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= 0.126 USER MOD Single : A 618 SER OG : rot -170:sc= -0.127 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 160:sc= 0.0563 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 MET CE :methyl -168:sc= -0.0253 (180deg=-0.22) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.11) USER MOD Single : A 640 MET CE :methyl -177:sc= 0 (180deg=-0.00778) USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 643 SER OG : rot -153:sc= 1.22 USER MOD Single : A 651 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.49) USER MOD Single : A 656 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.11) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl 167:sc= -0.0546 (180deg=-0.302) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 611 -29.595 -0.149 6.252 1.00 0.00 N ATOM 2 CA GLY A 611 -29.923 0.792 5.178 1.00 0.00 C ATOM 3 C GLY A 611 -28.751 0.845 4.227 1.00 0.00 C ATOM 4 O GLY A 611 -28.654 0.013 3.325 1.00 0.00 O ATOM 0 HA2 GLY A 611 -30.824 0.473 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -30.126 1.782 5.588 1.00 0.00 H new ATOM 8 N SER A 612 -27.864 1.821 4.401 1.00 0.00 N ATOM 9 CA SER A 612 -26.670 1.979 3.591 1.00 0.00 C ATOM 10 C SER A 612 -25.620 0.990 4.127 1.00 0.00 C ATOM 11 O SER A 612 -25.912 0.090 4.929 1.00 0.00 O ATOM 12 CB SER A 612 -26.223 3.447 3.674 1.00 0.00 C ATOM 13 OG SER A 612 -25.223 3.756 2.720 1.00 0.00 O ATOM 0 H SER A 612 -27.961 2.535 5.123 1.00 0.00 H new ATOM 0 HA SER A 612 -26.835 1.755 2.537 1.00 0.00 H new ATOM 0 HB2 SER A 612 -27.084 4.097 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 612 -25.844 3.654 4.675 1.00 0.00 H new ATOM 0 HG SER A 612 -24.969 4.699 2.806 1.00 0.00 H new ATOM 19 N ILE A 613 -24.386 1.132 3.662 1.00 0.00 N ATOM 20 CA ILE A 613 -23.224 0.340 4.023 1.00 0.00 C ATOM 21 C ILE A 613 -22.090 1.303 4.338 1.00 0.00 C ATOM 22 O ILE A 613 -22.101 2.441 3.855 1.00 0.00 O ATOM 23 CB ILE A 613 -22.800 -0.585 2.864 1.00 0.00 C ATOM 24 CG1 ILE A 613 -22.116 0.102 1.660 1.00 0.00 C ATOM 25 CG2 ILE A 613 -23.978 -1.432 2.393 1.00 0.00 C ATOM 26 CD1 ILE A 613 -22.891 1.214 0.950 1.00 0.00 C ATOM 0 H ILE A 613 -24.158 1.853 2.977 1.00 0.00 H new ATOM 0 HA ILE A 613 -23.463 -0.287 4.882 1.00 0.00 H new ATOM 0 HB ILE A 613 -22.022 -1.214 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 613 -21.169 0.518 2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 613 -21.879 -0.666 0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 613 -23.658 -2.078 1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 613 -24.339 -2.045 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 613 -24.780 -0.780 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 613 -22.293 1.606 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 613 -23.827 0.814 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 613 -23.106 2.016 1.656 1.00 0.00 H new ATOM 38 N PRO A 614 -21.106 0.899 5.142 1.00 0.00 N ATOM 39 CA PRO A 614 -20.000 1.778 5.418 1.00 0.00 C ATOM 40 C PRO A 614 -18.941 1.599 4.317 1.00 0.00 C ATOM 41 O PRO A 614 -19.186 0.885 3.343 1.00 0.00 O ATOM 42 CB PRO A 614 -19.533 1.311 6.780 1.00 0.00 C ATOM 43 CG PRO A 614 -19.684 -0.211 6.691 1.00 0.00 C ATOM 44 CD PRO A 614 -20.932 -0.379 5.818 1.00 0.00 C ATOM 0 HA PRO A 614 -20.235 2.842 5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -18.501 1.604 6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -20.141 1.731 7.581 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -18.809 -0.678 6.239 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -19.815 -0.663 7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -20.803 -1.189 5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -21.804 -0.625 6.423 1.00 0.00 H new ATOM 52 N CYS A 615 -17.764 2.215 4.445 1.00 0.00 N ATOM 53 CA CYS A 615 -16.703 2.071 3.450 1.00 0.00 C ATOM 54 C CYS A 615 -16.048 0.698 3.591 1.00 0.00 C ATOM 55 O CYS A 615 -14.961 0.546 4.142 1.00 0.00 O ATOM 56 CB CYS A 615 -15.706 3.219 3.529 1.00 0.00 C ATOM 57 SG CYS A 615 -16.506 4.810 3.225 1.00 0.00 S ATOM 0 H CYS A 615 -17.523 2.819 5.230 1.00 0.00 H new ATOM 0 HA CYS A 615 -17.136 2.127 2.451 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -15.237 3.228 4.513 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -14.912 3.064 2.799 1.00 0.00 H new ATOM 62 N LEU A 616 -16.757 -0.306 3.089 1.00 0.00 N ATOM 63 CA LEU A 616 -16.436 -1.713 3.050 1.00 0.00 C ATOM 64 C LEU A 616 -15.179 -1.883 2.209 1.00 0.00 C ATOM 65 O LEU A 616 -15.257 -1.812 0.981 1.00 0.00 O ATOM 66 CB LEU A 616 -17.655 -2.437 2.474 1.00 0.00 C ATOM 67 CG LEU A 616 -17.529 -3.955 2.644 1.00 0.00 C ATOM 68 CD1 LEU A 616 -18.924 -4.556 2.642 1.00 0.00 C ATOM 69 CD2 LEU A 616 -16.662 -4.613 1.575 1.00 0.00 C ATOM 0 H LEU A 616 -17.663 -0.127 2.656 1.00 0.00 H new ATOM 0 HA LEU A 616 -16.226 -2.137 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.559 -2.086 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.760 -2.194 1.417 1.00 0.00 H new ATOM 0 HG LEU A 616 -17.025 -4.146 3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -18.855 -5.637 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -19.502 -4.136 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -19.418 -4.327 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -16.615 -5.687 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -17.094 -4.428 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -15.656 -4.194 1.614 1.00 0.00 H new ATOM 81 N LEU A 617 -14.024 -2.117 2.829 1.00 0.00 N ATOM 82 CA LEU A 617 -12.747 -2.291 2.139 1.00 0.00 C ATOM 83 C LEU A 617 -11.952 -3.388 2.841 1.00 0.00 C ATOM 84 O LEU A 617 -11.964 -3.473 4.075 1.00 0.00 O ATOM 85 CB LEU A 617 -11.944 -0.981 2.197 1.00 0.00 C ATOM 86 CG LEU A 617 -12.577 0.229 1.477 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.974 1.511 2.039 1.00 0.00 C ATOM 88 CD2 LEU A 617 -12.341 0.193 -0.037 1.00 0.00 C ATOM 0 H LEU A 617 -13.948 -2.192 3.843 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.929 -2.561 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -11.791 -0.717 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.959 -1.161 1.766 1.00 0.00 H new ATOM 0 HG LEU A 617 -13.653 0.191 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -12.415 2.372 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -12.178 1.571 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.896 1.508 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -12.805 1.065 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -11.270 0.203 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -12.780 -0.714 -0.452 1.00 0.00 H new ATOM 100 N SER A 618 -11.296 -4.268 2.087 1.00 0.00 N ATOM 101 CA SER A 618 -10.493 -5.321 2.695 1.00 0.00 C ATOM 102 C SER A 618 -9.213 -4.716 3.282 1.00 0.00 C ATOM 103 O SER A 618 -8.799 -3.626 2.855 1.00 0.00 O ATOM 104 CB SER A 618 -10.153 -6.383 1.651 1.00 0.00 C ATOM 105 OG SER A 618 -11.281 -7.205 1.473 1.00 0.00 O ATOM 0 H SER A 618 -11.305 -4.272 1.067 1.00 0.00 H new ATOM 0 HA SER A 618 -11.060 -5.793 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 618 -9.873 -5.913 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 618 -9.299 -6.976 1.977 1.00 0.00 H new ATOM 0 HG SER A 618 -11.036 -7.983 0.929 1.00 0.00 H new ATOM 111 N PRO A 619 -8.589 -5.400 4.259 1.00 0.00 N ATOM 112 CA PRO A 619 -7.364 -4.913 4.862 1.00 0.00 C ATOM 113 C PRO A 619 -6.262 -4.922 3.802 1.00 0.00 C ATOM 114 O PRO A 619 -6.389 -5.536 2.737 1.00 0.00 O ATOM 115 CB PRO A 619 -7.087 -5.834 6.052 1.00 0.00 C ATOM 116 CG PRO A 619 -7.773 -7.141 5.673 1.00 0.00 C ATOM 117 CD PRO A 619 -8.972 -6.679 4.846 1.00 0.00 C ATOM 0 HA PRO A 619 -7.426 -3.886 5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -6.017 -5.975 6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.492 -5.424 6.977 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -7.113 -7.790 5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -8.084 -7.703 6.554 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -9.215 -7.406 4.071 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.858 -6.571 5.471 1.00 0.00 H new ATOM 125 N TRP A 620 -5.175 -4.215 4.078 1.00 0.00 N ATOM 126 CA TRP A 620 -4.078 -4.140 3.138 1.00 0.00 C ATOM 127 C TRP A 620 -3.294 -5.449 3.063 1.00 0.00 C ATOM 128 O TRP A 620 -3.370 -6.293 3.962 1.00 0.00 O ATOM 129 CB TRP A 620 -3.210 -2.936 3.496 1.00 0.00 C ATOM 130 CG TRP A 620 -3.897 -1.630 3.223 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.829 -1.040 4.005 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.762 -0.767 2.054 1.00 0.00 C ATOM 133 NE1 TRP A 620 -5.258 0.132 3.418 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.651 0.339 2.201 1.00 0.00 C ATOM 135 CE3 TRP A 620 -2.991 -0.815 0.875 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.777 1.338 1.227 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.105 0.194 -0.096 1.00 0.00 C ATOM 138 CH2 TRP A 620 -4.003 1.260 0.065 1.00 0.00 C ATOM 0 H TRP A 620 -5.034 -3.690 4.941 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.468 -3.995 2.131 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.941 -2.987 4.551 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -2.281 -2.980 2.927 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -5.184 -1.428 4.948 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -5.940 0.766 3.834 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.306 -1.635 0.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -5.464 2.159 1.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.490 0.148 -0.983 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -4.096 2.014 -0.702 1.00 0.00 H new ATOM 149 N SER A 621 -2.598 -5.639 1.941 1.00 0.00 N ATOM 150 CA SER A 621 -1.746 -6.797 1.722 1.00 0.00 C ATOM 151 C SER A 621 -0.453 -6.489 2.493 1.00 0.00 C ATOM 152 O SER A 621 -0.316 -5.417 3.083 1.00 0.00 O ATOM 153 CB SER A 621 -1.467 -6.917 0.218 1.00 0.00 C ATOM 154 OG SER A 621 -0.747 -8.088 -0.114 1.00 0.00 O ATOM 0 H SER A 621 -2.613 -4.987 1.157 1.00 0.00 H new ATOM 0 HA SER A 621 -2.192 -7.734 2.056 1.00 0.00 H new ATOM 0 HB2 SER A 621 -2.413 -6.912 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.905 -6.044 -0.113 1.00 0.00 H new ATOM 0 HG SER A 621 -0.597 -8.117 -1.082 1.00 0.00 H new ATOM 160 N GLU A 622 0.487 -7.414 2.578 1.00 0.00 N ATOM 161 CA GLU A 622 1.758 -7.175 3.262 1.00 0.00 C ATOM 162 C GLU A 622 2.664 -6.368 2.318 1.00 0.00 C ATOM 163 O GLU A 622 2.508 -6.454 1.095 1.00 0.00 O ATOM 164 CB GLU A 622 2.380 -8.523 3.650 1.00 0.00 C ATOM 165 CG GLU A 622 2.660 -9.418 2.430 1.00 0.00 C ATOM 166 CD GLU A 622 2.785 -10.902 2.750 1.00 0.00 C ATOM 167 OE1 GLU A 622 2.079 -11.416 3.654 1.00 0.00 O ATOM 168 OE2 GLU A 622 3.495 -11.604 1.991 1.00 0.00 O ATOM 0 H GLU A 622 0.398 -8.349 2.179 1.00 0.00 H new ATOM 0 HA GLU A 622 1.619 -6.603 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 622 3.311 -8.348 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 622 1.710 -9.045 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 622 1.858 -9.282 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 622 3.581 -9.083 1.954 1.00 0.00 H new ATOM 175 N TRP A 623 3.606 -5.581 2.851 1.00 0.00 N ATOM 176 CA TRP A 623 4.518 -4.804 2.014 1.00 0.00 C ATOM 177 C TRP A 623 5.381 -5.735 1.149 1.00 0.00 C ATOM 178 O TRP A 623 5.568 -6.919 1.452 1.00 0.00 O ATOM 179 CB TRP A 623 5.446 -3.927 2.873 1.00 0.00 C ATOM 180 CG TRP A 623 4.880 -2.662 3.438 1.00 0.00 C ATOM 181 CD1 TRP A 623 4.570 -2.438 4.734 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.617 -1.404 2.749 1.00 0.00 C ATOM 183 NE1 TRP A 623 4.117 -1.143 4.879 1.00 0.00 N ATOM 184 CE2 TRP A 623 4.030 -0.493 3.674 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.828 -0.928 1.442 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.521 0.756 3.292 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.391 0.354 1.080 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.665 1.161 1.958 1.00 0.00 C ATOM 0 H TRP A 623 3.754 -5.468 3.854 1.00 0.00 H new ATOM 0 HA TRP A 623 3.909 -4.165 1.375 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.807 -4.534 3.704 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.315 -3.665 2.269 1.00 0.00 H new ATOM 0 HD1 TRP A 623 4.662 -3.160 5.532 1.00 0.00 H new ATOM 0 HE1 TRP A 623 3.876 -0.719 5.775 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.328 -1.552 0.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 3.028 1.393 4.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.623 0.728 0.094 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.221 2.084 1.614 1.00 0.00 H new ATOM 199 N SER A 624 5.908 -5.179 0.062 1.00 0.00 N ATOM 200 CA SER A 624 6.783 -5.851 -0.886 1.00 0.00 C ATOM 201 C SER A 624 8.153 -5.171 -0.769 1.00 0.00 C ATOM 202 O SER A 624 8.308 -4.179 -0.042 1.00 0.00 O ATOM 203 CB SER A 624 6.167 -5.758 -2.292 1.00 0.00 C ATOM 204 OG SER A 624 6.766 -6.667 -3.202 1.00 0.00 O ATOM 0 H SER A 624 5.728 -4.207 -0.190 1.00 0.00 H new ATOM 0 HA SER A 624 6.903 -6.915 -0.681 1.00 0.00 H new ATOM 0 HB2 SER A 624 5.097 -5.959 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 624 6.280 -4.742 -2.669 1.00 0.00 H new ATOM 0 HG SER A 624 6.344 -6.575 -4.082 1.00 0.00 H new ATOM 210 N ASP A 625 9.162 -5.705 -1.454 1.00 0.00 N ATOM 211 CA ASP A 625 10.506 -5.136 -1.432 1.00 0.00 C ATOM 212 C ASP A 625 10.485 -3.741 -2.078 1.00 0.00 C ATOM 213 O ASP A 625 9.558 -3.412 -2.827 1.00 0.00 O ATOM 214 CB ASP A 625 11.479 -6.084 -2.138 1.00 0.00 C ATOM 215 CG ASP A 625 12.926 -5.602 -2.070 1.00 0.00 C ATOM 216 OD1 ASP A 625 13.317 -4.966 -1.065 1.00 0.00 O ATOM 217 OD2 ASP A 625 13.671 -5.900 -3.033 1.00 0.00 O ATOM 0 H ASP A 625 9.072 -6.538 -2.036 1.00 0.00 H new ATOM 0 HA ASP A 625 10.849 -5.019 -0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.408 -7.073 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 625 11.184 -6.189 -3.182 1.00 0.00 H new ATOM 222 N CYS A 626 11.456 -2.893 -1.748 1.00 0.00 N ATOM 223 CA CYS A 626 11.564 -1.537 -2.273 1.00 0.00 C ATOM 224 C CYS A 626 12.126 -1.517 -3.692 1.00 0.00 C ATOM 225 O CYS A 626 12.746 -2.478 -4.145 1.00 0.00 O ATOM 226 CB CYS A 626 12.509 -0.721 -1.390 1.00 0.00 C ATOM 227 SG CYS A 626 11.924 -0.347 0.286 1.00 0.00 S ATOM 0 H CYS A 626 12.203 -3.135 -1.096 1.00 0.00 H new ATOM 0 HA CYS A 626 10.559 -1.115 -2.282 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.453 -1.260 -1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 626 12.722 0.221 -1.896 1.00 0.00 H new ATOM 232 N SER A 627 11.972 -0.378 -4.363 1.00 0.00 N ATOM 233 CA SER A 627 12.420 -0.073 -5.716 1.00 0.00 C ATOM 234 C SER A 627 13.948 0.097 -5.822 1.00 0.00 C ATOM 235 O SER A 627 14.460 0.668 -6.791 1.00 0.00 O ATOM 236 CB SER A 627 11.659 1.174 -6.184 1.00 0.00 C ATOM 237 OG SER A 627 11.587 2.184 -5.199 1.00 0.00 O ATOM 0 H SER A 627 11.493 0.417 -3.940 1.00 0.00 H new ATOM 0 HA SER A 627 12.198 -0.916 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 627 12.145 1.576 -7.073 1.00 0.00 H new ATOM 0 HB3 SER A 627 10.649 0.887 -6.476 1.00 0.00 H new ATOM 0 HG SER A 627 11.392 3.044 -5.626 1.00 0.00 H new ATOM 243 N VAL A 628 14.693 -0.294 -4.789 1.00 0.00 N ATOM 244 CA VAL A 628 16.134 -0.211 -4.708 1.00 0.00 C ATOM 245 C VAL A 628 16.606 -1.352 -3.815 1.00 0.00 C ATOM 246 O VAL A 628 15.866 -1.799 -2.933 1.00 0.00 O ATOM 247 CB VAL A 628 16.523 1.167 -4.131 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.534 1.235 -2.598 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.883 1.613 -4.643 1.00 0.00 C ATOM 0 H VAL A 628 14.278 -0.696 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 628 16.605 -0.305 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 628 15.738 1.838 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 628 16.818 2.238 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.540 1.001 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.252 0.514 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 628 18.130 2.587 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.639 0.886 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.856 1.686 -5.730 1.00 0.00 H new ATOM 259 N THR A 629 17.852 -1.771 -3.997 1.00 0.00 N ATOM 260 CA THR A 629 18.442 -2.834 -3.198 1.00 0.00 C ATOM 261 C THR A 629 19.272 -2.225 -2.063 1.00 0.00 C ATOM 262 O THR A 629 19.398 -2.861 -1.014 1.00 0.00 O ATOM 263 CB THR A 629 19.347 -3.722 -4.065 1.00 0.00 C ATOM 264 OG1 THR A 629 18.817 -3.896 -5.364 1.00 0.00 O ATOM 265 CG2 THR A 629 19.577 -5.112 -3.470 1.00 0.00 C ATOM 0 H THR A 629 18.480 -1.384 -4.701 1.00 0.00 H new ATOM 0 HA THR A 629 17.638 -3.443 -2.785 1.00 0.00 H new ATOM 0 HB THR A 629 20.298 -3.191 -4.106 1.00 0.00 H new ATOM 0 HG1 THR A 629 19.418 -4.464 -5.889 1.00 0.00 H new ATOM 0 HG21 THR A 629 20.224 -5.688 -4.131 1.00 0.00 H new ATOM 0 HG22 THR A 629 20.050 -5.016 -2.493 1.00 0.00 H new ATOM 0 HG23 THR A 629 18.621 -5.624 -3.361 1.00 0.00 H new ATOM 273 N CYS A 630 19.806 -1.011 -2.250 1.00 0.00 N ATOM 274 CA CYS A 630 20.630 -0.297 -1.289 1.00 0.00 C ATOM 275 C CYS A 630 20.351 1.199 -1.329 1.00 0.00 C ATOM 276 O CYS A 630 19.974 1.738 -2.368 1.00 0.00 O ATOM 277 CB CYS A 630 22.119 -0.544 -1.562 1.00 0.00 C ATOM 278 SG CYS A 630 22.574 -1.062 -3.238 1.00 0.00 S ATOM 0 H CYS A 630 19.665 -0.485 -3.113 1.00 0.00 H new ATOM 0 HA CYS A 630 20.378 -0.675 -0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.662 0.373 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.469 -1.306 -0.865 1.00 0.00 H new ATOM 283 N GLY A 631 20.603 1.870 -0.208 1.00 0.00 N ATOM 284 CA GLY A 631 20.420 3.303 -0.066 1.00 0.00 C ATOM 285 C GLY A 631 18.957 3.753 -0.122 1.00 0.00 C ATOM 286 O GLY A 631 18.021 2.969 0.071 1.00 0.00 O ATOM 0 H GLY A 631 20.946 1.420 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 631 20.851 3.622 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 631 20.976 3.810 -0.855 1.00 0.00 H new ATOM 290 N LYS A 632 18.740 5.056 -0.329 1.00 0.00 N ATOM 291 CA LYS A 632 17.415 5.679 -0.401 1.00 0.00 C ATOM 292 C LYS A 632 16.557 5.019 -1.483 1.00 0.00 C ATOM 293 O LYS A 632 16.910 5.040 -2.664 1.00 0.00 O ATOM 294 CB LYS A 632 17.566 7.189 -0.636 1.00 0.00 C ATOM 295 CG LYS A 632 16.211 7.918 -0.693 1.00 0.00 C ATOM 296 CD LYS A 632 16.003 8.647 -2.027 1.00 0.00 C ATOM 297 CE LYS A 632 14.519 8.987 -2.183 1.00 0.00 C ATOM 298 NZ LYS A 632 14.278 10.014 -3.218 1.00 0.00 N ATOM 0 H LYS A 632 19.501 5.723 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 632 16.899 5.530 0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 632 18.172 7.618 0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 632 18.104 7.356 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 632 15.406 7.198 -0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 632 16.151 8.636 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 632 16.603 9.557 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 632 16.335 8.020 -2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 632 13.967 8.082 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 632 14.128 9.340 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 13.258 10.208 -3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 14.781 10.888 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 14.625 9.670 -4.136 1.00 0.00 H new ATOM 312 N GLY A 633 15.400 4.495 -1.091 1.00 0.00 N ATOM 313 CA GLY A 633 14.452 3.817 -1.955 1.00 0.00 C ATOM 314 C GLY A 633 13.008 4.177 -1.613 1.00 0.00 C ATOM 315 O GLY A 633 12.748 5.062 -0.791 1.00 0.00 O ATOM 0 H GLY A 633 15.088 4.535 -0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.655 4.080 -2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.588 2.739 -1.867 1.00 0.00 H new ATOM 319 N MET A 634 12.045 3.520 -2.256 1.00 0.00 N ATOM 320 CA MET A 634 10.615 3.717 -2.055 1.00 0.00 C ATOM 321 C MET A 634 9.939 2.356 -2.165 1.00 0.00 C ATOM 322 O MET A 634 10.480 1.437 -2.773 1.00 0.00 O ATOM 323 CB MET A 634 10.065 4.661 -3.141 1.00 0.00 C ATOM 324 CG MET A 634 10.648 6.080 -3.164 1.00 0.00 C ATOM 325 SD MET A 634 10.328 7.095 -1.691 1.00 0.00 S ATOM 326 CE MET A 634 8.512 7.186 -1.714 1.00 0.00 C ATOM 0 H MET A 634 12.250 2.809 -2.958 1.00 0.00 H new ATOM 0 HA MET A 634 10.422 4.161 -1.078 1.00 0.00 H new ATOM 0 HB2 MET A 634 10.241 4.203 -4.114 1.00 0.00 H new ATOM 0 HB3 MET A 634 8.985 4.736 -3.014 1.00 0.00 H new ATOM 0 HG2 MET A 634 11.727 6.006 -3.303 1.00 0.00 H new ATOM 0 HG3 MET A 634 10.249 6.601 -4.034 1.00 0.00 H new ATOM 0 HE1 MET A 634 8.177 7.943 -1.005 1.00 0.00 H new ATOM 0 HE2 MET A 634 8.174 7.451 -2.716 1.00 0.00 H new ATOM 0 HE3 MET A 634 8.096 6.218 -1.435 1.00 0.00 H new ATOM 336 N ARG A 635 8.745 2.201 -1.605 1.00 0.00 N ATOM 337 CA ARG A 635 7.993 0.944 -1.704 1.00 0.00 C ATOM 338 C ARG A 635 6.508 1.242 -1.811 1.00 0.00 C ATOM 339 O ARG A 635 6.086 2.373 -1.538 1.00 0.00 O ATOM 340 CB ARG A 635 8.291 0.009 -0.528 1.00 0.00 C ATOM 341 CG ARG A 635 8.166 0.724 0.813 1.00 0.00 C ATOM 342 CD ARG A 635 8.409 -0.257 1.945 1.00 0.00 C ATOM 343 NE ARG A 635 8.610 0.474 3.195 1.00 0.00 N ATOM 344 CZ ARG A 635 9.016 -0.095 4.334 1.00 0.00 C ATOM 345 NH1 ARG A 635 9.149 -1.412 4.429 1.00 0.00 N ATOM 346 NH2 ARG A 635 9.290 0.665 5.381 1.00 0.00 N ATOM 0 H ARG A 635 8.270 2.931 -1.074 1.00 0.00 H new ATOM 0 HA ARG A 635 8.313 0.423 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.604 -0.837 -0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.298 -0.395 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 635 8.885 1.541 0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.174 1.165 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.560 -0.934 2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 635 9.283 -0.870 1.726 1.00 0.00 H new ATOM 0 HE ARG A 635 8.430 1.478 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 635 8.940 -2.005 3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 635 9.460 -1.831 5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 635 9.191 1.678 5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 635 9.600 0.238 6.254 1.00 0.00 H new ATOM 360 N THR A 636 5.727 0.246 -2.203 1.00 0.00 N ATOM 361 CA THR A 636 4.287 0.322 -2.346 1.00 0.00 C ATOM 362 C THR A 636 3.678 -1.012 -1.901 1.00 0.00 C ATOM 363 O THR A 636 4.364 -2.038 -1.811 1.00 0.00 O ATOM 364 CB THR A 636 3.883 0.680 -3.782 1.00 0.00 C ATOM 365 OG1 THR A 636 4.374 -0.257 -4.724 1.00 0.00 O ATOM 366 CG2 THR A 636 4.414 2.049 -4.203 1.00 0.00 C ATOM 0 H THR A 636 6.099 -0.674 -2.439 1.00 0.00 H new ATOM 0 HA THR A 636 3.901 1.121 -1.712 1.00 0.00 H new ATOM 0 HB THR A 636 2.793 0.678 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 636 4.093 0.007 -5.625 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.104 2.261 -5.226 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.015 2.814 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 636 5.503 2.050 -4.146 1.00 0.00 H new ATOM 374 N ARG A 637 2.401 -0.971 -1.534 1.00 0.00 N ATOM 375 CA ARG A 637 1.587 -2.109 -1.138 1.00 0.00 C ATOM 376 C ARG A 637 0.196 -1.746 -1.642 1.00 0.00 C ATOM 377 O ARG A 637 -0.138 -0.556 -1.707 1.00 0.00 O ATOM 378 CB ARG A 637 1.657 -2.488 0.358 1.00 0.00 C ATOM 379 CG ARG A 637 0.990 -1.549 1.384 1.00 0.00 C ATOM 380 CD ARG A 637 0.457 -2.293 2.621 1.00 0.00 C ATOM 381 NE ARG A 637 1.316 -2.246 3.820 1.00 0.00 N ATOM 382 CZ ARG A 637 1.003 -2.794 5.009 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.074 -3.732 5.132 1.00 0.00 N ATOM 384 NH2 ARG A 637 1.607 -2.402 6.120 1.00 0.00 N ATOM 0 H ARG A 637 1.881 -0.094 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 637 1.956 -3.037 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.210 -3.475 0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.709 -2.581 0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.711 -0.796 1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.168 -1.019 0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.517 -1.878 2.879 1.00 0.00 H new ATOM 0 HD3 ARG A 637 0.298 -3.337 2.352 1.00 0.00 H new ATOM 0 HE ARG A 637 2.211 -1.764 3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -0.430 -4.061 4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.136 -4.124 6.050 1.00 0.00 H new ATOM 0 HH21 ARG A 637 2.321 -1.675 6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 637 1.358 -2.827 7.013 1.00 0.00 H new ATOM 398 N GLN A 638 -0.615 -2.734 -1.992 1.00 0.00 N ATOM 399 CA GLN A 638 -1.948 -2.490 -2.502 1.00 0.00 C ATOM 400 C GLN A 638 -2.945 -3.493 -1.940 1.00 0.00 C ATOM 401 O GLN A 638 -2.588 -4.419 -1.207 1.00 0.00 O ATOM 402 CB GLN A 638 -1.885 -2.411 -4.043 1.00 0.00 C ATOM 403 CG GLN A 638 -1.781 -3.741 -4.812 1.00 0.00 C ATOM 404 CD GLN A 638 -3.125 -4.421 -5.102 1.00 0.00 C ATOM 405 OE1 GLN A 638 -3.258 -5.636 -4.993 1.00 0.00 O ATOM 406 NE2 GLN A 638 -4.144 -3.698 -5.538 1.00 0.00 N ATOM 0 H GLN A 638 -0.365 -3.721 -1.929 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.328 -1.527 -2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.776 -1.888 -4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.027 -1.796 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -1.270 -3.559 -5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -1.158 -4.428 -4.240 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -4.048 -2.687 -5.634 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -5.025 -4.152 -5.778 1.00 0.00 H new ATOM 415 N ARG A 639 -4.219 -3.287 -2.247 1.00 0.00 N ATOM 416 CA ARG A 639 -5.324 -4.132 -1.837 1.00 0.00 C ATOM 417 C ARG A 639 -6.459 -3.929 -2.802 1.00 0.00 C ATOM 418 O ARG A 639 -6.601 -2.858 -3.384 1.00 0.00 O ATOM 419 CB ARG A 639 -5.776 -3.793 -0.415 1.00 0.00 C ATOM 420 CG ARG A 639 -6.160 -2.332 -0.139 1.00 0.00 C ATOM 421 CD ARG A 639 -7.657 -2.047 -0.319 1.00 0.00 C ATOM 422 NE ARG A 639 -7.935 -0.637 -0.017 1.00 0.00 N ATOM 423 CZ ARG A 639 -8.037 -0.102 1.202 1.00 0.00 C ATOM 424 NH1 ARG A 639 -8.174 -0.838 2.306 1.00 0.00 N ATOM 425 NH2 ARG A 639 -8.001 1.215 1.301 1.00 0.00 N ATOM 0 H ARG A 639 -4.519 -2.493 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 639 -5.004 -5.174 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.633 -4.421 -0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.975 -4.069 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.869 -2.075 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -5.592 -1.683 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.960 -2.276 -1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -8.241 -2.691 0.339 1.00 0.00 H new ATOM 0 HE ARG A 639 -8.062 -0.009 -0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -8.205 -1.855 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -8.248 -0.383 3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.898 1.787 0.463 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -8.076 1.660 2.216 1.00 0.00 H new ATOM 439 N MET A 640 -7.301 -4.937 -2.938 1.00 0.00 N ATOM 440 CA MET A 640 -8.444 -4.862 -3.820 1.00 0.00 C ATOM 441 C MET A 640 -9.666 -4.455 -3.014 1.00 0.00 C ATOM 442 O MET A 640 -9.731 -4.633 -1.792 1.00 0.00 O ATOM 443 CB MET A 640 -8.652 -6.219 -4.505 1.00 0.00 C ATOM 444 CG MET A 640 -7.492 -6.523 -5.459 1.00 0.00 C ATOM 445 SD MET A 640 -7.242 -5.298 -6.776 1.00 0.00 S ATOM 446 CE MET A 640 -8.720 -5.558 -7.797 1.00 0.00 C ATOM 0 H MET A 640 -7.210 -5.824 -2.442 1.00 0.00 H new ATOM 0 HA MET A 640 -8.277 -4.115 -4.596 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.727 -7.005 -3.753 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.592 -6.214 -5.056 1.00 0.00 H new ATOM 0 HG2 MET A 640 -6.574 -6.602 -4.877 1.00 0.00 H new ATOM 0 HG3 MET A 640 -7.663 -7.497 -5.917 1.00 0.00 H new ATOM 0 HE1 MET A 640 -8.676 -4.911 -8.673 1.00 0.00 H new ATOM 0 HE2 MET A 640 -8.763 -6.599 -8.117 1.00 0.00 H new ATOM 0 HE3 MET A 640 -9.611 -5.321 -7.215 1.00 0.00 H new ATOM 456 N LEU A 641 -10.627 -3.837 -3.701 1.00 0.00 N ATOM 457 CA LEU A 641 -11.878 -3.442 -3.073 1.00 0.00 C ATOM 458 C LEU A 641 -12.652 -4.754 -2.848 1.00 0.00 C ATOM 459 O LEU A 641 -12.312 -5.797 -3.423 1.00 0.00 O ATOM 460 CB LEU A 641 -12.581 -2.347 -3.899 1.00 0.00 C ATOM 461 CG LEU A 641 -13.634 -2.803 -4.918 1.00 0.00 C ATOM 462 CD1 LEU A 641 -14.325 -1.571 -5.506 1.00 0.00 C ATOM 463 CD2 LEU A 641 -12.992 -3.589 -6.055 1.00 0.00 C ATOM 0 H LEU A 641 -10.559 -3.601 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 641 -11.762 -2.955 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -13.060 -1.656 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -11.816 -1.784 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.352 -3.445 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -15.075 -1.886 -6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -14.807 -1.008 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -13.586 -0.940 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -13.761 -3.900 -6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -12.262 -2.960 -6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -12.493 -4.470 -5.652 1.00 0.00 H new ATOM 475 N LYS A 642 -13.672 -4.743 -1.991 1.00 0.00 N ATOM 476 CA LYS A 642 -14.451 -5.948 -1.692 1.00 0.00 C ATOM 477 C LYS A 642 -15.951 -5.694 -1.726 1.00 0.00 C ATOM 478 O LYS A 642 -16.736 -6.555 -1.336 1.00 0.00 O ATOM 479 CB LYS A 642 -13.921 -6.550 -0.380 1.00 0.00 C ATOM 480 CG LYS A 642 -13.866 -8.088 -0.365 1.00 0.00 C ATOM 481 CD LYS A 642 -15.156 -8.850 -0.077 1.00 0.00 C ATOM 482 CE LYS A 642 -15.887 -8.283 1.137 1.00 0.00 C ATOM 483 NZ LYS A 642 -16.886 -9.209 1.692 1.00 0.00 N ATOM 0 H LYS A 642 -13.981 -3.911 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 642 -14.314 -6.694 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.920 -6.161 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.552 -6.213 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -13.493 -8.418 -1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -13.128 -8.388 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -15.808 -8.804 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -14.927 -9.902 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -15.159 -8.037 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -16.380 -7.352 0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -17.349 -8.769 2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -17.600 -9.425 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -16.417 -10.088 1.989 1.00 0.00 H new ATOM 497 N SER A 643 -16.372 -4.503 -2.139 1.00 0.00 N ATOM 498 CA SER A 643 -17.785 -4.186 -2.238 1.00 0.00 C ATOM 499 C SER A 643 -18.390 -5.066 -3.350 1.00 0.00 C ATOM 500 O SER A 643 -17.670 -5.743 -4.097 1.00 0.00 O ATOM 501 CB SER A 643 -17.907 -2.678 -2.463 1.00 0.00 C ATOM 502 OG SER A 643 -19.251 -2.264 -2.502 1.00 0.00 O ATOM 0 H SER A 643 -15.750 -3.742 -2.410 1.00 0.00 H new ATOM 0 HA SER A 643 -18.352 -4.408 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 643 -17.386 -2.148 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 643 -17.416 -2.409 -3.398 1.00 0.00 H new ATOM 0 HG SER A 643 -19.326 -1.448 -3.039 1.00 0.00 H new ATOM 508 N LEU A 644 -19.722 -5.105 -3.437 1.00 0.00 N ATOM 509 CA LEU A 644 -20.450 -5.889 -4.432 1.00 0.00 C ATOM 510 C LEU A 644 -20.241 -5.360 -5.853 1.00 0.00 C ATOM 511 O LEU A 644 -20.423 -6.102 -6.814 1.00 0.00 O ATOM 512 CB LEU A 644 -21.950 -5.921 -4.090 1.00 0.00 C ATOM 513 CG LEU A 644 -22.742 -4.631 -4.403 1.00 0.00 C ATOM 514 CD1 LEU A 644 -24.218 -4.856 -4.066 1.00 0.00 C ATOM 515 CD2 LEU A 644 -22.289 -3.403 -3.612 1.00 0.00 C ATOM 0 H LEU A 644 -20.332 -4.584 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 644 -20.050 -6.903 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -22.409 -6.747 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -22.056 -6.140 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 644 -22.567 -4.430 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -24.783 -3.950 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -24.607 -5.679 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -24.317 -5.099 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -22.898 -2.544 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -22.404 -3.595 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -21.242 -3.194 -3.833 1.00 0.00 H new ATOM 527 N ALA A 645 -19.893 -4.081 -5.983 1.00 0.00 N ATOM 528 CA ALA A 645 -19.641 -3.392 -7.229 1.00 0.00 C ATOM 529 C ALA A 645 -18.490 -2.436 -6.938 1.00 0.00 C ATOM 530 O ALA A 645 -17.336 -2.836 -7.063 1.00 0.00 O ATOM 531 CB ALA A 645 -20.921 -2.715 -7.740 1.00 0.00 C ATOM 0 H ALA A 645 -19.775 -3.473 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 645 -19.356 -4.060 -8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -20.711 -2.202 -8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -21.691 -3.469 -7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -21.270 -1.993 -7.002 1.00 0.00 H new ATOM 537 N GLU A 646 -18.782 -1.221 -6.470 1.00 0.00 N ATOM 538 CA GLU A 646 -17.771 -0.215 -6.150 1.00 0.00 C ATOM 539 C GLU A 646 -18.060 0.423 -4.786 1.00 0.00 C ATOM 540 O GLU A 646 -18.928 -0.062 -4.052 1.00 0.00 O ATOM 541 CB GLU A 646 -17.641 0.806 -7.287 1.00 0.00 C ATOM 542 CG GLU A 646 -17.246 0.157 -8.619 1.00 0.00 C ATOM 543 CD GLU A 646 -16.834 1.158 -9.694 1.00 0.00 C ATOM 544 OE1 GLU A 646 -16.558 2.338 -9.367 1.00 0.00 O ATOM 545 OE2 GLU A 646 -16.673 0.737 -10.863 1.00 0.00 O ATOM 0 H GLU A 646 -19.737 -0.906 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 646 -16.797 -0.697 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -18.589 1.331 -7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -16.895 1.553 -7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -16.422 -0.535 -8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -18.085 -0.433 -8.988 1.00 0.00 H new ATOM 552 N LEU A 647 -17.294 1.449 -4.398 1.00 0.00 N ATOM 553 CA LEU A 647 -17.443 2.150 -3.125 1.00 0.00 C ATOM 554 C LEU A 647 -17.372 3.660 -3.396 1.00 0.00 C ATOM 555 O LEU A 647 -18.417 4.298 -3.508 1.00 0.00 O ATOM 556 CB LEU A 647 -16.410 1.587 -2.116 1.00 0.00 C ATOM 557 CG LEU A 647 -16.765 1.773 -0.629 1.00 0.00 C ATOM 558 CD1 LEU A 647 -17.088 3.227 -0.290 1.00 0.00 C ATOM 559 CD2 LEU A 647 -17.915 0.846 -0.208 1.00 0.00 C ATOM 0 H LEU A 647 -16.539 1.820 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 647 -18.411 1.983 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -16.282 0.522 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -15.448 2.063 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 647 -15.878 1.497 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -17.332 3.308 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -16.224 3.853 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -17.939 3.559 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -18.141 1.002 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -18.799 1.069 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -17.622 -0.192 -0.366 1.00 0.00 H new ATOM 571 N GLY A 648 -16.170 4.235 -3.473 1.00 0.00 N ATOM 572 CA GLY A 648 -15.858 5.639 -3.757 1.00 0.00 C ATOM 573 C GLY A 648 -16.223 6.661 -2.679 1.00 0.00 C ATOM 574 O GLY A 648 -15.576 7.695 -2.594 1.00 0.00 O ATOM 0 H GLY A 648 -15.322 3.688 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -14.788 5.716 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -16.369 5.920 -4.678 1.00 0.00 H new ATOM 578 N ASP A 649 -17.176 6.345 -1.807 1.00 0.00 N ATOM 579 CA ASP A 649 -17.704 7.164 -0.713 1.00 0.00 C ATOM 580 C ASP A 649 -16.624 7.865 0.127 1.00 0.00 C ATOM 581 O ASP A 649 -16.573 9.097 0.191 1.00 0.00 O ATOM 582 CB ASP A 649 -18.588 6.253 0.139 1.00 0.00 C ATOM 583 CG ASP A 649 -19.569 7.029 1.006 1.00 0.00 C ATOM 584 OD1 ASP A 649 -20.655 7.372 0.479 1.00 0.00 O ATOM 585 OD2 ASP A 649 -19.325 7.175 2.225 1.00 0.00 O ATOM 0 H ASP A 649 -17.638 5.437 -1.848 1.00 0.00 H new ATOM 0 HA ASP A 649 -18.277 7.990 -1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -19.142 5.578 -0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -17.957 5.634 0.777 1.00 0.00 H new ATOM 590 N CYS A 650 -15.740 7.080 0.756 1.00 0.00 N ATOM 591 CA CYS A 650 -14.648 7.595 1.581 1.00 0.00 C ATOM 592 C CYS A 650 -13.483 8.118 0.735 1.00 0.00 C ATOM 593 O CYS A 650 -12.463 8.498 1.316 1.00 0.00 O ATOM 594 CB CYS A 650 -14.107 6.510 2.525 1.00 0.00 C ATOM 595 SG CYS A 650 -15.160 6.131 3.937 1.00 0.00 S ATOM 0 H CYS A 650 -15.766 6.062 0.704 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.068 8.419 2.158 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -13.952 5.596 1.952 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -13.131 6.825 2.894 1.00 0.00 H new ATOM 600 N ASN A 651 -13.585 8.114 -0.600 1.00 0.00 N ATOM 601 CA ASN A 651 -12.545 8.563 -1.525 1.00 0.00 C ATOM 602 C ASN A 651 -11.217 7.843 -1.227 1.00 0.00 C ATOM 603 O ASN A 651 -10.133 8.411 -1.359 1.00 0.00 O ATOM 604 CB ASN A 651 -12.469 10.101 -1.476 1.00 0.00 C ATOM 605 CG ASN A 651 -11.560 10.683 -2.548 1.00 0.00 C ATOM 606 OD1 ASN A 651 -11.631 10.297 -3.710 1.00 0.00 O ATOM 607 ND2 ASN A 651 -10.716 11.635 -2.210 1.00 0.00 N ATOM 0 H ASN A 651 -14.424 7.786 -1.079 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.786 8.295 -2.554 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -13.471 10.513 -1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -12.110 10.411 -0.495 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -10.114 12.058 -2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -10.664 11.950 -1.241 1.00 0.00 H new ATOM 614 N GLU A 652 -11.291 6.597 -0.752 1.00 0.00 N ATOM 615 CA GLU A 652 -10.142 5.782 -0.395 1.00 0.00 C ATOM 616 C GLU A 652 -9.437 5.230 -1.637 1.00 0.00 C ATOM 617 O GLU A 652 -10.016 5.233 -2.722 1.00 0.00 O ATOM 618 CB GLU A 652 -10.626 4.662 0.541 1.00 0.00 C ATOM 619 CG GLU A 652 -9.525 4.147 1.470 1.00 0.00 C ATOM 620 CD GLU A 652 -8.972 5.253 2.354 1.00 0.00 C ATOM 621 OE1 GLU A 652 -9.651 5.624 3.338 1.00 0.00 O ATOM 622 OE2 GLU A 652 -7.872 5.763 2.035 1.00 0.00 O ATOM 0 H GLU A 652 -12.180 6.120 -0.603 1.00 0.00 H new ATOM 0 HA GLU A 652 -9.399 6.390 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -11.458 5.031 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -11.007 3.834 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -9.921 3.346 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -8.718 3.719 0.875 1.00 0.00 H new ATOM 629 N ASP A 653 -8.219 4.714 -1.469 1.00 0.00 N ATOM 630 CA ASP A 653 -7.396 4.158 -2.543 1.00 0.00 C ATOM 631 C ASP A 653 -7.192 2.655 -2.387 1.00 0.00 C ATOM 632 O ASP A 653 -7.540 2.043 -1.367 1.00 0.00 O ATOM 633 CB ASP A 653 -5.990 4.788 -2.535 1.00 0.00 C ATOM 634 CG ASP A 653 -5.970 6.297 -2.696 1.00 0.00 C ATOM 635 OD1 ASP A 653 -6.362 6.805 -3.774 1.00 0.00 O ATOM 636 OD2 ASP A 653 -5.495 6.972 -1.752 1.00 0.00 O ATOM 0 H ASP A 653 -7.765 4.670 -0.557 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.928 4.374 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.496 4.530 -1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -5.403 4.343 -3.338 1.00 0.00 H new ATOM 641 N LEU A 654 -6.586 2.070 -3.418 1.00 0.00 N ATOM 642 CA LEU A 654 -6.231 0.665 -3.524 1.00 0.00 C ATOM 643 C LEU A 654 -4.717 0.524 -3.367 1.00 0.00 C ATOM 644 O LEU A 654 -4.278 -0.560 -3.003 1.00 0.00 O ATOM 645 CB LEU A 654 -6.719 0.082 -4.861 1.00 0.00 C ATOM 646 CG LEU A 654 -8.247 0.135 -5.055 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.629 -0.594 -6.349 1.00 0.00 C ATOM 648 CD2 LEU A 654 -9.043 -0.465 -3.885 1.00 0.00 C ATOM 0 H LEU A 654 -6.316 2.599 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.721 0.099 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.242 0.625 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.391 -0.955 -4.933 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.510 1.191 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -9.710 -0.555 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.140 -0.112 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.308 -1.634 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -10.110 -0.391 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.770 -1.513 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.814 0.083 -2.971 1.00 0.00 H new ATOM 660 N GLU A 655 -3.926 1.583 -3.580 1.00 0.00 N ATOM 661 CA GLU A 655 -2.473 1.597 -3.446 1.00 0.00 C ATOM 662 C GLU A 655 -2.061 2.684 -2.446 1.00 0.00 C ATOM 663 O GLU A 655 -2.698 3.740 -2.355 1.00 0.00 O ATOM 664 CB GLU A 655 -1.793 1.852 -4.810 1.00 0.00 C ATOM 665 CG GLU A 655 -0.262 2.003 -4.666 1.00 0.00 C ATOM 666 CD GLU A 655 0.464 2.350 -5.960 1.00 0.00 C ATOM 667 OE1 GLU A 655 0.531 3.551 -6.295 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.092 1.450 -6.560 1.00 0.00 O ATOM 0 H GLU A 655 -4.301 2.489 -3.862 1.00 0.00 H new ATOM 0 HA GLU A 655 -2.149 0.622 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.015 1.027 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.207 2.754 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.054 2.778 -3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.147 1.072 -4.274 1.00 0.00 H new ATOM 675 N GLN A 656 -0.983 2.415 -1.709 1.00 0.00 N ATOM 676 CA GLN A 656 -0.364 3.298 -0.742 1.00 0.00 C ATOM 677 C GLN A 656 1.145 3.096 -0.883 1.00 0.00 C ATOM 678 O GLN A 656 1.620 1.983 -1.133 1.00 0.00 O ATOM 679 CB GLN A 656 -0.852 3.041 0.688 1.00 0.00 C ATOM 680 CG GLN A 656 -2.045 3.948 1.045 1.00 0.00 C ATOM 681 CD GLN A 656 -2.452 3.854 2.514 1.00 0.00 C ATOM 682 OE1 GLN A 656 -3.623 3.737 2.863 1.00 0.00 O ATOM 683 NE2 GLN A 656 -1.517 3.981 3.447 1.00 0.00 N ATOM 0 H GLN A 656 -0.497 1.521 -1.781 1.00 0.00 H new ATOM 0 HA GLN A 656 -0.639 4.334 -0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -1.143 1.996 0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 656 -0.037 3.216 1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -1.791 4.982 0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -2.897 3.680 0.420 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -0.538 4.079 3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -1.777 3.980 4.433 1.00 0.00 H new ATOM 692 N ALA A 657 1.897 4.182 -0.718 1.00 0.00 N ATOM 693 CA ALA A 657 3.351 4.211 -0.821 1.00 0.00 C ATOM 694 C ALA A 657 3.991 4.541 0.526 1.00 0.00 C ATOM 695 O ALA A 657 3.330 5.035 1.445 1.00 0.00 O ATOM 696 CB ALA A 657 3.760 5.233 -1.892 1.00 0.00 C ATOM 0 H ALA A 657 1.496 5.095 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 657 3.709 3.224 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 657 4.847 5.259 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 657 3.331 4.946 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 657 3.393 6.220 -1.612 1.00 0.00 H new ATOM 702 N GLU A 658 5.287 4.264 0.648 1.00 0.00 N ATOM 703 CA GLU A 658 6.070 4.512 1.848 1.00 0.00 C ATOM 704 C GLU A 658 7.530 4.683 1.447 1.00 0.00 C ATOM 705 O GLU A 658 8.013 4.058 0.496 1.00 0.00 O ATOM 706 CB GLU A 658 5.891 3.333 2.829 1.00 0.00 C ATOM 707 CG GLU A 658 6.783 3.300 4.083 1.00 0.00 C ATOM 708 CD GLU A 658 6.592 4.470 5.061 1.00 0.00 C ATOM 709 OE1 GLU A 658 6.010 5.513 4.681 1.00 0.00 O ATOM 710 OE2 GLU A 658 7.100 4.360 6.205 1.00 0.00 O ATOM 0 H GLU A 658 5.833 3.850 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 658 5.734 5.420 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 658 4.852 3.325 3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.057 2.409 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 658 6.595 2.368 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 658 7.826 3.281 3.766 1.00 0.00 H new ATOM 717 N LYS A 659 8.243 5.549 2.163 1.00 0.00 N ATOM 718 CA LYS A 659 9.658 5.800 1.919 1.00 0.00 C ATOM 719 C LYS A 659 10.474 4.757 2.653 1.00 0.00 C ATOM 720 O LYS A 659 10.090 4.329 3.745 1.00 0.00 O ATOM 721 CB LYS A 659 10.057 7.150 2.510 1.00 0.00 C ATOM 722 CG LYS A 659 9.520 8.318 1.693 1.00 0.00 C ATOM 723 CD LYS A 659 9.637 9.635 2.466 1.00 0.00 C ATOM 724 CE LYS A 659 11.083 10.079 2.698 1.00 0.00 C ATOM 725 NZ LYS A 659 11.170 11.129 3.734 1.00 0.00 N ATOM 0 H LYS A 659 7.853 6.097 2.930 1.00 0.00 H new ATOM 0 HA LYS A 659 9.834 5.776 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 659 9.684 7.222 3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 659 11.144 7.215 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 659 10.071 8.393 0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 659 8.477 8.136 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 659 9.108 10.416 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 659 9.139 9.527 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 659 11.684 9.221 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 659 11.504 10.452 1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 12.164 11.406 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 10.616 11.957 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 10.791 10.764 4.631 1.00 0.00 H new ATOM 739 N CYS A 660 11.610 4.367 2.091 1.00 0.00 N ATOM 740 CA CYS A 660 12.476 3.395 2.731 1.00 0.00 C ATOM 741 C CYS A 660 13.942 3.727 2.436 1.00 0.00 C ATOM 742 O CYS A 660 14.237 4.457 1.489 1.00 0.00 O ATOM 743 CB CYS A 660 12.043 2.010 2.245 1.00 0.00 C ATOM 744 SG CYS A 660 12.592 1.556 0.577 1.00 0.00 S ATOM 0 H CYS A 660 11.951 4.711 1.193 1.00 0.00 H new ATOM 0 HA CYS A 660 12.388 3.416 3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 660 12.418 1.265 2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 660 10.955 1.958 2.276 1.00 0.00 H new ATOM 749 N MET A 661 14.874 3.222 3.238 1.00 0.00 N ATOM 750 CA MET A 661 16.301 3.447 3.035 1.00 0.00 C ATOM 751 C MET A 661 16.966 2.137 3.365 1.00 0.00 C ATOM 752 O MET A 661 17.032 1.745 4.536 1.00 0.00 O ATOM 753 CB MET A 661 16.944 4.538 3.894 1.00 0.00 C ATOM 754 CG MET A 661 16.364 5.947 3.783 1.00 0.00 C ATOM 755 SD MET A 661 14.694 6.223 4.438 1.00 0.00 S ATOM 756 CE MET A 661 14.889 5.723 6.163 1.00 0.00 C ATOM 0 H MET A 661 14.660 2.643 4.050 1.00 0.00 H new ATOM 0 HA MET A 661 16.431 3.794 2.010 1.00 0.00 H new ATOM 0 HB2 MET A 661 16.881 4.228 4.937 1.00 0.00 H new ATOM 0 HB3 MET A 661 18.003 4.588 3.640 1.00 0.00 H new ATOM 0 HG2 MET A 661 17.042 6.631 4.294 1.00 0.00 H new ATOM 0 HG3 MET A 661 16.362 6.227 2.730 1.00 0.00 H new ATOM 0 HE1 MET A 661 14.023 6.052 6.737 1.00 0.00 H new ATOM 0 HE2 MET A 661 14.971 4.638 6.220 1.00 0.00 H new ATOM 0 HE3 MET A 661 15.791 6.177 6.574 1.00 0.00 H new ATOM 766 N LEU A 662 17.338 1.420 2.320 1.00 0.00 N ATOM 767 CA LEU A 662 18.012 0.148 2.442 1.00 0.00 C ATOM 768 C LEU A 662 19.439 0.396 2.944 1.00 0.00 C ATOM 769 O LEU A 662 19.911 1.537 2.890 1.00 0.00 O ATOM 770 CB LEU A 662 18.089 -0.489 1.044 1.00 0.00 C ATOM 771 CG LEU A 662 16.887 -1.277 0.529 1.00 0.00 C ATOM 772 CD1 LEU A 662 16.759 -2.621 1.234 1.00 0.00 C ATOM 773 CD2 LEU A 662 15.563 -0.532 0.626 1.00 0.00 C ATOM 0 H LEU A 662 17.177 1.710 1.355 1.00 0.00 H new ATOM 0 HA LEU A 662 17.478 -0.504 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.293 0.308 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 662 18.951 -1.156 1.032 1.00 0.00 H new ATOM 0 HG LEU A 662 17.091 -1.428 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 662 15.893 -3.156 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 662 17.659 -3.211 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 662 16.633 -2.460 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 662 14.762 -1.162 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 662 15.360 -0.285 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 662 15.618 0.385 0.040 1.00 0.00 H new ATOM 785 N PRO A 663 20.151 -0.640 3.408 1.00 0.00 N ATOM 786 CA PRO A 663 21.524 -0.487 3.858 1.00 0.00 C ATOM 787 C PRO A 663 22.396 -0.187 2.632 1.00 0.00 C ATOM 788 O PRO A 663 21.936 -0.294 1.491 1.00 0.00 O ATOM 789 CB PRO A 663 21.884 -1.829 4.501 1.00 0.00 C ATOM 790 CG PRO A 663 20.985 -2.827 3.783 1.00 0.00 C ATOM 791 CD PRO A 663 19.718 -2.022 3.530 1.00 0.00 C ATOM 0 HA PRO A 663 21.670 0.325 4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 663 22.938 -2.069 4.363 1.00 0.00 H new ATOM 0 HB3 PRO A 663 21.696 -1.822 5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 663 21.433 -3.178 2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 663 20.789 -3.707 4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 663 19.215 -2.357 2.623 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.009 -2.140 4.349 1.00 0.00 H new ATOM 799 N GLU A 664 23.638 0.244 2.828 1.00 0.00 N ATOM 800 CA GLU A 664 24.522 0.517 1.705 1.00 0.00 C ATOM 801 C GLU A 664 25.111 -0.807 1.237 1.00 0.00 C ATOM 802 O GLU A 664 25.686 -1.559 2.030 1.00 0.00 O ATOM 803 CB GLU A 664 25.584 1.564 2.042 1.00 0.00 C ATOM 804 CG GLU A 664 26.596 1.144 3.116 1.00 0.00 C ATOM 805 CD GLU A 664 27.067 2.377 3.891 1.00 0.00 C ATOM 806 OE1 GLU A 664 26.215 3.002 4.574 1.00 0.00 O ATOM 807 OE2 GLU A 664 28.242 2.784 3.783 1.00 0.00 O ATOM 0 H GLU A 664 24.051 0.410 3.746 1.00 0.00 H new ATOM 0 HA GLU A 664 23.956 0.962 0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.128 1.814 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 664 25.083 2.473 2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.140 0.426 3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 664 27.448 0.647 2.652 1.00 0.00 H new ATOM 814 N CYS A 665 24.854 -1.150 -0.021 1.00 0.00 N ATOM 815 CA CYS A 665 25.387 -2.379 -0.592 1.00 0.00 C ATOM 816 C CYS A 665 26.883 -2.141 -0.829 1.00 0.00 C ATOM 817 O CYS A 665 27.261 -1.001 -1.122 1.00 0.00 O ATOM 818 CB CYS A 665 24.679 -2.726 -1.905 1.00 0.00 C ATOM 819 SG CYS A 665 24.573 -1.363 -3.095 1.00 0.00 S ATOM 0 H CYS A 665 24.283 -0.597 -0.660 1.00 0.00 H new ATOM 0 HA CYS A 665 25.227 -3.220 0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 665 25.202 -3.559 -2.374 1.00 0.00 H new ATOM 0 HB3 CYS A 665 23.670 -3.070 -1.677 1.00 0.00 H new ATOM 824 N PRO A 666 27.740 -3.168 -0.725 1.00 0.00 N ATOM 825 CA PRO A 666 29.168 -3.004 -0.949 1.00 0.00 C ATOM 826 C PRO A 666 29.401 -2.744 -2.440 1.00 0.00 C ATOM 827 O PRO A 666 29.177 -3.675 -3.250 1.00 0.00 O ATOM 828 CB PRO A 666 29.812 -4.307 -0.460 1.00 0.00 C ATOM 829 CG PRO A 666 28.698 -5.348 -0.602 1.00 0.00 C ATOM 830 CD PRO A 666 27.417 -4.545 -0.378 1.00 0.00 C ATOM 0 HA PRO A 666 29.604 -2.160 -0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 666 30.683 -4.571 -1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 666 30.149 -4.222 0.573 1.00 0.00 H new ATOM 0 HG2 PRO A 666 28.710 -5.815 -1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 666 28.802 -6.148 0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 666 26.606 -4.924 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 666 27.086 -4.619 0.658 1.00 0.00 H new TER 838 PRO A 666