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 568 ASN : amide:sc= 0.258 K(o=0.79,f=-0.19) USER MOD Set 1.2: A 598 THR OG1 : rot 69:sc= 0.536 USER MOD Single : A 566 GLN : amide:sc= -0.0675 X(o=-0.067,f=-0.55) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 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 68:sc= 0.413 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 :FLIP amide:sc= -0.0397 F(o=-0.7,f=-0.04) USER MOD Single : A 595 MET CE :methyl -173:sc= -8.72! (180deg=-10!) USER MOD Single : A 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 604 CYS SG : rot 80:sc= -3.99 USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= -0.0302 K(o=-0.03,f=-2.9!) USER MOD Single : A 613 ASN : amide:sc= -0.513 K(o=-0.51,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 566 14.210 -4.017 3.092 1.00 0.00 N ATOM 2 CA GLN A 566 13.004 -3.170 2.897 1.00 0.00 C ATOM 3 C GLN A 566 11.929 -3.916 2.113 1.00 0.00 C ATOM 4 O GLN A 566 12.225 -4.846 1.364 1.00 0.00 O ATOM 5 CB GLN A 566 13.416 -1.899 2.151 1.00 0.00 C ATOM 6 CG GLN A 566 12.539 -0.698 2.469 1.00 0.00 C ATOM 7 CD GLN A 566 12.053 0.018 1.223 1.00 0.00 C ATOM 8 OE1 GLN A 566 12.758 0.082 0.216 1.00 0.00 O ATOM 9 NE2 GLN A 566 10.844 0.561 1.287 1.00 0.00 N ATOM 0 HA GLN A 566 12.584 -2.915 3.870 1.00 0.00 H new ATOM 0 HB2 GLN A 566 14.450 -1.660 2.400 1.00 0.00 H new ATOM 0 HB3 GLN A 566 13.382 -2.090 1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 566 11.679 -1.026 3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 566 13.099 0.001 3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 566 10.295 0.483 2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 566 10.464 1.056 0.480 1.00 0.00 H new ATOM 18 N HIS A 567 10.680 -3.501 2.294 1.00 0.00 N ATOM 19 CA HIS A 567 9.557 -4.130 1.606 1.00 0.00 C ATOM 20 C HIS A 567 9.616 -3.865 0.106 1.00 0.00 C ATOM 21 O HIS A 567 9.782 -2.725 -0.329 1.00 0.00 O ATOM 22 CB HIS A 567 8.233 -3.613 2.173 1.00 0.00 C ATOM 23 CG HIS A 567 8.069 -3.882 3.635 1.00 0.00 C ATOM 24 ND1 HIS A 567 7.736 -5.120 4.141 1.00 0.00 N ATOM 25 CD2 HIS A 567 8.198 -3.064 4.707 1.00 0.00 C ATOM 26 CE1 HIS A 567 7.664 -5.052 5.458 1.00 0.00 C ATOM 27 NE2 HIS A 567 7.943 -3.816 5.826 1.00 0.00 N ATOM 0 H HIS A 567 10.419 -2.732 2.911 1.00 0.00 H new ATOM 0 HA HIS A 567 9.622 -5.206 1.768 1.00 0.00 H new ATOM 0 HB2 HIS A 567 8.166 -2.539 1.999 1.00 0.00 H new ATOM 0 HB3 HIS A 567 7.408 -4.076 1.631 1.00 0.00 H new ATOM 0 HD2 HIS A 567 8.454 -2.015 4.685 1.00 0.00 H new ATOM 0 HE1 HIS A 567 7.419 -5.869 6.121 1.00 0.00 H new ATOM 0 HE2 HIS A 567 7.965 -3.475 6.787 1.00 0.00 H new ATOM 35 N ASN A 568 9.468 -4.924 -0.682 1.00 0.00 N ATOM 36 CA ASN A 568 9.490 -4.806 -2.134 1.00 0.00 C ATOM 37 C ASN A 568 8.178 -4.208 -2.626 1.00 0.00 C ATOM 38 O ASN A 568 7.402 -4.861 -3.324 1.00 0.00 O ATOM 39 CB ASN A 568 9.723 -6.174 -2.779 1.00 0.00 C ATOM 40 CG ASN A 568 10.588 -6.089 -4.021 1.00 0.00 C ATOM 41 OD1 ASN A 568 11.705 -5.574 -3.979 1.00 0.00 O ATOM 42 ND2 ASN A 568 10.075 -6.594 -5.137 1.00 0.00 N ATOM 0 H ASN A 568 9.331 -5.875 -0.339 1.00 0.00 H new ATOM 0 HA ASN A 568 10.310 -4.147 -2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 568 10.196 -6.838 -2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 568 8.762 -6.618 -3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 568 10.611 -6.564 -6.004 1.00 0.00 H new ATOM 0 HD22 ASN A 568 9.145 -7.012 -5.127 1.00 0.00 H new ATOM 49 N PHE A 569 7.932 -2.964 -2.236 1.00 0.00 N ATOM 50 CA PHE A 569 6.711 -2.269 -2.609 1.00 0.00 C ATOM 51 C PHE A 569 6.591 -2.114 -4.119 1.00 0.00 C ATOM 52 O PHE A 569 7.487 -1.587 -4.778 1.00 0.00 O ATOM 53 CB PHE A 569 6.664 -0.900 -1.933 1.00 0.00 C ATOM 54 CG PHE A 569 6.375 -0.980 -0.463 1.00 0.00 C ATOM 55 CD1 PHE A 569 5.296 -1.712 -0.002 1.00 0.00 C ATOM 56 CD2 PHE A 569 7.184 -0.329 0.453 1.00 0.00 C ATOM 57 CE1 PHE A 569 5.026 -1.795 1.351 1.00 0.00 C ATOM 58 CE2 PHE A 569 6.920 -0.406 1.806 1.00 0.00 C ATOM 59 CZ PHE A 569 5.840 -1.140 2.257 1.00 0.00 C ATOM 0 H PHE A 569 8.568 -2.414 -1.658 1.00 0.00 H new ATOM 0 HA PHE A 569 5.867 -2.870 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 569 7.618 -0.394 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 569 5.900 -0.289 -2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 569 4.658 -2.224 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 569 8.030 0.245 0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 569 4.181 -2.370 1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 569 7.557 0.107 2.511 1.00 0.00 H new ATOM 0 HZ PHE A 569 5.632 -1.202 3.315 1.00 0.00 H new ATOM 69 N GLU A 570 5.467 -2.574 -4.656 1.00 0.00 N ATOM 70 CA GLU A 570 5.202 -2.487 -6.085 1.00 0.00 C ATOM 71 C GLU A 570 3.840 -1.851 -6.330 1.00 0.00 C ATOM 72 O GLU A 570 2.952 -1.922 -5.479 1.00 0.00 O ATOM 73 CB GLU A 570 5.255 -3.877 -6.722 1.00 0.00 C ATOM 74 CG GLU A 570 6.594 -4.572 -6.546 1.00 0.00 C ATOM 75 CD GLU A 570 7.648 -4.063 -7.510 1.00 0.00 C ATOM 76 OE1 GLU A 570 7.436 -4.177 -8.735 1.00 0.00 O ATOM 77 OE2 GLU A 570 8.685 -3.549 -7.040 1.00 0.00 O ATOM 0 H GLU A 570 4.720 -3.014 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 570 5.970 -1.863 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 570 4.472 -4.498 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 570 5.037 -3.789 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 570 6.942 -4.427 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 570 6.464 -5.645 -6.689 1.00 0.00 H new ATOM 84 N VAL A 571 3.677 -1.226 -7.488 1.00 0.00 N ATOM 85 CA VAL A 571 2.419 -0.577 -7.826 1.00 0.00 C ATOM 86 C VAL A 571 1.280 -1.587 -7.893 1.00 0.00 C ATOM 87 O VAL A 571 1.173 -2.357 -8.847 1.00 0.00 O ATOM 88 CB VAL A 571 2.513 0.171 -9.169 1.00 0.00 C ATOM 89 CG1 VAL A 571 1.245 0.973 -9.427 1.00 0.00 C ATOM 90 CG2 VAL A 571 3.738 1.074 -9.194 1.00 0.00 C ATOM 0 H VAL A 571 4.398 -1.155 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 571 2.213 0.144 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 571 2.616 -0.566 -9.966 1.00 0.00 H new ATOM 0 HG11 VAL A 571 1.332 1.494 -10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 571 0.389 0.300 -9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 571 1.106 1.701 -8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 571 3.787 1.594 -10.151 1.00 0.00 H new ATOM 0 HG22 VAL A 571 3.668 1.804 -8.387 1.00 0.00 H new ATOM 0 HG23 VAL A 571 4.637 0.472 -9.062 1.00 0.00 H new ATOM 100 N TRP A 572 0.428 -1.573 -6.874 1.00 0.00 N ATOM 101 CA TRP A 572 -0.710 -2.480 -6.810 1.00 0.00 C ATOM 102 C TRP A 572 -2.009 -1.693 -6.665 1.00 0.00 C ATOM 103 O TRP A 572 -2.107 -0.790 -5.836 1.00 0.00 O ATOM 104 CB TRP A 572 -0.546 -3.462 -5.639 1.00 0.00 C ATOM 105 CG TRP A 572 -1.845 -3.890 -5.016 1.00 0.00 C ATOM 106 CD1 TRP A 572 -2.588 -4.989 -5.340 1.00 0.00 C ATOM 107 CD2 TRP A 572 -2.554 -3.218 -3.970 1.00 0.00 C ATOM 108 NE1 TRP A 572 -3.716 -5.042 -4.555 1.00 0.00 N ATOM 109 CE2 TRP A 572 -3.718 -3.966 -3.707 1.00 0.00 C ATOM 110 CE3 TRP A 572 -2.318 -2.058 -3.227 1.00 0.00 C ATOM 111 CZ2 TRP A 572 -4.641 -3.588 -2.732 1.00 0.00 C ATOM 112 CZ3 TRP A 572 -3.236 -1.686 -2.263 1.00 0.00 C ATOM 113 CH2 TRP A 572 -4.384 -2.450 -2.024 1.00 0.00 C ATOM 0 H TRP A 572 0.505 -0.940 -6.078 1.00 0.00 H new ATOM 0 HA TRP A 572 -0.752 -3.050 -7.738 1.00 0.00 H new ATOM 0 HB2 TRP A 572 -0.015 -4.346 -5.991 1.00 0.00 H new ATOM 0 HB3 TRP A 572 0.077 -2.999 -4.874 1.00 0.00 H new ATOM 0 HD1 TRP A 572 -2.328 -5.710 -6.101 1.00 0.00 H new ATOM 0 HE1 TRP A 572 -4.434 -5.765 -4.597 1.00 0.00 H new ATOM 0 HE3 TRP A 572 -1.434 -1.463 -3.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 572 -5.528 -4.175 -2.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 572 -3.064 -0.790 -1.684 1.00 0.00 H new ATOM 0 HH2 TRP A 572 -5.081 -2.132 -1.263 1.00 0.00 H new ATOM 124 N THR A 573 -3.007 -2.048 -7.467 1.00 0.00 N ATOM 125 CA THR A 573 -4.296 -1.375 -7.412 1.00 0.00 C ATOM 126 C THR A 573 -5.296 -2.195 -6.608 1.00 0.00 C ATOM 127 O THR A 573 -5.632 -3.320 -6.978 1.00 0.00 O ATOM 128 CB THR A 573 -4.837 -1.123 -8.819 1.00 0.00 C ATOM 129 OG1 THR A 573 -3.829 -0.585 -9.656 1.00 0.00 O ATOM 130 CG2 THR A 573 -6.012 -0.169 -8.841 1.00 0.00 C ATOM 0 H THR A 573 -2.947 -2.795 -8.159 1.00 0.00 H new ATOM 0 HA THR A 573 -4.153 -0.414 -6.917 1.00 0.00 H new ATOM 0 HB THR A 573 -5.170 -2.096 -9.182 1.00 0.00 H new ATOM 0 HG1 THR A 573 -4.195 -0.433 -10.552 1.00 0.00 H new ATOM 0 HG21 THR A 573 -6.350 -0.032 -9.868 1.00 0.00 H new ATOM 0 HG22 THR A 573 -6.826 -0.580 -8.243 1.00 0.00 H new ATOM 0 HG23 THR A 573 -5.708 0.792 -8.427 1.00 0.00 H new ATOM 138 N ALA A 574 -5.762 -1.625 -5.504 1.00 0.00 N ATOM 139 CA ALA A 574 -6.720 -2.303 -4.643 1.00 0.00 C ATOM 140 C ALA A 574 -8.055 -2.504 -5.350 1.00 0.00 C ATOM 141 O ALA A 574 -8.724 -1.540 -5.719 1.00 0.00 O ATOM 142 CB ALA A 574 -6.913 -1.519 -3.352 1.00 0.00 C ATOM 0 H ALA A 574 -5.492 -0.695 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 574 -6.320 -3.288 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 574 -7.632 -2.036 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 574 -5.960 -1.437 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 574 -7.286 -0.522 -3.584 1.00 0.00 H new ATOM 148 N THR A 575 -8.445 -3.761 -5.525 1.00 0.00 N ATOM 149 CA THR A 575 -9.710 -4.078 -6.174 1.00 0.00 C ATOM 150 C THR A 575 -10.866 -3.852 -5.205 1.00 0.00 C ATOM 151 O THR A 575 -11.992 -3.570 -5.612 1.00 0.00 O ATOM 152 CB THR A 575 -9.710 -5.525 -6.671 1.00 0.00 C ATOM 153 OG1 THR A 575 -9.397 -6.419 -5.617 1.00 0.00 O ATOM 154 CG2 THR A 575 -8.722 -5.766 -7.792 1.00 0.00 C ATOM 0 H THR A 575 -7.906 -4.574 -5.228 1.00 0.00 H new ATOM 0 HA THR A 575 -9.836 -3.419 -7.033 1.00 0.00 H new ATOM 0 HB THR A 575 -10.717 -5.704 -7.049 1.00 0.00 H new ATOM 0 HG1 THR A 575 -9.404 -7.339 -5.955 1.00 0.00 H new ATOM 0 HG21 THR A 575 -8.770 -6.810 -8.101 1.00 0.00 H new ATOM 0 HG22 THR A 575 -8.969 -5.126 -8.639 1.00 0.00 H new ATOM 0 HG23 THR A 575 -7.715 -5.536 -7.445 1.00 0.00 H new ATOM 162 N THR A 576 -10.565 -3.967 -3.915 1.00 0.00 N ATOM 163 CA THR A 576 -11.555 -3.764 -2.867 1.00 0.00 C ATOM 164 C THR A 576 -10.993 -2.837 -1.794 1.00 0.00 C ATOM 165 O THR A 576 -9.776 -2.701 -1.662 1.00 0.00 O ATOM 166 CB THR A 576 -11.954 -5.105 -2.245 1.00 0.00 C ATOM 167 OG1 THR A 576 -10.814 -5.779 -1.739 1.00 0.00 O ATOM 168 CG2 THR A 576 -12.642 -6.037 -3.219 1.00 0.00 C ATOM 0 H THR A 576 -9.634 -4.202 -3.570 1.00 0.00 H new ATOM 0 HA THR A 576 -12.441 -3.306 -3.306 1.00 0.00 H new ATOM 0 HB THR A 576 -12.656 -4.857 -1.448 1.00 0.00 H new ATOM 0 HG1 THR A 576 -11.088 -6.633 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 576 -12.897 -6.968 -2.713 1.00 0.00 H new ATOM 0 HG22 THR A 576 -13.551 -5.566 -3.593 1.00 0.00 H new ATOM 0 HG23 THR A 576 -11.974 -6.249 -4.054 1.00 0.00 H new ATOM 176 N PRO A 577 -11.863 -2.180 -1.009 1.00 0.00 N ATOM 177 CA PRO A 577 -11.436 -1.265 0.050 1.00 0.00 C ATOM 178 C PRO A 577 -10.312 -1.852 0.901 1.00 0.00 C ATOM 179 O PRO A 577 -10.519 -2.809 1.645 1.00 0.00 O ATOM 180 CB PRO A 577 -12.704 -1.059 0.896 1.00 0.00 C ATOM 181 CG PRO A 577 -13.733 -1.991 0.335 1.00 0.00 C ATOM 182 CD PRO A 577 -13.323 -2.272 -1.082 1.00 0.00 C ATOM 0 HA PRO A 577 -11.033 -0.337 -0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -12.512 -1.278 1.946 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -13.044 -0.025 0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -13.780 -2.912 0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -14.725 -1.541 0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -13.652 -3.257 -1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -13.742 -1.545 -1.778 1.00 0.00 H new ATOM 190 N THR A 578 -9.121 -1.270 0.781 1.00 0.00 N ATOM 191 CA THR A 578 -7.961 -1.736 1.536 1.00 0.00 C ATOM 192 C THR A 578 -7.301 -0.580 2.289 1.00 0.00 C ATOM 193 O THR A 578 -7.053 0.484 1.723 1.00 0.00 O ATOM 194 CB THR A 578 -6.955 -2.415 0.596 1.00 0.00 C ATOM 195 OG1 THR A 578 -7.491 -3.622 0.081 1.00 0.00 O ATOM 196 CG2 THR A 578 -5.635 -2.750 1.261 1.00 0.00 C ATOM 0 H THR A 578 -8.934 -0.476 0.169 1.00 0.00 H new ATOM 0 HA THR A 578 -8.299 -2.466 2.271 1.00 0.00 H new ATOM 0 HB THR A 578 -6.768 -1.690 -0.196 1.00 0.00 H new ATOM 0 HG1 THR A 578 -8.241 -3.418 -0.517 1.00 0.00 H new ATOM 0 HG21 THR A 578 -4.974 -3.227 0.538 1.00 0.00 H new ATOM 0 HG22 THR A 578 -5.170 -1.835 1.629 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.810 -3.429 2.096 1.00 0.00 H new ATOM 204 N TYR A 579 -7.024 -0.804 3.572 1.00 0.00 N ATOM 205 CA TYR A 579 -6.398 0.210 4.419 1.00 0.00 C ATOM 206 C TYR A 579 -4.881 0.215 4.243 1.00 0.00 C ATOM 207 O TYR A 579 -4.290 -0.789 3.847 1.00 0.00 O ATOM 208 CB TYR A 579 -6.750 -0.047 5.885 1.00 0.00 C ATOM 209 CG TYR A 579 -8.238 -0.086 6.144 1.00 0.00 C ATOM 210 CD1 TYR A 579 -9.061 0.932 5.687 1.00 0.00 C ATOM 211 CD2 TYR A 579 -8.820 -1.142 6.835 1.00 0.00 C ATOM 212 CE1 TYR A 579 -10.422 0.905 5.910 1.00 0.00 C ATOM 213 CE2 TYR A 579 -10.182 -1.177 7.065 1.00 0.00 C ATOM 214 CZ TYR A 579 -10.979 -0.151 6.600 1.00 0.00 C ATOM 215 OH TYR A 579 -12.336 -0.183 6.824 1.00 0.00 O ATOM 0 H TYR A 579 -7.224 -1.683 4.050 1.00 0.00 H new ATOM 0 HA TYR A 579 -6.779 1.186 4.119 1.00 0.00 H new ATOM 0 HB2 TYR A 579 -6.309 -0.994 6.197 1.00 0.00 H new ATOM 0 HB3 TYR A 579 -6.301 0.732 6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 579 -8.629 1.761 5.147 1.00 0.00 H new ATOM 0 HD2 TYR A 579 -8.198 -1.947 7.198 1.00 0.00 H new ATOM 0 HE1 TYR A 579 -11.048 1.706 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 579 -10.620 -2.003 7.606 1.00 0.00 H new ATOM 0 HH TYR A 579 -12.566 -0.995 7.323 1.00 0.00 H new ATOM 225 N CYS A 580 -4.260 1.350 4.545 1.00 0.00 N ATOM 226 CA CYS A 580 -2.813 1.491 4.427 1.00 0.00 C ATOM 227 C CYS A 580 -2.116 1.001 5.692 1.00 0.00 C ATOM 228 O CYS A 580 -2.378 1.495 6.786 1.00 0.00 O ATOM 229 CB CYS A 580 -2.446 2.952 4.157 1.00 0.00 C ATOM 230 SG CYS A 580 -0.685 3.235 3.863 1.00 0.00 S ATOM 0 H CYS A 580 -4.738 2.189 4.875 1.00 0.00 H new ATOM 0 HA CYS A 580 -2.476 0.879 3.590 1.00 0.00 H new ATOM 0 HB2 CYS A 580 -3.008 3.301 3.291 1.00 0.00 H new ATOM 0 HB3 CYS A 580 -2.762 3.557 5.007 1.00 0.00 H new ATOM 235 N TYR A 581 -1.228 0.029 5.537 1.00 0.00 N ATOM 236 CA TYR A 581 -0.495 -0.525 6.670 1.00 0.00 C ATOM 237 C TYR A 581 0.381 0.535 7.340 1.00 0.00 C ATOM 238 O TYR A 581 0.881 0.327 8.445 1.00 0.00 O ATOM 239 CB TYR A 581 0.370 -1.698 6.209 1.00 0.00 C ATOM 240 CG TYR A 581 0.267 -2.912 7.102 1.00 0.00 C ATOM 241 CD1 TYR A 581 -0.904 -3.655 7.161 1.00 0.00 C ATOM 242 CD2 TYR A 581 1.341 -3.313 7.885 1.00 0.00 C ATOM 243 CE1 TYR A 581 -1.002 -4.767 7.977 1.00 0.00 C ATOM 244 CE2 TYR A 581 1.252 -4.422 8.703 1.00 0.00 C ATOM 245 CZ TYR A 581 0.078 -5.146 8.746 1.00 0.00 C ATOM 246 OH TYR A 581 -0.015 -6.251 9.560 1.00 0.00 O ATOM 0 H TYR A 581 -0.997 -0.393 4.638 1.00 0.00 H new ATOM 0 HA TYR A 581 -1.223 -0.874 7.402 1.00 0.00 H new ATOM 0 HB2 TYR A 581 0.080 -1.977 5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 581 1.411 -1.376 6.165 1.00 0.00 H new ATOM 0 HD1 TYR A 581 -1.752 -3.360 6.560 1.00 0.00 H new ATOM 0 HD2 TYR A 581 2.261 -2.748 7.854 1.00 0.00 H new ATOM 0 HE1 TYR A 581 -1.920 -5.336 8.012 1.00 0.00 H new ATOM 0 HE2 TYR A 581 2.097 -4.721 9.306 1.00 0.00 H new ATOM 0 HH TYR A 581 0.833 -6.381 10.033 1.00 0.00 H new ATOM 256 N GLU A 582 0.575 1.662 6.662 1.00 0.00 N ATOM 257 CA GLU A 582 1.404 2.741 7.193 1.00 0.00 C ATOM 258 C GLU A 582 0.592 3.720 8.040 1.00 0.00 C ATOM 259 O GLU A 582 0.909 3.950 9.207 1.00 0.00 O ATOM 260 CB GLU A 582 2.086 3.493 6.047 1.00 0.00 C ATOM 261 CG GLU A 582 3.074 4.550 6.513 1.00 0.00 C ATOM 262 CD GLU A 582 2.396 5.836 6.943 1.00 0.00 C ATOM 263 OE1 GLU A 582 2.122 6.685 6.069 1.00 0.00 O ATOM 264 OE2 GLU A 582 2.136 5.994 8.155 1.00 0.00 O ATOM 0 H GLU A 582 0.171 1.853 5.745 1.00 0.00 H new ATOM 0 HA GLU A 582 2.158 2.287 7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.607 2.776 5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 582 1.323 3.968 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 582 3.656 4.155 7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 582 3.776 4.766 5.707 1.00 0.00 H new ATOM 271 N CYS A 583 -0.442 4.310 7.446 1.00 0.00 N ATOM 272 CA CYS A 583 -1.276 5.280 8.153 1.00 0.00 C ATOM 273 C CYS A 583 -2.661 4.721 8.480 1.00 0.00 C ATOM 274 O CYS A 583 -3.519 5.439 8.992 1.00 0.00 O ATOM 275 CB CYS A 583 -1.421 6.552 7.317 1.00 0.00 C ATOM 276 SG CYS A 583 -2.217 6.294 5.714 1.00 0.00 S ATOM 0 H CYS A 583 -0.722 4.135 6.481 1.00 0.00 H new ATOM 0 HA CYS A 583 -0.779 5.508 9.096 1.00 0.00 H new ATOM 0 HB2 CYS A 583 -1.998 7.283 7.884 1.00 0.00 H new ATOM 0 HB3 CYS A 583 -0.433 6.982 7.155 1.00 0.00 H new ATOM 281 N GLU A 584 -2.880 3.443 8.184 1.00 0.00 N ATOM 282 CA GLU A 584 -4.168 2.808 8.452 1.00 0.00 C ATOM 283 C GLU A 584 -5.308 3.600 7.817 1.00 0.00 C ATOM 284 O GLU A 584 -6.308 3.901 8.471 1.00 0.00 O ATOM 285 CB GLU A 584 -4.392 2.684 9.961 1.00 0.00 C ATOM 286 CG GLU A 584 -3.179 2.164 10.715 1.00 0.00 C ATOM 287 CD GLU A 584 -2.791 3.051 11.881 1.00 0.00 C ATOM 288 OE1 GLU A 584 -3.661 3.799 12.374 1.00 0.00 O ATOM 289 OE2 GLU A 584 -1.616 2.997 12.303 1.00 0.00 O ATOM 0 H GLU A 584 -2.185 2.828 7.760 1.00 0.00 H new ATOM 0 HA GLU A 584 -4.155 1.811 8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 584 -4.667 3.660 10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 584 -5.235 2.017 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 584 -3.388 1.159 11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 584 -2.336 2.084 10.028 1.00 0.00 H new ATOM 296 N GLY A 585 -5.149 3.940 6.541 1.00 0.00 N ATOM 297 CA GLY A 585 -6.170 4.699 5.846 1.00 0.00 C ATOM 298 C GLY A 585 -6.619 4.042 4.554 1.00 0.00 C ATOM 299 O GLY A 585 -5.803 3.729 3.688 1.00 0.00 O ATOM 0 H GLY A 585 -4.332 3.703 5.978 1.00 0.00 H new ATOM 0 HA2 GLY A 585 -7.031 4.825 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 585 -5.788 5.696 5.627 1.00 0.00 H new ATOM 303 N LEU A 586 -7.928 3.840 4.430 1.00 0.00 N ATOM 304 CA LEU A 586 -8.515 3.223 3.243 1.00 0.00 C ATOM 305 C LEU A 586 -7.945 3.831 1.965 1.00 0.00 C ATOM 306 O LEU A 586 -7.832 5.051 1.840 1.00 0.00 O ATOM 307 CB LEU A 586 -10.034 3.393 3.269 1.00 0.00 C ATOM 308 CG LEU A 586 -10.786 2.616 2.192 1.00 0.00 C ATOM 309 CD1 LEU A 586 -10.900 1.149 2.573 1.00 0.00 C ATOM 310 CD2 LEU A 586 -12.164 3.218 1.967 1.00 0.00 C ATOM 0 H LEU A 586 -8.609 4.097 5.145 1.00 0.00 H new ATOM 0 HA LEU A 586 -8.266 2.162 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -10.403 3.081 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -10.268 4.452 3.163 1.00 0.00 H new ATOM 0 HG LEU A 586 -10.223 2.685 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -11.439 0.611 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -9.903 0.723 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -11.440 1.059 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -12.687 2.652 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -12.734 3.179 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -12.060 4.255 1.648 1.00 0.00 H new ATOM 322 N LEU A 587 -7.588 2.970 1.016 1.00 0.00 N ATOM 323 CA LEU A 587 -7.030 3.419 -0.257 1.00 0.00 C ATOM 324 C LEU A 587 -8.122 3.543 -1.313 1.00 0.00 C ATOM 325 O LEU A 587 -7.918 3.197 -2.477 1.00 0.00 O ATOM 326 CB LEU A 587 -5.951 2.444 -0.736 1.00 0.00 C ATOM 327 CG LEU A 587 -4.635 2.495 0.048 1.00 0.00 C ATOM 328 CD1 LEU A 587 -4.396 1.187 0.792 1.00 0.00 C ATOM 329 CD2 LEU A 587 -3.470 2.800 -0.884 1.00 0.00 C ATOM 0 H LEU A 587 -7.675 1.958 1.104 1.00 0.00 H new ATOM 0 HA LEU A 587 -6.582 4.401 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 587 -6.349 1.431 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 587 -5.739 2.648 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 587 -4.708 3.296 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -3.456 1.247 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -5.214 1.011 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -4.347 0.366 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -2.544 2.832 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -3.399 2.022 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 587 -3.632 3.764 -1.366 1.00 0.00 H new ATOM 341 N TRP A 588 -9.283 4.040 -0.901 1.00 0.00 N ATOM 342 CA TRP A 588 -10.410 4.208 -1.811 1.00 0.00 C ATOM 343 C TRP A 588 -10.651 5.683 -2.116 1.00 0.00 C ATOM 344 O TRP A 588 -11.782 6.097 -2.373 1.00 0.00 O ATOM 345 CB TRP A 588 -11.670 3.578 -1.210 1.00 0.00 C ATOM 346 CG TRP A 588 -12.363 2.641 -2.148 1.00 0.00 C ATOM 347 CD1 TRP A 588 -13.708 2.531 -2.359 1.00 0.00 C ATOM 348 CD2 TRP A 588 -11.742 1.679 -3.002 1.00 0.00 C ATOM 349 NE1 TRP A 588 -13.958 1.559 -3.299 1.00 0.00 N ATOM 350 CE2 TRP A 588 -12.765 1.022 -3.708 1.00 0.00 C ATOM 351 CE3 TRP A 588 -10.416 1.313 -3.237 1.00 0.00 C ATOM 352 CZ2 TRP A 588 -12.500 0.018 -4.636 1.00 0.00 C ATOM 353 CZ3 TRP A 588 -10.155 0.319 -4.155 1.00 0.00 C ATOM 354 CH2 TRP A 588 -11.191 -0.319 -4.848 1.00 0.00 C ATOM 0 H TRP A 588 -9.468 4.334 0.058 1.00 0.00 H new ATOM 0 HA TRP A 588 -10.172 3.703 -2.747 1.00 0.00 H new ATOM 0 HB2 TRP A 588 -11.402 3.040 -0.301 1.00 0.00 H new ATOM 0 HB3 TRP A 588 -12.361 4.369 -0.920 1.00 0.00 H new ATOM 0 HD1 TRP A 588 -14.464 3.120 -1.861 1.00 0.00 H new ATOM 0 HE1 TRP A 588 -14.880 1.283 -3.637 1.00 0.00 H new ATOM 0 HE3 TRP A 588 -9.609 1.800 -2.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 588 -13.299 -0.477 -5.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 588 -9.133 0.027 -4.343 1.00 0.00 H new ATOM 0 HH2 TRP A 588 -10.952 -1.092 -5.564 1.00 0.00 H new ATOM 365 N GLY A 589 -9.580 6.470 -2.091 1.00 0.00 N ATOM 366 CA GLY A 589 -9.695 7.890 -2.371 1.00 0.00 C ATOM 367 C GLY A 589 -9.567 8.196 -3.851 1.00 0.00 C ATOM 368 O GLY A 589 -8.498 8.586 -4.319 1.00 0.00 O ATOM 0 H GLY A 589 -8.634 6.150 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 589 -10.657 8.253 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 589 -8.923 8.430 -1.822 1.00 0.00 H new ATOM 372 N ILE A 590 -10.661 8.017 -4.586 1.00 0.00 N ATOM 373 CA ILE A 590 -10.673 8.273 -6.023 1.00 0.00 C ATOM 374 C ILE A 590 -9.822 7.252 -6.769 1.00 0.00 C ATOM 375 O ILE A 590 -10.345 6.414 -7.505 1.00 0.00 O ATOM 376 CB ILE A 590 -10.166 9.692 -6.352 1.00 0.00 C ATOM 377 CG1 ILE A 590 -10.931 10.733 -5.533 1.00 0.00 C ATOM 378 CG2 ILE A 590 -10.303 9.975 -7.841 1.00 0.00 C ATOM 379 CD1 ILE A 590 -10.093 11.931 -5.142 1.00 0.00 C ATOM 0 H ILE A 590 -11.552 7.695 -4.209 1.00 0.00 H new ATOM 0 HA ILE A 590 -11.709 8.186 -6.349 1.00 0.00 H new ATOM 0 HB ILE A 590 -9.110 9.753 -6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 590 -11.792 11.074 -6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 590 -11.318 10.260 -4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 590 -9.941 10.980 -8.055 1.00 0.00 H new ATOM 0 HG22 ILE A 590 -9.716 9.250 -8.405 1.00 0.00 H new ATOM 0 HG23 ILE A 590 -11.351 9.898 -8.131 1.00 0.00 H new ATOM 0 HD11 ILE A 590 -10.701 12.627 -4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 590 -9.246 11.602 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 590 -9.728 12.428 -6.040 1.00 0.00 H new ATOM 391 N ALA A 591 -8.510 7.325 -6.577 1.00 0.00 N ATOM 392 CA ALA A 591 -7.594 6.404 -7.235 1.00 0.00 C ATOM 393 C ALA A 591 -7.330 5.180 -6.369 1.00 0.00 C ATOM 394 O ALA A 591 -6.436 5.185 -5.522 1.00 0.00 O ATOM 395 CB ALA A 591 -6.288 7.104 -7.573 1.00 0.00 C ATOM 0 H ALA A 591 -8.058 8.011 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 591 -8.062 6.069 -8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 591 -5.615 6.401 -8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 591 -6.487 7.943 -8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 591 -5.824 7.471 -6.657 1.00 0.00 H new ATOM 401 N ARG A 592 -8.111 4.129 -6.589 1.00 0.00 N ATOM 402 CA ARG A 592 -7.965 2.888 -5.835 1.00 0.00 C ATOM 403 C ARG A 592 -6.520 2.391 -5.858 1.00 0.00 C ATOM 404 O ARG A 592 -6.099 1.637 -4.979 1.00 0.00 O ATOM 405 CB ARG A 592 -8.895 1.812 -6.399 1.00 0.00 C ATOM 406 CG ARG A 592 -8.949 1.783 -7.918 1.00 0.00 C ATOM 407 CD ARG A 592 -9.611 0.513 -8.430 1.00 0.00 C ATOM 408 NE ARG A 592 -10.147 0.682 -9.779 1.00 0.00 N ATOM 409 CZ ARG A 592 -11.075 -0.109 -10.313 1.00 0.00 C ATOM 410 NH1 ARG A 592 -11.573 -1.123 -9.618 1.00 0.00 N ATOM 411 NH2 ARG A 592 -11.505 0.116 -11.547 1.00 0.00 N ATOM 0 H ARG A 592 -8.855 4.111 -7.286 1.00 0.00 H new ATOM 0 HA ARG A 592 -8.238 3.093 -4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -8.568 0.837 -6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -9.901 1.975 -6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -9.499 2.652 -8.280 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -7.938 1.855 -8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -8.886 -0.301 -8.427 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -10.416 0.225 -7.753 1.00 0.00 H new ATOM 0 HE ARG A 592 -9.789 1.451 -10.345 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -11.245 -1.300 -8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -12.284 -1.725 -10.033 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -11.125 0.894 -12.086 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -12.216 -0.489 -11.958 1.00 0.00 H new ATOM 425 N GLN A 593 -5.762 2.817 -6.869 1.00 0.00 N ATOM 426 CA GLN A 593 -4.362 2.417 -7.010 1.00 0.00 C ATOM 427 C GLN A 593 -3.615 2.524 -5.681 1.00 0.00 C ATOM 428 O GLN A 593 -3.995 3.301 -4.805 1.00 0.00 O ATOM 429 CB GLN A 593 -3.671 3.284 -8.065 1.00 0.00 C ATOM 430 CG GLN A 593 -2.231 2.878 -8.338 1.00 0.00 C ATOM 431 CD GLN A 593 -1.728 3.382 -9.676 1.00 0.00 C ATOM 432 OE1 GLN A 593 -1.181 2.478 -10.481 1.00 0.00 O flip ATOM 433 NE2 GLN A 593 -1.830 4.570 -9.984 1.00 0.00 N flip ATOM 0 H GLN A 593 -6.095 3.441 -7.604 1.00 0.00 H new ATOM 0 HA GLN A 593 -4.343 1.374 -7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -4.237 3.231 -8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -3.691 4.324 -7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -1.592 3.265 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -2.152 1.791 -8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -2.257 5.230 -9.335 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -1.487 4.894 -10.889 1.00 0.00 H new ATOM 442 N GLY A 594 -2.550 1.737 -5.540 1.00 0.00 N ATOM 443 CA GLY A 594 -1.768 1.757 -4.318 1.00 0.00 C ATOM 444 C GLY A 594 -0.444 1.033 -4.459 1.00 0.00 C ATOM 445 O GLY A 594 0.014 0.767 -5.571 1.00 0.00 O ATOM 0 H GLY A 594 -2.216 1.087 -6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -1.583 2.791 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -2.345 1.298 -3.515 1.00 0.00 H new ATOM 449 N MET A 595 0.167 0.715 -3.325 1.00 0.00 N ATOM 450 CA MET A 595 1.446 0.017 -3.306 1.00 0.00 C ATOM 451 C MET A 595 1.358 -1.228 -2.429 1.00 0.00 C ATOM 452 O MET A 595 0.657 -1.230 -1.418 1.00 0.00 O ATOM 453 CB MET A 595 2.540 0.947 -2.781 1.00 0.00 C ATOM 454 CG MET A 595 2.919 2.046 -3.758 1.00 0.00 C ATOM 455 SD MET A 595 3.700 1.405 -5.248 1.00 0.00 S ATOM 456 CE MET A 595 4.965 0.356 -4.538 1.00 0.00 C ATOM 0 H MET A 595 -0.206 0.931 -2.400 1.00 0.00 H new ATOM 0 HA MET A 595 1.693 -0.288 -4.323 1.00 0.00 H new ATOM 0 HB2 MET A 595 2.204 1.400 -1.848 1.00 0.00 H new ATOM 0 HB3 MET A 595 3.426 0.357 -2.548 1.00 0.00 H new ATOM 0 HG2 MET A 595 2.026 2.607 -4.033 1.00 0.00 H new ATOM 0 HG3 MET A 595 3.597 2.745 -3.268 1.00 0.00 H new ATOM 0 HE1 MET A 595 5.615 -0.017 -5.330 1.00 0.00 H new ATOM 0 HE2 MET A 595 5.555 0.930 -3.824 1.00 0.00 H new ATOM 0 HE3 MET A 595 4.496 -0.485 -4.028 1.00 0.00 H new ATOM 466 N ARG A 596 2.060 -2.286 -2.816 1.00 0.00 N ATOM 467 CA ARG A 596 2.037 -3.526 -2.051 1.00 0.00 C ATOM 468 C ARG A 596 3.390 -4.230 -2.099 1.00 0.00 C ATOM 469 O ARG A 596 4.055 -4.254 -3.134 1.00 0.00 O ATOM 470 CB ARG A 596 0.935 -4.445 -2.589 1.00 0.00 C ATOM 471 CG ARG A 596 1.024 -5.889 -2.112 1.00 0.00 C ATOM 472 CD ARG A 596 0.486 -6.845 -3.162 1.00 0.00 C ATOM 473 NE ARG A 596 1.359 -8.002 -3.353 1.00 0.00 N ATOM 474 CZ ARG A 596 2.282 -8.092 -4.309 1.00 0.00 C ATOM 475 NH1 ARG A 596 2.468 -7.092 -5.165 1.00 0.00 N ATOM 476 NH2 ARG A 596 3.026 -9.185 -4.410 1.00 0.00 N ATOM 0 H ARG A 596 2.648 -2.311 -3.649 1.00 0.00 H new ATOM 0 HA ARG A 596 1.827 -3.285 -1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -0.033 -4.039 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 596 0.970 -4.433 -3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 596 2.061 -6.138 -1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 596 0.460 -6.005 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -0.507 -7.185 -2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 596 0.373 -6.317 -4.109 1.00 0.00 H new ATOM 0 HE ARG A 596 1.255 -8.790 -2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 596 1.901 -6.247 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 596 3.177 -7.170 -5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 596 2.891 -9.956 -3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 596 3.733 -9.255 -5.142 1.00 0.00 H new ATOM 490 N CYS A 597 3.778 -4.818 -0.971 1.00 0.00 N ATOM 491 CA CYS A 597 5.040 -5.540 -0.879 1.00 0.00 C ATOM 492 C CYS A 597 4.902 -6.926 -1.503 1.00 0.00 C ATOM 493 O CYS A 597 3.866 -7.576 -1.366 1.00 0.00 O ATOM 494 CB CYS A 597 5.475 -5.664 0.583 1.00 0.00 C ATOM 495 SG CYS A 597 7.029 -6.557 0.823 1.00 0.00 S ATOM 0 H CYS A 597 3.235 -4.808 -0.108 1.00 0.00 H new ATOM 0 HA CYS A 597 5.800 -4.982 -1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 597 5.575 -4.665 1.006 1.00 0.00 H new ATOM 0 HB3 CYS A 597 4.688 -6.170 1.142 1.00 0.00 H new ATOM 500 N THR A 598 5.949 -7.373 -2.185 1.00 0.00 N ATOM 501 CA THR A 598 5.939 -8.682 -2.825 1.00 0.00 C ATOM 502 C THR A 598 6.648 -9.710 -1.952 1.00 0.00 C ATOM 503 O THR A 598 7.259 -10.653 -2.453 1.00 0.00 O ATOM 504 CB THR A 598 6.612 -8.611 -4.198 1.00 0.00 C ATOM 505 OG1 THR A 598 8.012 -8.453 -4.062 1.00 0.00 O ATOM 506 CG2 THR A 598 6.101 -7.473 -5.056 1.00 0.00 C ATOM 0 H THR A 598 6.815 -6.849 -2.309 1.00 0.00 H new ATOM 0 HA THR A 598 4.901 -8.989 -2.956 1.00 0.00 H new ATOM 0 HB THR A 598 6.368 -9.553 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 598 8.400 -9.274 -3.694 1.00 0.00 H new ATOM 0 HG21 THR A 598 6.619 -7.479 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 598 5.030 -7.594 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 598 6.285 -6.525 -4.551 1.00 0.00 H new ATOM 514 N GLU A 599 6.566 -9.514 -0.640 1.00 0.00 N ATOM 515 CA GLU A 599 7.206 -10.418 0.309 1.00 0.00 C ATOM 516 C GLU A 599 6.309 -10.676 1.518 1.00 0.00 C ATOM 517 O GLU A 599 6.225 -11.802 2.007 1.00 0.00 O ATOM 518 CB GLU A 599 8.545 -9.840 0.776 1.00 0.00 C ATOM 519 CG GLU A 599 9.291 -9.070 -0.303 1.00 0.00 C ATOM 520 CD GLU A 599 9.892 -9.979 -1.357 1.00 0.00 C ATOM 521 OE1 GLU A 599 10.663 -10.888 -0.988 1.00 0.00 O ATOM 522 OE2 GLU A 599 9.591 -9.780 -2.554 1.00 0.00 O ATOM 0 H GLU A 599 6.063 -8.738 -0.210 1.00 0.00 H new ATOM 0 HA GLU A 599 7.380 -11.366 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 599 8.369 -9.179 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 599 9.177 -10.654 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 599 8.608 -8.367 -0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 599 10.084 -8.481 0.158 1.00 0.00 H new ATOM 529 N CYS A 600 5.647 -9.628 2.002 1.00 0.00 N ATOM 530 CA CYS A 600 4.767 -9.753 3.157 1.00 0.00 C ATOM 531 C CYS A 600 3.308 -9.541 2.766 1.00 0.00 C ATOM 532 O CYS A 600 2.398 -9.971 3.477 1.00 0.00 O ATOM 533 CB CYS A 600 5.166 -8.746 4.239 1.00 0.00 C ATOM 534 SG CYS A 600 6.950 -8.609 4.501 1.00 0.00 S ATOM 0 H CYS A 600 5.704 -8.687 1.613 1.00 0.00 H new ATOM 0 HA CYS A 600 4.873 -10.765 3.549 1.00 0.00 H new ATOM 0 HB2 CYS A 600 4.773 -7.766 3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 600 4.693 -9.032 5.178 1.00 0.00 H new ATOM 539 N GLY A 601 3.087 -8.875 1.637 1.00 0.00 N ATOM 540 CA GLY A 601 1.734 -8.621 1.183 1.00 0.00 C ATOM 541 C GLY A 601 1.197 -7.286 1.666 1.00 0.00 C ATOM 542 O GLY A 601 0.094 -6.884 1.295 1.00 0.00 O ATOM 0 H GLY A 601 3.820 -8.508 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 601 1.710 -8.645 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 601 1.081 -9.420 1.534 1.00 0.00 H new ATOM 546 N VAL A 602 1.978 -6.594 2.495 1.00 0.00 N ATOM 547 CA VAL A 602 1.571 -5.297 3.025 1.00 0.00 C ATOM 548 C VAL A 602 1.202 -4.340 1.896 1.00 0.00 C ATOM 549 O VAL A 602 1.854 -4.320 0.853 1.00 0.00 O ATOM 550 CB VAL A 602 2.691 -4.668 3.880 1.00 0.00 C ATOM 551 CG1 VAL A 602 3.955 -4.472 3.055 1.00 0.00 C ATOM 552 CG2 VAL A 602 2.230 -3.348 4.486 1.00 0.00 C ATOM 0 H VAL A 602 2.894 -6.911 2.812 1.00 0.00 H new ATOM 0 HA VAL A 602 0.697 -5.464 3.654 1.00 0.00 H new ATOM 0 HB VAL A 602 2.922 -5.354 4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 602 4.731 -4.027 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 602 4.298 -5.436 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.742 -3.812 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 602 3.035 -2.922 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 602 1.965 -2.654 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 602 1.360 -3.522 5.119 1.00 0.00 H new ATOM 562 N LYS A 603 0.156 -3.548 2.109 1.00 0.00 N ATOM 563 CA LYS A 603 -0.290 -2.592 1.103 1.00 0.00 C ATOM 564 C LYS A 603 -0.348 -1.184 1.681 1.00 0.00 C ATOM 565 O LYS A 603 -0.764 -0.988 2.823 1.00 0.00 O ATOM 566 CB LYS A 603 -1.663 -2.983 0.555 1.00 0.00 C ATOM 567 CG LYS A 603 -1.836 -4.481 0.370 1.00 0.00 C ATOM 568 CD LYS A 603 -2.201 -4.835 -1.062 1.00 0.00 C ATOM 569 CE LYS A 603 -3.379 -5.795 -1.117 1.00 0.00 C ATOM 570 NZ LYS A 603 -3.022 -7.141 -0.588 1.00 0.00 N ATOM 0 H LYS A 603 -0.397 -3.549 2.966 1.00 0.00 H new ATOM 0 HA LYS A 603 0.433 -2.607 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 603 -2.434 -2.617 1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 603 -1.818 -2.486 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 603 -0.913 -4.990 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 603 -2.613 -4.843 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 603 -2.446 -3.926 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 603 -1.340 -5.285 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 603 -4.208 -5.386 -0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 603 -3.723 -5.889 -2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 -3.851 -7.766 -0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 -2.248 -7.542 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 -2.718 -7.055 0.403 1.00 0.00 H new ATOM 584 N CYS A 604 0.074 -0.211 0.887 1.00 0.00 N ATOM 585 CA CYS A 604 0.075 1.184 1.321 1.00 0.00 C ATOM 586 C CYS A 604 -0.156 2.124 0.144 1.00 0.00 C ATOM 587 O CYS A 604 -0.267 1.686 -1.000 1.00 0.00 O ATOM 588 CB CYS A 604 1.394 1.536 2.023 1.00 0.00 C ATOM 589 SG CYS A 604 2.765 0.406 1.675 1.00 0.00 S ATOM 0 H CYS A 604 0.420 -0.358 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 604 -0.744 1.310 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 604 1.688 2.543 1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 604 1.222 1.556 3.099 1.00 0.00 H new ATOM 0 HG CYS A 604 3.287 0.699 0.521 1.00 0.00 H new ATOM 595 N HIS A 605 -0.218 3.419 0.431 1.00 0.00 N ATOM 596 CA HIS A 605 -0.423 4.424 -0.604 1.00 0.00 C ATOM 597 C HIS A 605 0.866 4.641 -1.394 1.00 0.00 C ATOM 598 O HIS A 605 1.893 4.032 -1.097 1.00 0.00 O ATOM 599 CB HIS A 605 -0.891 5.741 0.020 1.00 0.00 C ATOM 600 CG HIS A 605 -2.282 5.680 0.577 1.00 0.00 C ATOM 601 ND1 HIS A 605 -2.553 5.612 1.929 1.00 0.00 N ATOM 602 CD2 HIS A 605 -3.487 5.678 -0.042 1.00 0.00 C ATOM 603 CE1 HIS A 605 -3.858 5.569 2.117 1.00 0.00 C ATOM 604 NE2 HIS A 605 -4.449 5.608 0.937 1.00 0.00 N ATOM 0 H HIS A 605 -0.129 3.798 1.374 1.00 0.00 H new ATOM 0 HA HIS A 605 -1.195 4.068 -1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.202 6.021 0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.844 6.527 -0.733 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -3.660 5.723 -1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -4.358 5.512 3.073 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.456 5.589 0.778 1.00 0.00 H new ATOM 612 N GLU A 606 0.806 5.502 -2.403 1.00 0.00 N ATOM 613 CA GLU A 606 1.972 5.786 -3.235 1.00 0.00 C ATOM 614 C GLU A 606 3.053 6.520 -2.443 1.00 0.00 C ATOM 615 O GLU A 606 4.245 6.308 -2.662 1.00 0.00 O ATOM 616 CB GLU A 606 1.563 6.618 -4.452 1.00 0.00 C ATOM 617 CG GLU A 606 2.368 6.305 -5.702 1.00 0.00 C ATOM 618 CD GLU A 606 2.425 7.474 -6.667 1.00 0.00 C ATOM 619 OE1 GLU A 606 1.445 7.676 -7.413 1.00 0.00 O ATOM 620 OE2 GLU A 606 3.452 8.185 -6.677 1.00 0.00 O ATOM 0 H GLU A 606 -0.035 6.015 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 606 2.383 4.834 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 606 0.506 6.449 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 606 1.676 7.676 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 606 3.382 6.025 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 606 1.929 5.444 -6.206 1.00 0.00 H new ATOM 627 N LYS A 607 2.631 7.385 -1.527 1.00 0.00 N ATOM 628 CA LYS A 607 3.570 8.147 -0.708 1.00 0.00 C ATOM 629 C LYS A 607 3.897 7.405 0.584 1.00 0.00 C ATOM 630 O LYS A 607 5.061 7.285 0.972 1.00 0.00 O ATOM 631 CB LYS A 607 2.995 9.527 -0.382 1.00 0.00 C ATOM 632 CG LYS A 607 2.224 10.159 -1.531 1.00 0.00 C ATOM 633 CD LYS A 607 1.610 11.488 -1.124 1.00 0.00 C ATOM 634 CE LYS A 607 0.711 12.045 -2.217 1.00 0.00 C ATOM 635 NZ LYS A 607 -0.408 12.852 -1.659 1.00 0.00 N ATOM 0 H LYS A 607 1.648 7.576 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 607 4.490 8.269 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 607 2.335 9.441 0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 607 3.810 10.191 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 607 2.892 10.310 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 607 1.438 9.479 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 607 1.033 11.358 -0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 607 2.402 12.203 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 607 1.302 12.663 -2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 607 0.306 11.223 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 -0.997 13.213 -2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 -0.987 12.256 -1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 -0.023 13.651 -1.116 1.00 0.00 H new ATOM 649 N CYS A 608 2.859 6.918 1.252 1.00 0.00 N ATOM 650 CA CYS A 608 3.026 6.196 2.507 1.00 0.00 C ATOM 651 C CYS A 608 3.901 4.958 2.328 1.00 0.00 C ATOM 652 O CYS A 608 4.492 4.466 3.290 1.00 0.00 O ATOM 653 CB CYS A 608 1.662 5.802 3.073 1.00 0.00 C ATOM 654 SG CYS A 608 0.654 7.210 3.593 1.00 0.00 S ATOM 0 H CYS A 608 1.891 7.010 0.945 1.00 0.00 H new ATOM 0 HA CYS A 608 3.528 6.860 3.211 1.00 0.00 H new ATOM 0 HB2 CYS A 608 1.116 5.235 2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 608 1.810 5.139 3.925 1.00 0.00 H new ATOM 659 N GLN A 609 3.990 4.460 1.098 1.00 0.00 N ATOM 660 CA GLN A 609 4.804 3.282 0.815 1.00 0.00 C ATOM 661 C GLN A 609 6.252 3.524 1.227 1.00 0.00 C ATOM 662 O GLN A 609 6.958 2.598 1.628 1.00 0.00 O ATOM 663 CB GLN A 609 4.733 2.922 -0.670 1.00 0.00 C ATOM 664 CG GLN A 609 5.274 4.005 -1.587 1.00 0.00 C ATOM 665 CD GLN A 609 6.601 3.630 -2.217 1.00 0.00 C ATOM 666 OE1 GLN A 609 7.560 3.299 -1.522 1.00 0.00 O ATOM 667 NE2 GLN A 609 6.661 3.684 -3.543 1.00 0.00 N ATOM 0 H GLN A 609 3.512 4.851 0.286 1.00 0.00 H new ATOM 0 HA GLN A 609 4.409 2.447 1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 609 5.293 2.002 -0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 609 3.696 2.718 -0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 609 4.547 4.206 -2.374 1.00 0.00 H new ATOM 0 HG3 GLN A 609 5.394 4.929 -1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 609 5.840 3.964 -4.080 1.00 0.00 H new ATOM 0 HE22 GLN A 609 7.528 3.445 -4.024 1.00 0.00 H new ATOM 676 N ASP A 610 6.683 4.777 1.137 1.00 0.00 N ATOM 677 CA ASP A 610 8.041 5.148 1.510 1.00 0.00 C ATOM 678 C ASP A 610 8.105 5.512 2.989 1.00 0.00 C ATOM 679 O ASP A 610 9.129 5.320 3.644 1.00 0.00 O ATOM 680 CB ASP A 610 8.526 6.322 0.657 1.00 0.00 C ATOM 681 CG ASP A 610 9.915 6.092 0.094 1.00 0.00 C ATOM 682 OD1 ASP A 610 10.028 5.421 -0.954 1.00 0.00 O ATOM 683 OD2 ASP A 610 10.890 6.583 0.701 1.00 0.00 O ATOM 0 H ASP A 610 6.110 5.554 0.808 1.00 0.00 H new ATOM 0 HA ASP A 610 8.693 4.293 1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 610 7.827 6.485 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.527 7.230 1.260 1.00 0.00 H new ATOM 688 N LEU A 611 7.000 6.041 3.509 1.00 0.00 N ATOM 689 CA LEU A 611 6.925 6.433 4.912 1.00 0.00 C ATOM 690 C LEU A 611 6.774 5.213 5.817 1.00 0.00 C ATOM 691 O LEU A 611 7.184 5.235 6.978 1.00 0.00 O ATOM 692 CB LEU A 611 5.756 7.392 5.133 1.00 0.00 C ATOM 693 CG LEU A 611 5.853 8.712 4.367 1.00 0.00 C ATOM 694 CD1 LEU A 611 4.469 9.297 4.129 1.00 0.00 C ATOM 695 CD2 LEU A 611 6.732 9.699 5.119 1.00 0.00 C ATOM 0 H LEU A 611 6.145 6.208 2.979 1.00 0.00 H new ATOM 0 HA LEU A 611 7.856 6.938 5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 611 4.833 6.889 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 611 5.681 7.611 6.198 1.00 0.00 H new ATOM 0 HG LEU A 611 6.310 8.515 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 611 4.560 10.236 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 611 3.872 8.595 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 611 3.982 9.480 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 611 6.791 10.633 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 611 6.304 9.891 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 611 7.732 9.281 5.234 1.00 0.00 H new ATOM 707 N LEU A 612 6.177 4.152 5.281 1.00 0.00 N ATOM 708 CA LEU A 612 5.965 2.924 6.043 1.00 0.00 C ATOM 709 C LEU A 612 7.273 2.406 6.633 1.00 0.00 C ATOM 710 O LEU A 612 8.336 2.538 6.026 1.00 0.00 O ATOM 711 CB LEU A 612 5.336 1.850 5.151 1.00 0.00 C ATOM 712 CG LEU A 612 4.522 0.786 5.893 1.00 0.00 C ATOM 713 CD1 LEU A 612 3.321 0.359 5.065 1.00 0.00 C ATOM 714 CD2 LEU A 612 5.394 -0.415 6.227 1.00 0.00 C ATOM 0 H LEU A 612 5.831 4.117 4.322 1.00 0.00 H new ATOM 0 HA LEU A 612 5.287 3.153 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 612 4.689 2.338 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 612 6.129 1.354 4.591 1.00 0.00 H new ATOM 0 HG LEU A 612 4.160 1.219 6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 612 2.755 -0.397 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 612 2.684 1.223 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 612 3.662 -0.055 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 612 4.799 -1.161 6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 612 5.786 -0.847 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 612 6.223 -0.098 6.860 1.00 0.00 H new ATOM 726 N ASN A 613 7.187 1.815 7.821 1.00 0.00 N ATOM 727 CA ASN A 613 8.362 1.274 8.496 1.00 0.00 C ATOM 728 C ASN A 613 8.754 -0.074 7.904 1.00 0.00 C ATOM 729 O ASN A 613 7.935 -0.989 7.823 1.00 0.00 O ATOM 730 CB ASN A 613 8.094 1.127 9.995 1.00 0.00 C ATOM 731 CG ASN A 613 7.560 2.402 10.618 1.00 0.00 C ATOM 732 OD1 ASN A 613 7.325 3.394 9.927 1.00 0.00 O ATOM 733 ND2 ASN A 613 7.367 2.383 11.932 1.00 0.00 N ATOM 0 H ASN A 613 6.315 1.699 8.337 1.00 0.00 H new ATOM 0 HA ASN A 613 9.188 1.970 8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 613 7.378 0.321 10.155 1.00 0.00 H new ATOM 0 HB3 ASN A 613 9.017 0.839 10.499 1.00 0.00 H new ATOM 0 HD21 ASN A 613 7.011 3.212 12.407 1.00 0.00 H new ATOM 0 HD22 ASN A 613 7.575 1.539 12.466 1.00 0.00 H new ATOM 740 N ALA A 614 10.012 -0.191 7.493 1.00 0.00 N ATOM 741 CA ALA A 614 10.512 -1.431 6.909 1.00 0.00 C ATOM 742 C ALA A 614 10.576 -2.541 7.951 1.00 0.00 C ATOM 743 O ALA A 614 10.767 -2.282 9.139 1.00 0.00 O ATOM 744 CB ALA A 614 11.883 -1.206 6.290 1.00 0.00 C ATOM 0 H ALA A 614 10.704 0.556 7.553 1.00 0.00 H new ATOM 0 HA ALA A 614 9.819 -1.742 6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 614 12.245 -2.139 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 614 11.810 -0.449 5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 614 12.578 -0.869 7.059 1.00 0.00 H new ATOM 750 N ASP A 615 10.413 -3.780 7.498 1.00 0.00 N ATOM 751 CA ASP A 615 10.452 -4.933 8.390 1.00 0.00 C ATOM 752 C ASP A 615 10.426 -6.235 7.596 1.00 0.00 C ATOM 753 O ASP A 615 9.767 -7.199 7.986 1.00 0.00 O ATOM 754 CB ASP A 615 9.273 -4.891 9.364 1.00 0.00 C ATOM 755 CG ASP A 615 9.624 -5.469 10.720 1.00 0.00 C ATOM 756 OD1 ASP A 615 10.607 -4.998 11.330 1.00 0.00 O ATOM 757 OD2 ASP A 615 8.915 -6.392 11.174 1.00 0.00 O ATOM 0 H ASP A 615 10.253 -4.011 6.518 1.00 0.00 H new ATOM 0 HA ASP A 615 11.383 -4.892 8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 615 8.943 -3.860 9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 615 8.436 -5.446 8.941 1.00 0.00 H new ATOM 762 N CYS A 616 11.148 -6.256 6.481 1.00 0.00 N ATOM 763 CA CYS A 616 11.208 -7.439 5.632 1.00 0.00 C ATOM 764 C CYS A 616 12.352 -8.354 6.055 1.00 0.00 C ATOM 765 O CYS A 616 12.403 -9.503 5.568 1.00 0.00 O ATOM 766 CB CYS A 616 11.376 -7.033 4.167 1.00 0.00 C ATOM 767 SG CYS A 616 10.271 -7.900 3.029 1.00 0.00 S ATOM 0 H CYS A 616 11.700 -5.467 6.144 1.00 0.00 H new ATOM 0 HA CYS A 616 10.271 -7.985 5.744 1.00 0.00 H new ATOM 0 HB2 CYS A 616 11.204 -5.960 4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 616 12.407 -7.217 3.866 1.00 0.00 H new TER 772 CYS A 616 HETATM 773 ZN ZN A 701 7.904 -7.090 2.969 1.00 0.00 ZN HETATM 774 ZN ZN A 702 -1.011 5.568 3.633 1.00 0.00 ZN