 0.00 H new ATOM 0 HG21 THR A 573 -6.109 0.185 -9.990 1.00 0.00 H new ATOM 0 HG22 THR A 573 -6.609 -0.304 -8.353 1.00 0.00 H new ATOM 0 HG23 THR A 573 -5.425 1.007 -8.567 1.00 0.00 H new ATOM 138 N ALA A 574 -5.623 -1.363 -5.617 1.00 0.00 N ATOM 139 CA ALA A 574 -6.609 -1.990 -4.749 1.00 0.00 C ATOM 140 C ALA A 574 -7.911 -2.253 -5.497 1.00 0.00 C ATOM 141 O ALA A 574 -8.641 -1.325 -5.839 1.00 0.00 O ATOM 142 CB ALA A 574 -6.866 -1.119 -3.527 1.00 0.00 C ATOM 0 H ALA A 574 -5.339 -0.427 -5.326 1.00 0.00 H new ATOM 0 HA ALA A 574 -6.210 -2.950 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 574 -7.605 -1.600 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 574 -5.937 -0.987 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 574 -7.240 -0.146 -3.846 1.00 0.00 H new ATOM 148 N THR A 575 -8.201 -3.526 -5.741 1.00 0.00 N ATOM 149 CA THR A 575 -9.425 -3.903 -6.437 1.00 0.00 C ATOM 150 C THR A 575 -10.629 -3.689 -5.526 1.00 0.00 C ATOM 151 O THR A 575 -11.745 -3.461 -5.991 1.00 0.00 O ATOM 152 CB THR A 575 -9.354 -5.360 -6.891 1.00 0.00 C ATOM 153 OG1 THR A 575 -8.834 -6.182 -5.861 1.00 0.00 O ATOM 154 CG2 THR A 575 -8.491 -5.560 -8.117 1.00 0.00 C ATOM 0 H THR A 575 -7.609 -4.310 -5.469 1.00 0.00 H new ATOM 0 HA THR A 575 -9.535 -3.273 -7.320 1.00 0.00 H new ATOM 0 HB THR A 575 -10.379 -5.637 -7.137 1.00 0.00 H new ATOM 0 HG1 THR A 575 -8.798 -7.111 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 575 -8.482 -6.616 -8.388 1.00 0.00 H new ATOM 0 HG22 THR A 575 -8.894 -4.977 -8.945 1.00 0.00 H new ATOM 0 HG23 THR A 575 -7.474 -5.232 -7.903 1.00 0.00 H new ATOM 162 N THR A 576 -10.383 -3.753 -4.219 1.00 0.00 N ATOM 163 CA THR A 576 -11.424 -3.556 -3.223 1.00 0.00 C ATOM 164 C THR A 576 -10.910 -2.656 -2.103 1.00 0.00 C ATOM 165 O THR A 576 -9.700 -2.516 -1.922 1.00 0.00 O ATOM 166 CB THR A 576 -11.877 -4.900 -2.650 1.00 0.00 C ATOM 167 OG1 THR A 576 -10.840 -5.496 -1.892 1.00 0.00 O ATOM 168 CG2 THR A 576 -12.297 -5.893 -3.712 1.00 0.00 C ATOM 0 H THR A 576 -9.461 -3.942 -3.826 1.00 0.00 H new ATOM 0 HA THR A 576 -12.278 -3.077 -3.701 1.00 0.00 H new ATOM 0 HB THR A 576 -12.742 -4.672 -2.027 1.00 0.00 H new ATOM 0 HG1 THR A 576 -11.149 -6.354 -1.532 1.00 0.00 H new ATOM 0 HG21 THR A 576 -12.606 -6.824 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 576 -13.129 -5.483 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 576 -11.458 -6.088 -4.380 1.00 0.00 H new ATOM 176 N PRO A 577 -11.814 -2.027 -1.334 1.00 0.00 N ATOM 177 CA PRO A 577 -11.429 -1.140 -0.235 1.00 0.00 C ATOM 178 C PRO A 577 -10.324 -1.735 0.637 1.00 0.00 C ATOM 179 O PRO A 577 -10.543 -2.716 1.349 1.00 0.00 O ATOM 180 CB PRO A 577 -12.721 -0.997 0.563 1.00 0.00 C ATOM 181 CG PRO A 577 -13.805 -1.163 -0.445 1.00 0.00 C ATOM 182 CD PRO A 577 -13.280 -2.132 -1.473 1.00 0.00 C ATOM 0 HA PRO A 577 -11.023 -0.195 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -12.789 -1.752 1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -12.780 -0.024 1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -14.714 -1.544 0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -14.059 -0.208 -0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -13.629 -3.147 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -13.607 -1.866 -2.478 1.00 0.00 H new ATOM 190 N THR A 578 -9.138 -1.137 0.574 1.00 0.00 N ATOM 191 CA THR A 578 -8.001 -1.610 1.356 1.00 0.00 C ATOM 192 C THR A 578 -7.383 -0.473 2.170 1.00 0.00 C ATOM 193 O THR A 578 -7.237 0.647 1.682 1.00 0.00 O ATOM 194 CB THR A 578 -6.945 -2.245 0.442 1.00 0.00 C ATOM 195 OG1 THR A 578 -7.480 -3.375 -0.226 1.00 0.00 O ATOM 196 CG2 THR A 578 -5.704 -2.698 1.182 1.00 0.00 C ATOM 0 H THR A 578 -8.940 -0.325 -0.010 1.00 0.00 H new ATOM 0 HA THR A 578 -8.364 -2.368 2.050 1.00 0.00 H new ATOM 0 HB THR A 578 -6.663 -1.462 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 578 -8.227 -3.095 -0.796 1.00 0.00 H new ATOM 0 HG21 THR A 578 -4.999 -3.137 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 578 -5.240 -1.842 1.673 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.978 -3.441 1.931 1.00 0.00 H new ATOM 204 N TYR A 579 -7.025 -0.774 3.417 1.00 0.00 N ATOM 205 CA TYR A 579 -6.424 0.214 4.310 1.00 0.00 C ATOM 206 C TYR A 579 -4.904 0.231 4.166 1.00 0.00 C ATOM 207 O TYR A 579 -4.299 -0.757 3.746 1.00 0.00 O ATOM 208 CB TYR A 579 -6.804 -0.092 5.760 1.00 0.00 C ATOM 209 CG TYR A 579 -8.295 -0.102 6.001 1.00 0.00 C ATOM 210 CD1 TYR A 579 -9.094 0.931 5.532 1.00 0.00 C ATOM 211 CD2 TYR A 579 -8.904 -1.143 6.688 1.00 0.00 C ATOM 212 CE1 TYR A 579 -10.458 0.930 5.741 1.00 0.00 C ATOM 213 CE2 TYR A 579 -10.270 -1.154 6.901 1.00 0.00 C ATOM 214 CZ TYR A 579 -11.042 -0.114 6.426 1.00 0.00 C ATOM 215 OH TYR A 579 -12.403 -0.120 6.635 1.00 0.00 O ATOM 0 H TYR A 579 -7.142 -1.698 3.833 1.00 0.00 H new ATOM 0 HA TYR A 579 -6.806 1.197 4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 579 -6.392 -1.062 6.039 1.00 0.00 H new ATOM 0 HB3 TYR A 579 -6.343 0.649 6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 579 -8.640 1.750 4.994 1.00 0.00 H new ATOM 0 HD2 TYR A 579 -8.301 -1.957 7.062 1.00 0.00 H new ATOM 0 HE1 TYR A 579 -11.065 1.743 5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 579 -10.730 -1.972 7.436 1.00 0.00 H new ATOM 0 HH TYR A 579 -12.654 -0.926 7.132 1.00 0.00 H new ATOM 225 N CYS A 580 -4.293 1.358 4.518 1.00 0.00 N ATOM 226 CA CYS A 580 -2.844 1.508 4.432 1.00 0.00 C ATOM 227 C CYS A 580 -2.170 1.038 5.715 1.00 0.00 C ATOM 228 O CYS A 580 -2.456 1.540 6.798 1.00 0.00 O ATOM 229 CB CYS A 580 -2.481 2.968 4.157 1.00 0.00 C ATOM 230 SG CYS A 580 -0.716 3.254 3.900 1.00 0.00 S ATOM 0 H CYS A 580 -4.781 2.183 4.867 1.00 0.00 H new ATOM 0 HA CYS A 580 -2.487 0.888 3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 580 -3.025 3.306 3.275 1.00 0.00 H new ATOM 0 HB3 CYS A 580 -2.819 3.579 4.994 1.00 0.00 H new ATOM 235 N TYR A 581 -1.268 0.074 5.586 1.00 0.00 N ATOM 236 CA TYR A 581 -0.548 -0.459 6.737 1.00 0.00 C ATOM 237 C TYR A 581 0.286 0.625 7.420 1.00 0.00 C ATOM 238 O TYR A 581 0.730 0.454 8.555 1.00 0.00 O ATOM 239 CB TYR A 581 0.358 -1.611 6.298 1.00 0.00 C ATOM 240 CG TYR A 581 0.260 -2.828 7.185 1.00 0.00 C ATOM 241 CD1 TYR A 581 -0.966 -3.421 7.448 1.00 0.00 C ATOM 242 CD2 TYR A 581 1.396 -3.386 7.758 1.00 0.00 C ATOM 243 CE1 TYR A 581 -1.062 -4.536 8.259 1.00 0.00 C ATOM 244 CE2 TYR A 581 1.311 -4.501 8.570 1.00 0.00 C ATOM 245 CZ TYR A 581 0.080 -5.071 8.818 1.00 0.00 C ATOM 246 OH TYR A 581 -0.009 -6.181 9.627 1.00 0.00 O ATOM 0 H TYR A 581 -1.017 -0.356 4.696 1.00 0.00 H new ATOM 0 HA TYR A 581 -1.282 -0.826 7.454 1.00 0.00 H new ATOM 0 HB2 TYR A 581 0.103 -1.894 5.277 1.00 0.00 H new ATOM 0 HB3 TYR A 581 1.391 -1.264 6.284 1.00 0.00 H new ATOM 0 HD1 TYR A 581 -1.861 -3.004 7.011 1.00 0.00 H new ATOM 0 HD2 TYR A 581 2.361 -2.941 7.566 1.00 0.00 H new ATOM 0 HE1 TYR A 581 -2.025 -4.985 8.454 1.00 0.00 H new ATOM 0 HE2 TYR A 581 2.203 -4.923 9.008 1.00 0.00 H new ATOM 0 HH TYR A 581 0.886 -6.431 9.939 1.00 0.00 H new ATOM 256 N GLU A 582 0.507 1.733 6.717 1.00 0.00 N ATOM 257 CA GLU A 582 1.303 2.834 7.253 1.00 0.00 C ATOM 258 C GLU A 582 0.469 3.769 8.129 1.00 0.00 C ATOM 259 O GLU A 582 0.796 3.990 9.296 1.00 0.00 O ATOM 260 CB GLU A 582 1.940 3.628 6.110 1.00 0.00 C ATOM 261 CG GLU A 582 2.960 4.656 6.576 1.00 0.00 C ATOM 262 CD GLU A 582 2.313 5.928 7.088 1.00 0.00 C ATOM 263 OE1 GLU A 582 1.305 6.361 6.494 1.00 0.00 O ATOM 264 OE2 GLU A 582 2.817 6.490 8.084 1.00 0.00 O ATOM 0 H GLU A 582 0.147 1.892 5.776 1.00 0.00 H new ATOM 0 HA GLU A 582 2.083 2.399 7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.424 2.934 5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 582 1.155 4.136 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 582 3.574 4.222 7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 582 3.628 4.900 5.750 1.00 0.00 H new ATOM 271 N CYS A 583 -0.597 4.331 7.564 1.00 0.00 N ATOM 272 CA CYS A 583 -1.452 5.257 8.305 1.00 0.00 C ATOM 273 C CYS A 583 -2.868 4.714 8.483 1.00 0.00 C ATOM 274 O CYS A 583 -3.786 5.463 8.816 1.00 0.00 O ATOM 275 CB CYS A 583 -1.502 6.608 7.591 1.00 0.00 C ATOM 276 SG CYS A 583 -2.050 6.514 5.871 1.00 0.00 S ATOM 0 H CYS A 583 -0.889 4.163 6.601 1.00 0.00 H new ATOM 0 HA CYS A 583 -1.018 5.379 9.297 1.00 0.00 H new ATOM 0 HB2 CYS A 583 -2.171 7.272 8.139 1.00 0.00 H new ATOM 0 HB3 CYS A 583 -0.510 7.060 7.621 1.00 0.00 H new ATOM 281 N GLU A 584 -3.044 3.413 8.264 1.00 0.00 N ATOM 282 CA GLU A 584 -4.354 2.779 8.406 1.00 0.00 C ATOM 283 C GLU A 584 -5.446 3.606 7.728 1.00 0.00 C ATOM 284 O GLU A 584 -6.461 3.935 8.343 1.00 0.00 O ATOM 285 CB GLU A 584 -4.688 2.585 9.886 1.00 0.00 C ATOM 286 CG GLU A 584 -3.566 1.938 10.682 1.00 0.00 C ATOM 287 CD GLU A 584 -2.822 2.930 11.553 1.00 0.00 C ATOM 288 OE1 GLU A 584 -2.187 3.850 10.998 1.00 0.00 O ATOM 289 OE2 GLU A 584 -2.875 2.787 12.794 1.00 0.00 O ATOM 0 H GLU A 584 -2.296 2.777 7.987 1.00 0.00 H new ATOM 0 HA GLU A 584 -4.312 1.806 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 584 -4.924 3.554 10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 584 -5.584 1.970 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 584 -3.979 1.148 11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 584 -2.864 1.465 9.995 1.00 0.00 H new ATOM 296 N GLY A 585 -5.226 3.946 6.462 1.00 0.00 N ATOM 297 CA GLY A 585 -6.197 4.738 5.731 1.00 0.00 C ATOM 298 C GLY A 585 -6.637 4.089 4.433 1.00 0.00 C ATOM 299 O GLY A 585 -5.816 3.791 3.565 1.00 0.00 O ATOM 0 H GLY A 585 -4.395 3.688 5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 585 -7.070 4.904 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 585 -5.769 5.717 5.514 1.00 0.00 H new ATOM 303 N LEU A 586 -7.944 3.877 4.301 1.00 0.00 N ATOM 304 CA LEU A 586 -8.520 3.270 3.106 1.00 0.00 C ATOM 305 C LEU A 586 -7.951 3.899 1.836 1.00 0.00 C ATOM 306 O LEU A 586 -7.822 5.120 1.738 1.00 0.00 O ATOM 307 CB LEU A 586 -10.039 3.430 3.128 1.00 0.00 C ATOM 308 CG LEU A 586 -10.783 2.663 2.039 1.00 0.00 C ATOM 309 CD1 LEU A 586 -10.863 1.186 2.384 1.00 0.00 C ATOM 310 CD2 LEU A 586 -12.175 3.242 1.838 1.00 0.00 C ATOM 0 H LEU A 586 -8.630 4.120 5.016 1.00 0.00 H new ATOM 0 HA LEU A 586 -8.262 2.211 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -10.410 3.103 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -10.279 4.489 3.035 1.00 0.00 H new ATOM 0 HG LEU A 586 -10.229 2.766 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -11.397 0.657 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -9.856 0.779 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -11.393 1.061 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -12.692 2.683 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -12.737 3.170 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -12.095 4.288 1.543 1.00 0.00 H new ATOM 322 N LEU A 587 -7.611 3.056 0.865 1.00 0.00 N ATOM 323 CA LEU A 587 -7.055 3.527 -0.400 1.00 0.00 C ATOM 324 C LEU A 587 -8.151 3.668 -1.452 1.00 0.00 C ATOM 325 O LEU A 587 -7.951 3.335 -2.621 1.00 0.00 O ATOM 326 CB LEU A 587 -5.974 2.565 -0.897 1.00 0.00 C ATOM 327 CG LEU A 587 -4.723 2.485 -0.017 1.00 0.00 C ATOM 328 CD1 LEU A 587 -4.703 1.182 0.769 1.00 0.00 C ATOM 329 CD2 LEU A 587 -3.465 2.618 -0.864 1.00 0.00 C ATOM 0 H LEU A 587 -7.711 2.043 0.930 1.00 0.00 H new ATOM 0 HA LEU A 587 -6.607 4.506 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 587 -6.406 1.568 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 587 -5.675 2.866 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 587 -4.749 3.312 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -3.807 1.144 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -5.586 1.127 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -4.702 0.340 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -2.586 2.559 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -3.433 1.812 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 587 -3.474 3.578 -1.380 1.00 0.00 H new ATOM 341 N TRP A 588 -9.308 4.162 -1.026 1.00 0.00 N ATOM 342 CA TRP A 588 -10.441 4.347 -1.926 1.00 0.00 C ATOM 343 C TRP A 588 -10.689 5.829 -2.186 1.00 0.00 C ATOM 344 O TRP A 588 -9.858 6.675 -1.854 1.00 0.00 O ATOM 345 CB TRP A 588 -11.695 3.697 -1.333 1.00 0.00 C ATOM 346 CG TRP A 588 -12.377 2.765 -2.282 1.00 0.00 C ATOM 347 CD1 TRP A 588 -13.716 2.669 -2.525 1.00 0.00 C ATOM 348 CD2 TRP A 588 -11.746 1.794 -3.115 1.00 0.00 C ATOM 349 NE1 TRP A 588 -13.955 1.696 -3.466 1.00 0.00 N ATOM 350 CE2 TRP A 588 -12.758 1.144 -3.843 1.00 0.00 C ATOM 351 CE3 TRP A 588 -10.420 1.414 -3.316 1.00 0.00 C ATOM 352 CZ2 TRP A 588 -12.481 0.132 -4.759 1.00 0.00 C ATOM 353 CZ3 TRP A 588 -10.146 0.412 -4.223 1.00 0.00 C ATOM 354 CH2 TRP A 588 -11.170 -0.219 -4.936 1.00 0.00 C ATOM 0 H TRP A 588 -9.486 4.442 -0.062 1.00 0.00 H new ATOM 0 HA TRP A 588 -10.208 3.867 -2.877 1.00 0.00 H new ATOM 0 HB2 TRP A 588 -11.422 3.151 -0.430 1.00 0.00 H new ATOM 0 HB3 TRP A 588 -12.395 4.477 -1.034 1.00 0.00 H new ATOM 0 HD1 TRP A 588 -14.477 3.269 -2.048 1.00 0.00 H new ATOM 0 HE1 TRP A 588 -14.872 1.429 -3.825 1.00 0.00 H new ATOM 0 HE3 TRP A 588 -9.622 1.896 -2.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 588 -13.271 -0.357 -5.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 588 -9.122 0.109 -4.386 1.00 0.00 H new ATOM 0 HH2 TRP A 588 -10.921 -0.999 -5.640 1.00 0.00 H new ATOM 365 N GLY A 589 -11.836 6.137 -2.782 1.00 0.00 N ATOM 366 CA GLY A 589 -12.173 7.517 -3.075 1.00 0.00 C ATOM 367 C GLY A 589 -12.154 7.817 -4.560 1.00 0.00 C ATOM 368 O GLY A 589 -13.205 7.918 -5.193 1.00 0.00 O ATOM 0 H GLY A 589 -12.538 5.455 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 589 -13.163 7.738 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 589 -11.469 8.175 -2.566 1.00 0.00 H new ATOM 372 N ILE A 590 -10.956 7.961 -5.118 1.00 0.00 N ATOM 373 CA ILE A 590 -10.805 8.254 -6.538 1.00 0.00 C ATOM 374 C ILE A 590 -9.813 7.300 -7.194 1.00 0.00 C ATOM 375 O ILE A 590 -10.167 6.555 -8.108 1.00 0.00 O ATOM 376 CB ILE A 590 -10.333 9.703 -6.764 1.00 0.00 C ATOM 377 CG1 ILE A 590 -11.256 10.681 -6.034 1.00 0.00 C ATOM 378 CG2 ILE A 590 -10.285 10.023 -8.251 1.00 0.00 C ATOM 379 CD1 ILE A 590 -10.658 12.060 -5.858 1.00 0.00 C ATOM 0 H ILE A 590 -10.076 7.879 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 590 -11.786 8.123 -6.995 1.00 0.00 H new ATOM 0 HB ILE A 590 -9.326 9.807 -6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 590 -12.191 10.767 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 590 -11.502 10.273 -5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 590 -9.950 11.051 -8.391 1.00 0.00 H new ATOM 0 HG22 ILE A 590 -9.592 9.344 -8.747 1.00 0.00 H new ATOM 0 HG23 ILE A 590 -11.279 9.904 -8.681 1.00 0.00 H new ATOM 0 HD11 ILE A 590 -11.367 12.700 -5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 590 -9.738 11.986 -5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 590 -10.438 12.488 -6.836 1.00 0.00 H new ATOM 391 N ALA A 591 -8.572 7.327 -6.725 1.00 0.00 N ATOM 392 CA ALA A 591 -7.535 6.464 -7.272 1.00 0.00 C ATOM 393 C ALA A 591 -7.291 5.254 -6.380 1.00 0.00 C ATOM 394 O ALA A 591 -6.455 5.293 -5.477 1.00 0.00 O ATOM 395 CB ALA A 591 -6.244 7.242 -7.468 1.00 0.00 C ATOM 0 H ALA A 591 -8.260 7.936 -5.969 1.00 0.00 H new ATOM 0 HA ALA A 591 -7.881 6.103 -8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 591 -5.480 6.581 -7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 591 -6.418 8.068 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 591 -5.907 7.636 -6.509 1.00 0.00 H new ATOM 401 N ARG A 592 -8.022 4.178 -6.645 1.00 0.00 N ATOM 402 CA ARG A 592 -7.885 2.947 -5.873 1.00 0.00 C ATOM 403 C ARG A 592 -6.437 2.456 -5.868 1.00 0.00 C ATOM 404 O ARG A 592 -6.034 1.693 -4.990 1.00 0.00 O ATOM 405 CB ARG A 592 -8.799 1.860 -6.439 1.00 0.00 C ATOM 406 CG ARG A 592 -8.830 1.811 -7.960 1.00 0.00 C ATOM 407 CD ARG A 592 -9.439 0.512 -8.466 1.00 0.00 C ATOM 408 NE ARG A 592 -10.530 0.752 -9.407 1.00 0.00 N ATOM 409 CZ ARG A 592 -11.450 -0.157 -9.724 1.00 0.00 C ATOM 410 NH1 ARG A 592 -11.414 -1.365 -9.176 1.00 0.00 N ATOM 411 NH2 ARG A 592 -12.409 0.144 -10.588 1.00 0.00 N ATOM 0 H ARG A 592 -8.717 4.132 -7.390 1.00 0.00 H new ATOM 0 HA ARG A 592 -8.178 3.163 -4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -8.473 0.891 -6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -9.812 2.022 -6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -9.405 2.655 -8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -7.817 1.914 -8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -8.667 -0.086 -8.950 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -9.809 -0.069 -7.621 1.00 0.00 H new ATOM 0 HE ARG A 592 -10.591 1.670 -9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -10.679 -1.601 -8.509 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -12.121 -2.058 -9.422 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -12.442 1.072 -11.010 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -13.114 -0.552 -10.831 1.00 0.00 H new ATOM 425 N GLN A 593 -5.660 2.901 -6.857 1.00 0.00 N ATOM 426 CA GLN A 593 -4.254 2.513 -6.978 1.00 0.00 C ATOM 427 C GLN A 593 -3.544 2.541 -5.624 1.00 0.00 C ATOM 428 O GLN A 593 -3.940 3.279 -4.720 1.00 0.00 O ATOM 429 CB GLN A 593 -3.535 3.440 -7.958 1.00 0.00 C ATOM 430 CG GLN A 593 -2.197 2.901 -8.437 1.00 0.00 C ATOM 431 CD GLN A 593 -1.981 3.113 -9.923 1.00 0.00 C ATOM 432 OE1 GLN A 593 -2.327 4.161 -10.469 1.00 0.00 O ATOM 433 NE2 GLN A 593 -1.409 2.115 -10.585 1.00 0.00 N ATOM 0 H GLN A 593 -5.983 3.534 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 593 -4.224 1.490 -7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -4.178 3.611 -8.821 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -3.378 4.407 -7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -1.394 3.388 -7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -2.137 1.836 -8.213 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -1.138 1.264 -10.091 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -1.240 2.199 -11.587 1.00 0.00 H new ATOM 442 N GLY A 594 -2.493 1.736 -5.492 1.00 0.00 N ATOM 443 CA GLY A 594 -1.747 1.686 -4.248 1.00 0.00 C ATOM 444 C GLY A 594 -0.420 0.964 -4.387 1.00 0.00 C ATOM 445 O GLY A 594 0.028 0.675 -5.498 1.00 0.00 O ATOM 0 H GLY A 594 -2.145 1.118 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -1.568 2.702 -3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -2.349 1.187 -3.488 1.00 0.00 H new ATOM 449 N MET A 595 0.206 0.675 -3.253 1.00 0.00 N ATOM 450 CA MET A 595 1.490 -0.017 -3.230 1.00 0.00 C ATOM 451 C MET A 595 1.410 -1.255 -2.342 1.00 0.00 C ATOM 452 O MET A 595 0.724 -1.246 -1.323 1.00 0.00 O ATOM 453 CB MET A 595 2.580 0.923 -2.712 1.00 0.00 C ATOM 454 CG MET A 595 2.927 2.041 -3.679 1.00 0.00 C ATOM 455 SD MET A 595 3.789 1.444 -5.145 1.00 0.00 S ATOM 456 CE MET A 595 5.092 0.474 -4.395 1.00 0.00 C ATOM 0 H MET A 595 -0.158 0.911 -2.330 1.00 0.00 H new ATOM 0 HA MET A 595 1.737 -0.328 -4.245 1.00 0.00 H new ATOM 0 HB2 MET A 595 2.254 1.359 -1.768 1.00 0.00 H new ATOM 0 HB3 MET A 595 3.479 0.343 -2.502 1.00 0.00 H new ATOM 0 HG2 MET A 595 2.013 2.552 -3.982 1.00 0.00 H new ATOM 0 HG3 MET A 595 3.550 2.777 -3.170 1.00 0.00 H new ATOM 0 HE1 MET A 595 5.746 0.080 -5.173 1.00 0.00 H new ATOM 0 HE2 MET A 595 5.671 1.103 -3.719 1.00 0.00 H new ATOM 0 HE3 MET A 595 4.654 -0.353 -3.836 1.00 0.00 H new ATOM 466 N ARG A 596 2.103 -2.321 -2.730 1.00 0.00 N ATOM 467 CA ARG A 596 2.085 -3.553 -1.951 1.00 0.00 C ATOM 468 C ARG A 596 3.423 -4.284 -2.026 1.00 0.00 C ATOM 469 O ARG A 596 4.054 -4.346 -3.081 1.00 0.00 O ATOM 470 CB ARG A 596 0.957 -4.465 -2.443 1.00 0.00 C ATOM 471 CG ARG A 596 1.017 -5.889 -1.903 1.00 0.00 C ATOM 472 CD ARG A 596 0.540 -6.890 -2.941 1.00 0.00 C ATOM 473 NE ARG A 596 0.241 -8.192 -2.350 1.00 0.00 N ATOM 474 CZ ARG A 596 -0.034 -9.284 -3.059 1.00 0.00 C ATOM 475 NH1 ARG A 596 -0.049 -9.236 -4.386 1.00 0.00 N ATOM 476 NH2 ARG A 596 -0.294 -10.427 -2.441 1.00 0.00 N ATOM 0 H ARG A 596 2.679 -2.357 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 596 1.909 -3.289 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 596 0.001 -4.023 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 596 0.984 -4.501 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 596 2.039 -6.126 -1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 596 0.400 -5.968 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -0.351 -6.503 -3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 596 1.304 -7.008 -3.709 1.00 0.00 H new ATOM 0 HE ARG A 596 0.243 -8.269 -1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 596 0.151 -8.359 -4.867 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -0.260 -10.076 -4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -0.283 -10.470 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -0.505 -11.264 -2.984 1.00 0.00 H new ATOM 490 N CYS A 597 3.835 -4.853 -0.897 1.00 0.00 N ATOM 491 CA CYS A 597 5.082 -5.605 -0.825 1.00 0.00 C ATOM 492 C CYS A 597 4.889 -7.004 -1.405 1.00 0.00 C ATOM 493 O CYS A 597 3.827 -7.607 -1.249 1.00 0.00 O ATOM 494 CB CYS A 597 5.559 -5.697 0.626 1.00 0.00 C ATOM 495 SG CYS A 597 7.077 -6.654 0.855 1.00 0.00 S ATOM 0 H CYS A 597 3.321 -4.807 -0.017 1.00 0.00 H new ATOM 0 HA CYS A 597 5.839 -5.084 -1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 597 5.719 -4.689 1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 597 4.768 -6.144 1.228 1.00 0.00 H new ATOM 500 N THR A 598 5.917 -7.518 -2.074 1.00 0.00 N ATOM 501 CA THR A 598 5.848 -8.848 -2.671 1.00 0.00 C ATOM 502 C THR A 598 6.540 -9.871 -1.780 1.00 0.00 C ATOM 503 O THR A 598 7.121 -10.843 -2.263 1.00 0.00 O ATOM 504 CB THR A 598 6.490 -8.849 -4.063 1.00 0.00 C ATOM 505 OG1 THR A 598 7.899 -8.969 -3.967 1.00 0.00 O ATOM 506 CG2 THR A 598 6.191 -7.602 -4.866 1.00 0.00 C ATOM 0 H THR A 598 6.805 -7.036 -2.216 1.00 0.00 H new ATOM 0 HA THR A 598 4.797 -9.121 -2.769 1.00 0.00 H new ATOM 0 HB THR A 598 6.053 -9.705 -4.578 1.00 0.00 H new ATOM 0 HG1 THR A 598 8.130 -9.870 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 598 6.677 -7.671 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 598 5.114 -7.507 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 598 6.567 -6.728 -4.334 1.00 0.00 H new ATOM 514 N GLU A 599 6.478 -9.638 -0.475 1.00 0.00 N ATOM 515 CA GLU A 599 7.102 -10.532 0.494 1.00 0.00 C ATOM 516 C GLU A 599 6.208 -10.732 1.714 1.00 0.00 C ATOM 517 O GLU A 599 6.087 -11.842 2.230 1.00 0.00 O ATOM 518 CB GLU A 599 8.459 -9.976 0.931 1.00 0.00 C ATOM 519 CG GLU A 599 9.231 -9.295 -0.187 1.00 0.00 C ATOM 520 CD GLU A 599 9.818 -10.285 -1.175 1.00 0.00 C ATOM 521 OE1 GLU A 599 10.340 -11.329 -0.730 1.00 0.00 O ATOM 522 OE2 GLU A 599 9.756 -10.016 -2.393 1.00 0.00 O ATOM 0 H GLU A 599 6.001 -8.836 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 599 7.247 -11.499 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 599 8.305 -9.263 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 599 9.062 -10.790 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 599 8.569 -8.609 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 599 10.034 -8.696 0.243 1.00 0.00 H new ATOM 529 N CYS A 600 5.587 -9.650 2.174 1.00 0.00 N ATOM 530 CA CYS A 600 4.709 -9.713 3.336 1.00 0.00 C ATOM 531 C CYS A 600 3.251 -9.500 2.939 1.00 0.00 C ATOM 532 O CYS A 600 2.339 -9.823 3.700 1.00 0.00 O ATOM 533 CB CYS A 600 5.124 -8.665 4.372 1.00 0.00 C ATOM 534 SG CYS A 600 6.910 -8.539 4.621 1.00 0.00 S ATOM 0 H CYS A 600 5.676 -8.722 1.761 1.00 0.00 H new ATOM 0 HA CYS A 600 4.803 -10.707 3.772 1.00 0.00 H new ATOM 0 HB2 CYS A 600 4.742 -7.692 4.062 1.00 0.00 H new ATOM 0 HB3 CYS A 600 4.651 -8.904 5.325 1.00 0.00 H new ATOM 539 N GLY A 601 3.036 -8.953 1.746 1.00 0.00 N ATOM 540 CA GLY A 601 1.685 -8.709 1.279 1.00 0.00 C ATOM 541 C GLY A 601 1.139 -7.370 1.742 1.00 0.00 C ATOM 542 O GLY A 601 0.049 -6.966 1.338 1.00 0.00 O ATOM 0 H GLY A 601 3.772 -8.675 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 601 1.669 -8.747 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 601 1.032 -9.506 1.635 1.00 0.00 H new ATOM 546 N VAL A 602 1.897 -6.678 2.591 1.00 0.00 N ATOM 547 CA VAL A 602 1.479 -5.379 3.105 1.00 0.00 C ATOM 548 C VAL A 602 1.148 -4.420 1.967 1.00 0.00 C ATOM 549 O VAL A 602 1.813 -4.418 0.933 1.00 0.00 O ATOM 550 CB VAL A 602 2.572 -4.747 3.993 1.00 0.00 C ATOM 551 CG1 VAL A 602 3.834 -4.471 3.186 1.00 0.00 C ATOM 552 CG2 VAL A 602 2.057 -3.472 4.645 1.00 0.00 C ATOM 0 H VAL A 602 2.803 -6.996 2.936 1.00 0.00 H new ATOM 0 HA VAL A 602 0.586 -5.549 3.706 1.00 0.00 H new ATOM 0 HB VAL A 602 2.826 -5.457 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 602 4.590 -4.026 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 602 4.214 -5.406 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.603 -3.784 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.840 -3.040 5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 602 1.772 -2.758 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 602 1.189 -3.704 5.263 1.00 0.00 H new ATOM 562 N LYS A 603 0.119 -3.601 2.165 1.00 0.00 N ATOM 563 CA LYS A 603 -0.290 -2.637 1.151 1.00 0.00 C ATOM 564 C LYS A 603 -0.348 -1.230 1.738 1.00 0.00 C ATOM 565 O LYS A 603 -0.760 -1.041 2.882 1.00 0.00 O ATOM 566 CB LYS A 603 -1.652 -3.013 0.566 1.00 0.00 C ATOM 567 CG LYS A 603 -1.833 -4.508 0.359 1.00 0.00 C ATOM 568 CD LYS A 603 -2.192 -4.841 -1.081 1.00 0.00 C ATOM 569 CE LYS A 603 -3.399 -5.762 -1.160 1.00 0.00 C ATOM 570 NZ LYS A 603 -4.543 -5.250 -0.356 1.00 0.00 N ATOM 0 H LYS A 603 -0.444 -3.586 3.015 1.00 0.00 H new ATOM 0 HA LYS A 603 0.452 -2.654 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 603 -2.436 -2.649 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 603 -1.781 -2.504 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 603 -0.914 -5.026 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 603 -2.616 -4.874 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 603 -2.400 -3.921 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 603 -1.340 -5.315 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 603 -3.706 -5.869 -2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 603 -3.122 -6.755 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 -5.334 -5.924 -0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 -4.249 -5.139 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 -4.847 -4.329 -0.732 1.00 0.00 H new ATOM 584 N CYS A 604 0.075 -0.250 0.949 1.00 0.00 N ATOM 585 CA CYS A 604 0.080 1.141 1.391 1.00 0.00 C ATOM 586 C CYS A 604 -0.161 2.089 0.221 1.00 0.00 C ATOM 587 O CYS A 604 -0.280 1.659 -0.925 1.00 0.00 O ATOM 588 CB CYS A 604 1.411 1.475 2.064 1.00 0.00 C ATOM 589 SG CYS A 604 2.856 0.809 1.204 1.00 0.00 S ATOM 0 H CYS A 604 0.419 -0.392 -0.001 1.00 0.00 H new ATOM 0 HA CYS A 604 -0.729 1.270 2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 604 1.510 2.558 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 604 1.398 1.090 3.084 1.00 0.00 H new ATOM 0 HG CYS A 604 3.164 -0.350 1.706 1.00 0.00 H new ATOM 595 N HIS A 605 -0.217 3.385 0.516 1.00 0.00 N ATOM 596 CA HIS A 605 -0.427 4.395 -0.510 1.00 0.00 C ATOM 597 C HIS A 605 0.863 4.625 -1.295 1.00 0.00 C ATOM 598 O HIS A 605 1.897 4.027 -0.995 1.00 0.00 O ATOM 599 CB HIS A 605 -0.904 5.706 0.121 1.00 0.00 C ATOM 600 CG HIS A 605 -2.317 5.656 0.621 1.00 0.00 C ATOM 601 ND1 HIS A 605 -2.644 5.583 1.959 1.00 0.00 N ATOM 602 CD2 HIS A 605 -3.498 5.675 -0.048 1.00 0.00 C ATOM 603 CE1 HIS A 605 -3.957 5.559 2.093 1.00 0.00 C ATOM 604 NE2 HIS A 605 -4.499 5.615 0.891 1.00 0.00 N ATOM 0 H HIS A 605 -0.119 3.758 1.460 1.00 0.00 H new ATOM 0 HA HIS A 605 -1.196 4.040 -1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.244 5.961 0.950 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.816 6.506 -0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -3.627 5.728 -1.119 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -4.496 5.503 3.027 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.499 5.614 0.691 1.00 0.00 H new ATOM 612 N GLU A 606 0.797 5.488 -2.303 1.00 0.00 N ATOM 613 CA GLU A 606 1.961 5.785 -3.130 1.00 0.00 C ATOM 614 C GLU A 606 3.115 6.341 -2.297 1.00 0.00 C ATOM 615 O GLU A 606 4.206 5.772 -2.276 1.00 0.00 O ATOM 616 CB GLU A 606 1.588 6.782 -4.230 1.00 0.00 C ATOM 617 CG GLU A 606 2.716 7.056 -5.211 1.00 0.00 C ATOM 618 CD GLU A 606 2.225 7.194 -6.639 1.00 0.00 C ATOM 619 OE1 GLU A 606 1.085 7.667 -6.832 1.00 0.00 O ATOM 620 OE2 GLU A 606 2.980 6.829 -7.565 1.00 0.00 O ATOM 0 H GLU A 606 -0.049 5.993 -2.567 1.00 0.00 H new ATOM 0 HA GLU A 606 2.291 4.850 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 606 0.726 6.400 -4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 606 1.282 7.721 -3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 606 3.233 7.970 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 606 3.444 6.247 -5.157 1.00 0.00 H new ATOM 627 N LYS A 607 2.874 7.461 -1.623 1.00 0.00 N ATOM 628 CA LYS A 607 3.901 8.096 -0.801 1.00 0.00 C ATOM 629 C LYS A 607 4.142 7.323 0.494 1.00 0.00 C ATOM 630 O LYS A 607 5.273 7.234 0.976 1.00 0.00 O ATOM 631 CB LYS A 607 3.502 9.536 -0.477 1.00 0.00 C ATOM 632 CG LYS A 607 2.127 9.658 0.163 1.00 0.00 C ATOM 633 CD LYS A 607 2.225 10.041 1.632 1.00 0.00 C ATOM 634 CE LYS A 607 1.829 11.492 1.858 1.00 0.00 C ATOM 635 NZ LYS A 607 2.980 12.418 1.676 1.00 0.00 N ATOM 0 H LYS A 607 1.978 7.948 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 607 4.829 8.095 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 607 4.245 9.968 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 607 3.520 10.124 -1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.542 10.407 -0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 607 1.595 8.711 0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 607 1.580 9.391 2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 607 3.245 9.882 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 607 1.033 11.763 1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 607 1.428 11.606 2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 2.668 13.396 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 3.730 12.177 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 3.347 12.329 0.707 1.00 0.00 H new ATOM 649 N CYS A 608 3.073 6.772 1.058 1.00 0.00 N ATOM 650 CA CYS A 608 3.174 6.017 2.303 1.00 0.00 C ATOM 651 C CYS A 608 4.148 4.849 2.171 1.00 0.00 C ATOM 652 O CYS A 608 4.666 4.350 3.169 1.00 0.00 O ATOM 653 CB CYS A 608 1.797 5.508 2.725 1.00 0.00 C ATOM 654 SG CYS A 608 0.740 6.783 3.451 1.00 0.00 S ATOM 0 H CYS A 608 2.130 6.833 0.675 1.00 0.00 H new ATOM 0 HA CYS A 608 3.559 6.689 3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 608 1.294 5.084 1.856 1.00 0.00 H new ATOM 0 HB3 CYS A 608 1.924 4.700 3.446 1.00 0.00 H new ATOM 659 N GLN A 609 4.400 4.415 0.938 1.00 0.00 N ATOM 660 CA GLN A 609 5.318 3.307 0.695 1.00 0.00 C ATOM 661 C GLN A 609 6.683 3.587 1.319 1.00 0.00 C ATOM 662 O GLN A 609 7.351 2.678 1.813 1.00 0.00 O ATOM 663 CB GLN A 609 5.462 3.050 -0.811 1.00 0.00 C ATOM 664 CG GLN A 609 6.426 3.998 -1.512 1.00 0.00 C ATOM 665 CD GLN A 609 6.564 3.700 -2.992 1.00 0.00 C ATOM 666 OE1 GLN A 609 7.450 2.953 -3.407 1.00 0.00 O ATOM 667 NE2 GLN A 609 5.684 4.284 -3.799 1.00 0.00 N ATOM 0 H GLN A 609 3.983 4.812 0.096 1.00 0.00 H new ATOM 0 HA GLN A 609 4.905 2.414 1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 609 5.801 2.025 -0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 609 4.481 3.134 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 609 6.080 5.023 -1.382 1.00 0.00 H new ATOM 0 HG3 GLN A 609 7.405 3.930 -1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 609 4.966 4.896 -3.412 1.00 0.00 H new ATOM 0 HE22 GLN A 609 5.727 4.120 -4.805 1.00 0.00 H new ATOM 676 N ASP A 610 7.088 4.853 1.294 1.00 0.00 N ATOM 677 CA ASP A 610 8.368 5.258 1.860 1.00 0.00 C ATOM 678 C ASP A 610 8.227 5.567 3.346 1.00 0.00 C ATOM 679 O ASP A 610 9.132 5.298 4.136 1.00 0.00 O ATOM 680 CB ASP A 610 8.913 6.480 1.120 1.00 0.00 C ATOM 681 CG ASP A 610 10.423 6.449 0.985 1.00 0.00 C ATOM 682 OD1 ASP A 610 10.930 5.640 0.179 1.00 0.00 O ATOM 683 OD2 ASP A 610 11.098 7.233 1.685 1.00 0.00 O ATOM 0 H ASP A 610 6.547 5.616 0.887 1.00 0.00 H new ATOM 0 HA ASP A 610 9.069 4.432 1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.463 6.531 0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.617 7.385 1.651 1.00 0.00 H new ATOM 688 N LEU A 611 7.083 6.132 3.720 1.00 0.00 N ATOM 689 CA LEU A 611 6.821 6.476 5.114 1.00 0.00 C ATOM 690 C LEU A 611 6.601 5.224 5.955 1.00 0.00 C ATOM 691 O LEU A 611 6.890 5.208 7.151 1.00 0.00 O ATOM 692 CB LEU A 611 5.600 7.391 5.214 1.00 0.00 C ATOM 693 CG LEU A 611 5.769 8.765 4.566 1.00 0.00 C ATOM 694 CD1 LEU A 611 4.416 9.347 4.186 1.00 0.00 C ATOM 695 CD2 LEU A 611 6.515 9.705 5.500 1.00 0.00 C ATOM 0 H LEU A 611 6.324 6.361 3.079 1.00 0.00 H new ATOM 0 HA LEU A 611 7.695 7.001 5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 611 4.750 6.890 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 611 5.354 7.530 6.267 1.00 0.00 H new ATOM 0 HG LEU A 611 6.357 8.647 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 611 4.557 10.325 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 611 3.919 8.682 3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 611 3.801 9.451 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 611 6.627 10.679 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 611 5.954 9.817 6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 611 7.500 9.293 5.720 1.00 0.00 H new ATOM 707 N LEU A 612 6.084 4.175 5.323 1.00 0.00 N ATOM 708 CA LEU A 612 5.821 2.917 6.013 1.00 0.00 C ATOM 709 C LEU A 612 7.097 2.357 6.634 1.00 0.00 C ATOM 710 O LEU A 612 8.197 2.586 6.132 1.00 0.00 O ATOM 711 CB LEU A 612 5.222 1.895 5.044 1.00 0.00 C ATOM 712 CG LEU A 612 4.374 0.803 5.695 1.00 0.00 C ATOM 713 CD1 LEU A 612 3.315 0.303 4.726 1.00 0.00 C ATOM 714 CD2 LEU A 612 5.255 -0.345 6.166 1.00 0.00 C ATOM 0 H LEU A 612 5.839 4.171 4.333 1.00 0.00 H new ATOM 0 HA LEU A 612 5.106 3.114 6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 612 4.608 2.425 4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 612 6.034 1.422 4.492 1.00 0.00 H new ATOM 0 HG LEU A 612 3.871 1.228 6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 612 2.720 -0.474 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 612 2.666 1.130 4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 612 3.798 -0.106 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 612 4.635 -1.114 6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 612 5.786 -0.770 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 612 5.976 0.025 6.895 1.00 0.00 H new ATOM 726 N ASN A 613 6.940 1.618 7.728 1.00 0.00 N ATOM 727 CA ASN A 613 8.077 1.022 8.418 1.00 0.00 C ATOM 728 C ASN A 613 8.647 -0.143 7.616 1.00 0.00 C ATOM 729 O ASN A 613 7.916 -1.047 7.211 1.00 0.00 O ATOM 730 CB ASN A 613 7.663 0.543 9.810 1.00 0.00 C ATOM 731 CG ASN A 613 6.862 1.585 10.567 1.00 0.00 C ATOM 732 OD1 ASN A 613 7.279 2.736 10.693 1.00 0.00 O ATOM 733 ND2 ASN A 613 5.703 1.183 11.078 1.00 0.00 N ATOM 0 H ASN A 613 6.036 1.418 8.155 1.00 0.00 H new ATOM 0 HA ASN A 613 8.849 1.784 8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 613 7.072 -0.368 9.717 1.00 0.00 H new ATOM 0 HB3 ASN A 613 8.554 0.287 10.383 1.00 0.00 H new ATOM 0 HD21 ASN A 613 5.120 1.839 11.599 1.00 0.00 H new ATOM 0 HD22 ASN A 613 5.396 0.219 10.949 1.00 0.00 H new ATOM 740 N ALA A 614 9.956 -0.114 7.388 1.00 0.00 N ATOM 741 CA ALA A 614 10.622 -1.169 6.634 1.00 0.00 C ATOM 742 C ALA A 614 11.104 -2.283 7.557 1.00 0.00 C ATOM 743 O ALA A 614 11.481 -2.035 8.702 1.00 0.00 O ATOM 744 CB ALA A 614 11.785 -0.595 5.838 1.00 0.00 C ATOM 0 H ALA A 614 10.576 0.628 7.714 1.00 0.00 H new ATOM 0 HA ALA A 614 9.900 -1.598 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 614 12.273 -1.394 5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 614 11.414 0.159 5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 614 12.502 -0.138 6.520 1.00 0.00 H new ATOM 750 N ASP A 615 11.091 -3.512 7.049 1.00 0.00 N ATOM 751 CA ASP A 615 11.528 -4.666 7.825 1.00 0.00 C ATOM 752 C ASP A 615 11.670 -5.896 6.935 1.00 0.00 C ATOM 753 O ASP A 615 11.321 -7.007 7.332 1.00 0.00 O ATOM 754 CB ASP A 615 10.537 -4.951 8.957 1.00 0.00 C ATOM 755 CG ASP A 615 11.228 -5.380 10.236 1.00 0.00 C ATOM 756 OD1 ASP A 615 12.401 -5.805 10.164 1.00 0.00 O ATOM 757 OD2 ASP A 615 10.597 -5.291 11.311 1.00 0.00 O ATOM 0 H ASP A 615 10.782 -3.733 6.102 1.00 0.00 H new ATOM 0 HA ASP A 615 12.503 -4.436 8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 615 9.944 -4.057 9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 615 9.845 -5.732 8.642 1.00 0.00 H new ATOM 762 N CYS A 616 12.185 -5.688 5.727 1.00 0.00 N ATOM 763 CA CYS A 616 12.374 -6.778 4.778 1.00 0.00 C ATOM 764 C CYS A 616 13.849 -6.946 4.428 1.00 0.00 C ATOM 765 O CYS A 616 14.600 -5.953 4.540 1.00 0.00 O ATOM 766 CB CYS A 616 11.559 -6.521 3.507 1.00 0.00 C ATOM 767 SG CYS A 616 10.436 -7.868 3.066 1.00 0.00 S ATOM 0 H CYS A 616 12.479 -4.774 5.383 1.00 0.00 H new ATOM 0 HA CYS A 616 12.025 -7.699 5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 616 10.979 -5.607 3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 616 12.244 -6.347 2.677 1.00 0.00 H new TER 772 CYS A 616 HETATM 773 ZN ZN A 701 8.058 -7.093 3.114 1.00 0.00 ZN HETATM 774 ZN ZN A 702 -1.186 5.549 3.728 1.00 0.00 ZN