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 -165:sc= -5.88 (180deg=-6.47!) USER MOD Set 1.2: A 609 GLN : amide:sc= -0.439 K(o=-6.3,f=-9) USER MOD Set 2.1: A 573 THR OG1 : rot 180:sc= 0.0492 USER MOD Set 2.2: A 593 GLN : amide:sc= 0.056 X(o=0.11,f=0.11) USER MOD Set 3.1: A 568 ASN : amide:sc= -0.0298 K(o=0.5,f=-0.53) USER MOD Set 3.2: A 598 THR OG1 : rot 67:sc= 0.526 USER MOD Single : A 566 GLN : amide:sc= -0.641 K(o=-0.64,f=-2.4!) USER MOD Single : A 575 THR OG1 : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc= 0 USER MOD Single : A 578 THR OG1 : rot 67:sc= 0.38 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 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 604 CYS SG : rot -90:sc= -0.53 USER MOD Single : A 607 LYS NZ :NH3+ -160:sc= -0.0646 (180deg=-0.397) USER MOD Single : A 613 ASN : amide:sc= 0.0991 K(o=0.099,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 566 14.113 -5.005 3.126 1.00 0.00 N ATOM 2 CA GLN A 566 13.116 -3.921 2.925 1.00 0.00 C ATOM 3 C GLN A 566 11.922 -4.415 2.115 1.00 0.00 C ATOM 4 O GLN A 566 12.069 -5.239 1.213 1.00 0.00 O ATOM 5 CB GLN A 566 13.799 -2.758 2.202 1.00 0.00 C ATOM 6 CG GLN A 566 13.143 -1.411 2.462 1.00 0.00 C ATOM 7 CD GLN A 566 14.034 -0.469 3.249 1.00 0.00 C ATOM 8 OE1 GLN A 566 15.021 -0.889 3.854 1.00 0.00 O ATOM 9 NE2 GLN A 566 13.689 0.814 3.243 1.00 0.00 N ATOM 0 HA GLN A 566 12.743 -3.593 3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 566 14.843 -2.711 2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 566 13.794 -2.954 1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 566 12.883 -0.948 1.510 1.00 0.00 H new ATOM 0 HG3 GLN A 566 12.212 -1.564 3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 566 12.863 1.118 2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 566 14.250 1.495 3.754 1.00 0.00 H new ATOM 18 N HIS A 567 10.739 -3.905 2.444 1.00 0.00 N ATOM 19 CA HIS A 567 9.519 -4.296 1.746 1.00 0.00 C ATOM 20 C HIS A 567 9.574 -3.891 0.279 1.00 0.00 C ATOM 21 O HIS A 567 9.702 -2.710 -0.046 1.00 0.00 O ATOM 22 CB HIS A 567 8.300 -3.657 2.412 1.00 0.00 C ATOM 23 CG HIS A 567 8.208 -3.940 3.878 1.00 0.00 C ATOM 24 ND1 HIS A 567 7.818 -5.160 4.384 1.00 0.00 N ATOM 25 CD2 HIS A 567 8.464 -3.153 4.951 1.00 0.00 C ATOM 26 CE1 HIS A 567 7.834 -5.114 5.704 1.00 0.00 C ATOM 27 NE2 HIS A 567 8.224 -3.908 6.073 1.00 0.00 N ATOM 0 H HIS A 567 10.599 -3.221 3.188 1.00 0.00 H new ATOM 0 HA HIS A 567 9.433 -5.381 1.802 1.00 0.00 H new ATOM 0 HB2 HIS A 567 8.335 -2.578 2.259 1.00 0.00 H new ATOM 0 HB3 HIS A 567 7.396 -4.019 1.922 1.00 0.00 H new ATOM 0 HD2 HIS A 567 8.795 -2.125 4.928 1.00 0.00 H new ATOM 0 HE1 HIS A 567 7.573 -5.925 6.368 1.00 0.00 H new ATOM 0 HE2 HIS A 567 8.330 -3.588 7.036 1.00 0.00 H new ATOM 35 N ASN A 568 9.466 -4.876 -0.604 1.00 0.00 N ATOM 36 CA ASN A 568 9.491 -4.618 -2.039 1.00 0.00 C ATOM 37 C ASN A 568 8.160 -4.029 -2.489 1.00 0.00 C ATOM 38 O ASN A 568 7.429 -4.637 -3.271 1.00 0.00 O ATOM 39 CB ASN A 568 9.783 -5.908 -2.808 1.00 0.00 C ATOM 40 CG ASN A 568 10.449 -5.648 -4.144 1.00 0.00 C ATOM 41 OD1 ASN A 568 11.370 -4.838 -4.243 1.00 0.00 O ATOM 42 ND2 ASN A 568 9.983 -6.334 -5.181 1.00 0.00 N ATOM 0 H ASN A 568 9.360 -5.859 -0.353 1.00 0.00 H new ATOM 0 HA ASN A 568 10.284 -3.900 -2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 568 10.425 -6.550 -2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 568 8.851 -6.450 -2.969 1.00 0.00 H new ATOM 0 HD21 ASN A 568 10.391 -6.199 -6.106 1.00 0.00 H new ATOM 0 HD22 ASN A 568 9.217 -6.996 -5.052 1.00 0.00 H new ATOM 49 N PHE A 569 7.849 -2.845 -1.978 1.00 0.00 N ATOM 50 CA PHE A 569 6.602 -2.171 -2.312 1.00 0.00 C ATOM 51 C PHE A 569 6.519 -1.874 -3.803 1.00 0.00 C ATOM 52 O PHE A 569 7.280 -1.063 -4.330 1.00 0.00 O ATOM 53 CB PHE A 569 6.472 -0.874 -1.514 1.00 0.00 C ATOM 54 CG PHE A 569 6.031 -1.082 -0.093 1.00 0.00 C ATOM 55 CD1 PHE A 569 4.760 -1.558 0.190 1.00 0.00 C ATOM 56 CD2 PHE A 569 6.885 -0.799 0.960 1.00 0.00 C ATOM 57 CE1 PHE A 569 4.351 -1.746 1.496 1.00 0.00 C ATOM 58 CE2 PHE A 569 6.481 -0.985 2.268 1.00 0.00 C ATOM 59 CZ PHE A 569 5.213 -1.459 2.537 1.00 0.00 C ATOM 0 H PHE A 569 8.445 -2.331 -1.329 1.00 0.00 H new ATOM 0 HA PHE A 569 5.780 -2.837 -2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 569 7.433 -0.359 -1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 569 5.759 -0.219 -2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 569 4.082 -1.784 -0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 569 7.879 -0.428 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 569 3.358 -2.117 1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 569 7.157 -0.760 3.080 1.00 0.00 H new ATOM 0 HZ PHE A 569 4.895 -1.605 3.559 1.00 0.00 H new ATOM 69 N GLU A 570 5.582 -2.531 -4.474 1.00 0.00 N ATOM 70 CA GLU A 570 5.382 -2.337 -5.904 1.00 0.00 C ATOM 71 C GLU A 570 4.023 -1.700 -6.162 1.00 0.00 C ATOM 72 O GLU A 570 3.116 -1.801 -5.336 1.00 0.00 O ATOM 73 CB GLU A 570 5.485 -3.672 -6.644 1.00 0.00 C ATOM 74 CG GLU A 570 4.393 -4.662 -6.269 1.00 0.00 C ATOM 75 CD GLU A 570 3.796 -5.358 -7.476 1.00 0.00 C ATOM 76 OE1 GLU A 570 4.430 -6.304 -7.989 1.00 0.00 O ATOM 77 OE2 GLU A 570 2.696 -4.957 -7.910 1.00 0.00 O ATOM 0 H GLU A 570 4.946 -3.206 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 570 6.161 -1.672 -6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 570 5.443 -3.487 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 570 6.457 -4.119 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 570 4.803 -5.409 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 570 3.604 -4.139 -5.729 1.00 0.00 H new ATOM 84 N VAL A 571 3.884 -1.041 -7.305 1.00 0.00 N ATOM 85 CA VAL A 571 2.629 -0.390 -7.652 1.00 0.00 C ATOM 86 C VAL A 571 1.502 -1.410 -7.776 1.00 0.00 C ATOM 87 O VAL A 571 1.424 -2.151 -8.754 1.00 0.00 O ATOM 88 CB VAL A 571 2.745 0.395 -8.972 1.00 0.00 C ATOM 89 CG1 VAL A 571 1.490 1.223 -9.211 1.00 0.00 C ATOM 90 CG2 VAL A 571 3.982 1.281 -8.959 1.00 0.00 C ATOM 0 H VAL A 571 4.621 -0.944 -8.004 1.00 0.00 H new ATOM 0 HA VAL A 571 2.401 0.308 -6.846 1.00 0.00 H new ATOM 0 HB VAL A 571 2.845 -0.317 -9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 571 1.589 1.771 -10.148 1.00 0.00 H new ATOM 0 HG12 VAL A 571 0.624 0.563 -9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 571 1.357 1.928 -8.390 1.00 0.00 H new ATOM 0 HG21 VAL A 571 4.048 1.828 -9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 571 3.915 1.988 -8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 571 4.871 0.663 -8.836 1.00 0.00 H new ATOM 100 N TRP A 572 0.629 -1.436 -6.774 1.00 0.00 N ATOM 101 CA TRP A 572 -0.498 -2.359 -6.764 1.00 0.00 C ATOM 102 C TRP A 572 -1.813 -1.591 -6.664 1.00 0.00 C ATOM 103 O TRP A 572 -1.950 -0.684 -5.844 1.00 0.00 O ATOM 104 CB TRP A 572 -0.368 -3.349 -5.593 1.00 0.00 C ATOM 105 CG TRP A 572 -1.683 -3.767 -5.000 1.00 0.00 C ATOM 106 CD1 TRP A 572 -2.424 -4.864 -5.334 1.00 0.00 C ATOM 107 CD2 TRP A 572 -2.415 -3.085 -3.974 1.00 0.00 C ATOM 108 NE1 TRP A 572 -3.573 -4.905 -4.580 1.00 0.00 N ATOM 109 CE2 TRP A 572 -3.590 -3.824 -3.737 1.00 0.00 C ATOM 110 CE3 TRP A 572 -2.191 -1.922 -3.231 1.00 0.00 C ATOM 111 CZ2 TRP A 572 -4.536 -3.435 -2.790 1.00 0.00 C ATOM 112 CZ3 TRP A 572 -3.131 -1.539 -2.293 1.00 0.00 C ATOM 113 CH2 TRP A 572 -4.290 -2.295 -2.081 1.00 0.00 C ATOM 0 H TRP A 572 0.682 -0.827 -5.958 1.00 0.00 H new ATOM 0 HA TRP A 572 -0.494 -2.921 -7.698 1.00 0.00 H new ATOM 0 HB2 TRP A 572 0.162 -4.237 -5.938 1.00 0.00 H new ATOM 0 HB3 TRP A 572 0.243 -2.895 -4.813 1.00 0.00 H new ATOM 0 HD1 TRP A 572 -2.148 -5.593 -6.081 1.00 0.00 H new ATOM 0 HE1 TRP A 572 -4.295 -5.623 -4.638 1.00 0.00 H new ATOM 0 HE3 TRP A 572 -1.299 -1.333 -3.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 572 -5.432 -4.015 -2.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 572 -2.969 -0.642 -1.714 1.00 0.00 H new ATOM 0 HH2 TRP A 572 -5.005 -1.969 -1.340 1.00 0.00 H new ATOM 124 N THR A 573 -2.778 -1.965 -7.494 1.00 0.00 N ATOM 125 CA THR A 573 -4.078 -1.310 -7.484 1.00 0.00 C ATOM 126 C THR A 573 -5.085 -2.126 -6.686 1.00 0.00 C ATOM 127 O THR A 573 -5.395 -3.265 -7.036 1.00 0.00 O ATOM 128 CB THR A 573 -4.588 -1.092 -8.908 1.00 0.00 C ATOM 129 OG1 THR A 573 -3.554 -0.600 -9.743 1.00 0.00 O ATOM 130 CG2 THR A 573 -5.743 -0.117 -8.983 1.00 0.00 C ATOM 0 H THR A 573 -2.685 -2.715 -8.179 1.00 0.00 H new ATOM 0 HA THR A 573 -3.960 -0.337 -7.006 1.00 0.00 H new ATOM 0 HB THR A 573 -4.934 -2.069 -9.245 1.00 0.00 H new ATOM 0 HG1 THR A 573 -3.901 -0.469 -10.650 1.00 0.00 H new ATOM 0 HG21 THR A 573 -6.059 -0.006 -10.020 1.00 0.00 H new ATOM 0 HG22 THR A 573 -6.576 -0.493 -8.389 1.00 0.00 H new ATOM 0 HG23 THR A 573 -5.428 0.851 -8.594 1.00 0.00 H new ATOM 138 N ALA A 574 -5.588 -1.538 -5.608 1.00 0.00 N ATOM 139 CA ALA A 574 -6.557 -2.209 -4.754 1.00 0.00 C ATOM 140 C ALA A 574 -7.881 -2.417 -5.481 1.00 0.00 C ATOM 141 O ALA A 574 -8.579 -1.459 -5.804 1.00 0.00 O ATOM 142 CB ALA A 574 -6.773 -1.414 -3.474 1.00 0.00 C ATOM 0 H ALA A 574 -5.340 -0.596 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 574 -6.158 -3.190 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 574 -7.500 -1.928 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 574 -5.828 -1.324 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 574 -7.145 -0.420 -3.722 1.00 0.00 H new ATOM 148 N THR A 575 -8.225 -3.675 -5.728 1.00 0.00 N ATOM 149 CA THR A 575 -9.474 -4.001 -6.405 1.00 0.00 C ATOM 150 C THR A 575 -10.656 -3.773 -5.467 1.00 0.00 C ATOM 151 O THR A 575 -11.777 -3.521 -5.909 1.00 0.00 O ATOM 152 CB THR A 575 -9.458 -5.451 -6.893 1.00 0.00 C ATOM 153 OG1 THR A 575 -9.209 -6.340 -5.819 1.00 0.00 O ATOM 154 CG2 THR A 575 -8.414 -5.708 -7.958 1.00 0.00 C ATOM 0 H THR A 575 -7.659 -4.484 -5.471 1.00 0.00 H new ATOM 0 HA THR A 575 -9.580 -3.347 -7.270 1.00 0.00 H new ATOM 0 HB THR A 575 -10.444 -5.624 -7.324 1.00 0.00 H new ATOM 0 HG1 THR A 575 -9.205 -7.262 -6.152 1.00 0.00 H new ATOM 0 HG21 THR A 575 -8.454 -6.754 -8.262 1.00 0.00 H new ATOM 0 HG22 THR A 575 -8.610 -5.072 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 575 -7.425 -5.483 -7.559 1.00 0.00 H new ATOM 162 N THR A 576 -10.387 -3.853 -4.167 1.00 0.00 N ATOM 163 CA THR A 576 -11.411 -3.645 -3.152 1.00 0.00 C ATOM 164 C THR A 576 -10.883 -2.726 -2.053 1.00 0.00 C ATOM 165 O THR A 576 -9.673 -2.571 -1.895 1.00 0.00 O ATOM 166 CB THR A 576 -11.845 -4.982 -2.552 1.00 0.00 C ATOM 167 OG1 THR A 576 -10.718 -5.745 -2.159 1.00 0.00 O ATOM 168 CG2 THR A 576 -12.664 -5.829 -3.502 1.00 0.00 C ATOM 0 H THR A 576 -9.462 -4.062 -3.792 1.00 0.00 H new ATOM 0 HA THR A 576 -12.275 -3.175 -3.622 1.00 0.00 H new ATOM 0 HB THR A 576 -12.467 -4.724 -1.695 1.00 0.00 H new ATOM 0 HG1 THR A 576 -11.017 -6.596 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 576 -12.938 -6.763 -3.012 1.00 0.00 H new ATOM 0 HG22 THR A 576 -13.567 -5.289 -3.785 1.00 0.00 H new ATOM 0 HG23 THR A 576 -12.077 -6.046 -4.394 1.00 0.00 H new ATOM 176 N PRO A 577 -11.783 -2.101 -1.276 1.00 0.00 N ATOM 177 CA PRO A 577 -11.392 -1.196 -0.193 1.00 0.00 C ATOM 178 C PRO A 577 -10.281 -1.777 0.680 1.00 0.00 C ATOM 179 O PRO A 577 -10.488 -2.757 1.395 1.00 0.00 O ATOM 180 CB PRO A 577 -12.680 -1.043 0.613 1.00 0.00 C ATOM 181 CG PRO A 577 -13.771 -1.239 -0.382 1.00 0.00 C ATOM 182 CD PRO A 577 -13.249 -2.226 -1.393 1.00 0.00 C ATOM 0 HA PRO A 577 -10.991 -0.255 -0.570 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -12.737 -1.780 1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -12.741 -0.060 1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -14.673 -1.616 0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -14.035 -0.296 -0.860 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -13.584 -3.240 -1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -13.593 -1.988 -2.400 1.00 0.00 H new ATOM 190 N THR A 578 -9.101 -1.166 0.615 1.00 0.00 N ATOM 191 CA THR A 578 -7.956 -1.623 1.398 1.00 0.00 C ATOM 192 C THR A 578 -7.339 -0.466 2.185 1.00 0.00 C ATOM 193 O THR A 578 -7.134 0.623 1.650 1.00 0.00 O ATOM 194 CB THR A 578 -6.910 -2.272 0.482 1.00 0.00 C ATOM 195 OG1 THR A 578 -7.416 -3.472 -0.077 1.00 0.00 O ATOM 196 CG2 THR A 578 -5.612 -2.609 1.185 1.00 0.00 C ATOM 0 H THR A 578 -8.912 -0.353 0.028 1.00 0.00 H new ATOM 0 HA THR A 578 -8.304 -2.369 2.112 1.00 0.00 H new ATOM 0 HB THR A 578 -6.701 -1.527 -0.286 1.00 0.00 H new ATOM 0 HG1 THR A 578 -8.148 -3.262 -0.694 1.00 0.00 H new ATOM 0 HG21 THR A 578 -4.921 -3.064 0.475 1.00 0.00 H new ATOM 0 HG22 THR A 578 -5.170 -1.698 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.809 -3.308 1.998 1.00 0.00 H new ATOM 204 N TYR A 579 -7.051 -0.712 3.461 1.00 0.00 N ATOM 205 CA TYR A 579 -6.464 0.306 4.331 1.00 0.00 C ATOM 206 C TYR A 579 -4.941 0.327 4.212 1.00 0.00 C ATOM 207 O TYR A 579 -4.323 -0.667 3.832 1.00 0.00 O ATOM 208 CB TYR A 579 -6.862 0.050 5.787 1.00 0.00 C ATOM 209 CG TYR A 579 -8.184 0.676 6.166 1.00 0.00 C ATOM 210 CD1 TYR A 579 -9.270 0.609 5.306 1.00 0.00 C ATOM 211 CD2 TYR A 579 -8.344 1.334 7.378 1.00 0.00 C ATOM 212 CE1 TYR A 579 -10.482 1.181 5.640 1.00 0.00 C ATOM 213 CE2 TYR A 579 -9.554 1.909 7.721 1.00 0.00 C ATOM 214 CZ TYR A 579 -10.619 1.830 6.849 1.00 0.00 C ATOM 215 OH TYR A 579 -11.825 2.402 7.187 1.00 0.00 O ATOM 0 H TYR A 579 -7.215 -1.610 3.917 1.00 0.00 H new ATOM 0 HA TYR A 579 -6.847 1.276 4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 579 -6.915 -1.025 5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 579 -6.083 0.439 6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 579 -9.166 0.101 4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 579 -7.511 1.398 8.063 1.00 0.00 H new ATOM 0 HE1 TYR A 579 -11.317 1.120 4.958 1.00 0.00 H new ATOM 0 HE2 TYR A 579 -9.664 2.418 8.667 1.00 0.00 H new ATOM 0 HH TYR A 579 -11.753 2.818 8.071 1.00 0.00 H new ATOM 225 N CYS A 580 -4.347 1.469 4.542 1.00 0.00 N ATOM 226 CA CYS A 580 -2.898 1.632 4.480 1.00 0.00 C ATOM 227 C CYS A 580 -2.234 1.133 5.758 1.00 0.00 C ATOM 228 O CYS A 580 -2.554 1.587 6.854 1.00 0.00 O ATOM 229 CB CYS A 580 -2.544 3.102 4.249 1.00 0.00 C ATOM 230 SG CYS A 580 -0.785 3.401 3.970 1.00 0.00 S ATOM 0 H CYS A 580 -4.849 2.299 4.857 1.00 0.00 H new ATOM 0 HA CYS A 580 -2.526 1.036 3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 580 -3.105 3.469 3.389 1.00 0.00 H new ATOM 0 HB3 CYS A 580 -2.868 3.683 5.113 1.00 0.00 H new ATOM 235 N TYR A 581 -1.305 0.199 5.610 1.00 0.00 N ATOM 236 CA TYR A 581 -0.590 -0.359 6.751 1.00 0.00 C ATOM 237 C TYR A 581 0.198 0.719 7.496 1.00 0.00 C ATOM 238 O TYR A 581 0.646 0.503 8.622 1.00 0.00 O ATOM 239 CB TYR A 581 0.360 -1.461 6.282 1.00 0.00 C ATOM 240 CG TYR A 581 0.304 -2.709 7.130 1.00 0.00 C ATOM 241 CD1 TYR A 581 -0.889 -3.396 7.304 1.00 0.00 C ATOM 242 CD2 TYR A 581 1.444 -3.199 7.753 1.00 0.00 C ATOM 243 CE1 TYR A 581 -0.945 -4.539 8.079 1.00 0.00 C ATOM 244 CE2 TYR A 581 1.396 -4.340 8.529 1.00 0.00 C ATOM 245 CZ TYR A 581 0.200 -5.007 8.689 1.00 0.00 C ATOM 246 OH TYR A 581 0.147 -6.144 9.461 1.00 0.00 O ATOM 0 H TYR A 581 -1.028 -0.190 4.709 1.00 0.00 H new ATOM 0 HA TYR A 581 -1.326 -0.777 7.437 1.00 0.00 H new ATOM 0 HB2 TYR A 581 0.120 -1.721 5.251 1.00 0.00 H new ATOM 0 HB3 TYR A 581 1.380 -1.076 6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 581 -1.787 -3.032 6.827 1.00 0.00 H new ATOM 0 HD2 TYR A 581 2.383 -2.680 7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 581 -1.881 -5.063 8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 581 2.291 -4.708 9.008 1.00 0.00 H new ATOM 0 HH TYR A 581 1.039 -6.339 9.818 1.00 0.00 H new ATOM 256 N GLU A 582 0.382 1.871 6.856 1.00 0.00 N ATOM 257 CA GLU A 582 1.136 2.967 7.459 1.00 0.00 C ATOM 258 C GLU A 582 0.247 3.879 8.305 1.00 0.00 C ATOM 259 O GLU A 582 0.507 4.081 9.491 1.00 0.00 O ATOM 260 CB GLU A 582 1.834 3.787 6.370 1.00 0.00 C ATOM 261 CG GLU A 582 2.650 4.954 6.908 1.00 0.00 C ATOM 262 CD GLU A 582 3.612 4.541 8.004 1.00 0.00 C ATOM 263 OE1 GLU A 582 3.964 3.344 8.065 1.00 0.00 O ATOM 264 OE2 GLU A 582 4.017 5.414 8.799 1.00 0.00 O ATOM 0 H GLU A 582 0.021 2.070 5.923 1.00 0.00 H new ATOM 0 HA GLU A 582 1.881 2.524 8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.490 3.130 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 582 1.083 4.169 5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 582 3.211 5.407 6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 582 1.974 5.718 7.293 1.00 0.00 H new ATOM 271 N CYS A 583 -0.788 4.445 7.690 1.00 0.00 N ATOM 272 CA CYS A 583 -1.690 5.351 8.399 1.00 0.00 C ATOM 273 C CYS A 583 -3.088 4.758 8.562 1.00 0.00 C ATOM 274 O CYS A 583 -4.030 5.467 8.913 1.00 0.00 O ATOM 275 CB CYS A 583 -1.782 6.686 7.659 1.00 0.00 C ATOM 276 SG CYS A 583 -2.295 6.538 5.931 1.00 0.00 S ATOM 0 H CYS A 583 -1.023 4.294 6.709 1.00 0.00 H new ATOM 0 HA CYS A 583 -1.276 5.507 9.395 1.00 0.00 H new ATOM 0 HB2 CYS A 583 -2.487 7.331 8.182 1.00 0.00 H new ATOM 0 HB3 CYS A 583 -0.810 7.178 7.698 1.00 0.00 H new ATOM 281 N GLU A 584 -3.223 3.459 8.310 1.00 0.00 N ATOM 282 CA GLU A 584 -4.514 2.784 8.434 1.00 0.00 C ATOM 283 C GLU A 584 -5.621 3.583 7.747 1.00 0.00 C ATOM 284 O GLU A 584 -6.669 3.844 8.338 1.00 0.00 O ATOM 285 CB GLU A 584 -4.859 2.575 9.910 1.00 0.00 C ATOM 286 CG GLU A 584 -3.961 1.566 10.608 1.00 0.00 C ATOM 287 CD GLU A 584 -4.146 0.158 10.078 1.00 0.00 C ATOM 288 OE1 GLU A 584 -5.309 -0.278 9.944 1.00 0.00 O ATOM 289 OE2 GLU A 584 -3.128 -0.510 9.797 1.00 0.00 O ATOM 0 H GLU A 584 -2.456 2.852 8.019 1.00 0.00 H new ATOM 0 HA GLU A 584 -4.438 1.814 7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 584 -4.790 3.531 10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 584 -5.894 2.243 9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 584 -2.920 1.864 10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 584 -4.170 1.578 11.678 1.00 0.00 H new ATOM 296 N GLY A 585 -5.378 3.975 6.501 1.00 0.00 N ATOM 297 CA GLY A 585 -6.361 4.745 5.764 1.00 0.00 C ATOM 298 C GLY A 585 -6.774 4.088 4.461 1.00 0.00 C ATOM 299 O GLY A 585 -5.934 3.789 3.611 1.00 0.00 O ATOM 0 H GLY A 585 -4.519 3.773 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 585 -7.243 4.889 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 585 -5.955 5.734 5.553 1.00 0.00 H new ATOM 303 N LEU A 586 -8.076 3.874 4.305 1.00 0.00 N ATOM 304 CA LEU A 586 -8.627 3.259 3.101 1.00 0.00 C ATOM 305 C LEU A 586 -8.032 3.881 1.838 1.00 0.00 C ATOM 306 O LEU A 586 -7.919 5.102 1.730 1.00 0.00 O ATOM 307 CB LEU A 586 -10.146 3.418 3.091 1.00 0.00 C ATOM 308 CG LEU A 586 -10.865 2.649 1.986 1.00 0.00 C ATOM 309 CD1 LEU A 586 -10.941 1.171 2.329 1.00 0.00 C ATOM 310 CD2 LEU A 586 -12.257 3.219 1.760 1.00 0.00 C ATOM 0 H LEU A 586 -8.776 4.120 5.005 1.00 0.00 H new ATOM 0 HA LEU A 586 -8.368 2.200 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -10.537 3.092 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -10.385 4.477 2.992 1.00 0.00 H new ATOM 0 HG LEU A 586 -10.296 2.758 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -11.457 0.638 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -9.933 0.771 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -11.488 1.042 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -12.755 2.659 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -12.836 3.141 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -12.178 4.266 1.469 1.00 0.00 H new ATOM 322 N LEU A 587 -7.654 3.032 0.886 1.00 0.00 N ATOM 323 CA LEU A 587 -7.072 3.497 -0.370 1.00 0.00 C ATOM 324 C LEU A 587 -8.142 3.628 -1.448 1.00 0.00 C ATOM 325 O LEU A 587 -7.909 3.302 -2.613 1.00 0.00 O ATOM 326 CB LEU A 587 -5.978 2.534 -0.837 1.00 0.00 C ATOM 327 CG LEU A 587 -4.688 2.567 -0.012 1.00 0.00 C ATOM 328 CD1 LEU A 587 -4.607 1.355 0.902 1.00 0.00 C ATOM 329 CD2 LEU A 587 -3.472 2.629 -0.926 1.00 0.00 C ATOM 0 H LEU A 587 -7.740 2.018 0.960 1.00 0.00 H new ATOM 0 HA LEU A 587 -6.632 4.479 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 587 -6.377 1.520 -0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 587 -5.733 2.762 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 587 -4.699 3.464 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -3.684 1.396 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -5.460 1.353 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -4.619 0.445 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -2.564 2.652 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -3.457 1.751 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 587 -3.523 3.529 -1.539 1.00 0.00 H new ATOM 341 N TRP A 588 -9.316 4.106 -1.052 1.00 0.00 N ATOM 342 CA TRP A 588 -10.428 4.283 -1.978 1.00 0.00 C ATOM 343 C TRP A 588 -10.670 5.763 -2.256 1.00 0.00 C ATOM 344 O TRP A 588 -10.549 6.600 -1.362 1.00 0.00 O ATOM 345 CB TRP A 588 -11.695 3.640 -1.406 1.00 0.00 C ATOM 346 CG TRP A 588 -12.350 2.684 -2.350 1.00 0.00 C ATOM 347 CD1 TRP A 588 -13.685 2.556 -2.603 1.00 0.00 C ATOM 348 CD2 TRP A 588 -11.692 1.716 -3.167 1.00 0.00 C ATOM 349 NE1 TRP A 588 -13.894 1.570 -3.536 1.00 0.00 N ATOM 350 CE2 TRP A 588 -12.684 1.038 -3.898 1.00 0.00 C ATOM 351 CE3 TRP A 588 -10.355 1.362 -3.353 1.00 0.00 C ATOM 352 CZ2 TRP A 588 -12.378 0.024 -4.800 1.00 0.00 C ATOM 353 CZ3 TRP A 588 -10.053 0.358 -4.246 1.00 0.00 C ATOM 354 CH2 TRP A 588 -11.059 -0.302 -4.962 1.00 0.00 C ATOM 0 H TRP A 588 -9.523 4.379 -0.091 1.00 0.00 H new ATOM 0 HA TRP A 588 -10.174 3.794 -2.919 1.00 0.00 H new ATOM 0 HB2 TRP A 588 -11.444 3.115 -0.484 1.00 0.00 H new ATOM 0 HB3 TRP A 588 -12.405 4.424 -1.143 1.00 0.00 H new ATOM 0 HD1 TRP A 588 -14.463 3.144 -2.138 1.00 0.00 H new ATOM 0 HE1 TRP A 588 -14.802 1.281 -3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 588 -9.572 1.866 -2.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 588 -13.153 -0.487 -5.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 588 -9.022 0.075 -4.397 1.00 0.00 H new ATOM 0 HH2 TRP A 588 -10.789 -1.084 -5.656 1.00 0.00 H new ATOM 365 N GLY A 589 -11.013 6.079 -3.500 1.00 0.00 N ATOM 366 CA GLY A 589 -11.267 7.459 -3.869 1.00 0.00 C ATOM 367 C GLY A 589 -10.704 7.808 -5.233 1.00 0.00 C ATOM 368 O GLY A 589 -9.575 8.285 -5.342 1.00 0.00 O ATOM 0 H GLY A 589 -11.120 5.405 -4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 589 -12.342 7.641 -3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 589 -10.830 8.119 -3.119 1.00 0.00 H new ATOM 372 N ILE A 590 -11.496 7.570 -6.273 1.00 0.00 N ATOM 373 CA ILE A 590 -11.076 7.861 -7.640 1.00 0.00 C ATOM 374 C ILE A 590 -9.953 6.931 -8.084 1.00 0.00 C ATOM 375 O ILE A 590 -10.149 6.076 -8.947 1.00 0.00 O ATOM 376 CB ILE A 590 -10.612 9.324 -7.791 1.00 0.00 C ATOM 377 CG1 ILE A 590 -11.659 10.278 -7.216 1.00 0.00 C ATOM 378 CG2 ILE A 590 -10.340 9.646 -9.253 1.00 0.00 C ATOM 379 CD1 ILE A 590 -11.078 11.579 -6.705 1.00 0.00 C ATOM 0 H ILE A 590 -12.434 7.176 -6.196 1.00 0.00 H new ATOM 0 HA ILE A 590 -11.947 7.700 -8.276 1.00 0.00 H new ATOM 0 HB ILE A 590 -9.685 9.454 -7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 590 -12.399 10.498 -7.985 1.00 0.00 H new ATOM 0 HG13 ILE A 590 -12.184 9.779 -6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 590 -10.013 10.682 -9.343 1.00 0.00 H new ATOM 0 HG22 ILE A 590 -9.560 8.986 -9.632 1.00 0.00 H new ATOM 0 HG23 ILE A 590 -11.251 9.501 -9.833 1.00 0.00 H new ATOM 0 HD11 ILE A 590 -11.879 12.206 -6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 590 -10.359 11.370 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 590 -10.578 12.100 -7.522 1.00 0.00 H new ATOM 391 N ALA A 591 -8.774 7.102 -7.493 1.00 0.00 N ATOM 392 CA ALA A 591 -7.625 6.274 -7.837 1.00 0.00 C ATOM 393 C ALA A 591 -7.397 5.183 -6.798 1.00 0.00 C ATOM 394 O ALA A 591 -6.633 5.363 -5.848 1.00 0.00 O ATOM 395 CB ALA A 591 -6.376 7.129 -7.985 1.00 0.00 C ATOM 0 H ALA A 591 -8.591 7.804 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 591 -7.837 5.792 -8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 591 -5.528 6.494 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 591 -6.530 7.865 -8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 591 -6.173 7.642 -7.045 1.00 0.00 H new ATOM 401 N ARG A 592 -8.057 4.049 -6.991 1.00 0.00 N ATOM 402 CA ARG A 592 -7.924 2.918 -6.078 1.00 0.00 C ATOM 403 C ARG A 592 -6.473 2.445 -5.992 1.00 0.00 C ATOM 404 O ARG A 592 -6.094 1.751 -5.048 1.00 0.00 O ATOM 405 CB ARG A 592 -8.820 1.762 -6.525 1.00 0.00 C ATOM 406 CG ARG A 592 -8.908 1.591 -8.036 1.00 0.00 C ATOM 407 CD ARG A 592 -8.739 0.137 -8.446 1.00 0.00 C ATOM 408 NE ARG A 592 -9.970 -0.629 -8.275 1.00 0.00 N ATOM 409 CZ ARG A 592 -10.993 -0.592 -9.126 1.00 0.00 C ATOM 410 NH1 ARG A 592 -10.934 0.172 -10.210 1.00 0.00 N ATOM 411 NH2 ARG A 592 -12.075 -1.322 -8.895 1.00 0.00 N ATOM 0 H ARG A 592 -8.692 3.886 -7.773 1.00 0.00 H new ATOM 0 HA ARG A 592 -8.237 3.252 -5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -8.446 0.837 -6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -9.823 1.920 -6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -9.871 1.959 -8.389 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -8.140 2.197 -8.517 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -8.425 0.089 -9.489 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -7.945 -0.317 -7.853 1.00 0.00 H new ATOM 0 HE ARG A 592 -10.051 -1.229 -7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -10.103 0.734 -10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -11.720 0.197 -10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -12.124 -1.913 -8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -12.859 -1.293 -9.547 1.00 0.00 H new ATOM 425 N GLN A 593 -5.670 2.822 -6.986 1.00 0.00 N ATOM 426 CA GLN A 593 -4.257 2.441 -7.041 1.00 0.00 C ATOM 427 C GLN A 593 -3.592 2.517 -5.666 1.00 0.00 C ATOM 428 O GLN A 593 -4.085 3.190 -4.761 1.00 0.00 O ATOM 429 CB GLN A 593 -3.508 3.341 -8.024 1.00 0.00 C ATOM 430 CG GLN A 593 -2.257 2.700 -8.603 1.00 0.00 C ATOM 431 CD GLN A 593 -2.217 2.758 -10.118 1.00 0.00 C ATOM 432 OE1 GLN A 593 -2.405 3.818 -10.715 1.00 0.00 O ATOM 433 NE2 GLN A 593 -1.972 1.615 -10.747 1.00 0.00 N ATOM 0 H GLN A 593 -5.976 3.396 -7.771 1.00 0.00 H new ATOM 0 HA GLN A 593 -4.211 1.406 -7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -4.179 3.611 -8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -3.232 4.266 -7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -1.377 3.202 -8.201 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -2.205 1.660 -8.282 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -1.822 0.760 -10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -1.934 1.592 -11.766 1.00 0.00 H new ATOM 442 N GLY A 594 -2.468 1.818 -5.522 1.00 0.00 N ATOM 443 CA GLY A 594 -1.747 1.813 -4.261 1.00 0.00 C ATOM 444 C GLY A 594 -0.414 1.096 -4.355 1.00 0.00 C ATOM 445 O GLY A 594 0.040 0.754 -5.447 1.00 0.00 O ATOM 0 H GLY A 594 -2.044 1.254 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -1.581 2.841 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -2.360 1.334 -3.498 1.00 0.00 H new ATOM 449 N MET A 595 0.210 0.868 -3.205 1.00 0.00 N ATOM 450 CA MET A 595 1.498 0.186 -3.148 1.00 0.00 C ATOM 451 C MET A 595 1.401 -1.058 -2.273 1.00 0.00 C ATOM 452 O MET A 595 0.687 -1.062 -1.274 1.00 0.00 O ATOM 453 CB MET A 595 2.567 1.130 -2.596 1.00 0.00 C ATOM 454 CG MET A 595 2.914 2.272 -3.537 1.00 0.00 C ATOM 455 SD MET A 595 3.779 1.711 -5.014 1.00 0.00 S ATOM 456 CE MET A 595 5.078 0.720 -4.281 1.00 0.00 C ATOM 0 H MET A 595 -0.157 1.147 -2.295 1.00 0.00 H new ATOM 0 HA MET A 595 1.777 -0.117 -4.157 1.00 0.00 H new ATOM 0 HB2 MET A 595 2.221 1.543 -1.649 1.00 0.00 H new ATOM 0 HB3 MET A 595 3.470 0.558 -2.383 1.00 0.00 H new ATOM 0 HG2 MET A 595 1.999 2.788 -3.830 1.00 0.00 H new ATOM 0 HG3 MET A 595 3.534 2.997 -3.010 1.00 0.00 H new ATOM 0 HE1 MET A 595 5.849 0.522 -5.026 1.00 0.00 H new ATOM 0 HE2 MET A 595 5.516 1.258 -3.440 1.00 0.00 H new ATOM 0 HE3 MET A 595 4.661 -0.224 -3.930 1.00 0.00 H new ATOM 466 N ARG A 596 2.112 -2.117 -2.651 1.00 0.00 N ATOM 467 CA ARG A 596 2.081 -3.356 -1.883 1.00 0.00 C ATOM 468 C ARG A 596 3.427 -4.078 -1.930 1.00 0.00 C ATOM 469 O ARG A 596 4.092 -4.109 -2.965 1.00 0.00 O ATOM 470 CB ARG A 596 0.970 -4.269 -2.416 1.00 0.00 C ATOM 471 CG ARG A 596 1.026 -5.701 -1.898 1.00 0.00 C ATOM 472 CD ARG A 596 0.543 -6.685 -2.950 1.00 0.00 C ATOM 473 NE ARG A 596 0.566 -8.063 -2.463 1.00 0.00 N ATOM 474 CZ ARG A 596 0.569 -9.131 -3.258 1.00 0.00 C ATOM 475 NH1 ARG A 596 0.545 -8.987 -4.577 1.00 0.00 N ATOM 476 NH2 ARG A 596 0.594 -10.348 -2.732 1.00 0.00 N ATOM 0 H ARG A 596 2.711 -2.142 -3.476 1.00 0.00 H new ATOM 0 HA ARG A 596 1.877 -3.105 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 596 0.005 -3.838 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 596 1.023 -4.287 -3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 596 2.048 -5.946 -1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 596 0.411 -5.791 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -0.471 -6.424 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 596 1.170 -6.604 -3.838 1.00 0.00 H new ATOM 0 HE ARG A 596 0.581 -8.215 -1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 596 0.524 -8.054 -4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 596 0.547 -9.810 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 596 0.611 -10.465 -1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 596 0.596 -11.167 -3.340 1.00 0.00 H new ATOM 490 N CYS A 597 3.808 -4.672 -0.801 1.00 0.00 N ATOM 491 CA CYS A 597 5.059 -5.414 -0.710 1.00 0.00 C ATOM 492 C CYS A 597 4.901 -6.793 -1.348 1.00 0.00 C ATOM 493 O CYS A 597 3.849 -7.421 -1.230 1.00 0.00 O ATOM 494 CB CYS A 597 5.483 -5.555 0.755 1.00 0.00 C ATOM 495 SG CYS A 597 7.013 -6.488 1.003 1.00 0.00 S ATOM 0 H CYS A 597 3.266 -4.653 0.063 1.00 0.00 H new ATOM 0 HA CYS A 597 5.832 -4.866 -1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 597 5.605 -4.560 1.183 1.00 0.00 H new ATOM 0 HB3 CYS A 597 4.680 -6.043 1.308 1.00 0.00 H new ATOM 500 N THR A 598 5.946 -7.257 -2.025 1.00 0.00 N ATOM 501 CA THR A 598 5.912 -8.561 -2.680 1.00 0.00 C ATOM 502 C THR A 598 6.582 -9.619 -1.813 1.00 0.00 C ATOM 503 O THR A 598 7.161 -10.579 -2.321 1.00 0.00 O ATOM 504 CB THR A 598 6.599 -8.494 -4.048 1.00 0.00 C ATOM 505 OG1 THR A 598 8.003 -8.645 -3.919 1.00 0.00 O ATOM 506 CG2 THR A 598 6.343 -7.198 -4.788 1.00 0.00 C ATOM 0 H THR A 598 6.825 -6.752 -2.135 1.00 0.00 H new ATOM 0 HA THR A 598 4.868 -8.839 -2.823 1.00 0.00 H new ATOM 0 HB THR A 598 6.166 -9.313 -4.623 1.00 0.00 H new ATOM 0 HG1 THR A 598 8.208 -9.554 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 598 6.859 -7.219 -5.748 1.00 0.00 H new ATOM 0 HG22 THR A 598 5.272 -7.079 -4.954 1.00 0.00 H new ATOM 0 HG23 THR A 598 6.713 -6.361 -4.195 1.00 0.00 H new ATOM 514 N GLU A 599 6.505 -9.433 -0.501 1.00 0.00 N ATOM 515 CA GLU A 599 7.109 -10.368 0.441 1.00 0.00 C ATOM 516 C GLU A 599 6.189 -10.624 1.632 1.00 0.00 C ATOM 517 O GLU A 599 6.075 -11.755 2.105 1.00 0.00 O ATOM 518 CB GLU A 599 8.457 -9.833 0.934 1.00 0.00 C ATOM 519 CG GLU A 599 9.227 -9.051 -0.118 1.00 0.00 C ATOM 520 CD GLU A 599 10.729 -9.153 0.063 1.00 0.00 C ATOM 521 OE1 GLU A 599 11.271 -10.268 -0.088 1.00 0.00 O ATOM 522 OE2 GLU A 599 11.363 -8.117 0.356 1.00 0.00 O ATOM 0 H GLU A 599 6.030 -8.643 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 599 7.266 -11.311 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 599 8.289 -9.192 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 599 9.068 -10.670 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 599 8.958 -9.419 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 599 8.930 -8.003 -0.076 1.00 0.00 H new ATOM 529 N CYS A 600 5.539 -9.569 2.116 1.00 0.00 N ATOM 530 CA CYS A 600 4.636 -9.690 3.254 1.00 0.00 C ATOM 531 C CYS A 600 3.187 -9.466 2.834 1.00 0.00 C ATOM 532 O CYS A 600 2.260 -9.874 3.534 1.00 0.00 O ATOM 533 CB CYS A 600 5.021 -8.691 4.346 1.00 0.00 C ATOM 534 SG CYS A 600 6.799 -8.593 4.662 1.00 0.00 S ATOM 0 H CYS A 600 5.621 -8.625 1.739 1.00 0.00 H new ATOM 0 HA CYS A 600 4.726 -10.703 3.646 1.00 0.00 H new ATOM 0 HB2 CYS A 600 4.658 -7.703 4.064 1.00 0.00 H new ATOM 0 HB3 CYS A 600 4.513 -8.966 5.270 1.00 0.00 H new ATOM 539 N GLY A 601 2.997 -8.813 1.692 1.00 0.00 N ATOM 540 CA GLY A 601 1.656 -8.548 1.209 1.00 0.00 C ATOM 541 C GLY A 601 1.112 -7.217 1.697 1.00 0.00 C ATOM 542 O GLY A 601 0.015 -6.811 1.310 1.00 0.00 O ATOM 0 H GLY A 601 3.746 -8.464 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 601 1.658 -8.558 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 601 0.992 -9.349 1.534 1.00 0.00 H new ATOM 546 N VAL A 602 1.878 -6.534 2.547 1.00 0.00 N ATOM 547 CA VAL A 602 1.460 -5.243 3.081 1.00 0.00 C ATOM 548 C VAL A 602 1.114 -4.275 1.956 1.00 0.00 C ATOM 549 O VAL A 602 1.735 -4.300 0.896 1.00 0.00 O ATOM 550 CB VAL A 602 2.559 -4.617 3.965 1.00 0.00 C ATOM 551 CG1 VAL A 602 3.817 -4.329 3.152 1.00 0.00 C ATOM 552 CG2 VAL A 602 2.049 -3.349 4.632 1.00 0.00 C ATOM 0 H VAL A 602 2.788 -6.854 2.878 1.00 0.00 H new ATOM 0 HA VAL A 602 0.574 -5.422 3.691 1.00 0.00 H new ATOM 0 HB VAL A 602 2.819 -5.336 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 602 4.575 -3.888 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 602 4.197 -5.259 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.579 -3.634 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.837 -2.921 5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 602 1.757 -2.628 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 602 1.187 -3.587 5.255 1.00 0.00 H new ATOM 562 N LYS A 603 0.120 -3.425 2.190 1.00 0.00 N ATOM 563 CA LYS A 603 -0.298 -2.453 1.188 1.00 0.00 C ATOM 564 C LYS A 603 -0.352 -1.052 1.784 1.00 0.00 C ATOM 565 O LYS A 603 -0.748 -0.869 2.935 1.00 0.00 O ATOM 566 CB LYS A 603 -1.663 -2.826 0.606 1.00 0.00 C ATOM 567 CG LYS A 603 -1.856 -4.322 0.423 1.00 0.00 C ATOM 568 CD LYS A 603 -2.202 -4.679 -1.014 1.00 0.00 C ATOM 569 CE LYS A 603 -3.410 -5.601 -1.083 1.00 0.00 C ATOM 570 NZ LYS A 603 -3.116 -6.945 -0.516 1.00 0.00 N ATOM 0 H LYS A 603 -0.409 -3.390 3.061 1.00 0.00 H new ATOM 0 HA LYS A 603 0.439 -2.463 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 603 -2.445 -2.444 1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 603 -1.786 -2.331 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 603 -0.945 -4.844 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 603 -2.650 -4.669 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 603 -2.405 -3.768 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 603 -1.347 -5.162 -1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 603 -4.241 -5.152 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 603 -3.727 -5.706 -2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 -3.964 -7.543 -0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 -2.340 -7.385 -1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 -2.838 -6.848 0.481 1.00 0.00 H new ATOM 584 N CYS A 604 0.055 -0.067 0.994 1.00 0.00 N ATOM 585 CA CYS A 604 0.061 1.322 1.442 1.00 0.00 C ATOM 586 C CYS A 604 -0.200 2.273 0.280 1.00 0.00 C ATOM 587 O CYS A 604 -0.334 1.847 -0.867 1.00 0.00 O ATOM 588 CB CYS A 604 1.400 1.659 2.101 1.00 0.00 C ATOM 589 SG CYS A 604 2.838 1.024 1.209 1.00 0.00 S ATOM 0 H CYS A 604 0.386 -0.203 0.039 1.00 0.00 H new ATOM 0 HA CYS A 604 -0.739 1.445 2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 604 1.488 2.742 2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 604 1.406 1.256 3.114 1.00 0.00 H new ATOM 0 HG CYS A 604 3.130 -0.164 1.647 1.00 0.00 H new ATOM 595 N HIS A 605 -0.256 3.566 0.583 1.00 0.00 N ATOM 596 CA HIS A 605 -0.486 4.579 -0.435 1.00 0.00 C ATOM 597 C HIS A 605 0.791 4.822 -1.238 1.00 0.00 C ATOM 598 O HIS A 605 1.824 4.207 -0.975 1.00 0.00 O ATOM 599 CB HIS A 605 -0.967 5.882 0.209 1.00 0.00 C ATOM 600 CG HIS A 605 -2.379 5.819 0.710 1.00 0.00 C ATOM 601 ND1 HIS A 605 -2.706 5.752 2.049 1.00 0.00 N ATOM 602 CD2 HIS A 605 -3.559 5.811 0.041 1.00 0.00 C ATOM 603 CE1 HIS A 605 -4.018 5.704 2.182 1.00 0.00 C ATOM 604 NE2 HIS A 605 -4.559 5.740 0.980 1.00 0.00 N ATOM 0 H HIS A 605 -0.145 3.935 1.527 1.00 0.00 H new ATOM 0 HA HIS A 605 -1.261 4.222 -1.113 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.307 6.132 1.039 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.884 6.689 -0.519 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -3.688 5.853 -1.030 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -4.557 5.645 3.116 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.559 5.719 0.780 1.00 0.00 H new ATOM 612 N GLU A 606 0.711 5.710 -2.223 1.00 0.00 N ATOM 613 CA GLU A 606 1.862 6.018 -3.067 1.00 0.00 C ATOM 614 C GLU A 606 2.967 6.719 -2.279 1.00 0.00 C ATOM 615 O GLU A 606 4.152 6.490 -2.524 1.00 0.00 O ATOM 616 CB GLU A 606 1.432 6.892 -4.246 1.00 0.00 C ATOM 617 CG GLU A 606 2.236 6.645 -5.512 1.00 0.00 C ATOM 618 CD GLU A 606 1.664 7.366 -6.715 1.00 0.00 C ATOM 619 OE1 GLU A 606 1.654 8.615 -6.710 1.00 0.00 O ATOM 620 OE2 GLU A 606 1.223 6.683 -7.663 1.00 0.00 O ATOM 0 H GLU A 606 -0.136 6.228 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 606 2.261 5.074 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 606 0.377 6.713 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 606 1.527 7.941 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 606 3.265 6.969 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 606 2.267 5.575 -5.715 1.00 0.00 H new ATOM 627 N LYS A 607 2.579 7.579 -1.343 1.00 0.00 N ATOM 628 CA LYS A 607 3.549 8.316 -0.536 1.00 0.00 C ATOM 629 C LYS A 607 3.903 7.557 0.741 1.00 0.00 C ATOM 630 O LYS A 607 5.039 7.614 1.215 1.00 0.00 O ATOM 631 CB LYS A 607 3.004 9.701 -0.182 1.00 0.00 C ATOM 632 CG LYS A 607 1.609 9.672 0.427 1.00 0.00 C ATOM 633 CD LYS A 607 1.574 10.360 1.782 1.00 0.00 C ATOM 634 CE LYS A 607 0.148 10.591 2.255 1.00 0.00 C ATOM 635 NZ LYS A 607 -0.581 11.547 1.375 1.00 0.00 N ATOM 0 H LYS A 607 1.604 7.783 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 607 4.457 8.427 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 607 3.687 10.182 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 607 2.985 10.315 -1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 607 0.907 10.161 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 607 1.280 8.638 0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 607 2.107 9.752 2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 607 2.097 11.315 1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 607 -0.385 9.641 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 607 0.161 10.975 3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -1.397 11.938 1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 0.057 12.320 1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -0.913 11.051 0.524 1.00 0.00 H new ATOM 649 N CYS A 608 2.925 6.853 1.298 1.00 0.00 N ATOM 650 CA CYS A 608 3.138 6.095 2.524 1.00 0.00 C ATOM 651 C CYS A 608 4.147 4.968 2.317 1.00 0.00 C ATOM 652 O CYS A 608 4.756 4.491 3.274 1.00 0.00 O ATOM 653 CB CYS A 608 1.812 5.530 3.032 1.00 0.00 C ATOM 654 SG CYS A 608 0.809 6.731 3.938 1.00 0.00 S ATOM 0 H CYS A 608 1.979 6.791 0.921 1.00 0.00 H new ATOM 0 HA CYS A 608 3.547 6.776 3.271 1.00 0.00 H new ATOM 0 HB2 CYS A 608 1.238 5.157 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 608 2.015 4.677 3.680 1.00 0.00 H new ATOM 659 N GLN A 609 4.328 4.549 1.067 1.00 0.00 N ATOM 660 CA GLN A 609 5.274 3.483 0.755 1.00 0.00 C ATOM 661 C GLN A 609 6.669 3.836 1.262 1.00 0.00 C ATOM 662 O GLN A 609 7.407 2.973 1.739 1.00 0.00 O ATOM 663 CB GLN A 609 5.309 3.218 -0.754 1.00 0.00 C ATOM 664 CG GLN A 609 6.077 4.265 -1.547 1.00 0.00 C ATOM 665 CD GLN A 609 6.136 3.948 -3.029 1.00 0.00 C ATOM 666 OE1 GLN A 609 7.035 3.244 -3.490 1.00 0.00 O ATOM 667 NE2 GLN A 609 5.176 4.468 -3.783 1.00 0.00 N ATOM 0 H GLN A 609 3.835 4.929 0.259 1.00 0.00 H new ATOM 0 HA GLN A 609 4.942 2.576 1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 609 5.758 2.241 -0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 609 4.286 3.171 -1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 609 5.607 5.239 -1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 609 7.091 4.340 -1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 609 4.451 5.046 -3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 609 5.163 4.290 -4.787 1.00 0.00 H new ATOM 676 N ASP A 610 7.018 5.115 1.159 1.00 0.00 N ATOM 677 CA ASP A 610 8.319 5.589 1.613 1.00 0.00 C ATOM 678 C ASP A 610 8.300 5.839 3.117 1.00 0.00 C ATOM 679 O ASP A 610 9.293 5.609 3.808 1.00 0.00 O ATOM 680 CB ASP A 610 8.705 6.872 0.871 1.00 0.00 C ATOM 681 CG ASP A 610 10.010 6.730 0.111 1.00 0.00 C ATOM 682 OD1 ASP A 610 11.073 7.018 0.698 1.00 0.00 O ATOM 683 OD2 ASP A 610 9.967 6.329 -1.071 1.00 0.00 O ATOM 0 H ASP A 610 6.418 5.840 0.766 1.00 0.00 H new ATOM 0 HA ASP A 610 9.061 4.821 1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 610 7.910 7.139 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.791 7.690 1.586 1.00 0.00 H new ATOM 688 N LEU A 611 7.163 6.312 3.617 1.00 0.00 N ATOM 689 CA LEU A 611 7.012 6.592 5.041 1.00 0.00 C ATOM 690 C LEU A 611 6.997 5.300 5.853 1.00 0.00 C ATOM 691 O LEU A 611 7.469 5.263 6.988 1.00 0.00 O ATOM 692 CB LEU A 611 5.727 7.382 5.295 1.00 0.00 C ATOM 693 CG LEU A 611 5.736 8.817 4.771 1.00 0.00 C ATOM 694 CD1 LEU A 611 4.317 9.342 4.625 1.00 0.00 C ATOM 695 CD2 LEU A 611 6.547 9.716 5.692 1.00 0.00 C ATOM 0 H LEU A 611 6.333 6.509 3.058 1.00 0.00 H new ATOM 0 HA LEU A 611 7.866 7.190 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 611 4.894 6.849 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 611 5.538 7.404 6.368 1.00 0.00 H new ATOM 0 HG LEU A 611 6.205 8.820 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 611 4.344 10.365 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 611 3.767 8.714 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 611 3.821 9.324 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 611 6.542 10.734 5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 611 6.107 9.706 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 611 7.573 9.352 5.744 1.00 0.00 H new ATOM 707 N LEU A 612 6.449 4.242 5.262 1.00 0.00 N ATOM 708 CA LEU A 612 6.369 2.948 5.931 1.00 0.00 C ATOM 709 C LEU A 612 7.761 2.427 6.276 1.00 0.00 C ATOM 710 O LEU A 612 8.687 2.518 5.471 1.00 0.00 O ATOM 711 CB LEU A 612 5.639 1.936 5.045 1.00 0.00 C ATOM 712 CG LEU A 612 4.784 0.914 5.797 1.00 0.00 C ATOM 713 CD1 LEU A 612 3.554 0.541 4.983 1.00 0.00 C ATOM 714 CD2 LEU A 612 5.605 -0.325 6.129 1.00 0.00 C ATOM 0 H LEU A 612 6.054 4.256 4.322 1.00 0.00 H new ATOM 0 HA LEU A 612 5.810 3.080 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 612 5.000 2.480 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 612 6.377 1.400 4.448 1.00 0.00 H new ATOM 0 HG LEU A 612 4.450 1.365 6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 612 2.959 -0.187 5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 612 2.956 1.433 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 612 3.865 0.109 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 612 4.982 -1.042 6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 612 5.969 -0.778 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 612 6.452 -0.043 6.754 1.00 0.00 H new ATOM 726 N ASN A 613 7.899 1.877 7.479 1.00 0.00 N ATOM 727 CA ASN A 613 9.177 1.338 7.931 1.00 0.00 C ATOM 728 C ASN A 613 9.564 0.109 7.117 1.00 0.00 C ATOM 729 O ASN A 613 8.853 -0.285 6.193 1.00 0.00 O ATOM 730 CB ASN A 613 9.105 0.980 9.417 1.00 0.00 C ATOM 731 CG ASN A 613 10.354 1.389 10.172 1.00 0.00 C ATOM 732 OD1 ASN A 613 11.297 0.608 10.304 1.00 0.00 O ATOM 733 ND2 ASN A 613 10.368 2.618 10.674 1.00 0.00 N ATOM 0 H ASN A 613 7.142 1.793 8.158 1.00 0.00 H new ATOM 0 HA ASN A 613 9.940 2.103 7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 613 8.238 1.467 9.864 1.00 0.00 H new ATOM 0 HB3 ASN A 613 8.956 -0.095 9.522 1.00 0.00 H new ATOM 0 HD21 ASN A 613 11.182 2.948 11.193 1.00 0.00 H new ATOM 0 HD22 ASN A 613 9.565 3.232 10.541 1.00 0.00 H new ATOM 740 N ALA A 614 10.697 -0.494 7.465 1.00 0.00 N ATOM 741 CA ALA A 614 11.177 -1.680 6.765 1.00 0.00 C ATOM 742 C ALA A 614 11.454 -2.818 7.741 1.00 0.00 C ATOM 743 O ALA A 614 11.965 -2.597 8.839 1.00 0.00 O ATOM 744 CB ALA A 614 12.428 -1.350 5.966 1.00 0.00 C ATOM 0 H ALA A 614 11.299 -0.181 8.227 1.00 0.00 H new ATOM 0 HA ALA A 614 10.397 -2.008 6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 614 12.776 -2.244 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 614 12.199 -0.574 5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 614 13.207 -0.995 6.640 1.00 0.00 H new ATOM 750 N ASP A 615 11.115 -4.036 7.333 1.00 0.00 N ATOM 751 CA ASP A 615 11.326 -5.210 8.171 1.00 0.00 C ATOM 752 C ASP A 615 11.195 -6.493 7.355 1.00 0.00 C ATOM 753 O ASP A 615 10.423 -7.387 7.701 1.00 0.00 O ATOM 754 CB ASP A 615 10.327 -5.221 9.330 1.00 0.00 C ATOM 755 CG ASP A 615 10.596 -6.342 10.315 1.00 0.00 C ATOM 756 OD1 ASP A 615 11.705 -6.375 10.889 1.00 0.00 O ATOM 757 OD2 ASP A 615 9.697 -7.186 10.513 1.00 0.00 O ATOM 0 H ASP A 615 10.693 -4.236 6.426 1.00 0.00 H new ATOM 0 HA ASP A 615 12.338 -5.161 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 615 10.369 -4.265 9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 615 9.317 -5.324 8.934 1.00 0.00 H new ATOM 762 N CYS A 616 11.957 -6.577 6.268 1.00 0.00 N ATOM 763 CA CYS A 616 11.927 -7.750 5.402 1.00 0.00 C ATOM 764 C CYS A 616 13.221 -8.548 5.524 1.00 0.00 C ATOM 765 O CYS A 616 14.204 -8.001 6.068 1.00 0.00 O ATOM 766 CB CYS A 616 11.704 -7.329 3.947 1.00 0.00 C ATOM 767 SG CYS A 616 10.148 -7.918 3.239 1.00 0.00 S ATOM 0 H CYS A 616 12.602 -5.847 5.967 1.00 0.00 H new ATOM 0 HA CYS A 616 11.100 -8.386 5.718 1.00 0.00 H new ATOM 0 HB2 CYS A 616 11.729 -6.241 3.887 1.00 0.00 H new ATOM 0 HB3 CYS A 616 12.530 -7.701 3.341 1.00 0.00 H new TER 772 CYS A 616 HETATM 773 ZN ZN A 701 7.795 -7.105 3.162 1.00 0.00 ZN HETATM 774 ZN ZN A 702 -1.247 5.708 3.813 1.00 0.00 ZN