USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 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 Single : A 612 SER OG : rot 180:sc= 0.234 USER MOD Single : A 618 SER OG : rot 180:sc= 0.111 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 627 SER OG : rot -47:sc= 0.0379 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 632 LYS NZ :NH3+ -121:sc= 0.0743 (180deg=0.0447) USER MOD Single : A 634 MET CE :methyl -149:sc= -0.949 (180deg=-1.65) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 640 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 643 SER OG : rot 149:sc= 1.23 USER MOD Single : A 651 ASN : amide:sc=-0.000132 X(o=-0.00013,f=0) USER MOD Single : A 656 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.49) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl -159:sc= -0.0617 (180deg=-0.498) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 611 -18.329 3.443 14.857 1.00 0.00 N ATOM 2 CA GLY A 611 -19.228 2.941 13.807 1.00 0.00 C ATOM 3 C GLY A 611 -18.422 2.439 12.622 1.00 0.00 C ATOM 4 O GLY A 611 -17.349 1.868 12.808 1.00 0.00 O ATOM 0 HA2 GLY A 611 -19.847 2.136 14.203 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -19.904 3.734 13.487 1.00 0.00 H new ATOM 8 N SER A 612 -18.909 2.620 11.393 1.00 0.00 N ATOM 9 CA SER A 612 -18.227 2.189 10.175 1.00 0.00 C ATOM 10 C SER A 612 -18.508 3.179 9.037 1.00 0.00 C ATOM 11 O SER A 612 -18.998 4.291 9.273 1.00 0.00 O ATOM 12 CB SER A 612 -18.634 0.741 9.861 1.00 0.00 C ATOM 13 OG SER A 612 -17.801 0.180 8.867 1.00 0.00 O ATOM 0 H SER A 612 -19.803 3.078 11.215 1.00 0.00 H new ATOM 0 HA SER A 612 -17.145 2.192 10.308 1.00 0.00 H new ATOM 0 HB2 SER A 612 -18.577 0.140 10.768 1.00 0.00 H new ATOM 0 HB3 SER A 612 -19.671 0.716 9.526 1.00 0.00 H new ATOM 0 HG SER A 612 -18.081 -0.742 8.688 1.00 0.00 H new ATOM 19 N ILE A 613 -18.154 2.812 7.807 1.00 0.00 N ATOM 20 CA ILE A 613 -18.311 3.585 6.578 1.00 0.00 C ATOM 21 C ILE A 613 -18.848 2.684 5.466 1.00 0.00 C ATOM 22 O ILE A 613 -18.686 1.461 5.556 1.00 0.00 O ATOM 23 CB ILE A 613 -16.948 4.181 6.160 1.00 0.00 C ATOM 24 CG1 ILE A 613 -15.833 3.124 5.981 1.00 0.00 C ATOM 25 CG2 ILE A 613 -16.549 5.241 7.184 1.00 0.00 C ATOM 26 CD1 ILE A 613 -14.667 3.672 5.155 1.00 0.00 C ATOM 0 H ILE A 613 -17.721 1.905 7.632 1.00 0.00 H new ATOM 0 HA ILE A 613 -19.018 4.397 6.751 1.00 0.00 H new ATOM 0 HB ILE A 613 -17.068 4.629 5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 613 -15.470 2.807 6.959 1.00 0.00 H new ATOM 0 HG13 ILE A 613 -16.243 2.240 5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 613 -15.588 5.673 6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 613 -17.306 6.025 7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 613 -16.468 4.783 8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 613 -13.902 2.902 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 613 -15.026 3.964 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 613 -14.241 4.540 5.658 1.00 0.00 H new ATOM 38 N PRO A 614 -19.423 3.255 4.394 1.00 0.00 N ATOM 39 CA PRO A 614 -19.937 2.439 3.312 1.00 0.00 C ATOM 40 C PRO A 614 -18.837 1.802 2.462 1.00 0.00 C ATOM 41 O PRO A 614 -19.014 0.696 1.953 1.00 0.00 O ATOM 42 CB PRO A 614 -20.813 3.372 2.486 1.00 0.00 C ATOM 43 CG PRO A 614 -20.211 4.757 2.716 1.00 0.00 C ATOM 44 CD PRO A 614 -19.699 4.670 4.152 1.00 0.00 C ATOM 0 HA PRO A 614 -20.495 1.590 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -20.797 3.102 1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -21.853 3.332 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -19.407 4.970 2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -20.954 5.546 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -18.799 5.271 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -20.441 5.049 4.855 1.00 0.00 H new ATOM 52 N CYS A 615 -17.699 2.487 2.325 1.00 0.00 N ATOM 53 CA CYS A 615 -16.564 2.019 1.541 1.00 0.00 C ATOM 54 C CYS A 615 -16.087 0.692 2.121 1.00 0.00 C ATOM 55 O CYS A 615 -15.738 0.630 3.306 1.00 0.00 O ATOM 56 CB CYS A 615 -15.441 3.065 1.476 1.00 0.00 C ATOM 57 SG CYS A 615 -16.011 4.789 1.443 1.00 0.00 S ATOM 0 H CYS A 615 -17.543 3.395 2.764 1.00 0.00 H new ATOM 0 HA CYS A 615 -16.876 1.864 0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -14.786 2.929 2.337 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -14.840 2.878 0.586 1.00 0.00 H new ATOM 62 N LEU A 616 -16.059 -0.364 1.302 1.00 0.00 N ATOM 63 CA LEU A 616 -15.655 -1.695 1.727 1.00 0.00 C ATOM 64 C LEU A 616 -14.564 -2.226 0.808 1.00 0.00 C ATOM 65 O LEU A 616 -14.790 -2.521 -0.367 1.00 0.00 O ATOM 66 CB LEU A 616 -16.903 -2.590 1.822 1.00 0.00 C ATOM 67 CG LEU A 616 -16.719 -3.909 2.594 1.00 0.00 C ATOM 68 CD1 LEU A 616 -15.829 -4.905 1.849 1.00 0.00 C ATOM 69 CD2 LEU A 616 -16.192 -3.688 4.017 1.00 0.00 C ATOM 0 H LEU A 616 -16.320 -0.312 0.317 1.00 0.00 H new ATOM 0 HA LEU A 616 -15.211 -1.677 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -17.701 -2.020 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.237 -2.825 0.811 1.00 0.00 H new ATOM 0 HG LEU A 616 -17.717 -4.342 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -15.732 -5.817 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -16.276 -5.141 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -14.843 -4.467 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -16.080 -4.650 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -15.225 -3.187 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -16.896 -3.069 4.574 1.00 0.00 H new ATOM 81 N LEU A 617 -13.365 -2.351 1.369 1.00 0.00 N ATOM 82 CA LEU A 617 -12.156 -2.817 0.709 1.00 0.00 C ATOM 83 C LEU A 617 -11.539 -3.933 1.531 1.00 0.00 C ATOM 84 O LEU A 617 -11.852 -4.077 2.717 1.00 0.00 O ATOM 85 CB LEU A 617 -11.129 -1.676 0.611 1.00 0.00 C ATOM 86 CG LEU A 617 -11.721 -0.358 0.076 1.00 0.00 C ATOM 87 CD1 LEU A 617 -12.177 0.564 1.219 1.00 0.00 C ATOM 88 CD2 LEU A 617 -10.681 0.341 -0.790 1.00 0.00 C ATOM 0 H LEU A 617 -13.205 -2.117 2.349 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.416 -3.167 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -10.701 -1.498 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.312 -1.988 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 617 -12.603 -0.590 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -12.589 1.483 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -12.941 0.060 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -11.325 0.804 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -11.094 1.275 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -9.794 0.554 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -10.410 -0.304 -1.625 1.00 0.00 H new ATOM 100 N SER A 618 -10.672 -4.730 0.924 1.00 0.00 N ATOM 101 CA SER A 618 -9.993 -5.813 1.613 1.00 0.00 C ATOM 102 C SER A 618 -8.880 -5.202 2.483 1.00 0.00 C ATOM 103 O SER A 618 -8.529 -4.021 2.314 1.00 0.00 O ATOM 104 CB SER A 618 -9.407 -6.804 0.580 1.00 0.00 C ATOM 105 OG SER A 618 -9.452 -6.322 -0.754 1.00 0.00 O ATOM 0 H SER A 618 -10.421 -4.643 -0.061 1.00 0.00 H new ATOM 0 HA SER A 618 -10.689 -6.364 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 618 -8.372 -7.023 0.844 1.00 0.00 H new ATOM 0 HB3 SER A 618 -9.956 -7.744 0.637 1.00 0.00 H new ATOM 0 HG SER A 618 -9.067 -6.992 -1.357 1.00 0.00 H new ATOM 111 N PRO A 619 -8.342 -5.955 3.456 1.00 0.00 N ATOM 112 CA PRO A 619 -7.251 -5.436 4.260 1.00 0.00 C ATOM 113 C PRO A 619 -6.044 -5.349 3.320 1.00 0.00 C ATOM 114 O PRO A 619 -5.963 -6.099 2.340 1.00 0.00 O ATOM 115 CB PRO A 619 -7.048 -6.444 5.389 1.00 0.00 C ATOM 116 CG PRO A 619 -7.508 -7.756 4.760 1.00 0.00 C ATOM 117 CD PRO A 619 -8.630 -7.337 3.809 1.00 0.00 C ATOM 0 HA PRO A 619 -7.424 -4.453 4.698 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -6.006 -6.491 5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.638 -6.189 6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.696 -8.249 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.865 -8.457 5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.652 -7.972 2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.605 -7.425 4.289 1.00 0.00 H new ATOM 125 N TRP A 620 -5.106 -4.453 3.611 1.00 0.00 N ATOM 126 CA TRP A 620 -3.926 -4.299 2.769 1.00 0.00 C ATOM 127 C TRP A 620 -3.129 -5.594 2.687 1.00 0.00 C ATOM 128 O TRP A 620 -3.207 -6.454 3.577 1.00 0.00 O ATOM 129 CB TRP A 620 -3.005 -3.223 3.347 1.00 0.00 C ATOM 130 CG TRP A 620 -3.557 -1.843 3.391 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.289 -1.329 4.398 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.390 -0.769 2.425 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.612 -0.019 4.114 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.082 0.377 2.911 1.00 0.00 C ATOM 135 CE3 TRP A 620 -2.704 -0.634 1.202 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.120 1.584 2.211 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -2.726 0.582 0.498 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.451 1.684 0.985 1.00 0.00 C ATOM 0 H TRP A 620 -5.139 -3.828 4.416 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.275 -4.020 1.775 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.730 -3.515 4.361 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -2.087 -3.206 2.760 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -4.579 -1.862 5.292 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -5.173 0.579 4.720 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.156 -1.474 0.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.659 2.431 2.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.179 0.671 -0.429 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -3.492 2.602 0.417 1.00 0.00 H new ATOM 149 N SER A 621 -2.380 -5.738 1.604 1.00 0.00 N ATOM 150 CA SER A 621 -1.518 -6.872 1.382 1.00 0.00 C ATOM 151 C SER A 621 -0.250 -6.592 2.186 1.00 0.00 C ATOM 152 O SER A 621 0.011 -5.467 2.626 1.00 0.00 O ATOM 153 CB SER A 621 -1.167 -6.975 -0.109 1.00 0.00 C ATOM 154 OG SER A 621 -0.928 -8.322 -0.453 1.00 0.00 O ATOM 0 H SER A 621 -2.359 -5.055 0.847 1.00 0.00 H new ATOM 0 HA SER A 621 -1.994 -7.805 1.683 1.00 0.00 H new ATOM 0 HB2 SER A 621 -1.982 -6.576 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.285 -6.373 -0.327 1.00 0.00 H new ATOM 0 HG SER A 621 -0.706 -8.382 -1.406 1.00 0.00 H new ATOM 160 N GLU A 622 0.544 -7.620 2.421 1.00 0.00 N ATOM 161 CA GLU A 622 1.793 -7.460 3.133 1.00 0.00 C ATOM 162 C GLU A 622 2.730 -6.669 2.209 1.00 0.00 C ATOM 163 O GLU A 622 2.686 -6.849 0.987 1.00 0.00 O ATOM 164 CB GLU A 622 2.318 -8.861 3.447 1.00 0.00 C ATOM 165 CG GLU A 622 1.631 -9.388 4.719 1.00 0.00 C ATOM 166 CD GLU A 622 1.493 -10.908 4.746 1.00 0.00 C ATOM 167 OE1 GLU A 622 0.530 -11.437 4.143 1.00 0.00 O ATOM 168 OE2 GLU A 622 2.321 -11.606 5.376 1.00 0.00 O ATOM 0 H GLU A 622 0.343 -8.576 2.127 1.00 0.00 H new ATOM 0 HA GLU A 622 1.697 -6.918 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 622 2.122 -9.531 2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 622 3.399 -8.834 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 622 2.201 -9.066 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 622 0.641 -8.939 4.802 1.00 0.00 H new ATOM 175 N TRP A 623 3.556 -5.788 2.772 1.00 0.00 N ATOM 176 CA TRP A 623 4.514 -4.981 2.028 1.00 0.00 C ATOM 177 C TRP A 623 5.544 -5.879 1.319 1.00 0.00 C ATOM 178 O TRP A 623 5.651 -7.080 1.604 1.00 0.00 O ATOM 179 CB TRP A 623 5.250 -4.073 3.026 1.00 0.00 C ATOM 180 CG TRP A 623 4.497 -2.885 3.528 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.813 -2.786 4.690 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.419 -1.576 2.905 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.302 -1.507 4.813 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.647 -0.715 3.738 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.952 -1.029 1.723 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.385 0.620 3.392 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.726 0.314 1.396 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.918 1.127 2.194 1.00 0.00 C ATOM 0 H TRP A 623 3.576 -5.614 3.777 1.00 0.00 H new ATOM 0 HA TRP A 623 3.987 -4.394 1.276 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.544 -4.677 3.884 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.167 -3.721 2.554 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.686 -3.581 5.409 1.00 0.00 H new ATOM 0 HE1 TRP A 623 2.739 -1.189 5.602 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.540 -1.650 1.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.785 1.247 4.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 5.185 0.728 0.511 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.703 2.141 1.892 1.00 0.00 H new ATOM 199 N SER A 624 6.332 -5.296 0.421 1.00 0.00 N ATOM 200 CA SER A 624 7.386 -5.946 -0.339 1.00 0.00 C ATOM 201 C SER A 624 8.642 -5.087 -0.177 1.00 0.00 C ATOM 202 O SER A 624 8.627 -4.091 0.562 1.00 0.00 O ATOM 203 CB SER A 624 6.943 -6.096 -1.803 1.00 0.00 C ATOM 204 OG SER A 624 7.484 -7.273 -2.387 1.00 0.00 O ATOM 0 H SER A 624 6.245 -4.305 0.194 1.00 0.00 H new ATOM 0 HA SER A 624 7.599 -6.953 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 624 5.855 -6.129 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 624 7.263 -5.224 -2.373 1.00 0.00 H new ATOM 0 HG SER A 624 7.185 -7.344 -3.317 1.00 0.00 H new ATOM 210 N ASP A 625 9.736 -5.483 -0.829 1.00 0.00 N ATOM 211 CA ASP A 625 10.987 -4.739 -0.765 1.00 0.00 C ATOM 212 C ASP A 625 10.813 -3.404 -1.493 1.00 0.00 C ATOM 213 O ASP A 625 9.725 -3.067 -1.981 1.00 0.00 O ATOM 214 CB ASP A 625 12.160 -5.578 -1.298 1.00 0.00 C ATOM 215 CG ASP A 625 13.511 -5.041 -0.807 1.00 0.00 C ATOM 216 OD1 ASP A 625 13.708 -5.002 0.429 1.00 0.00 O ATOM 217 OD2 ASP A 625 14.348 -4.616 -1.635 1.00 0.00 O ATOM 0 H ASP A 625 9.777 -6.320 -1.410 1.00 0.00 H new ATOM 0 HA ASP A 625 11.238 -4.518 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 625 12.042 -6.613 -0.978 1.00 0.00 H new ATOM 0 HB3 ASP A 625 12.142 -5.577 -2.388 1.00 0.00 H new ATOM 222 N CYS A 626 11.859 -2.593 -1.527 1.00 0.00 N ATOM 223 CA CYS A 626 11.835 -1.293 -2.165 1.00 0.00 C ATOM 224 C CYS A 626 12.150 -1.379 -3.654 1.00 0.00 C ATOM 225 O CYS A 626 12.562 -2.422 -4.164 1.00 0.00 O ATOM 226 CB CYS A 626 12.845 -0.434 -1.417 1.00 0.00 C ATOM 227 SG CYS A 626 12.372 -0.165 0.316 1.00 0.00 S ATOM 0 H CYS A 626 12.758 -2.825 -1.106 1.00 0.00 H new ATOM 0 HA CYS A 626 10.838 -0.855 -2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.824 -0.912 -1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 626 12.942 0.529 -1.919 1.00 0.00 H new ATOM 232 N SER A 627 11.969 -0.261 -4.355 1.00 0.00 N ATOM 233 CA SER A 627 12.227 -0.107 -5.780 1.00 0.00 C ATOM 234 C SER A 627 13.723 0.221 -5.972 1.00 0.00 C ATOM 235 O SER A 627 14.099 1.064 -6.791 1.00 0.00 O ATOM 236 CB SER A 627 11.263 0.960 -6.320 1.00 0.00 C ATOM 237 OG SER A 627 11.265 1.046 -7.735 1.00 0.00 O ATOM 0 H SER A 627 11.624 0.597 -3.924 1.00 0.00 H new ATOM 0 HA SER A 627 12.040 -1.017 -6.351 1.00 0.00 H new ATOM 0 HB2 SER A 627 10.253 0.736 -5.977 1.00 0.00 H new ATOM 0 HB3 SER A 627 11.533 1.930 -5.903 1.00 0.00 H new ATOM 0 HG SER A 627 12.189 1.076 -8.060 1.00 0.00 H new ATOM 243 N VAL A 628 14.576 -0.345 -5.119 1.00 0.00 N ATOM 244 CA VAL A 628 16.016 -0.232 -5.070 1.00 0.00 C ATOM 245 C VAL A 628 16.471 -1.459 -4.288 1.00 0.00 C ATOM 246 O VAL A 628 15.732 -1.966 -3.438 1.00 0.00 O ATOM 247 CB VAL A 628 16.447 1.070 -4.355 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.413 1.022 -2.821 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.839 1.501 -4.788 1.00 0.00 C ATOM 0 H VAL A 628 14.232 -0.952 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 628 16.459 -0.188 -6.065 1.00 0.00 H new ATOM 0 HB VAL A 628 15.693 1.793 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 628 16.733 1.984 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.398 0.809 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.084 0.240 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 628 18.114 2.419 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.555 0.717 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.847 1.677 -5.864 1.00 0.00 H new ATOM 259 N THR A 629 17.691 -1.901 -4.536 1.00 0.00 N ATOM 260 CA THR A 629 18.274 -3.036 -3.846 1.00 0.00 C ATOM 261 C THR A 629 19.168 -2.554 -2.712 1.00 0.00 C ATOM 262 O THR A 629 19.279 -3.267 -1.714 1.00 0.00 O ATOM 263 CB THR A 629 19.118 -3.863 -4.827 1.00 0.00 C ATOM 264 OG1 THR A 629 19.789 -3.017 -5.751 1.00 0.00 O ATOM 265 CG2 THR A 629 18.274 -4.870 -5.608 1.00 0.00 C ATOM 0 H THR A 629 18.310 -1.478 -5.228 1.00 0.00 H new ATOM 0 HA THR A 629 17.469 -3.650 -3.441 1.00 0.00 H new ATOM 0 HB THR A 629 19.843 -4.410 -4.225 1.00 0.00 H new ATOM 0 HG1 THR A 629 20.322 -3.562 -6.366 1.00 0.00 H new ATOM 0 HG21 THR A 629 18.914 -5.431 -6.289 1.00 0.00 H new ATOM 0 HG22 THR A 629 17.792 -5.558 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.512 -4.340 -6.180 1.00 0.00 H new ATOM 273 N CYS A 630 19.755 -1.357 -2.835 1.00 0.00 N ATOM 274 CA CYS A 630 20.651 -0.793 -1.845 1.00 0.00 C ATOM 275 C CYS A 630 20.480 0.709 -1.689 1.00 0.00 C ATOM 276 O CYS A 630 20.075 1.406 -2.619 1.00 0.00 O ATOM 277 CB CYS A 630 22.095 -1.092 -2.232 1.00 0.00 C ATOM 278 SG CYS A 630 22.597 -0.617 -3.906 1.00 0.00 S ATOM 0 H CYS A 630 19.611 -0.751 -3.643 1.00 0.00 H new ATOM 0 HA CYS A 630 20.403 -1.255 -0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.750 -0.586 -1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.265 -2.162 -2.115 1.00 0.00 H new ATOM 283 N GLY A 631 20.884 1.201 -0.522 1.00 0.00 N ATOM 284 CA GLY A 631 20.832 2.593 -0.134 1.00 0.00 C ATOM 285 C GLY A 631 19.402 3.137 -0.117 1.00 0.00 C ATOM 286 O GLY A 631 18.413 2.398 -0.136 1.00 0.00 O ATOM 0 H GLY A 631 21.274 0.606 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.274 2.709 0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.435 3.183 -0.824 1.00 0.00 H new ATOM 290 N LYS A 632 19.289 4.467 -0.074 1.00 0.00 N ATOM 291 CA LYS A 632 18.025 5.200 -0.056 1.00 0.00 C ATOM 292 C LYS A 632 17.111 4.687 -1.159 1.00 0.00 C ATOM 293 O LYS A 632 17.515 4.576 -2.317 1.00 0.00 O ATOM 294 CB LYS A 632 18.281 6.701 -0.260 1.00 0.00 C ATOM 295 CG LYS A 632 18.147 7.544 1.011 1.00 0.00 C ATOM 296 CD LYS A 632 16.761 7.494 1.669 1.00 0.00 C ATOM 297 CE LYS A 632 15.575 7.660 0.717 1.00 0.00 C ATOM 298 NZ LYS A 632 14.313 7.625 1.474 1.00 0.00 N ATOM 0 H LYS A 632 20.103 5.081 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 632 17.546 5.046 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 632 19.284 6.834 -0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 632 17.582 7.078 -1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 632 18.890 7.208 1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 632 18.383 8.581 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 632 16.658 6.541 2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 632 16.709 8.276 2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 632 15.660 8.604 0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 632 15.583 6.866 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 13.720 6.846 1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 14.517 7.478 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 13.809 8.526 1.350 1.00 0.00 H new ATOM 312 N GLY A 633 15.848 4.497 -0.808 1.00 0.00 N ATOM 313 CA GLY A 633 14.812 4.003 -1.688 1.00 0.00 C ATOM 314 C GLY A 633 13.443 4.211 -1.056 1.00 0.00 C ATOM 315 O GLY A 633 13.264 5.062 -0.176 1.00 0.00 O ATOM 0 H GLY A 633 15.509 4.691 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.861 4.521 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.970 2.944 -1.890 1.00 0.00 H new ATOM 319 N MET A 634 12.459 3.446 -1.514 1.00 0.00 N ATOM 320 CA MET A 634 11.088 3.439 -1.023 1.00 0.00 C ATOM 321 C MET A 634 10.359 2.210 -1.560 1.00 0.00 C ATOM 322 O MET A 634 10.740 1.663 -2.595 1.00 0.00 O ATOM 323 CB MET A 634 10.340 4.720 -1.391 1.00 0.00 C ATOM 324 CG MET A 634 10.160 4.942 -2.891 1.00 0.00 C ATOM 325 SD MET A 634 9.328 6.499 -3.278 1.00 0.00 S ATOM 326 CE MET A 634 7.785 6.261 -2.359 1.00 0.00 C ATOM 0 H MET A 634 12.604 2.782 -2.275 1.00 0.00 H new ATOM 0 HA MET A 634 11.118 3.395 0.066 1.00 0.00 H new ATOM 0 HB2 MET A 634 9.357 4.700 -0.920 1.00 0.00 H new ATOM 0 HB3 MET A 634 10.877 5.572 -0.973 1.00 0.00 H new ATOM 0 HG2 MET A 634 11.137 4.928 -3.375 1.00 0.00 H new ATOM 0 HG3 MET A 634 9.585 4.115 -3.309 1.00 0.00 H new ATOM 0 HE1 MET A 634 6.974 6.780 -2.870 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.556 5.197 -2.302 1.00 0.00 H new ATOM 0 HE3 MET A 634 7.896 6.663 -1.352 1.00 0.00 H new ATOM 336 N ARG A 635 9.318 1.779 -0.852 1.00 0.00 N ATOM 337 CA ARG A 635 8.459 0.647 -1.193 1.00 0.00 C ATOM 338 C ARG A 635 7.039 1.162 -1.323 1.00 0.00 C ATOM 339 O ARG A 635 6.755 2.272 -0.855 1.00 0.00 O ATOM 340 CB ARG A 635 8.578 -0.487 -0.154 1.00 0.00 C ATOM 341 CG ARG A 635 8.503 -0.043 1.307 1.00 0.00 C ATOM 342 CD ARG A 635 8.503 -1.275 2.212 1.00 0.00 C ATOM 343 NE ARG A 635 8.409 -0.882 3.620 1.00 0.00 N ATOM 344 CZ ARG A 635 8.506 -1.711 4.664 1.00 0.00 C ATOM 345 NH1 ARG A 635 8.609 -3.028 4.506 1.00 0.00 N ATOM 346 NH2 ARG A 635 8.504 -1.192 5.882 1.00 0.00 N ATOM 0 H ARG A 635 9.036 2.232 0.018 1.00 0.00 H new ATOM 0 HA ARG A 635 8.773 0.209 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.784 -1.211 -0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.524 -1.004 -0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 635 9.351 0.599 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.600 0.545 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.665 -1.923 1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 635 9.414 -1.852 2.050 1.00 0.00 H new ATOM 0 HE ARG A 635 8.257 0.106 3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 635 8.615 -3.430 3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 635 8.682 -3.635 5.322 1.00 0.00 H new ATOM 0 HH21 ARG A 635 8.430 -0.182 6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 635 8.577 -1.802 6.696 1.00 0.00 H new ATOM 360 N THR A 636 6.139 0.375 -1.908 1.00 0.00 N ATOM 361 CA THR A 636 4.754 0.782 -2.100 1.00 0.00 C ATOM 362 C THR A 636 3.853 -0.447 -2.104 1.00 0.00 C ATOM 363 O THR A 636 4.232 -1.479 -2.650 1.00 0.00 O ATOM 364 CB THR A 636 4.601 1.560 -3.420 1.00 0.00 C ATOM 365 OG1 THR A 636 5.399 1.042 -4.464 1.00 0.00 O ATOM 366 CG2 THR A 636 4.987 3.031 -3.339 1.00 0.00 C ATOM 0 H THR A 636 6.350 -0.559 -2.260 1.00 0.00 H new ATOM 0 HA THR A 636 4.460 1.437 -1.279 1.00 0.00 H new ATOM 0 HB THR A 636 3.535 1.451 -3.619 1.00 0.00 H new ATOM 0 HG1 THR A 636 5.260 1.573 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.847 3.498 -4.314 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.358 3.532 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 636 6.032 3.117 -3.042 1.00 0.00 H new ATOM 374 N ARG A 637 2.681 -0.375 -1.470 1.00 0.00 N ATOM 375 CA ARG A 637 1.717 -1.477 -1.427 1.00 0.00 C ATOM 376 C ARG A 637 0.358 -0.910 -1.827 1.00 0.00 C ATOM 377 O ARG A 637 0.118 0.287 -1.628 1.00 0.00 O ATOM 378 CB ARG A 637 1.744 -2.232 -0.077 1.00 0.00 C ATOM 379 CG ARG A 637 1.177 -1.498 1.150 1.00 0.00 C ATOM 380 CD ARG A 637 0.769 -2.478 2.258 1.00 0.00 C ATOM 381 NE ARG A 637 0.399 -1.795 3.506 1.00 0.00 N ATOM 382 CZ ARG A 637 0.126 -2.392 4.671 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.094 -3.719 4.770 1.00 0.00 N ATOM 384 NH2 ARG A 637 -0.121 -1.638 5.731 1.00 0.00 N ATOM 0 H ARG A 637 2.371 0.457 -0.968 1.00 0.00 H new ATOM 0 HA ARG A 637 1.981 -2.258 -2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.190 -3.163 -0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.778 -2.502 0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.923 -0.803 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.312 -0.905 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.072 -3.080 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.593 -3.164 2.454 1.00 0.00 H new ATOM 0 HE ARG A 637 0.346 -0.777 3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.279 -4.296 3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.116 -4.159 5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -0.101 -0.621 5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.331 -2.074 6.629 1.00 0.00 H new ATOM 398 N GLN A 638 -0.511 -1.710 -2.435 1.00 0.00 N ATOM 399 CA GLN A 638 -1.831 -1.260 -2.865 1.00 0.00 C ATOM 400 C GLN A 638 -2.863 -2.341 -2.629 1.00 0.00 C ATOM 401 O GLN A 638 -2.532 -3.515 -2.466 1.00 0.00 O ATOM 402 CB GLN A 638 -1.817 -0.804 -4.335 1.00 0.00 C ATOM 403 CG GLN A 638 -1.414 -1.876 -5.370 1.00 0.00 C ATOM 404 CD GLN A 638 -2.567 -2.766 -5.843 1.00 0.00 C ATOM 405 OE1 GLN A 638 -2.580 -3.980 -5.644 1.00 0.00 O ATOM 406 NE2 GLN A 638 -3.551 -2.205 -6.515 1.00 0.00 N ATOM 0 H GLN A 638 -0.320 -2.690 -2.644 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.107 -0.394 -2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.811 -0.436 -4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.131 0.038 -4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -0.975 -1.380 -6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -0.638 -2.507 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -3.545 -1.199 -6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -4.319 -2.777 -6.868 1.00 0.00 H new ATOM 415 N ARG A 639 -4.122 -1.945 -2.589 1.00 0.00 N ATOM 416 CA ARG A 639 -5.274 -2.800 -2.398 1.00 0.00 C ATOM 417 C ARG A 639 -6.295 -2.414 -3.455 1.00 0.00 C ATOM 418 O ARG A 639 -6.076 -1.488 -4.244 1.00 0.00 O ATOM 419 CB ARG A 639 -5.774 -2.755 -0.945 1.00 0.00 C ATOM 420 CG ARG A 639 -6.176 -1.360 -0.450 1.00 0.00 C ATOM 421 CD ARG A 639 -6.843 -1.499 0.915 1.00 0.00 C ATOM 422 NE ARG A 639 -7.161 -0.196 1.510 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.670 -0.028 2.732 1.00 0.00 C ATOM 424 NH1 ARG A 639 -8.092 -1.076 3.439 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.742 1.195 3.243 1.00 0.00 N ATOM 0 H ARG A 639 -4.380 -0.964 -2.695 1.00 0.00 H new ATOM 0 HA ARG A 639 -5.032 -3.853 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.631 -3.421 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.992 -3.146 -0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.299 -0.717 -0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.859 -0.890 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.758 -2.083 0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.185 -2.052 1.585 1.00 0.00 H new ATOM 0 HE ARG A 639 -6.981 0.638 0.951 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -8.027 -2.015 3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -8.480 -0.939 4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.410 1.994 2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -8.129 1.336 4.176 1.00 0.00 H new ATOM 439 N MET A 640 -7.409 -3.130 -3.495 1.00 0.00 N ATOM 440 CA MET A 640 -8.465 -2.904 -4.464 1.00 0.00 C ATOM 441 C MET A 640 -9.806 -2.913 -3.747 1.00 0.00 C ATOM 442 O MET A 640 -9.928 -3.437 -2.632 1.00 0.00 O ATOM 443 CB MET A 640 -8.433 -4.053 -5.489 1.00 0.00 C ATOM 444 CG MET A 640 -7.116 -4.190 -6.267 1.00 0.00 C ATOM 445 SD MET A 640 -6.734 -5.889 -6.779 1.00 0.00 S ATOM 446 CE MET A 640 -7.941 -6.123 -8.111 1.00 0.00 C ATOM 0 H MET A 640 -7.605 -3.893 -2.847 1.00 0.00 H new ATOM 0 HA MET A 640 -8.324 -1.946 -4.964 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.630 -4.990 -4.968 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.245 -3.908 -6.201 1.00 0.00 H new ATOM 0 HG2 MET A 640 -7.162 -3.556 -7.153 1.00 0.00 H new ATOM 0 HG3 MET A 640 -6.300 -3.816 -5.649 1.00 0.00 H new ATOM 0 HE1 MET A 640 -7.832 -7.124 -8.529 1.00 0.00 H new ATOM 0 HE2 MET A 640 -8.949 -6.003 -7.714 1.00 0.00 H new ATOM 0 HE3 MET A 640 -7.769 -5.383 -8.892 1.00 0.00 H new ATOM 456 N LEU A 641 -10.823 -2.353 -4.401 1.00 0.00 N ATOM 457 CA LEU A 641 -12.174 -2.329 -3.866 1.00 0.00 C ATOM 458 C LEU A 641 -12.610 -3.789 -3.684 1.00 0.00 C ATOM 459 O LEU A 641 -12.338 -4.639 -4.540 1.00 0.00 O ATOM 460 CB LEU A 641 -13.103 -1.601 -4.854 1.00 0.00 C ATOM 461 CG LEU A 641 -14.553 -1.479 -4.366 1.00 0.00 C ATOM 462 CD1 LEU A 641 -14.650 -0.595 -3.122 1.00 0.00 C ATOM 463 CD2 LEU A 641 -15.453 -0.928 -5.474 1.00 0.00 C ATOM 0 H LEU A 641 -10.729 -1.906 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 641 -12.219 -1.800 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -12.708 -0.603 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -13.093 -2.132 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.894 -2.479 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -15.690 -0.529 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -14.051 -1.027 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -14.278 0.403 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -16.476 -0.850 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -15.099 0.058 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -15.426 -1.599 -6.332 1.00 0.00 H new ATOM 475 N LYS A 642 -13.315 -4.093 -2.597 1.00 0.00 N ATOM 476 CA LYS A 642 -13.798 -5.439 -2.277 1.00 0.00 C ATOM 477 C LYS A 642 -15.299 -5.385 -2.014 1.00 0.00 C ATOM 478 O LYS A 642 -15.829 -6.215 -1.279 1.00 0.00 O ATOM 479 CB LYS A 642 -12.991 -5.946 -1.064 1.00 0.00 C ATOM 480 CG LYS A 642 -13.068 -7.441 -0.729 1.00 0.00 C ATOM 481 CD LYS A 642 -12.460 -8.304 -1.835 1.00 0.00 C ATOM 482 CE LYS A 642 -12.546 -9.786 -1.473 1.00 0.00 C ATOM 483 NZ LYS A 642 -13.917 -10.326 -1.594 1.00 0.00 N ATOM 0 H LYS A 642 -13.573 -3.397 -1.897 1.00 0.00 H new ATOM 0 HA LYS A 642 -13.651 -6.136 -3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -11.944 -5.693 -1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -13.319 -5.389 -0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -12.545 -7.631 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -14.109 -7.726 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -12.984 -8.123 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -11.419 -8.023 -1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -11.878 -10.353 -2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -12.194 -9.927 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -13.917 -11.334 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -14.553 -9.806 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -14.247 -10.219 -2.574 1.00 0.00 H new ATOM 497 N SER A 643 -15.984 -4.376 -2.549 1.00 0.00 N ATOM 498 CA SER A 643 -17.394 -4.218 -2.317 1.00 0.00 C ATOM 499 C SER A 643 -18.251 -5.349 -2.863 1.00 0.00 C ATOM 500 O SER A 643 -18.627 -5.404 -4.036 1.00 0.00 O ATOM 501 CB SER A 643 -17.927 -2.860 -2.746 1.00 0.00 C ATOM 502 OG SER A 643 -19.186 -2.797 -2.120 1.00 0.00 O ATOM 0 H SER A 643 -15.571 -3.660 -3.147 1.00 0.00 H new ATOM 0 HA SER A 643 -17.484 -4.271 -1.232 1.00 0.00 H new ATOM 0 HB2 SER A 643 -17.274 -2.050 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 643 -18.012 -2.785 -3.830 1.00 0.00 H new ATOM 0 HG SER A 643 -19.397 -1.865 -1.903 1.00 0.00 H new ATOM 508 N LEU A 644 -18.644 -6.202 -1.925 1.00 0.00 N ATOM 509 CA LEU A 644 -19.508 -7.344 -2.100 1.00 0.00 C ATOM 510 C LEU A 644 -20.947 -6.884 -2.385 1.00 0.00 C ATOM 511 O LEU A 644 -21.786 -7.730 -2.681 1.00 0.00 O ATOM 512 CB LEU A 644 -19.462 -8.231 -0.840 1.00 0.00 C ATOM 513 CG LEU A 644 -19.936 -7.557 0.471 1.00 0.00 C ATOM 514 CD1 LEU A 644 -20.273 -8.626 1.511 1.00 0.00 C ATOM 515 CD2 LEU A 644 -18.879 -6.636 1.105 1.00 0.00 C ATOM 0 H LEU A 644 -18.341 -6.099 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 644 -19.160 -7.927 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -20.077 -9.114 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -18.438 -8.578 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 644 -20.803 -6.956 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -20.606 -8.146 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -21.067 -9.268 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -19.387 -9.227 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -19.279 -6.198 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -17.986 -7.215 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -18.622 -5.841 0.405 1.00 0.00 H new ATOM 527 N ALA A 645 -21.249 -5.582 -2.267 1.00 0.00 N ATOM 528 CA ALA A 645 -22.568 -5.036 -2.519 1.00 0.00 C ATOM 529 C ALA A 645 -22.454 -3.857 -3.484 1.00 0.00 C ATOM 530 O ALA A 645 -22.565 -4.064 -4.692 1.00 0.00 O ATOM 531 CB ALA A 645 -23.307 -4.694 -1.219 1.00 0.00 C ATOM 0 H ALA A 645 -20.565 -4.878 -1.989 1.00 0.00 H new ATOM 0 HA ALA A 645 -23.186 -5.796 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -24.291 -4.288 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -23.422 -5.596 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -22.735 -3.955 -0.659 1.00 0.00 H new ATOM 537 N GLU A 646 -22.197 -2.641 -3.005 1.00 0.00 N ATOM 538 CA GLU A 646 -22.108 -1.440 -3.842 1.00 0.00 C ATOM 539 C GLU A 646 -21.111 -0.418 -3.281 1.00 0.00 C ATOM 540 O GLU A 646 -20.541 -0.624 -2.207 1.00 0.00 O ATOM 541 CB GLU A 646 -23.521 -0.834 -3.941 1.00 0.00 C ATOM 542 CG GLU A 646 -24.109 -0.521 -2.554 1.00 0.00 C ATOM 543 CD GLU A 646 -25.484 0.131 -2.615 1.00 0.00 C ATOM 544 OE1 GLU A 646 -25.670 1.102 -3.383 1.00 0.00 O ATOM 545 OE2 GLU A 646 -26.361 -0.313 -1.843 1.00 0.00 O ATOM 0 H GLU A 646 -22.043 -2.457 -2.014 1.00 0.00 H new ATOM 0 HA GLU A 646 -21.737 -1.713 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -23.483 0.080 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -24.178 -1.528 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -24.178 -1.445 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -23.426 0.138 -2.018 1.00 0.00 H new ATOM 552 N LEU A 647 -20.855 0.659 -4.019 1.00 0.00 N ATOM 553 CA LEU A 647 -19.949 1.746 -3.660 1.00 0.00 C ATOM 554 C LEU A 647 -20.583 3.049 -4.157 1.00 0.00 C ATOM 555 O LEU A 647 -21.558 3.004 -4.911 1.00 0.00 O ATOM 556 CB LEU A 647 -18.557 1.457 -4.263 1.00 0.00 C ATOM 557 CG LEU A 647 -17.321 1.878 -3.447 1.00 0.00 C ATOM 558 CD1 LEU A 647 -17.011 3.372 -3.449 1.00 0.00 C ATOM 559 CD2 LEU A 647 -17.366 1.376 -2.000 1.00 0.00 C ATOM 0 H LEU A 647 -21.295 0.804 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 647 -19.800 1.837 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -18.488 0.385 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -18.503 1.951 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 647 -16.507 1.389 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -16.123 3.560 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -16.832 3.705 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -17.856 3.919 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -16.469 1.703 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -18.247 1.780 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -17.414 0.287 -1.994 1.00 0.00 H new ATOM 571 N GLY A 648 -20.036 4.207 -3.797 1.00 0.00 N ATOM 572 CA GLY A 648 -20.532 5.511 -4.159 1.00 0.00 C ATOM 573 C GLY A 648 -19.370 6.471 -4.333 1.00 0.00 C ATOM 574 O GLY A 648 -19.386 7.555 -3.757 1.00 0.00 O ATOM 0 H GLY A 648 -19.197 4.253 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -21.106 5.448 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -21.209 5.880 -3.388 1.00 0.00 H new ATOM 578 N ASP A 649 -18.371 6.045 -5.102 1.00 0.00 N ATOM 579 CA ASP A 649 -17.168 6.793 -5.439 1.00 0.00 C ATOM 580 C ASP A 649 -16.474 7.346 -4.201 1.00 0.00 C ATOM 581 O ASP A 649 -16.532 8.537 -3.884 1.00 0.00 O ATOM 582 CB ASP A 649 -17.588 7.840 -6.466 1.00 0.00 C ATOM 583 CG ASP A 649 -16.420 8.563 -7.131 1.00 0.00 C ATOM 584 OD1 ASP A 649 -15.330 7.972 -7.313 1.00 0.00 O ATOM 585 OD2 ASP A 649 -16.655 9.684 -7.639 1.00 0.00 O ATOM 0 H ASP A 649 -18.382 5.119 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 649 -16.401 6.157 -5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -18.189 7.357 -7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -18.227 8.576 -5.978 1.00 0.00 H new ATOM 590 N CYS A 650 -15.902 6.427 -3.421 1.00 0.00 N ATOM 591 CA CYS A 650 -15.199 6.750 -2.196 1.00 0.00 C ATOM 592 C CYS A 650 -13.838 7.369 -2.515 1.00 0.00 C ATOM 593 O CYS A 650 -13.253 7.150 -3.578 1.00 0.00 O ATOM 594 CB CYS A 650 -15.074 5.496 -1.331 1.00 0.00 C ATOM 595 SG CYS A 650 -14.581 5.774 0.389 1.00 0.00 S ATOM 0 H CYS A 650 -15.919 5.429 -3.632 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.764 7.491 -1.630 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -16.032 4.977 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -14.348 4.828 -1.794 1.00 0.00 H new ATOM 600 N ASN A 651 -13.312 8.101 -1.541 1.00 0.00 N ATOM 601 CA ASN A 651 -12.036 8.801 -1.596 1.00 0.00 C ATOM 602 C ASN A 651 -11.083 8.215 -0.549 1.00 0.00 C ATOM 603 O ASN A 651 -10.375 8.973 0.121 1.00 0.00 O ATOM 604 CB ASN A 651 -12.284 10.308 -1.361 1.00 0.00 C ATOM 605 CG ASN A 651 -13.142 10.974 -2.428 1.00 0.00 C ATOM 606 OD1 ASN A 651 -14.132 11.628 -2.100 1.00 0.00 O ATOM 607 ND2 ASN A 651 -12.764 10.866 -3.685 1.00 0.00 N ATOM 0 H ASN A 651 -13.788 8.228 -0.648 1.00 0.00 H new ATOM 0 HA ASN A 651 -11.572 8.675 -2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -12.764 10.439 -0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -11.323 10.820 -1.312 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -13.297 11.332 -4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -11.939 10.316 -3.924 1.00 0.00 H new ATOM 614 N GLU A 652 -11.150 6.906 -0.296 1.00 0.00 N ATOM 615 CA GLU A 652 -10.317 6.203 0.675 1.00 0.00 C ATOM 616 C GLU A 652 -8.854 6.087 0.203 1.00 0.00 C ATOM 617 O GLU A 652 -8.404 6.824 -0.677 1.00 0.00 O ATOM 618 CB GLU A 652 -10.935 4.840 1.041 1.00 0.00 C ATOM 619 CG GLU A 652 -10.834 3.755 -0.036 1.00 0.00 C ATOM 620 CD GLU A 652 -11.913 3.873 -1.105 1.00 0.00 C ATOM 621 OE1 GLU A 652 -11.799 4.761 -1.979 1.00 0.00 O ATOM 622 OE2 GLU A 652 -12.872 3.070 -1.091 1.00 0.00 O ATOM 0 H GLU A 652 -11.806 6.290 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 652 -10.289 6.798 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -10.451 4.474 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -11.987 4.991 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -9.854 3.811 -0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -10.904 2.775 0.436 1.00 0.00 H new ATOM 629 N ASP A 653 -8.081 5.221 0.861 1.00 0.00 N ATOM 630 CA ASP A 653 -6.679 4.930 0.593 1.00 0.00 C ATOM 631 C ASP A 653 -6.594 3.530 -0.009 1.00 0.00 C ATOM 632 O ASP A 653 -6.863 2.528 0.661 1.00 0.00 O ATOM 633 CB ASP A 653 -5.765 5.107 1.822 1.00 0.00 C ATOM 634 CG ASP A 653 -6.426 4.831 3.172 1.00 0.00 C ATOM 635 OD1 ASP A 653 -6.514 3.666 3.616 1.00 0.00 O ATOM 636 OD2 ASP A 653 -6.914 5.813 3.783 1.00 0.00 O ATOM 0 H ASP A 653 -8.443 4.673 1.642 1.00 0.00 H new ATOM 0 HA ASP A 653 -6.298 5.662 -0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -4.906 4.444 1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -5.382 6.127 1.825 1.00 0.00 H new ATOM 641 N LEU A 654 -6.288 3.493 -1.307 1.00 0.00 N ATOM 642 CA LEU A 654 -6.128 2.300 -2.130 1.00 0.00 C ATOM 643 C LEU A 654 -4.641 1.987 -2.310 1.00 0.00 C ATOM 644 O LEU A 654 -4.304 0.821 -2.494 1.00 0.00 O ATOM 645 CB LEU A 654 -6.790 2.510 -3.506 1.00 0.00 C ATOM 646 CG LEU A 654 -8.303 2.204 -3.541 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.941 2.822 -4.791 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.581 0.698 -3.558 1.00 0.00 C ATOM 0 H LEU A 654 -6.137 4.349 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.612 1.461 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.634 3.543 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.287 1.878 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.733 2.634 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -10.008 2.599 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.797 3.902 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.473 2.405 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.657 0.527 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.123 0.253 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.161 0.240 -2.662 1.00 0.00 H new ATOM 660 N GLU A 655 -3.740 2.974 -2.235 1.00 0.00 N ATOM 661 CA GLU A 655 -2.297 2.772 -2.378 1.00 0.00 C ATOM 662 C GLU A 655 -1.555 3.611 -1.338 1.00 0.00 C ATOM 663 O GLU A 655 -2.019 4.693 -0.971 1.00 0.00 O ATOM 664 CB GLU A 655 -1.847 3.121 -3.805 1.00 0.00 C ATOM 665 CG GLU A 655 -0.313 3.087 -3.952 1.00 0.00 C ATOM 666 CD GLU A 655 0.185 3.017 -5.395 1.00 0.00 C ATOM 667 OE1 GLU A 655 -0.251 3.843 -6.234 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.130 2.238 -5.657 1.00 0.00 O ATOM 0 H GLU A 655 -3.998 3.947 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 655 -2.059 1.722 -2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.294 2.418 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.214 4.113 -4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.104 3.977 -3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.072 2.226 -3.406 1.00 0.00 H new ATOM 675 N GLN A 656 -0.420 3.107 -0.852 1.00 0.00 N ATOM 676 CA GLN A 656 0.450 3.755 0.115 1.00 0.00 C ATOM 677 C GLN A 656 1.900 3.468 -0.245 1.00 0.00 C ATOM 678 O GLN A 656 2.221 2.467 -0.894 1.00 0.00 O ATOM 679 CB GLN A 656 0.135 3.316 1.559 1.00 0.00 C ATOM 680 CG GLN A 656 -1.055 4.062 2.183 1.00 0.00 C ATOM 681 CD GLN A 656 -0.856 5.574 2.295 1.00 0.00 C ATOM 682 OE1 GLN A 656 -0.508 6.099 3.351 1.00 0.00 O ATOM 683 NE2 GLN A 656 -1.145 6.318 1.241 1.00 0.00 N ATOM 0 H GLN A 656 -0.071 2.193 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 656 0.274 4.830 0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.073 2.246 1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 656 1.018 3.474 2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -1.946 3.867 1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -1.243 3.657 3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -1.433 5.876 0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -1.080 7.334 1.301 1.00 0.00 H new ATOM 692 N ALA A 657 2.770 4.361 0.212 1.00 0.00 N ATOM 693 CA ALA A 657 4.203 4.342 0.007 1.00 0.00 C ATOM 694 C ALA A 657 4.937 4.494 1.325 1.00 0.00 C ATOM 695 O ALA A 657 4.423 5.081 2.277 1.00 0.00 O ATOM 696 CB ALA A 657 4.587 5.522 -0.890 1.00 0.00 C ATOM 0 H ALA A 657 2.471 5.162 0.767 1.00 0.00 H new ATOM 0 HA ALA A 657 4.477 3.391 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.665 5.520 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 657 4.075 5.432 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 657 4.295 6.455 -0.409 1.00 0.00 H new ATOM 702 N GLU A 658 6.157 3.971 1.385 1.00 0.00 N ATOM 703 CA GLU A 658 6.977 4.067 2.569 1.00 0.00 C ATOM 704 C GLU A 658 8.431 4.233 2.171 1.00 0.00 C ATOM 705 O GLU A 658 9.027 3.352 1.546 1.00 0.00 O ATOM 706 CB GLU A 658 6.755 2.903 3.541 1.00 0.00 C ATOM 707 CG GLU A 658 7.745 3.012 4.712 1.00 0.00 C ATOM 708 CD GLU A 658 7.164 2.497 6.020 1.00 0.00 C ATOM 709 OE1 GLU A 658 7.227 1.274 6.273 1.00 0.00 O ATOM 710 OE2 GLU A 658 6.663 3.329 6.817 1.00 0.00 O ATOM 0 H GLU A 658 6.597 3.472 0.612 1.00 0.00 H new ATOM 0 HA GLU A 658 6.673 4.954 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.731 2.918 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.891 1.953 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 658 8.648 2.449 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 658 8.042 4.053 4.836 1.00 0.00 H new ATOM 717 N LYS A 659 8.986 5.400 2.500 1.00 0.00 N ATOM 718 CA LYS A 659 10.385 5.697 2.225 1.00 0.00 C ATOM 719 C LYS A 659 11.226 4.669 2.990 1.00 0.00 C ATOM 720 O LYS A 659 10.855 4.242 4.095 1.00 0.00 O ATOM 721 CB LYS A 659 10.729 7.149 2.591 1.00 0.00 C ATOM 722 CG LYS A 659 10.298 7.552 4.012 1.00 0.00 C ATOM 723 CD LYS A 659 11.141 8.697 4.571 1.00 0.00 C ATOM 724 CE LYS A 659 10.946 10.009 3.812 1.00 0.00 C ATOM 725 NZ LYS A 659 11.970 10.989 4.211 1.00 0.00 N ATOM 0 H LYS A 659 8.481 6.157 2.960 1.00 0.00 H new ATOM 0 HA LYS A 659 10.601 5.616 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 659 11.805 7.293 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 659 10.252 7.817 1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 659 9.249 7.848 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 659 10.379 6.689 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 659 10.887 8.849 5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 659 12.194 8.416 4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 659 11.005 9.828 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 659 9.952 10.409 4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 11.825 11.876 3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 11.895 11.174 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 12.915 10.611 3.996 1.00 0.00 H new ATOM 739 N CYS A 660 12.355 4.272 2.417 1.00 0.00 N ATOM 740 CA CYS A 660 13.240 3.291 3.011 1.00 0.00 C ATOM 741 C CYS A 660 14.695 3.583 2.646 1.00 0.00 C ATOM 742 O CYS A 660 15.009 4.561 1.957 1.00 0.00 O ATOM 743 CB CYS A 660 12.796 1.907 2.499 1.00 0.00 C ATOM 744 SG CYS A 660 13.427 1.477 0.857 1.00 0.00 S ATOM 0 H CYS A 660 12.681 4.628 1.518 1.00 0.00 H new ATOM 0 HA CYS A 660 13.181 3.324 4.099 1.00 0.00 H new ATOM 0 HB2 CYS A 660 13.123 1.148 3.210 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.707 1.874 2.476 1.00 0.00 H new ATOM 749 N MET A 661 15.607 2.744 3.125 1.00 0.00 N ATOM 750 CA MET A 661 17.027 2.838 2.852 1.00 0.00 C ATOM 751 C MET A 661 17.606 1.463 3.087 1.00 0.00 C ATOM 752 O MET A 661 17.796 1.043 4.229 1.00 0.00 O ATOM 753 CB MET A 661 17.790 3.873 3.683 1.00 0.00 C ATOM 754 CG MET A 661 17.196 4.069 5.079 1.00 0.00 C ATOM 755 SD MET A 661 18.334 4.752 6.313 1.00 0.00 S ATOM 756 CE MET A 661 19.416 3.304 6.495 1.00 0.00 C ATOM 0 H MET A 661 15.367 1.959 3.731 1.00 0.00 H new ATOM 0 HA MET A 661 17.141 3.185 1.825 1.00 0.00 H new ATOM 0 HB2 MET A 661 18.830 3.561 3.777 1.00 0.00 H new ATOM 0 HB3 MET A 661 17.789 4.827 3.156 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.333 4.730 5.000 1.00 0.00 H new ATOM 0 HG3 MET A 661 16.830 3.108 5.439 1.00 0.00 H new ATOM 0 HE1 MET A 661 19.943 3.361 7.447 1.00 0.00 H new ATOM 0 HE2 MET A 661 18.815 2.395 6.467 1.00 0.00 H new ATOM 0 HE3 MET A 661 20.140 3.286 5.680 1.00 0.00 H new ATOM 766 N LEU A 662 17.767 0.728 2.000 1.00 0.00 N ATOM 767 CA LEU A 662 18.350 -0.599 2.042 1.00 0.00 C ATOM 768 C LEU A 662 19.822 -0.429 2.445 1.00 0.00 C ATOM 769 O LEU A 662 20.348 0.690 2.389 1.00 0.00 O ATOM 770 CB LEU A 662 18.261 -1.217 0.636 1.00 0.00 C ATOM 771 CG LEU A 662 16.933 -1.869 0.248 1.00 0.00 C ATOM 772 CD1 LEU A 662 16.566 -3.065 1.107 1.00 0.00 C ATOM 773 CD2 LEU A 662 15.753 -0.925 0.340 1.00 0.00 C ATOM 0 H LEU A 662 17.497 1.035 1.066 1.00 0.00 H new ATOM 0 HA LEU A 662 17.832 -1.247 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.481 -0.436 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.046 -1.967 0.545 1.00 0.00 H new ATOM 0 HG LEU A 662 17.112 -2.175 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 662 15.613 -3.474 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 662 17.340 -3.828 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 662 16.482 -2.753 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 662 14.843 -1.451 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 662 15.655 -0.564 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 662 15.911 -0.079 -0.329 1.00 0.00 H new ATOM 785 N PRO A 663 20.507 -1.504 2.856 1.00 0.00 N ATOM 786 CA PRO A 663 21.913 -1.413 3.214 1.00 0.00 C ATOM 787 C PRO A 663 22.704 -1.111 1.934 1.00 0.00 C ATOM 788 O PRO A 663 22.144 -1.101 0.834 1.00 0.00 O ATOM 789 CB PRO A 663 22.266 -2.772 3.824 1.00 0.00 C ATOM 790 CG PRO A 663 21.287 -3.715 3.133 1.00 0.00 C ATOM 791 CD PRO A 663 20.028 -2.868 2.973 1.00 0.00 C ATOM 0 HA PRO A 663 22.145 -0.623 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.302 -3.048 3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.136 -2.776 4.906 1.00 0.00 H new ATOM 0 HG2 PRO A 663 21.668 -4.053 2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 663 21.098 -4.606 3.732 1.00 0.00 H new ATOM 0 HD2 PRO A 663 19.462 -3.165 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.364 -2.981 3.830 1.00 0.00 H new ATOM 799 N GLU A 664 23.995 -0.815 2.044 1.00 0.00 N ATOM 800 CA GLU A 664 24.781 -0.534 0.847 1.00 0.00 C ATOM 801 C GLU A 664 24.896 -1.803 -0.001 1.00 0.00 C ATOM 802 O GLU A 664 24.890 -2.916 0.533 1.00 0.00 O ATOM 803 CB GLU A 664 26.133 0.075 1.211 1.00 0.00 C ATOM 804 CG GLU A 664 27.108 -0.893 1.882 1.00 0.00 C ATOM 805 CD GLU A 664 28.145 -0.083 2.658 1.00 0.00 C ATOM 806 OE1 GLU A 664 28.862 0.730 2.027 1.00 0.00 O ATOM 807 OE2 GLU A 664 28.113 -0.137 3.909 1.00 0.00 O ATOM 0 H GLU A 664 24.509 -0.764 2.924 1.00 0.00 H new ATOM 0 HA GLU A 664 24.273 0.215 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.596 0.466 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 664 25.968 0.923 1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.572 -1.564 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 664 27.598 -1.516 1.133 1.00 0.00 H new ATOM 814 N CYS A 665 25.005 -1.632 -1.320 1.00 0.00 N ATOM 815 CA CYS A 665 25.107 -2.751 -2.253 1.00 0.00 C ATOM 816 C CYS A 665 26.335 -3.617 -1.939 1.00 0.00 C ATOM 817 O CYS A 665 27.444 -3.079 -1.969 1.00 0.00 O ATOM 818 CB CYS A 665 25.167 -2.267 -3.710 1.00 0.00 C ATOM 819 SG CYS A 665 23.578 -2.260 -4.588 1.00 0.00 S ATOM 0 H CYS A 665 25.025 -0.716 -1.768 1.00 0.00 H new ATOM 0 HA CYS A 665 24.208 -3.355 -2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 665 25.576 -1.257 -3.724 1.00 0.00 H new ATOM 0 HB3 CYS A 665 25.864 -2.901 -4.258 1.00 0.00 H new ATOM 824 N PRO A 666 26.171 -4.924 -1.654 1.00 0.00 N ATOM 825 CA PRO A 666 27.277 -5.825 -1.366 1.00 0.00 C ATOM 826 C PRO A 666 27.963 -6.180 -2.684 1.00 0.00 C ATOM 827 O PRO A 666 29.069 -5.674 -2.965 1.00 0.00 O ATOM 828 CB PRO A 666 26.638 -7.040 -0.682 1.00 0.00 C ATOM 829 CG PRO A 666 25.222 -7.088 -1.256 1.00 0.00 C ATOM 830 CD PRO A 666 24.900 -5.634 -1.583 1.00 0.00 C ATOM 0 HA PRO A 666 28.043 -5.398 -0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 666 27.188 -7.955 -0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 666 26.625 -6.926 0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 666 25.174 -7.716 -2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 666 24.515 -7.500 -0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 666 24.364 -5.561 -2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 666 24.257 -5.199 -0.818 1.00 0.00 H new TER 838 PRO A 666