USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 367 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 567 HIS HD1 : A 567 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD NoAdj-H: A 605 HIS HD1 : A 605 HIS ND1 : A 702 ZNZN :(H bumps) USER MOD Set 1.1: A 568 ASN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Set 1.2: A 598 THR OG1 : rot 180:sc= -1.13 USER MOD Set 2.1: A 595 MET CE :methyl -164:sc= -6.04! (180deg=-6.87!) USER MOD Set 2.2: A 609 GLN : amide:sc= -0.261 K(o=-6.3,f=-7.9) USER MOD Set 3.1: A 575 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 576 THR OG1 : rot 180:sc= 0 USER MOD Single : A 566 GLN : amide:sc= -0.307 K(o=-0.31,f=-2.4!) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 578 THR OG1 : rot 62:sc= 0.653 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= -0.0949 K(o=-0.095,f=-0.68) USER MOD Single : A 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 604 CYS SG : rot -94:sc= -1.03 USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 613 ASN : amide:sc= 0.618 K(o=0.62,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 566 14.613 -4.171 2.338 1.00 0.00 N ATOM 2 CA GLN A 566 13.335 -3.479 2.651 1.00 0.00 C ATOM 3 C GLN A 566 12.174 -4.089 1.872 1.00 0.00 C ATOM 4 O GLN A 566 12.376 -4.909 0.977 1.00 0.00 O ATOM 5 CB GLN A 566 13.488 -1.995 2.303 1.00 0.00 C ATOM 6 CG GLN A 566 13.517 -1.087 3.522 1.00 0.00 C ATOM 7 CD GLN A 566 12.743 0.199 3.309 1.00 0.00 C ATOM 8 OE1 GLN A 566 11.880 0.281 2.435 1.00 0.00 O ATOM 9 NE2 GLN A 566 13.050 1.213 4.109 1.00 0.00 N ATOM 0 HA GLN A 566 13.113 -3.595 3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 566 14.407 -1.856 1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 566 12.664 -1.695 1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 566 13.101 -1.620 4.377 1.00 0.00 H new ATOM 0 HG3 GLN A 566 14.552 -0.848 3.768 1.00 0.00 H new ATOM 0 HE21 GLN A 566 13.772 1.101 4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 566 12.563 2.104 4.012 1.00 0.00 H new ATOM 18 N HIS A 567 10.957 -3.684 2.222 1.00 0.00 N ATOM 19 CA HIS A 567 9.763 -4.193 1.556 1.00 0.00 C ATOM 20 C HIS A 567 9.786 -3.869 0.068 1.00 0.00 C ATOM 21 O HIS A 567 9.943 -2.713 -0.325 1.00 0.00 O ATOM 22 CB HIS A 567 8.506 -3.600 2.197 1.00 0.00 C ATOM 23 CG HIS A 567 8.399 -3.877 3.663 1.00 0.00 C ATOM 24 ND1 HIS A 567 8.039 -5.106 4.171 1.00 0.00 N ATOM 25 CD2 HIS A 567 8.610 -3.077 4.735 1.00 0.00 C ATOM 26 CE1 HIS A 567 8.030 -5.052 5.490 1.00 0.00 C ATOM 27 NE2 HIS A 567 8.374 -3.831 5.859 1.00 0.00 N ATOM 0 H HIS A 567 10.772 -3.006 2.961 1.00 0.00 H new ATOM 0 HA HIS A 567 9.749 -5.277 1.672 1.00 0.00 H new ATOM 0 HB2 HIS A 567 8.500 -2.522 2.037 1.00 0.00 H new ATOM 0 HB3 HIS A 567 7.627 -4.002 1.694 1.00 0.00 H new ATOM 0 HD2 HIS A 567 8.908 -2.039 4.711 1.00 0.00 H new ATOM 0 HE1 HIS A 567 7.783 -5.867 6.154 1.00 0.00 H new ATOM 0 HE2 HIS A 567 8.452 -3.502 6.821 1.00 0.00 H new ATOM 35 N ASN A 568 9.617 -4.898 -0.755 1.00 0.00 N ATOM 36 CA ASN A 568 9.607 -4.723 -2.202 1.00 0.00 C ATOM 37 C ASN A 568 8.264 -4.163 -2.653 1.00 0.00 C ATOM 38 O ASN A 568 7.522 -4.809 -3.395 1.00 0.00 O ATOM 39 CB ASN A 568 9.884 -6.056 -2.900 1.00 0.00 C ATOM 40 CG ASN A 568 10.530 -5.873 -4.259 1.00 0.00 C ATOM 41 OD1 ASN A 568 11.749 -5.728 -4.366 1.00 0.00 O ATOM 42 ND2 ASN A 568 9.716 -5.880 -5.308 1.00 0.00 N ATOM 0 H ASN A 568 9.485 -5.861 -0.445 1.00 0.00 H new ATOM 0 HA ASN A 568 10.392 -4.017 -2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 568 10.534 -6.664 -2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 568 8.949 -6.604 -3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 568 10.094 -5.762 -6.248 1.00 0.00 H new ATOM 0 HD22 ASN A 568 8.712 -6.003 -5.174 1.00 0.00 H new ATOM 49 N PHE A 569 7.953 -2.960 -2.187 1.00 0.00 N ATOM 50 CA PHE A 569 6.696 -2.307 -2.523 1.00 0.00 C ATOM 51 C PHE A 569 6.578 -2.071 -4.024 1.00 0.00 C ATOM 52 O PHE A 569 7.337 -1.294 -4.604 1.00 0.00 O ATOM 53 CB PHE A 569 6.576 -0.980 -1.775 1.00 0.00 C ATOM 54 CG PHE A 569 6.199 -1.138 -0.332 1.00 0.00 C ATOM 55 CD1 PHE A 569 4.985 -1.702 0.023 1.00 0.00 C ATOM 56 CD2 PHE A 569 7.059 -0.720 0.671 1.00 0.00 C ATOM 57 CE1 PHE A 569 4.633 -1.846 1.352 1.00 0.00 C ATOM 58 CE2 PHE A 569 6.714 -0.861 2.002 1.00 0.00 C ATOM 59 CZ PHE A 569 5.499 -1.424 2.343 1.00 0.00 C ATOM 0 H PHE A 569 8.558 -2.415 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 569 5.884 -2.967 -2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 569 7.526 -0.449 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 569 5.830 -0.359 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 569 4.305 -2.033 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 569 8.010 -0.279 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 569 3.683 -2.287 1.615 1.00 0.00 H new ATOM 0 HE2 PHE A 569 7.393 -0.532 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 569 5.227 -1.534 3.382 1.00 0.00 H new ATOM 69 N GLU A 570 5.610 -2.738 -4.642 1.00 0.00 N ATOM 70 CA GLU A 570 5.373 -2.598 -6.072 1.00 0.00 C ATOM 71 C GLU A 570 4.023 -1.935 -6.316 1.00 0.00 C ATOM 72 O GLU A 570 3.121 -2.024 -5.484 1.00 0.00 O ATOM 73 CB GLU A 570 5.418 -3.966 -6.757 1.00 0.00 C ATOM 74 CG GLU A 570 4.311 -4.908 -6.311 1.00 0.00 C ATOM 75 CD GLU A 570 3.079 -4.820 -7.192 1.00 0.00 C ATOM 76 OE1 GLU A 570 3.181 -4.258 -8.302 1.00 0.00 O ATOM 77 OE2 GLU A 570 2.012 -5.314 -6.770 1.00 0.00 O ATOM 0 H GLU A 570 4.975 -3.383 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 570 6.158 -1.971 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 570 5.351 -3.825 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 570 6.383 -4.432 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 570 4.686 -5.932 -6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 570 4.035 -4.677 -5.282 1.00 0.00 H new ATOM 84 N VAL A 571 3.889 -1.265 -7.453 1.00 0.00 N ATOM 85 CA VAL A 571 2.643 -0.588 -7.786 1.00 0.00 C ATOM 86 C VAL A 571 1.495 -1.582 -7.907 1.00 0.00 C ATOM 87 O VAL A 571 1.393 -2.316 -8.891 1.00 0.00 O ATOM 88 CB VAL A 571 2.764 0.209 -9.099 1.00 0.00 C ATOM 89 CG1 VAL A 571 1.505 1.025 -9.348 1.00 0.00 C ATOM 90 CG2 VAL A 571 3.993 1.105 -9.073 1.00 0.00 C ATOM 0 H VAL A 571 4.623 -1.176 -8.156 1.00 0.00 H new ATOM 0 HA VAL A 571 2.434 0.107 -6.972 1.00 0.00 H new ATOM 0 HB VAL A 571 2.879 -0.499 -9.920 1.00 0.00 H new ATOM 0 HG11 VAL A 571 1.610 1.581 -10.280 1.00 0.00 H new ATOM 0 HG12 VAL A 571 0.647 0.357 -9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 571 1.355 1.723 -8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 571 4.059 1.659 -10.010 1.00 0.00 H new ATOM 0 HG22 VAL A 571 3.915 1.806 -8.242 1.00 0.00 H new ATOM 0 HG23 VAL A 571 4.887 0.493 -8.949 1.00 0.00 H new ATOM 100 N TRP A 572 0.630 -1.597 -6.900 1.00 0.00 N ATOM 101 CA TRP A 572 -0.518 -2.494 -6.884 1.00 0.00 C ATOM 102 C TRP A 572 -1.813 -1.694 -6.756 1.00 0.00 C ATOM 103 O TRP A 572 -1.933 -0.828 -5.891 1.00 0.00 O ATOM 104 CB TRP A 572 -0.386 -3.501 -5.730 1.00 0.00 C ATOM 105 CG TRP A 572 -1.693 -3.882 -5.097 1.00 0.00 C ATOM 106 CD1 TRP A 572 -2.485 -4.946 -5.422 1.00 0.00 C ATOM 107 CD2 TRP A 572 -2.361 -3.194 -4.032 1.00 0.00 C ATOM 108 NE1 TRP A 572 -3.605 -4.961 -4.624 1.00 0.00 N ATOM 109 CE2 TRP A 572 -3.551 -3.897 -3.763 1.00 0.00 C ATOM 110 CE3 TRP A 572 -2.067 -2.054 -3.280 1.00 0.00 C ATOM 111 CZ2 TRP A 572 -4.446 -3.492 -2.773 1.00 0.00 C ATOM 112 CZ3 TRP A 572 -2.956 -1.655 -2.300 1.00 0.00 C ATOM 113 CH2 TRP A 572 -4.132 -2.374 -2.055 1.00 0.00 C ATOM 0 H TRP A 572 0.703 -0.995 -6.080 1.00 0.00 H new ATOM 0 HA TRP A 572 -0.548 -3.046 -7.823 1.00 0.00 H new ATOM 0 HB2 TRP A 572 0.102 -4.402 -6.102 1.00 0.00 H new ATOM 0 HB3 TRP A 572 0.266 -3.078 -4.966 1.00 0.00 H new ATOM 0 HD1 TRP A 572 -2.264 -5.670 -6.193 1.00 0.00 H new ATOM 0 HE1 TRP A 572 -4.354 -5.652 -4.666 1.00 0.00 H new ATOM 0 HE3 TRP A 572 -1.161 -1.494 -3.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 572 -5.355 -4.043 -2.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 572 -2.740 -0.774 -1.714 1.00 0.00 H new ATOM 0 HH2 TRP A 572 -4.806 -2.037 -1.281 1.00 0.00 H new ATOM 124 N THR A 573 -2.777 -1.992 -7.619 1.00 0.00 N ATOM 125 CA THR A 573 -4.058 -1.297 -7.589 1.00 0.00 C ATOM 126 C THR A 573 -5.069 -2.057 -6.741 1.00 0.00 C ATOM 127 O THR A 573 -5.400 -3.206 -7.029 1.00 0.00 O ATOM 128 CB THR A 573 -4.599 -1.104 -9.006 1.00 0.00 C ATOM 129 OG1 THR A 573 -3.563 -0.720 -9.892 1.00 0.00 O ATOM 130 CG2 THR A 573 -5.687 -0.053 -9.087 1.00 0.00 C ATOM 0 H THR A 573 -2.697 -2.705 -8.344 1.00 0.00 H new ATOM 0 HA THR A 573 -3.898 -0.317 -7.139 1.00 0.00 H new ATOM 0 HB THR A 573 -5.021 -2.068 -9.291 1.00 0.00 H new ATOM 0 HG1 THR A 573 -3.930 -0.603 -10.793 1.00 0.00 H new ATOM 0 HG21 THR A 573 -6.030 0.037 -10.118 1.00 0.00 H new ATOM 0 HG22 THR A 573 -6.523 -0.345 -8.451 1.00 0.00 H new ATOM 0 HG23 THR A 573 -5.292 0.906 -8.750 1.00 0.00 H new ATOM 138 N ALA A 574 -5.553 -1.404 -5.691 1.00 0.00 N ATOM 139 CA ALA A 574 -6.525 -2.013 -4.795 1.00 0.00 C ATOM 140 C ALA A 574 -7.836 -2.302 -5.516 1.00 0.00 C ATOM 141 O ALA A 574 -8.584 -1.387 -5.855 1.00 0.00 O ATOM 142 CB ALA A 574 -6.770 -1.109 -3.594 1.00 0.00 C ATOM 0 H ALA A 574 -5.287 -0.452 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 574 -6.117 -2.962 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 574 -7.499 -1.575 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 574 -5.834 -0.957 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 574 -7.152 -0.147 -3.935 1.00 0.00 H new ATOM 148 N THR A 575 -8.117 -3.580 -5.741 1.00 0.00 N ATOM 149 CA THR A 575 -9.350 -3.978 -6.411 1.00 0.00 C ATOM 150 C THR A 575 -10.540 -3.771 -5.479 1.00 0.00 C ATOM 151 O THR A 575 -11.662 -3.532 -5.926 1.00 0.00 O ATOM 152 CB THR A 575 -9.272 -5.439 -6.856 1.00 0.00 C ATOM 153 OG1 THR A 575 -8.945 -6.282 -5.765 1.00 0.00 O ATOM 154 CG2 THR A 575 -8.248 -5.675 -7.947 1.00 0.00 C ATOM 0 H THR A 575 -7.512 -4.355 -5.471 1.00 0.00 H new ATOM 0 HA THR A 575 -9.482 -3.357 -7.297 1.00 0.00 H new ATOM 0 HB THR A 575 -10.261 -5.675 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 575 -8.902 -7.212 -6.071 1.00 0.00 H new ATOM 0 HG21 THR A 575 -8.242 -6.731 -8.218 1.00 0.00 H new ATOM 0 HG22 THR A 575 -8.504 -5.077 -8.822 1.00 0.00 H new ATOM 0 HG23 THR A 575 -7.260 -5.387 -7.587 1.00 0.00 H new ATOM 162 N THR A 576 -10.275 -3.854 -4.180 1.00 0.00 N ATOM 163 CA THR A 576 -11.301 -3.667 -3.163 1.00 0.00 C ATOM 164 C THR A 576 -10.787 -2.732 -2.072 1.00 0.00 C ATOM 165 O THR A 576 -9.581 -2.520 -1.950 1.00 0.00 O ATOM 166 CB THR A 576 -11.700 -5.013 -2.557 1.00 0.00 C ATOM 167 OG1 THR A 576 -10.564 -5.842 -2.386 1.00 0.00 O ATOM 168 CG2 THR A 576 -12.700 -5.776 -3.399 1.00 0.00 C ATOM 0 H THR A 576 -9.348 -4.052 -3.804 1.00 0.00 H new ATOM 0 HA THR A 576 -12.180 -3.221 -3.628 1.00 0.00 H new ATOM 0 HB THR A 576 -12.163 -4.773 -1.600 1.00 0.00 H new ATOM 0 HG1 THR A 576 -10.839 -6.698 -1.996 1.00 0.00 H new ATOM 0 HG21 THR A 576 -12.940 -6.721 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 576 -13.609 -5.184 -3.510 1.00 0.00 H new ATOM 0 HG23 THR A 576 -12.273 -5.973 -4.382 1.00 0.00 H new ATOM 176 N PRO A 577 -11.689 -2.158 -1.258 1.00 0.00 N ATOM 177 CA PRO A 577 -11.304 -1.249 -0.177 1.00 0.00 C ATOM 178 C PRO A 577 -10.159 -1.809 0.662 1.00 0.00 C ATOM 179 O PRO A 577 -10.333 -2.783 1.393 1.00 0.00 O ATOM 180 CB PRO A 577 -12.580 -1.115 0.670 1.00 0.00 C ATOM 181 CG PRO A 577 -13.549 -2.110 0.113 1.00 0.00 C ATOM 182 CD PRO A 577 -13.141 -2.346 -1.312 1.00 0.00 C ATOM 0 HA PRO A 577 -10.941 -0.295 -0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 577 -12.374 -1.317 1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 577 -12.982 -0.104 0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 577 -13.523 -3.039 0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 577 -14.569 -1.731 0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 577 -13.409 -3.347 -1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 577 -13.617 -1.641 -1.993 1.00 0.00 H new ATOM 190 N THR A 578 -8.989 -1.190 0.546 1.00 0.00 N ATOM 191 CA THR A 578 -7.814 -1.632 1.290 1.00 0.00 C ATOM 192 C THR A 578 -7.208 -0.485 2.098 1.00 0.00 C ATOM 193 O THR A 578 -6.986 0.607 1.575 1.00 0.00 O ATOM 194 CB THR A 578 -6.768 -2.221 0.336 1.00 0.00 C ATOM 195 OG1 THR A 578 -7.284 -3.359 -0.330 1.00 0.00 O ATOM 196 CG2 THR A 578 -5.489 -2.639 1.031 1.00 0.00 C ATOM 0 H THR A 578 -8.829 -0.382 -0.055 1.00 0.00 H new ATOM 0 HA THR A 578 -8.131 -2.407 1.988 1.00 0.00 H new ATOM 0 HB THR A 578 -6.536 -1.421 -0.367 1.00 0.00 H new ATOM 0 HG1 THR A 578 -8.055 -3.097 -0.876 1.00 0.00 H new ATOM 0 HG21 THR A 578 -4.793 -3.047 0.298 1.00 0.00 H new ATOM 0 HG22 THR A 578 -5.039 -1.773 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.713 -3.398 1.780 1.00 0.00 H new ATOM 204 N TYR A 579 -6.946 -0.747 3.376 1.00 0.00 N ATOM 205 CA TYR A 579 -6.365 0.254 4.268 1.00 0.00 C ATOM 206 C TYR A 579 -4.844 0.284 4.137 1.00 0.00 C ATOM 207 O TYR A 579 -4.228 -0.702 3.732 1.00 0.00 O ATOM 208 CB TYR A 579 -6.757 -0.049 5.716 1.00 0.00 C ATOM 209 CG TYR A 579 -8.252 -0.112 5.930 1.00 0.00 C ATOM 210 CD1 TYR A 579 -9.069 0.929 5.518 1.00 0.00 C ATOM 211 CD2 TYR A 579 -8.845 -1.212 6.536 1.00 0.00 C ATOM 212 CE1 TYR A 579 -10.436 0.881 5.702 1.00 0.00 C ATOM 213 CE2 TYR A 579 -10.213 -1.270 6.725 1.00 0.00 C ATOM 214 CZ TYR A 579 -11.004 -0.220 6.306 1.00 0.00 C ATOM 215 OH TYR A 579 -12.367 -0.273 6.491 1.00 0.00 O ATOM 0 H TYR A 579 -7.128 -1.648 3.819 1.00 0.00 H new ATOM 0 HA TYR A 579 -6.753 1.232 3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 579 -6.314 -0.999 6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 579 -6.336 0.717 6.367 1.00 0.00 H new ATOM 0 HD1 TYR A 579 -8.628 1.794 5.044 1.00 0.00 H new ATOM 0 HD2 TYR A 579 -8.228 -2.035 6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 579 -11.057 1.702 5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 579 -10.660 -2.132 7.198 1.00 0.00 H new ATOM 0 HH TYR A 579 -12.605 -1.117 6.929 1.00 0.00 H new ATOM 225 N CYS A 580 -4.246 1.418 4.486 1.00 0.00 N ATOM 226 CA CYS A 580 -2.798 1.575 4.411 1.00 0.00 C ATOM 227 C CYS A 580 -2.128 1.054 5.677 1.00 0.00 C ATOM 228 O CYS A 580 -2.431 1.499 6.780 1.00 0.00 O ATOM 229 CB CYS A 580 -2.435 3.046 4.195 1.00 0.00 C ATOM 230 SG CYS A 580 -0.675 3.339 3.912 1.00 0.00 S ATOM 0 H CYS A 580 -4.742 2.243 4.824 1.00 0.00 H new ATOM 0 HA CYS A 580 -2.437 0.991 3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 580 -2.997 3.426 3.342 1.00 0.00 H new ATOM 0 HB3 CYS A 580 -2.752 3.619 5.066 1.00 0.00 H new ATOM 235 N TYR A 581 -1.211 0.109 5.509 1.00 0.00 N ATOM 236 CA TYR A 581 -0.496 -0.472 6.639 1.00 0.00 C ATOM 237 C TYR A 581 0.345 0.580 7.366 1.00 0.00 C ATOM 238 O TYR A 581 0.820 0.345 8.477 1.00 0.00 O ATOM 239 CB TYR A 581 0.404 -1.611 6.157 1.00 0.00 C ATOM 240 CG TYR A 581 0.294 -2.864 6.993 1.00 0.00 C ATOM 241 CD1 TYR A 581 -0.929 -3.495 7.171 1.00 0.00 C ATOM 242 CD2 TYR A 581 1.413 -3.414 7.603 1.00 0.00 C ATOM 243 CE1 TYR A 581 -1.035 -4.643 7.935 1.00 0.00 C ATOM 244 CE2 TYR A 581 1.317 -4.560 8.370 1.00 0.00 C ATOM 245 CZ TYR A 581 0.091 -5.170 8.533 1.00 0.00 C ATOM 246 OH TYR A 581 -0.010 -6.312 9.294 1.00 0.00 O ATOM 0 H TYR A 581 -0.945 -0.272 4.601 1.00 0.00 H new ATOM 0 HA TYR A 581 -1.234 -0.861 7.340 1.00 0.00 H new ATOM 0 HB2 TYR A 581 0.151 -1.850 5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 581 1.440 -1.271 6.161 1.00 0.00 H new ATOM 0 HD1 TYR A 581 -1.812 -3.083 6.706 1.00 0.00 H new ATOM 0 HD2 TYR A 581 2.374 -2.939 7.476 1.00 0.00 H new ATOM 0 HE1 TYR A 581 -1.994 -5.124 8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 581 2.197 -4.975 8.839 1.00 0.00 H new ATOM 0 HH TYR A 581 0.874 -6.552 9.643 1.00 0.00 H new ATOM 256 N GLU A 582 0.535 1.731 6.728 1.00 0.00 N ATOM 257 CA GLU A 582 1.331 2.807 7.312 1.00 0.00 C ATOM 258 C GLU A 582 0.483 3.745 8.171 1.00 0.00 C ATOM 259 O GLU A 582 0.770 3.943 9.352 1.00 0.00 O ATOM 260 CB GLU A 582 2.026 3.605 6.207 1.00 0.00 C ATOM 261 CG GLU A 582 3.060 4.592 6.725 1.00 0.00 C ATOM 262 CD GLU A 582 2.433 5.841 7.313 1.00 0.00 C ATOM 263 OE1 GLU A 582 1.534 6.415 6.662 1.00 0.00 O ATOM 264 OE2 GLU A 582 2.840 6.245 8.422 1.00 0.00 O ATOM 0 H GLU A 582 0.149 1.943 5.808 1.00 0.00 H new ATOM 0 HA GLU A 582 2.077 2.347 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 582 2.511 2.911 5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 582 1.274 4.147 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 582 3.672 4.106 7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 582 3.727 4.874 5.910 1.00 0.00 H new ATOM 271 N CYS A 583 -0.547 4.336 7.573 1.00 0.00 N ATOM 272 CA CYS A 583 -1.412 5.269 8.294 1.00 0.00 C ATOM 273 C CYS A 583 -2.823 4.714 8.487 1.00 0.00 C ATOM 274 O CYS A 583 -3.737 5.451 8.856 1.00 0.00 O ATOM 275 CB CYS A 583 -1.482 6.602 7.547 1.00 0.00 C ATOM 276 SG CYS A 583 -2.191 6.481 5.889 1.00 0.00 S ATOM 0 H CYS A 583 -0.804 4.188 6.597 1.00 0.00 H new ATOM 0 HA CYS A 583 -0.976 5.419 9.282 1.00 0.00 H new ATOM 0 HB2 CYS A 583 -2.074 7.304 8.134 1.00 0.00 H new ATOM 0 HB3 CYS A 583 -0.477 7.017 7.472 1.00 0.00 H new ATOM 281 N GLU A 584 -2.999 3.419 8.242 1.00 0.00 N ATOM 282 CA GLU A 584 -4.306 2.782 8.395 1.00 0.00 C ATOM 283 C GLU A 584 -5.402 3.606 7.722 1.00 0.00 C ATOM 284 O GLU A 584 -6.422 3.922 8.336 1.00 0.00 O ATOM 285 CB GLU A 584 -4.629 2.593 9.879 1.00 0.00 C ATOM 286 CG GLU A 584 -3.556 1.835 10.643 1.00 0.00 C ATOM 287 CD GLU A 584 -3.479 2.245 12.101 1.00 0.00 C ATOM 288 OE1 GLU A 584 -4.546 2.432 12.722 1.00 0.00 O ATOM 289 OE2 GLU A 584 -2.351 2.378 12.621 1.00 0.00 O ATOM 0 H GLU A 584 -2.256 2.790 7.937 1.00 0.00 H new ATOM 0 HA GLU A 584 -4.266 1.807 7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 584 -4.769 3.571 10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 584 -5.575 2.059 9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 584 -3.757 0.766 10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 584 -2.589 2.006 10.170 1.00 0.00 H new ATOM 296 N GLY A 585 -5.181 3.958 6.459 1.00 0.00 N ATOM 297 CA GLY A 585 -6.155 4.748 5.730 1.00 0.00 C ATOM 298 C GLY A 585 -6.603 4.090 4.438 1.00 0.00 C ATOM 299 O GLY A 585 -5.787 3.787 3.568 1.00 0.00 O ATOM 0 H GLY A 585 -4.346 3.710 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 585 -7.024 4.919 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 585 -5.727 5.725 5.505 1.00 0.00 H new ATOM 303 N LEU A 586 -7.910 3.878 4.316 1.00 0.00 N ATOM 304 CA LEU A 586 -8.495 3.262 3.130 1.00 0.00 C ATOM 305 C LEU A 586 -7.933 3.878 1.851 1.00 0.00 C ATOM 306 O LEU A 586 -7.831 5.098 1.731 1.00 0.00 O ATOM 307 CB LEU A 586 -10.014 3.423 3.163 1.00 0.00 C ATOM 308 CG LEU A 586 -10.768 2.639 2.093 1.00 0.00 C ATOM 309 CD1 LEU A 586 -10.858 1.169 2.471 1.00 0.00 C ATOM 310 CD2 LEU A 586 -12.157 3.224 1.886 1.00 0.00 C ATOM 0 H LEU A 586 -8.591 4.127 5.033 1.00 0.00 H new ATOM 0 HA LEU A 586 -8.239 2.203 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -10.376 3.112 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -10.255 4.481 3.055 1.00 0.00 H new ATOM 0 HG LEU A 586 -10.217 2.718 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -11.399 0.626 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -9.854 0.756 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -11.386 1.069 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -12.682 2.653 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -12.715 3.175 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -12.071 4.263 1.569 1.00 0.00 H new ATOM 322 N LEU A 587 -7.571 3.024 0.897 1.00 0.00 N ATOM 323 CA LEU A 587 -7.020 3.482 -0.375 1.00 0.00 C ATOM 324 C LEU A 587 -8.118 3.611 -1.426 1.00 0.00 C ATOM 325 O LEU A 587 -7.914 3.285 -2.596 1.00 0.00 O ATOM 326 CB LEU A 587 -5.941 2.516 -0.867 1.00 0.00 C ATOM 327 CG LEU A 587 -4.633 2.541 -0.069 1.00 0.00 C ATOM 328 CD1 LEU A 587 -4.466 1.256 0.728 1.00 0.00 C ATOM 329 CD2 LEU A 587 -3.446 2.753 -0.996 1.00 0.00 C ATOM 0 H LEU A 587 -7.649 2.011 0.981 1.00 0.00 H new ATOM 0 HA LEU A 587 -6.573 4.463 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 587 -6.344 1.503 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 587 -5.717 2.746 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 587 -4.675 3.375 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -3.531 1.294 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 587 -5.300 1.147 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -4.447 0.405 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 587 -2.526 2.768 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 587 -3.402 1.941 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 587 -3.558 3.702 -1.520 1.00 0.00 H new ATOM 341 N TRP A 588 -9.281 4.089 -1.000 1.00 0.00 N ATOM 342 CA TRP A 588 -10.416 4.261 -1.899 1.00 0.00 C ATOM 343 C TRP A 588 -10.675 5.740 -2.168 1.00 0.00 C ATOM 344 O TRP A 588 -9.850 6.594 -1.841 1.00 0.00 O ATOM 345 CB TRP A 588 -11.665 3.607 -1.301 1.00 0.00 C ATOM 346 CG TRP A 588 -12.327 2.643 -2.234 1.00 0.00 C ATOM 347 CD1 TRP A 588 -13.664 2.516 -2.475 1.00 0.00 C ATOM 348 CD2 TRP A 588 -11.677 1.668 -3.050 1.00 0.00 C ATOM 349 NE1 TRP A 588 -13.883 1.521 -3.398 1.00 0.00 N ATOM 350 CE2 TRP A 588 -12.676 0.985 -3.766 1.00 0.00 C ATOM 351 CE3 TRP A 588 -10.342 1.309 -3.245 1.00 0.00 C ATOM 352 CZ2 TRP A 588 -12.381 -0.036 -4.664 1.00 0.00 C ATOM 353 CZ3 TRP A 588 -10.050 0.296 -4.134 1.00 0.00 C ATOM 354 CH2 TRP A 588 -11.064 -0.367 -4.835 1.00 0.00 C ATOM 0 H TRP A 588 -9.463 4.365 -0.035 1.00 0.00 H new ATOM 0 HA TRP A 588 -10.180 3.777 -2.847 1.00 0.00 H new ATOM 0 HB2 TRP A 588 -11.391 3.086 -0.384 1.00 0.00 H new ATOM 0 HB3 TRP A 588 -12.378 4.384 -1.025 1.00 0.00 H new ATOM 0 HD1 TRP A 588 -14.437 3.110 -2.009 1.00 0.00 H new ATOM 0 HE1 TRP A 588 -14.794 1.229 -3.751 1.00 0.00 H new ATOM 0 HE3 TRP A 588 -9.553 1.815 -2.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 588 -13.162 -0.548 -5.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 588 -9.021 0.009 -4.292 1.00 0.00 H new ATOM 0 HH2 TRP A 588 -10.802 -1.156 -5.525 1.00 0.00 H new ATOM 365 N GLY A 589 -11.825 6.037 -2.766 1.00 0.00 N ATOM 366 CA GLY A 589 -12.169 7.414 -3.068 1.00 0.00 C ATOM 367 C GLY A 589 -12.181 7.696 -4.557 1.00 0.00 C ATOM 368 O GLY A 589 -13.243 7.772 -5.173 1.00 0.00 O ATOM 0 H GLY A 589 -12.524 5.349 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 589 -13.150 7.640 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 589 -11.455 8.079 -2.581 1.00 0.00 H new ATOM 372 N ILE A 590 -10.995 7.852 -5.136 1.00 0.00 N ATOM 373 CA ILE A 590 -10.871 8.129 -6.562 1.00 0.00 C ATOM 374 C ILE A 590 -9.887 7.172 -7.223 1.00 0.00 C ATOM 375 O ILE A 590 -10.254 6.409 -8.117 1.00 0.00 O ATOM 376 CB ILE A 590 -10.413 9.579 -6.815 1.00 0.00 C ATOM 377 CG1 ILE A 590 -11.321 10.560 -6.073 1.00 0.00 C ATOM 378 CG2 ILE A 590 -10.403 9.881 -8.307 1.00 0.00 C ATOM 379 CD1 ILE A 590 -10.913 10.790 -4.634 1.00 0.00 C ATOM 0 H ILE A 590 -10.106 7.791 -4.639 1.00 0.00 H new ATOM 0 HA ILE A 590 -11.859 7.988 -7.000 1.00 0.00 H new ATOM 0 HB ILE A 590 -9.398 9.694 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 590 -11.319 11.514 -6.600 1.00 0.00 H new ATOM 0 HG13 ILE A 590 -12.344 10.185 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 590 -10.077 10.909 -8.468 1.00 0.00 H new ATOM 0 HG22 ILE A 590 -9.718 9.200 -8.812 1.00 0.00 H new ATOM 0 HG23 ILE A 590 -11.407 9.751 -8.711 1.00 0.00 H new ATOM 0 HD11 ILE A 590 -11.601 11.496 -4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 590 -10.942 9.845 -4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 590 -9.901 11.195 -4.603 1.00 0.00 H new ATOM 391 N ALA A 591 -8.635 7.220 -6.782 1.00 0.00 N ATOM 392 CA ALA A 591 -7.602 6.356 -7.338 1.00 0.00 C ATOM 393 C ALA A 591 -7.324 5.171 -6.423 1.00 0.00 C ATOM 394 O ALA A 591 -6.468 5.239 -5.541 1.00 0.00 O ATOM 395 CB ALA A 591 -6.324 7.143 -7.584 1.00 0.00 C ATOM 0 H ALA A 591 -8.312 7.846 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 591 -7.966 5.970 -8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 591 -5.564 6.482 -7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 591 -6.524 7.952 -8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 591 -5.967 7.560 -6.643 1.00 0.00 H new ATOM 401 N ARG A 592 -8.051 4.082 -6.647 1.00 0.00 N ATOM 402 CA ARG A 592 -7.883 2.869 -5.850 1.00 0.00 C ATOM 403 C ARG A 592 -6.426 2.409 -5.848 1.00 0.00 C ATOM 404 O ARG A 592 -6.000 1.677 -4.955 1.00 0.00 O ATOM 405 CB ARG A 592 -8.779 1.755 -6.390 1.00 0.00 C ATOM 406 CG ARG A 592 -8.821 1.681 -7.909 1.00 0.00 C ATOM 407 CD ARG A 592 -9.342 0.336 -8.389 1.00 0.00 C ATOM 408 NE ARG A 592 -10.366 0.484 -9.420 1.00 0.00 N ATOM 409 CZ ARG A 592 -11.637 0.785 -9.165 1.00 0.00 C ATOM 410 NH1 ARG A 592 -12.045 0.971 -7.915 1.00 0.00 N ATOM 411 NH2 ARG A 592 -12.504 0.901 -10.162 1.00 0.00 N ATOM 0 H ARG A 592 -8.763 4.013 -7.374 1.00 0.00 H new ATOM 0 HA ARG A 592 -8.171 3.097 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -8.430 0.799 -5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -9.792 1.902 -6.015 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -9.457 2.477 -8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -7.821 1.849 -8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -8.514 -0.255 -8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -9.755 -0.216 -7.544 1.00 0.00 H new ATOM 0 HE ARG A 592 -10.091 0.349 -10.393 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -11.383 0.883 -7.144 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -13.020 1.202 -7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -12.197 0.759 -11.124 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -13.478 1.132 -9.966 1.00 0.00 H new ATOM 425 N GLN A 593 -5.667 2.842 -6.856 1.00 0.00 N ATOM 426 CA GLN A 593 -4.257 2.478 -6.981 1.00 0.00 C ATOM 427 C GLN A 593 -3.532 2.558 -5.638 1.00 0.00 C ATOM 428 O GLN A 593 -3.936 3.302 -4.746 1.00 0.00 O ATOM 429 CB GLN A 593 -3.566 3.389 -7.997 1.00 0.00 C ATOM 430 CG GLN A 593 -2.384 2.735 -8.696 1.00 0.00 C ATOM 431 CD GLN A 593 -2.418 2.921 -10.200 1.00 0.00 C ATOM 432 OE1 GLN A 593 -2.940 3.916 -10.703 1.00 0.00 O ATOM 433 NE2 GLN A 593 -1.860 1.961 -10.928 1.00 0.00 N ATOM 0 H GLN A 593 -6.009 3.449 -7.601 1.00 0.00 H new ATOM 0 HA GLN A 593 -4.213 1.445 -7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -4.293 3.701 -8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -3.224 4.291 -7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -1.458 3.154 -8.303 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -2.375 1.670 -8.466 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -1.438 1.153 -10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -1.853 2.031 -11.946 1.00 0.00 H new ATOM 442 N GLY A 594 -2.456 1.785 -5.505 1.00 0.00 N ATOM 443 CA GLY A 594 -1.690 1.781 -4.272 1.00 0.00 C ATOM 444 C GLY A 594 -0.355 1.076 -4.415 1.00 0.00 C ATOM 445 O GLY A 594 0.119 0.844 -5.528 1.00 0.00 O ATOM 0 H GLY A 594 -2.102 1.161 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -1.521 2.809 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -2.272 1.294 -3.489 1.00 0.00 H new ATOM 449 N MET A 595 0.248 0.735 -3.283 1.00 0.00 N ATOM 450 CA MET A 595 1.535 0.050 -3.267 1.00 0.00 C ATOM 451 C MET A 595 1.468 -1.182 -2.370 1.00 0.00 C ATOM 452 O MET A 595 0.784 -1.172 -1.349 1.00 0.00 O ATOM 453 CB MET A 595 2.626 0.999 -2.769 1.00 0.00 C ATOM 454 CG MET A 595 2.962 2.110 -3.749 1.00 0.00 C ATOM 455 SD MET A 595 3.832 1.507 -5.208 1.00 0.00 S ATOM 456 CE MET A 595 5.131 0.540 -4.446 1.00 0.00 C ATOM 0 H MET A 595 -0.137 0.923 -2.357 1.00 0.00 H new ATOM 0 HA MET A 595 1.775 -0.268 -4.282 1.00 0.00 H new ATOM 0 HB2 MET A 595 2.307 1.443 -1.826 1.00 0.00 H new ATOM 0 HB3 MET A 595 3.529 0.424 -2.562 1.00 0.00 H new ATOM 0 HG2 MET A 595 2.043 2.607 -4.058 1.00 0.00 H new ATOM 0 HG3 MET A 595 3.576 2.858 -3.248 1.00 0.00 H new ATOM 0 HE1 MET A 595 5.911 0.337 -5.179 1.00 0.00 H new ATOM 0 HE2 MET A 595 5.555 1.095 -3.609 1.00 0.00 H new ATOM 0 HE3 MET A 595 4.719 -0.402 -4.085 1.00 0.00 H new ATOM 466 N ARG A 596 2.170 -2.244 -2.752 1.00 0.00 N ATOM 467 CA ARG A 596 2.164 -3.471 -1.966 1.00 0.00 C ATOM 468 C ARG A 596 3.511 -4.185 -2.042 1.00 0.00 C ATOM 469 O ARG A 596 4.136 -4.247 -3.100 1.00 0.00 O ATOM 470 CB ARG A 596 1.039 -4.391 -2.455 1.00 0.00 C ATOM 471 CG ARG A 596 1.135 -5.831 -1.969 1.00 0.00 C ATOM 472 CD ARG A 596 0.511 -6.783 -2.973 1.00 0.00 C ATOM 473 NE ARG A 596 0.480 -8.160 -2.483 1.00 0.00 N ATOM 474 CZ ARG A 596 1.445 -9.052 -2.700 1.00 0.00 C ATOM 475 NH1 ARG A 596 2.532 -8.718 -3.384 1.00 0.00 N ATOM 476 NH2 ARG A 596 1.325 -10.285 -2.225 1.00 0.00 N ATOM 0 H ARG A 596 2.745 -2.280 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 596 1.988 -3.212 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 596 0.084 -3.976 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 596 1.036 -4.390 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 596 2.180 -6.097 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 596 0.632 -5.929 -1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -0.504 -6.456 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 596 1.073 -6.744 -3.906 1.00 0.00 H new ATOM 0 HE ARG A 596 -0.332 -8.456 -1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 596 2.634 -7.771 -3.749 1.00 0.00 H new ATOM 0 HH12 ARG A 596 3.265 -9.408 -3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 596 0.495 -10.549 -1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 596 2.063 -10.969 -2.390 1.00 0.00 H new ATOM 490 N CYS A 597 3.943 -4.734 -0.910 1.00 0.00 N ATOM 491 CA CYS A 597 5.206 -5.458 -0.842 1.00 0.00 C ATOM 492 C CYS A 597 5.064 -6.836 -1.481 1.00 0.00 C ATOM 493 O CYS A 597 4.025 -7.485 -1.351 1.00 0.00 O ATOM 494 CB CYS A 597 5.656 -5.597 0.615 1.00 0.00 C ATOM 495 SG CYS A 597 7.215 -6.486 0.830 1.00 0.00 S ATOM 0 H CYS A 597 3.435 -4.690 -0.027 1.00 0.00 H new ATOM 0 HA CYS A 597 5.960 -4.895 -1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 597 5.756 -4.602 1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 597 4.877 -6.113 1.176 1.00 0.00 H new ATOM 500 N THR A 598 6.110 -7.279 -2.171 1.00 0.00 N ATOM 501 CA THR A 598 6.094 -8.582 -2.828 1.00 0.00 C ATOM 502 C THR A 598 6.802 -9.624 -1.972 1.00 0.00 C ATOM 503 O THR A 598 7.402 -10.567 -2.489 1.00 0.00 O ATOM 504 CB THR A 598 6.758 -8.496 -4.203 1.00 0.00 C ATOM 505 OG1 THR A 598 8.164 -8.381 -4.075 1.00 0.00 O ATOM 506 CG2 THR A 598 6.274 -7.326 -5.032 1.00 0.00 C ATOM 0 H THR A 598 6.978 -6.756 -2.290 1.00 0.00 H new ATOM 0 HA THR A 598 5.055 -8.885 -2.957 1.00 0.00 H new ATOM 0 HB THR A 598 6.482 -9.419 -4.714 1.00 0.00 H new ATOM 0 HG1 THR A 598 8.570 -8.329 -4.965 1.00 0.00 H new ATOM 0 HG21 THR A 598 6.786 -7.325 -5.994 1.00 0.00 H new ATOM 0 HG22 THR A 598 5.199 -7.414 -5.193 1.00 0.00 H new ATOM 0 HG23 THR A 598 6.488 -6.395 -4.507 1.00 0.00 H new ATOM 514 N GLU A 599 6.733 -9.444 -0.659 1.00 0.00 N ATOM 515 CA GLU A 599 7.370 -10.364 0.276 1.00 0.00 C ATOM 516 C GLU A 599 6.480 -10.626 1.486 1.00 0.00 C ATOM 517 O GLU A 599 6.395 -11.755 1.970 1.00 0.00 O ATOM 518 CB GLU A 599 8.720 -9.806 0.736 1.00 0.00 C ATOM 519 CG GLU A 599 9.455 -9.018 -0.336 1.00 0.00 C ATOM 520 CD GLU A 599 10.958 -9.030 -0.142 1.00 0.00 C ATOM 521 OE1 GLU A 599 11.470 -9.992 0.468 1.00 0.00 O ATOM 522 OE2 GLU A 599 11.623 -8.077 -0.599 1.00 0.00 O ATOM 0 H GLU A 599 6.241 -8.668 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 599 7.530 -11.309 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 599 8.561 -9.163 1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 599 9.351 -10.632 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 599 9.216 -9.433 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 599 9.100 -7.987 -0.331 1.00 0.00 H new ATOM 529 N CYS A 600 5.820 -9.580 1.975 1.00 0.00 N ATOM 530 CA CYS A 600 4.942 -9.707 3.134 1.00 0.00 C ATOM 531 C CYS A 600 3.481 -9.523 2.740 1.00 0.00 C ATOM 532 O CYS A 600 2.577 -9.950 3.458 1.00 0.00 O ATOM 533 CB CYS A 600 5.326 -8.685 4.204 1.00 0.00 C ATOM 534 SG CYS A 600 7.105 -8.560 4.500 1.00 0.00 S ATOM 0 H CYS A 600 5.876 -8.638 1.588 1.00 0.00 H new ATOM 0 HA CYS A 600 5.063 -10.712 3.538 1.00 0.00 H new ATOM 0 HB2 CYS A 600 4.948 -7.706 3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 600 4.831 -8.949 5.138 1.00 0.00 H new ATOM 539 N GLY A 601 3.253 -8.884 1.596 1.00 0.00 N ATOM 540 CA GLY A 601 1.897 -8.657 1.135 1.00 0.00 C ATOM 541 C GLY A 601 1.325 -7.339 1.625 1.00 0.00 C ATOM 542 O GLY A 601 0.219 -6.957 1.241 1.00 0.00 O ATOM 0 H GLY A 601 3.982 -8.521 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 601 1.881 -8.673 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 601 1.260 -9.474 1.475 1.00 0.00 H new ATOM 546 N VAL A 602 2.076 -6.638 2.475 1.00 0.00 N ATOM 547 CA VAL A 602 1.630 -5.356 3.010 1.00 0.00 C ATOM 548 C VAL A 602 1.258 -4.396 1.886 1.00 0.00 C ATOM 549 O VAL A 602 1.870 -4.413 0.821 1.00 0.00 O ATOM 550 CB VAL A 602 2.715 -4.705 3.893 1.00 0.00 C ATOM 551 CG1 VAL A 602 3.972 -4.410 3.083 1.00 0.00 C ATOM 552 CG2 VAL A 602 2.184 -3.438 4.545 1.00 0.00 C ATOM 0 H VAL A 602 2.993 -6.937 2.806 1.00 0.00 H new ATOM 0 HA VAL A 602 0.750 -5.555 3.622 1.00 0.00 H new ATOM 0 HB VAL A 602 2.981 -5.411 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 602 4.721 -3.951 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 602 4.367 -5.339 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.728 -3.728 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.963 -2.993 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 602 1.885 -2.729 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 602 1.323 -3.682 5.167 1.00 0.00 H new ATOM 562 N LYS A 603 0.252 -3.562 2.129 1.00 0.00 N ATOM 563 CA LYS A 603 -0.192 -2.598 1.129 1.00 0.00 C ATOM 564 C LYS A 603 -0.265 -1.195 1.721 1.00 0.00 C ATOM 565 O LYS A 603 -0.667 -1.014 2.870 1.00 0.00 O ATOM 566 CB LYS A 603 -1.555 -2.997 0.563 1.00 0.00 C ATOM 567 CG LYS A 603 -1.718 -4.495 0.369 1.00 0.00 C ATOM 568 CD LYS A 603 -2.077 -4.847 -1.065 1.00 0.00 C ATOM 569 CE LYS A 603 -3.294 -5.758 -1.129 1.00 0.00 C ATOM 570 NZ LYS A 603 -2.966 -7.153 -0.721 1.00 0.00 N ATOM 0 H LYS A 603 -0.269 -3.534 3.005 1.00 0.00 H new ATOM 0 HA LYS A 603 0.538 -2.596 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 603 -2.336 -2.639 1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 603 -1.702 -2.497 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 603 -0.792 -4.999 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 603 -2.494 -4.865 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 603 -2.275 -3.934 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 603 -1.229 -5.337 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 603 -4.077 -5.365 -0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 603 -3.693 -5.761 -2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 -3.821 -7.742 -0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 -2.238 -7.538 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 -2.610 -7.154 0.256 1.00 0.00 H new ATOM 584 N CYS A 604 0.133 -0.208 0.928 1.00 0.00 N ATOM 585 CA CYS A 604 0.121 1.182 1.370 1.00 0.00 C ATOM 586 C CYS A 604 -0.146 2.127 0.204 1.00 0.00 C ATOM 587 O CYS A 604 -0.274 1.695 -0.942 1.00 0.00 O ATOM 588 CB CYS A 604 1.452 1.539 2.035 1.00 0.00 C ATOM 589 SG CYS A 604 2.898 0.805 1.233 1.00 0.00 S ATOM 0 H CYS A 604 0.469 -0.344 -0.026 1.00 0.00 H new ATOM 0 HA CYS A 604 -0.684 1.296 2.096 1.00 0.00 H new ATOM 0 HB2 CYS A 604 1.564 2.623 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 604 1.424 1.216 3.076 1.00 0.00 H new ATOM 0 HG CYS A 604 3.196 -0.317 1.818 1.00 0.00 H new ATOM 595 N HIS A 605 -0.218 3.420 0.503 1.00 0.00 N ATOM 596 CA HIS A 605 -0.458 4.429 -0.518 1.00 0.00 C ATOM 597 C HIS A 605 0.804 4.654 -1.350 1.00 0.00 C ATOM 598 O HIS A 605 1.853 4.072 -1.071 1.00 0.00 O ATOM 599 CB HIS A 605 -0.910 5.741 0.129 1.00 0.00 C ATOM 600 CG HIS A 605 -2.320 5.704 0.637 1.00 0.00 C ATOM 601 ND1 HIS A 605 -2.642 5.639 1.979 1.00 0.00 N ATOM 602 CD2 HIS A 605 -3.502 5.723 -0.025 1.00 0.00 C ATOM 603 CE1 HIS A 605 -3.955 5.617 2.118 1.00 0.00 C ATOM 604 NE2 HIS A 605 -4.501 5.669 0.917 1.00 0.00 N ATOM 0 H HIS A 605 -0.113 3.793 1.447 1.00 0.00 H new ATOM 0 HA HIS A 605 -1.250 4.075 -1.178 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.241 5.978 0.956 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.816 6.547 -0.599 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -3.635 5.772 -1.096 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -4.491 5.565 3.054 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.502 5.669 0.720 1.00 0.00 H new ATOM 612 N GLU A 606 0.696 5.491 -2.377 1.00 0.00 N ATOM 613 CA GLU A 606 1.829 5.779 -3.253 1.00 0.00 C ATOM 614 C GLU A 606 2.963 6.468 -2.497 1.00 0.00 C ATOM 615 O GLU A 606 4.138 6.209 -2.756 1.00 0.00 O ATOM 616 CB GLU A 606 1.377 6.650 -4.428 1.00 0.00 C ATOM 617 CG GLU A 606 1.776 6.095 -5.786 1.00 0.00 C ATOM 618 CD GLU A 606 0.851 6.553 -6.896 1.00 0.00 C ATOM 619 OE1 GLU A 606 0.599 7.772 -6.996 1.00 0.00 O ATOM 620 OE2 GLU A 606 0.376 5.691 -7.666 1.00 0.00 O ATOM 0 H GLU A 606 -0.163 5.982 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 606 2.208 4.829 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 606 0.293 6.758 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 606 1.801 7.648 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 606 2.795 6.405 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 606 1.776 5.006 -5.744 1.00 0.00 H new ATOM 627 N LYS A 607 2.610 7.353 -1.571 1.00 0.00 N ATOM 628 CA LYS A 607 3.606 8.081 -0.790 1.00 0.00 C ATOM 629 C LYS A 607 3.959 7.330 0.491 1.00 0.00 C ATOM 630 O LYS A 607 5.123 7.280 0.897 1.00 0.00 O ATOM 631 CB LYS A 607 3.088 9.481 -0.450 1.00 0.00 C ATOM 632 CG LYS A 607 4.038 10.290 0.418 1.00 0.00 C ATOM 633 CD LYS A 607 3.931 11.777 0.125 1.00 0.00 C ATOM 634 CE LYS A 607 5.233 12.500 0.433 1.00 0.00 C ATOM 635 NZ LYS A 607 5.542 13.545 -0.582 1.00 0.00 N ATOM 0 H LYS A 607 1.643 7.584 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 607 4.510 8.168 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 607 2.904 10.025 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 607 2.130 9.390 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 607 3.816 10.108 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 607 5.062 9.957 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 607 3.671 11.925 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 607 3.125 12.209 0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 607 5.168 12.960 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 607 6.049 11.778 0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 6.437 14.014 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 5.629 13.103 -1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 4.776 14.248 -0.600 1.00 0.00 H new ATOM 649 N CYS A 608 2.949 6.754 1.129 1.00 0.00 N ATOM 650 CA CYS A 608 3.153 6.014 2.368 1.00 0.00 C ATOM 651 C CYS A 608 4.141 4.866 2.175 1.00 0.00 C ATOM 652 O CYS A 608 4.718 4.370 3.142 1.00 0.00 O ATOM 653 CB CYS A 608 1.820 5.480 2.890 1.00 0.00 C ATOM 654 SG CYS A 608 0.867 6.695 3.830 1.00 0.00 S ATOM 0 H CYS A 608 1.981 6.785 0.810 1.00 0.00 H new ATOM 0 HA CYS A 608 3.575 6.700 3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 608 1.221 5.136 2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 608 2.009 4.612 3.522 1.00 0.00 H new ATOM 659 N GLN A 609 4.341 4.447 0.927 1.00 0.00 N ATOM 660 CA GLN A 609 5.270 3.359 0.632 1.00 0.00 C ATOM 661 C GLN A 609 6.652 3.664 1.201 1.00 0.00 C ATOM 662 O GLN A 609 7.371 2.764 1.635 1.00 0.00 O ATOM 663 CB GLN A 609 5.357 3.123 -0.880 1.00 0.00 C ATOM 664 CG GLN A 609 6.157 4.182 -1.625 1.00 0.00 C ATOM 665 CD GLN A 609 6.333 3.854 -3.094 1.00 0.00 C ATOM 666 OE1 GLN A 609 7.336 3.261 -3.493 1.00 0.00 O ATOM 667 NE2 GLN A 609 5.357 4.237 -3.909 1.00 0.00 N ATOM 0 H GLN A 609 3.876 4.841 0.109 1.00 0.00 H new ATOM 0 HA GLN A 609 4.895 2.451 1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 609 5.808 2.147 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 609 4.348 3.088 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 609 5.655 5.145 -1.529 1.00 0.00 H new ATOM 0 HG3 GLN A 609 7.137 4.286 -1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 609 4.543 4.726 -3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 609 5.421 4.042 -4.908 1.00 0.00 H new ATOM 676 N ASP A 610 7.010 4.943 1.204 1.00 0.00 N ATOM 677 CA ASP A 610 8.298 5.377 1.728 1.00 0.00 C ATOM 678 C ASP A 610 8.184 5.705 3.212 1.00 0.00 C ATOM 679 O ASP A 610 9.122 5.493 3.980 1.00 0.00 O ATOM 680 CB ASP A 610 8.802 6.600 0.959 1.00 0.00 C ATOM 681 CG ASP A 610 10.284 6.843 1.169 1.00 0.00 C ATOM 682 OD1 ASP A 610 11.091 6.297 0.388 1.00 0.00 O ATOM 683 OD2 ASP A 610 10.636 7.581 2.113 1.00 0.00 O ATOM 0 H ASP A 610 6.424 5.699 0.848 1.00 0.00 H new ATOM 0 HA ASP A 610 9.013 4.564 1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.606 6.464 -0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.243 7.481 1.276 1.00 0.00 H new ATOM 688 N LEU A 611 7.025 6.224 3.607 1.00 0.00 N ATOM 689 CA LEU A 611 6.783 6.583 5.000 1.00 0.00 C ATOM 690 C LEU A 611 6.639 5.337 5.870 1.00 0.00 C ATOM 691 O LEU A 611 6.960 5.357 7.058 1.00 0.00 O ATOM 692 CB LEU A 611 5.526 7.446 5.113 1.00 0.00 C ATOM 693 CG LEU A 611 5.533 8.707 4.252 1.00 0.00 C ATOM 694 CD1 LEU A 611 4.128 9.036 3.771 1.00 0.00 C ATOM 695 CD2 LEU A 611 6.122 9.877 5.026 1.00 0.00 C ATOM 0 H LEU A 611 6.239 6.405 2.982 1.00 0.00 H new ATOM 0 HA LEU A 611 7.642 7.153 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 611 4.662 6.841 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 611 5.394 7.736 6.155 1.00 0.00 H new ATOM 0 HG LEU A 611 6.158 8.523 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 611 4.155 9.938 3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 611 3.743 8.206 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 611 3.478 9.200 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 611 6.119 10.767 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 611 5.524 10.061 5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 611 7.146 9.642 5.318 1.00 0.00 H new ATOM 707 N LEU A 612 6.151 4.255 5.270 1.00 0.00 N ATOM 708 CA LEU A 612 5.961 3.000 5.989 1.00 0.00 C ATOM 709 C LEU A 612 7.275 2.501 6.579 1.00 0.00 C ATOM 710 O LEU A 612 8.338 2.665 5.982 1.00 0.00 O ATOM 711 CB LEU A 612 5.374 1.939 5.056 1.00 0.00 C ATOM 712 CG LEU A 612 4.470 0.908 5.733 1.00 0.00 C ATOM 713 CD1 LEU A 612 3.411 0.409 4.761 1.00 0.00 C ATOM 714 CD2 LEU A 612 5.293 -0.255 6.266 1.00 0.00 C ATOM 0 H LEU A 612 5.880 4.223 4.287 1.00 0.00 H new ATOM 0 HA LEU A 612 5.265 3.184 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 612 4.804 2.441 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 612 6.194 1.414 4.566 1.00 0.00 H new ATOM 0 HG LEU A 612 3.969 1.389 6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 612 2.776 -0.324 5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 612 2.802 1.248 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 612 3.895 -0.055 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 612 4.633 -0.979 6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 612 5.821 -0.735 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 612 6.015 0.114 6.994 1.00 0.00 H new ATOM 726 N ASN A 613 7.193 1.888 7.756 1.00 0.00 N ATOM 727 CA ASN A 613 8.375 1.361 8.428 1.00 0.00 C ATOM 728 C ASN A 613 8.988 0.217 7.627 1.00 0.00 C ATOM 729 O ASN A 613 8.549 -0.079 6.515 1.00 0.00 O ATOM 730 CB ASN A 613 8.015 0.880 9.835 1.00 0.00 C ATOM 731 CG ASN A 613 9.110 1.170 10.843 1.00 0.00 C ATOM 732 OD1 ASN A 613 10.296 1.130 10.517 1.00 0.00 O ATOM 733 ND2 ASN A 613 8.716 1.463 12.077 1.00 0.00 N ATOM 0 H ASN A 613 6.320 1.744 8.264 1.00 0.00 H new ATOM 0 HA ASN A 613 9.109 2.163 8.504 1.00 0.00 H new ATOM 0 HB2 ASN A 613 7.092 1.363 10.156 1.00 0.00 H new ATOM 0 HB3 ASN A 613 7.822 -0.192 9.811 1.00 0.00 H new ATOM 0 HD21 ASN A 613 9.408 1.666 12.799 1.00 0.00 H new ATOM 0 HD22 ASN A 613 7.722 1.485 12.303 1.00 0.00 H new ATOM 740 N ALA A 614 10.001 -0.424 8.198 1.00 0.00 N ATOM 741 CA ALA A 614 10.671 -1.536 7.536 1.00 0.00 C ATOM 742 C ALA A 614 10.804 -2.733 8.471 1.00 0.00 C ATOM 743 O ALA A 614 11.049 -2.575 9.667 1.00 0.00 O ATOM 744 CB ALA A 614 12.040 -1.101 7.031 1.00 0.00 C ATOM 0 H ALA A 614 10.376 -0.193 9.118 1.00 0.00 H new ATOM 0 HA ALA A 614 10.062 -1.841 6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 614 12.530 -1.941 6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 614 11.923 -0.282 6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 614 12.649 -0.768 7.871 1.00 0.00 H new ATOM 750 N ASP A 615 10.640 -3.930 7.917 1.00 0.00 N ATOM 751 CA ASP A 615 10.741 -5.155 8.701 1.00 0.00 C ATOM 752 C ASP A 615 10.605 -6.384 7.807 1.00 0.00 C ATOM 753 O ASP A 615 9.971 -7.370 8.180 1.00 0.00 O ATOM 754 CB ASP A 615 9.666 -5.180 9.790 1.00 0.00 C ATOM 755 CG ASP A 615 8.280 -4.908 9.240 1.00 0.00 C ATOM 756 OD1 ASP A 615 8.012 -3.752 8.850 1.00 0.00 O ATOM 757 OD2 ASP A 615 7.461 -5.851 9.200 1.00 0.00 O ATOM 0 H ASP A 615 10.437 -4.077 6.928 1.00 0.00 H new ATOM 0 HA ASP A 615 11.724 -5.176 9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 615 9.674 -6.152 10.282 1.00 0.00 H new ATOM 0 HB3 ASP A 615 9.905 -4.436 10.550 1.00 0.00 H new ATOM 762 N CYS A 616 11.207 -6.315 6.623 1.00 0.00 N ATOM 763 CA CYS A 616 11.155 -7.421 5.675 1.00 0.00 C ATOM 764 C CYS A 616 12.237 -8.452 5.981 1.00 0.00 C ATOM 765 O CYS A 616 13.352 -8.042 6.366 1.00 0.00 O ATOM 766 CB CYS A 616 11.320 -6.901 4.245 1.00 0.00 C ATOM 767 SG CYS A 616 10.438 -7.872 3.001 1.00 0.00 S ATOM 0 H CYS A 616 11.736 -5.505 6.298 1.00 0.00 H new ATOM 0 HA CYS A 616 10.182 -7.903 5.770 1.00 0.00 H new ATOM 0 HB2 CYS A 616 10.969 -5.870 4.202 1.00 0.00 H new ATOM 0 HB3 CYS A 616 12.381 -6.887 3.995 1.00 0.00 H new TER 772 CYS A 616 HETATM 773 ZN ZN A 701 8.074 -7.064 2.967 1.00 0.00 ZN HETATM 774 ZN ZN A 702 -1.184 5.644 3.747 1.00 0.00 ZN