USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 391 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 618 SER OG : rot -122:sc= 1.25 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= 0.268 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0.00675 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 MET CE :methyl 170:sc= -0.0203 (180deg=-0.123) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 640 MET CE :methyl -138:sc= -0.0213 (180deg=-0.686) USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 643 SER OG : rot 27:sc= 0.571 USER MOD Single : A 651 ASN : amide:sc=-0.00142 X(o=-0.0014,f=-0.039) USER MOD Single : A 656 GLN : amide:sc= 0.374 X(o=0.37,f=0) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl 138:sc= -0.062 (180deg=-0.376) USER MOD ----------------------------------------------------------------- ATOM 38 N PRO A 614 -19.943 1.052 5.786 1.00 0.00 N ATOM 39 CA PRO A 614 -20.112 1.678 4.488 1.00 0.00 C ATOM 40 C PRO A 614 -19.047 1.290 3.457 1.00 0.00 C ATOM 41 O PRO A 614 -19.269 0.376 2.662 1.00 0.00 O ATOM 42 CB PRO A 614 -20.211 3.185 4.766 1.00 0.00 C ATOM 43 CG PRO A 614 -19.372 3.345 6.026 1.00 0.00 C ATOM 44 CD PRO A 614 -19.696 2.073 6.792 1.00 0.00 C ATOM 0 HA PRO A 614 -21.018 1.318 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -19.818 3.777 3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -21.242 3.502 4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -18.309 3.424 5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -19.646 4.239 6.587 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -18.869 1.788 7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -20.569 2.213 7.429 1.00 0.00 H new ATOM 52 N CYS A 615 -17.904 1.977 3.481 1.00 0.00 N ATOM 53 CA CYS A 615 -16.751 1.802 2.604 1.00 0.00 C ATOM 54 C CYS A 615 -16.068 0.474 2.930 1.00 0.00 C ATOM 55 O CYS A 615 -15.081 0.399 3.665 1.00 0.00 O ATOM 56 CB CYS A 615 -15.800 2.992 2.760 1.00 0.00 C ATOM 57 SG CYS A 615 -16.619 4.613 2.853 1.00 0.00 S ATOM 0 H CYS A 615 -17.752 2.721 4.162 1.00 0.00 H new ATOM 0 HA CYS A 615 -17.067 1.770 1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -15.205 2.848 3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -15.107 2.998 1.919 1.00 0.00 H new ATOM 62 N LEU A 616 -16.649 -0.608 2.429 1.00 0.00 N ATOM 63 CA LEU A 616 -16.183 -1.962 2.621 1.00 0.00 C ATOM 64 C LEU A 616 -14.902 -2.155 1.814 1.00 0.00 C ATOM 65 O LEU A 616 -14.939 -2.318 0.593 1.00 0.00 O ATOM 66 CB LEU A 616 -17.335 -2.900 2.317 1.00 0.00 C ATOM 67 CG LEU A 616 -16.995 -4.379 2.496 1.00 0.00 C ATOM 68 CD1 LEU A 616 -16.170 -4.739 3.734 1.00 0.00 C ATOM 69 CD2 LEU A 616 -18.348 -5.061 2.597 1.00 0.00 C ATOM 0 H LEU A 616 -17.491 -0.557 1.856 1.00 0.00 H new ATOM 0 HA LEU A 616 -15.894 -2.191 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.175 -2.650 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.664 -2.735 1.291 1.00 0.00 H new ATOM 0 HG LEU A 616 -16.364 -4.690 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -15.992 -5.814 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -15.215 -4.214 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -16.714 -4.446 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -18.206 -6.134 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -18.895 -4.660 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -18.916 -4.879 1.685 1.00 0.00 H new ATOM 81 N LEU A 617 -13.761 -2.148 2.501 1.00 0.00 N ATOM 82 CA LEU A 617 -12.421 -2.287 1.934 1.00 0.00 C ATOM 83 C LEU A 617 -11.767 -3.585 2.383 1.00 0.00 C ATOM 84 O LEU A 617 -12.119 -4.131 3.433 1.00 0.00 O ATOM 85 CB LEU A 617 -11.580 -1.094 2.422 1.00 0.00 C ATOM 86 CG LEU A 617 -11.987 0.206 1.705 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.735 1.440 2.569 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.210 0.324 0.397 1.00 0.00 C ATOM 0 H LEU A 617 -13.745 -2.040 3.515 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.486 -2.305 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -11.706 -0.973 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.523 -1.294 2.245 1.00 0.00 H new ATOM 0 HG LEU A 617 -13.058 0.159 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -12.037 2.334 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -12.314 1.364 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.674 1.504 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -11.495 1.244 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.141 0.344 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -11.438 -0.531 -0.240 1.00 0.00 H new ATOM 100 N SER A 618 -10.821 -4.095 1.592 1.00 0.00 N ATOM 101 CA SER A 618 -10.094 -5.316 1.923 1.00 0.00 C ATOM 102 C SER A 618 -8.917 -4.943 2.841 1.00 0.00 C ATOM 103 O SER A 618 -8.576 -3.753 2.937 1.00 0.00 O ATOM 104 CB SER A 618 -9.590 -5.965 0.623 1.00 0.00 C ATOM 105 OG SER A 618 -8.566 -5.201 0.031 1.00 0.00 O ATOM 0 H SER A 618 -10.540 -3.673 0.707 1.00 0.00 H new ATOM 0 HA SER A 618 -10.738 -6.028 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 618 -9.221 -6.969 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 618 -10.418 -6.071 -0.078 1.00 0.00 H new ATOM 0 HG SER A 618 -8.827 -4.956 -0.881 1.00 0.00 H new ATOM 111 N PRO A 619 -8.302 -5.888 3.568 1.00 0.00 N ATOM 112 CA PRO A 619 -7.162 -5.547 4.398 1.00 0.00 C ATOM 113 C PRO A 619 -5.976 -5.305 3.448 1.00 0.00 C ATOM 114 O PRO A 619 -5.914 -5.901 2.366 1.00 0.00 O ATOM 115 CB PRO A 619 -6.942 -6.760 5.300 1.00 0.00 C ATOM 116 CG PRO A 619 -7.418 -7.919 4.426 1.00 0.00 C ATOM 117 CD PRO A 619 -8.560 -7.318 3.607 1.00 0.00 C ATOM 0 HA PRO A 619 -7.294 -4.655 5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.895 -6.870 5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.516 -6.687 6.224 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.619 -8.290 3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.759 -8.760 5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.586 -7.739 2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.526 -7.530 4.066 1.00 0.00 H new ATOM 125 N TRP A 620 -5.051 -4.419 3.813 1.00 0.00 N ATOM 126 CA TRP A 620 -3.893 -4.159 2.971 1.00 0.00 C ATOM 127 C TRP A 620 -3.054 -5.427 2.894 1.00 0.00 C ATOM 128 O TRP A 620 -2.988 -6.198 3.863 1.00 0.00 O ATOM 129 CB TRP A 620 -3.003 -3.059 3.546 1.00 0.00 C ATOM 130 CG TRP A 620 -3.554 -1.679 3.600 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.095 -1.073 4.678 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.518 -0.676 2.550 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.414 0.231 4.359 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.100 0.521 3.053 1.00 0.00 C ATOM 135 CE3 TRP A 620 -3.018 -0.653 1.235 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.221 1.677 2.273 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.117 0.506 0.453 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.733 1.663 0.960 1.00 0.00 C ATOM 0 H TRP A 620 -5.082 -3.877 4.676 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.258 -3.844 1.994 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.725 -3.349 4.559 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -2.085 -3.030 2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -4.254 -1.537 5.640 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -4.831 0.896 5.011 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.553 -1.537 0.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.683 2.566 2.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.716 0.510 -0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -3.830 2.540 0.338 1.00 0.00 H new ATOM 149 N SER A 621 -2.465 -5.670 1.729 1.00 0.00 N ATOM 150 CA SER A 621 -1.607 -6.814 1.538 1.00 0.00 C ATOM 151 C SER A 621 -0.271 -6.510 2.221 1.00 0.00 C ATOM 152 O SER A 621 -0.071 -5.447 2.817 1.00 0.00 O ATOM 153 CB SER A 621 -1.428 -7.119 0.048 1.00 0.00 C ATOM 154 OG SER A 621 -1.272 -8.516 -0.120 1.00 0.00 O ATOM 0 H SER A 621 -2.572 -5.081 0.903 1.00 0.00 H new ATOM 0 HA SER A 621 -2.051 -7.705 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 621 -2.292 -6.766 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.557 -6.593 -0.342 1.00 0.00 H new ATOM 0 HG SER A 621 -1.158 -8.720 -1.072 1.00 0.00 H new ATOM 160 N GLU A 622 0.616 -7.489 2.215 1.00 0.00 N ATOM 161 CA GLU A 622 1.932 -7.352 2.803 1.00 0.00 C ATOM 162 C GLU A 622 2.739 -6.351 1.972 1.00 0.00 C ATOM 163 O GLU A 622 2.666 -6.352 0.738 1.00 0.00 O ATOM 164 CB GLU A 622 2.607 -8.734 2.823 1.00 0.00 C ATOM 165 CG GLU A 622 2.872 -9.291 1.411 1.00 0.00 C ATOM 166 CD GLU A 622 2.989 -10.807 1.404 1.00 0.00 C ATOM 167 OE1 GLU A 622 1.945 -11.486 1.549 1.00 0.00 O ATOM 168 OE2 GLU A 622 4.111 -11.330 1.207 1.00 0.00 O ATOM 0 H GLU A 622 0.441 -8.404 1.800 1.00 0.00 H new ATOM 0 HA GLU A 622 1.870 -6.981 3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 622 3.551 -8.664 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 622 1.976 -9.433 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 622 2.064 -8.988 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 622 3.790 -8.856 1.017 1.00 0.00 H new ATOM 175 N TRP A 623 3.479 -5.463 2.630 1.00 0.00 N ATOM 176 CA TRP A 623 4.320 -4.512 1.936 1.00 0.00 C ATOM 177 C TRP A 623 5.376 -5.297 1.176 1.00 0.00 C ATOM 178 O TRP A 623 5.868 -6.317 1.667 1.00 0.00 O ATOM 179 CB TRP A 623 5.122 -3.655 2.915 1.00 0.00 C ATOM 180 CG TRP A 623 4.437 -2.495 3.548 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.943 -2.379 4.798 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.289 -1.197 2.941 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.503 -1.079 4.996 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.650 -0.315 3.857 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.676 -0.695 1.693 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.329 1.007 3.505 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.413 0.632 1.363 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.699 1.465 2.226 1.00 0.00 C ATOM 0 H TRP A 623 3.508 -5.388 3.647 1.00 0.00 H new ATOM 0 HA TRP A 623 3.676 -3.894 1.311 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.482 -4.306 3.712 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.000 -3.279 2.389 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.897 -3.173 5.529 1.00 0.00 H new ATOM 0 HE1 TRP A 623 3.119 -0.731 5.874 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.179 -1.337 0.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.812 1.655 4.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.768 1.024 0.421 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.430 2.463 1.912 1.00 0.00 H new ATOM 199 N SER A 624 5.720 -4.823 -0.008 1.00 0.00 N ATOM 200 CA SER A 624 6.757 -5.442 -0.790 1.00 0.00 C ATOM 201 C SER A 624 8.069 -4.925 -0.189 1.00 0.00 C ATOM 202 O SER A 624 8.089 -3.876 0.465 1.00 0.00 O ATOM 203 CB SER A 624 6.586 -4.998 -2.226 1.00 0.00 C ATOM 204 OG SER A 624 5.357 -5.468 -2.761 1.00 0.00 O ATOM 0 H SER A 624 5.290 -4.007 -0.444 1.00 0.00 H new ATOM 0 HA SER A 624 6.734 -6.532 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 624 6.618 -3.910 -2.280 1.00 0.00 H new ATOM 0 HB3 SER A 624 7.415 -5.372 -2.827 1.00 0.00 H new ATOM 0 HG SER A 624 5.268 -5.167 -3.689 1.00 0.00 H new ATOM 210 N ASP A 625 9.163 -5.625 -0.456 1.00 0.00 N ATOM 211 CA ASP A 625 10.514 -5.345 0.027 1.00 0.00 C ATOM 212 C ASP A 625 10.888 -3.866 -0.099 1.00 0.00 C ATOM 213 O ASP A 625 10.933 -3.170 0.913 1.00 0.00 O ATOM 214 CB ASP A 625 11.519 -6.277 -0.672 1.00 0.00 C ATOM 215 CG ASP A 625 11.412 -7.709 -0.145 1.00 0.00 C ATOM 216 OD1 ASP A 625 10.391 -8.378 -0.441 1.00 0.00 O ATOM 217 OD2 ASP A 625 12.341 -8.138 0.576 1.00 0.00 O ATOM 0 H ASP A 625 9.132 -6.453 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 625 10.547 -5.553 1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.338 -6.269 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 625 12.532 -5.905 -0.516 1.00 0.00 H new ATOM 222 N CYS A 626 11.153 -3.396 -1.320 1.00 0.00 N ATOM 223 CA CYS A 626 11.532 -2.041 -1.723 1.00 0.00 C ATOM 224 C CYS A 626 11.521 -2.032 -3.261 1.00 0.00 C ATOM 225 O CYS A 626 10.960 -2.928 -3.893 1.00 0.00 O ATOM 226 CB CYS A 626 12.931 -1.687 -1.175 1.00 0.00 C ATOM 227 SG CYS A 626 13.020 -1.009 0.501 1.00 0.00 S ATOM 0 H CYS A 626 11.102 -4.015 -2.129 1.00 0.00 H new ATOM 0 HA CYS A 626 10.842 -1.297 -1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.544 -2.588 -1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 626 13.387 -0.967 -1.855 1.00 0.00 H new ATOM 232 N SER A 627 12.084 -0.993 -3.876 1.00 0.00 N ATOM 233 CA SER A 627 12.202 -0.835 -5.323 1.00 0.00 C ATOM 234 C SER A 627 13.640 -0.417 -5.691 1.00 0.00 C ATOM 235 O SER A 627 13.866 0.187 -6.745 1.00 0.00 O ATOM 236 CB SER A 627 11.120 0.122 -5.843 1.00 0.00 C ATOM 237 OG SER A 627 11.044 0.042 -7.254 1.00 0.00 O ATOM 0 H SER A 627 12.485 -0.210 -3.360 1.00 0.00 H new ATOM 0 HA SER A 627 12.024 -1.787 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 627 10.156 -0.132 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 627 11.349 1.144 -5.540 1.00 0.00 H new ATOM 0 HG SER A 627 11.946 0.093 -7.634 1.00 0.00 H new ATOM 243 N VAL A 628 14.619 -0.683 -4.823 1.00 0.00 N ATOM 244 CA VAL A 628 16.027 -0.369 -5.008 1.00 0.00 C ATOM 245 C VAL A 628 16.847 -1.527 -4.442 1.00 0.00 C ATOM 246 O VAL A 628 16.339 -2.337 -3.658 1.00 0.00 O ATOM 247 CB VAL A 628 16.340 0.993 -4.346 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.357 0.931 -2.809 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.649 1.588 -4.870 1.00 0.00 C ATOM 0 H VAL A 628 14.437 -1.145 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 628 16.287 -0.263 -6.061 1.00 0.00 H new ATOM 0 HB VAL A 628 15.519 1.651 -4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 628 16.582 1.919 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.381 0.606 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.119 0.224 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 628 17.835 2.545 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.471 0.905 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.575 1.739 -5.947 1.00 0.00 H new ATOM 259 N THR A 629 18.117 -1.611 -4.820 1.00 0.00 N ATOM 260 CA THR A 629 19.004 -2.655 -4.342 1.00 0.00 C ATOM 261 C THR A 629 19.935 -2.138 -3.252 1.00 0.00 C ATOM 262 O THR A 629 20.354 -2.928 -2.406 1.00 0.00 O ATOM 263 CB THR A 629 19.771 -3.261 -5.521 1.00 0.00 C ATOM 264 OG1 THR A 629 20.260 -2.247 -6.388 1.00 0.00 O ATOM 265 CG2 THR A 629 18.859 -4.183 -6.327 1.00 0.00 C ATOM 0 H THR A 629 18.557 -0.956 -5.466 1.00 0.00 H new ATOM 0 HA THR A 629 18.408 -3.445 -3.885 1.00 0.00 H new ATOM 0 HB THR A 629 20.610 -3.823 -5.111 1.00 0.00 H new ATOM 0 HG1 THR A 629 20.747 -2.659 -7.132 1.00 0.00 H new ATOM 0 HG21 THR A 629 19.417 -4.607 -7.162 1.00 0.00 H new ATOM 0 HG22 THR A 629 18.497 -4.987 -5.687 1.00 0.00 H new ATOM 0 HG23 THR A 629 18.011 -3.614 -6.709 1.00 0.00 H new ATOM 273 N CYS A 630 20.246 -0.841 -3.247 1.00 0.00 N ATOM 274 CA CYS A 630 21.113 -0.247 -2.249 1.00 0.00 C ATOM 275 C CYS A 630 20.811 1.233 -2.116 1.00 0.00 C ATOM 276 O CYS A 630 20.386 1.881 -3.075 1.00 0.00 O ATOM 277 CB CYS A 630 22.590 -0.422 -2.611 1.00 0.00 C ATOM 278 SG CYS A 630 23.074 0.070 -4.280 1.00 0.00 S ATOM 0 H CYS A 630 19.899 -0.178 -3.940 1.00 0.00 H new ATOM 0 HA CYS A 630 20.924 -0.757 -1.304 1.00 0.00 H new ATOM 0 HB2 CYS A 630 23.186 0.151 -1.900 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.853 -1.471 -2.475 1.00 0.00 H new ATOM 283 N GLY A 631 21.124 1.775 -0.947 1.00 0.00 N ATOM 284 CA GLY A 631 20.931 3.166 -0.632 1.00 0.00 C ATOM 285 C GLY A 631 19.456 3.561 -0.567 1.00 0.00 C ATOM 286 O GLY A 631 18.558 2.751 -0.316 1.00 0.00 O ATOM 0 H GLY A 631 21.528 1.239 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.403 3.386 0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.433 3.777 -1.383 1.00 0.00 H new ATOM 290 N LYS A 632 19.209 4.856 -0.778 1.00 0.00 N ATOM 291 CA LYS A 632 17.895 5.491 -0.755 1.00 0.00 C ATOM 292 C LYS A 632 16.846 4.738 -1.572 1.00 0.00 C ATOM 293 O LYS A 632 17.141 4.248 -2.660 1.00 0.00 O ATOM 294 CB LYS A 632 18.019 6.940 -1.240 1.00 0.00 C ATOM 295 CG LYS A 632 18.567 7.090 -2.679 1.00 0.00 C ATOM 296 CD LYS A 632 18.188 8.433 -3.299 1.00 0.00 C ATOM 297 CE LYS A 632 16.686 8.556 -3.601 1.00 0.00 C ATOM 298 NZ LYS A 632 16.258 7.814 -4.802 1.00 0.00 N ATOM 0 H LYS A 632 19.957 5.519 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 632 17.544 5.470 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 632 17.038 7.413 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 632 18.672 7.484 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 632 19.652 6.990 -2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 632 18.180 6.282 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 632 18.483 9.235 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 632 18.751 8.572 -4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 632 16.121 8.195 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 632 16.435 9.609 -3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 15.236 7.942 -4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 16.770 8.173 -5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 16.466 6.803 -4.678 1.00 0.00 H new ATOM 312 N GLY A 633 15.594 4.755 -1.120 1.00 0.00 N ATOM 313 CA GLY A 633 14.498 4.079 -1.790 1.00 0.00 C ATOM 314 C GLY A 633 13.147 4.427 -1.166 1.00 0.00 C ATOM 315 O GLY A 633 13.014 5.364 -0.374 1.00 0.00 O ATOM 0 H GLY A 633 15.315 5.245 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.492 4.354 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.653 3.001 -1.742 1.00 0.00 H new ATOM 319 N MET A 634 12.117 3.702 -1.581 1.00 0.00 N ATOM 320 CA MET A 634 10.725 3.781 -1.154 1.00 0.00 C ATOM 321 C MET A 634 10.031 2.490 -1.583 1.00 0.00 C ATOM 322 O MET A 634 10.421 1.872 -2.585 1.00 0.00 O ATOM 323 CB MET A 634 9.963 4.934 -1.836 1.00 0.00 C ATOM 324 CG MET A 634 10.363 6.344 -1.387 1.00 0.00 C ATOM 325 SD MET A 634 9.100 7.613 -1.676 1.00 0.00 S ATOM 326 CE MET A 634 7.864 7.183 -0.417 1.00 0.00 C ATOM 0 H MET A 634 12.245 2.979 -2.289 1.00 0.00 H new ATOM 0 HA MET A 634 10.719 3.942 -0.076 1.00 0.00 H new ATOM 0 HB2 MET A 634 10.112 4.858 -2.913 1.00 0.00 H new ATOM 0 HB3 MET A 634 8.897 4.801 -1.652 1.00 0.00 H new ATOM 0 HG2 MET A 634 10.598 6.320 -0.323 1.00 0.00 H new ATOM 0 HG3 MET A 634 11.276 6.632 -1.909 1.00 0.00 H new ATOM 0 HE1 MET A 634 7.118 7.975 -0.354 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.377 6.247 -0.690 1.00 0.00 H new ATOM 0 HE3 MET A 634 8.354 7.069 0.550 1.00 0.00 H new ATOM 336 N ARG A 635 8.996 2.086 -0.857 1.00 0.00 N ATOM 337 CA ARG A 635 8.186 0.914 -1.146 1.00 0.00 C ATOM 338 C ARG A 635 6.754 1.408 -1.271 1.00 0.00 C ATOM 339 O ARG A 635 6.412 2.477 -0.749 1.00 0.00 O ATOM 340 CB ARG A 635 8.327 -0.160 -0.056 1.00 0.00 C ATOM 341 CG ARG A 635 8.164 0.361 1.377 1.00 0.00 C ATOM 342 CD ARG A 635 8.146 -0.803 2.367 1.00 0.00 C ATOM 343 NE ARG A 635 8.016 -0.297 3.739 1.00 0.00 N ATOM 344 CZ ARG A 635 8.414 -0.915 4.860 1.00 0.00 C ATOM 345 NH1 ARG A 635 8.975 -2.118 4.846 1.00 0.00 N ATOM 346 NH2 ARG A 635 8.306 -0.295 6.023 1.00 0.00 N ATOM 0 H ARG A 635 8.689 2.584 -0.022 1.00 0.00 H new ATOM 0 HA ARG A 635 8.513 0.432 -2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.584 -0.938 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.307 -0.628 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 635 8.981 1.040 1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.239 0.932 1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.317 -1.472 2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 635 9.062 -1.386 2.271 1.00 0.00 H new ATOM 0 HE ARG A 635 7.578 0.618 3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 635 9.116 -2.605 3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 635 9.265 -2.556 5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 635 7.921 0.649 6.064 1.00 0.00 H new ATOM 0 HH22 ARG A 635 8.607 -0.761 6.879 1.00 0.00 H new ATOM 360 N THR A 636 5.915 0.623 -1.926 1.00 0.00 N ATOM 361 CA THR A 636 4.509 0.927 -2.134 1.00 0.00 C ATOM 362 C THR A 636 3.716 -0.376 -2.015 1.00 0.00 C ATOM 363 O THR A 636 4.284 -1.456 -2.217 1.00 0.00 O ATOM 364 CB THR A 636 4.319 1.623 -3.486 1.00 0.00 C ATOM 365 OG1 THR A 636 4.975 0.934 -4.538 1.00 0.00 O ATOM 366 CG2 THR A 636 4.862 3.055 -3.495 1.00 0.00 C ATOM 0 H THR A 636 6.200 -0.265 -2.338 1.00 0.00 H new ATOM 0 HA THR A 636 4.138 1.620 -1.379 1.00 0.00 H new ATOM 0 HB THR A 636 3.240 1.629 -3.640 1.00 0.00 H new ATOM 0 HG1 THR A 636 4.828 1.409 -5.382 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.701 3.499 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.343 3.646 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 636 5.929 3.041 -3.274 1.00 0.00 H new ATOM 374 N ARG A 637 2.448 -0.298 -1.607 1.00 0.00 N ATOM 375 CA ARG A 637 1.569 -1.454 -1.482 1.00 0.00 C ATOM 376 C ARG A 637 0.173 -1.009 -1.891 1.00 0.00 C ATOM 377 O ARG A 637 -0.210 0.131 -1.600 1.00 0.00 O ATOM 378 CB ARG A 637 1.643 -2.118 -0.089 1.00 0.00 C ATOM 379 CG ARG A 637 1.104 -1.356 1.131 1.00 0.00 C ATOM 380 CD ARG A 637 0.846 -2.329 2.296 1.00 0.00 C ATOM 381 NE ARG A 637 0.678 -1.632 3.582 1.00 0.00 N ATOM 382 CZ ARG A 637 0.245 -2.205 4.711 1.00 0.00 C ATOM 383 NH1 ARG A 637 -0.033 -3.501 4.762 1.00 0.00 N ATOM 384 NH2 ARG A 637 0.065 -1.484 5.811 1.00 0.00 N ATOM 0 H ARG A 637 2.001 0.582 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 637 1.894 -2.253 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.107 -3.065 -0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.689 -2.355 0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.819 -0.593 1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.181 -0.840 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.048 -2.916 2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.677 -3.030 2.371 1.00 0.00 H new ATOM 0 HE ARG A 637 0.909 -0.639 3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.082 -4.080 3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.362 -3.918 5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 637 0.257 -0.482 5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.265 -1.932 6.666 1.00 0.00 H new ATOM 398 N GLN A 638 -0.594 -1.891 -2.536 1.00 0.00 N ATOM 399 CA GLN A 638 -1.944 -1.575 -2.987 1.00 0.00 C ATOM 400 C GLN A 638 -2.921 -2.715 -2.709 1.00 0.00 C ATOM 401 O GLN A 638 -2.513 -3.839 -2.416 1.00 0.00 O ATOM 402 CB GLN A 638 -1.925 -1.150 -4.462 1.00 0.00 C ATOM 403 CG GLN A 638 -1.690 -2.318 -5.431 1.00 0.00 C ATOM 404 CD GLN A 638 -1.564 -1.841 -6.872 1.00 0.00 C ATOM 405 OE1 GLN A 638 -0.487 -1.898 -7.457 1.00 0.00 O ATOM 406 NE2 GLN A 638 -2.644 -1.398 -7.485 1.00 0.00 N ATOM 0 H GLN A 638 -0.295 -2.840 -2.758 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.312 -0.728 -2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.873 -0.670 -4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.143 -0.404 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -0.784 -2.851 -5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -2.515 -3.026 -5.353 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -3.533 -1.356 -6.986 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -2.591 -1.097 -8.458 1.00 0.00 H new ATOM 415 N ARG A 639 -4.217 -2.430 -2.786 1.00 0.00 N ATOM 416 CA ARG A 639 -5.302 -3.370 -2.538 1.00 0.00 C ATOM 417 C ARG A 639 -6.542 -2.966 -3.333 1.00 0.00 C ATOM 418 O ARG A 639 -6.627 -1.849 -3.842 1.00 0.00 O ATOM 419 CB ARG A 639 -5.626 -3.352 -1.029 1.00 0.00 C ATOM 420 CG ARG A 639 -6.080 -1.966 -0.527 1.00 0.00 C ATOM 421 CD ARG A 639 -6.629 -2.011 0.898 1.00 0.00 C ATOM 422 NE ARG A 639 -6.998 -0.662 1.354 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.302 -0.309 2.604 1.00 0.00 C ATOM 424 NH1 ARG A 639 -7.443 -1.227 3.555 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.459 0.975 2.880 1.00 0.00 N ATOM 0 H ARG A 639 -4.553 -1.499 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 639 -5.001 -4.370 -2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.409 -4.082 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.744 -3.664 -0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.238 -1.275 -0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.846 -1.574 -1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.500 -2.665 0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -5.881 -2.435 1.568 1.00 0.00 H new ATOM 0 HE ARG A 639 -7.024 0.073 0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -7.319 -2.215 3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -7.676 -0.944 4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.347 1.672 2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -7.692 1.268 3.829 1.00 0.00 H new ATOM 439 N MET A 640 -7.534 -3.851 -3.386 1.00 0.00 N ATOM 440 CA MET A 640 -8.812 -3.631 -4.061 1.00 0.00 C ATOM 441 C MET A 640 -9.876 -3.438 -2.988 1.00 0.00 C ATOM 442 O MET A 640 -9.691 -3.844 -1.834 1.00 0.00 O ATOM 443 CB MET A 640 -9.183 -4.865 -4.902 1.00 0.00 C ATOM 444 CG MET A 640 -8.347 -5.033 -6.170 1.00 0.00 C ATOM 445 SD MET A 640 -8.704 -3.811 -7.458 1.00 0.00 S ATOM 446 CE MET A 640 -7.359 -2.623 -7.201 1.00 0.00 C ATOM 0 H MET A 640 -7.470 -4.770 -2.947 1.00 0.00 H new ATOM 0 HA MET A 640 -8.743 -2.761 -4.714 1.00 0.00 H new ATOM 0 HB2 MET A 640 -9.072 -5.757 -4.286 1.00 0.00 H new ATOM 0 HB3 MET A 640 -10.235 -4.799 -5.180 1.00 0.00 H new ATOM 0 HG2 MET A 640 -7.291 -4.970 -5.907 1.00 0.00 H new ATOM 0 HG3 MET A 640 -8.516 -6.031 -6.574 1.00 0.00 H new ATOM 0 HE1 MET A 640 -7.749 -1.608 -7.283 1.00 0.00 H new ATOM 0 HE2 MET A 640 -6.930 -2.768 -6.209 1.00 0.00 H new ATOM 0 HE3 MET A 640 -6.588 -2.777 -7.956 1.00 0.00 H new ATOM 456 N LEU A 641 -10.996 -2.802 -3.328 1.00 0.00 N ATOM 457 CA LEU A 641 -12.073 -2.626 -2.361 1.00 0.00 C ATOM 458 C LEU A 641 -12.747 -3.989 -2.138 1.00 0.00 C ATOM 459 O LEU A 641 -12.458 -4.961 -2.836 1.00 0.00 O ATOM 460 CB LEU A 641 -13.026 -1.497 -2.792 1.00 0.00 C ATOM 461 CG LEU A 641 -14.208 -1.896 -3.698 1.00 0.00 C ATOM 462 CD1 LEU A 641 -15.102 -0.677 -3.927 1.00 0.00 C ATOM 463 CD2 LEU A 641 -13.749 -2.474 -5.038 1.00 0.00 C ATOM 0 H LEU A 641 -11.178 -2.407 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 641 -11.687 -2.295 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -13.429 -1.030 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.441 -0.738 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.767 -2.682 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -15.939 -0.955 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -15.481 -0.319 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -14.524 0.113 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -14.620 -2.739 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -13.154 -1.731 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -13.145 -3.364 -4.863 1.00 0.00 H new ATOM 475 N LYS A 642 -13.626 -4.101 -1.145 1.00 0.00 N ATOM 476 CA LYS A 642 -14.344 -5.343 -0.834 1.00 0.00 C ATOM 477 C LYS A 642 -15.858 -5.128 -0.945 1.00 0.00 C ATOM 478 O LYS A 642 -16.639 -6.026 -0.642 1.00 0.00 O ATOM 479 CB LYS A 642 -13.883 -5.853 0.546 1.00 0.00 C ATOM 480 CG LYS A 642 -14.274 -7.303 0.898 1.00 0.00 C ATOM 481 CD LYS A 642 -13.633 -8.376 0.000 1.00 0.00 C ATOM 482 CE LYS A 642 -12.121 -8.396 0.237 1.00 0.00 C ATOM 483 NZ LYS A 642 -11.423 -9.451 -0.512 1.00 0.00 N ATOM 0 H LYS A 642 -13.865 -3.327 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 642 -14.107 -6.121 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.798 -5.768 0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.292 -5.192 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -13.994 -7.500 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -15.358 -7.398 0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -14.060 -9.354 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -13.846 -8.164 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -11.705 -7.428 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -11.930 -8.530 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -10.405 -9.408 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -11.794 -10.381 -0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -11.576 -9.312 -1.531 1.00 0.00 H new ATOM 497 N SER A 643 -16.301 -3.932 -1.314 1.00 0.00 N ATOM 498 CA SER A 643 -17.703 -3.605 -1.453 1.00 0.00 C ATOM 499 C SER A 643 -18.250 -4.384 -2.645 1.00 0.00 C ATOM 500 O SER A 643 -17.882 -4.083 -3.779 1.00 0.00 O ATOM 501 CB SER A 643 -17.848 -2.098 -1.659 1.00 0.00 C ATOM 502 OG SER A 643 -17.255 -1.347 -0.621 1.00 0.00 O ATOM 0 H SER A 643 -15.679 -3.152 -1.527 1.00 0.00 H new ATOM 0 HA SER A 643 -18.265 -3.877 -0.560 1.00 0.00 H new ATOM 0 HB2 SER A 643 -17.392 -1.820 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 643 -18.906 -1.845 -1.727 1.00 0.00 H new ATOM 0 HG SER A 643 -16.524 -1.863 -0.220 1.00 0.00 H new ATOM 508 N LEU A 644 -19.114 -5.376 -2.417 1.00 0.00 N ATOM 509 CA LEU A 644 -19.690 -6.174 -3.492 1.00 0.00 C ATOM 510 C LEU A 644 -20.540 -5.328 -4.445 1.00 0.00 C ATOM 511 O LEU A 644 -20.735 -5.727 -5.587 1.00 0.00 O ATOM 512 CB LEU A 644 -20.484 -7.358 -2.922 1.00 0.00 C ATOM 513 CG LEU A 644 -21.868 -7.011 -2.340 1.00 0.00 C ATOM 514 CD1 LEU A 644 -22.584 -8.306 -1.982 1.00 0.00 C ATOM 515 CD2 LEU A 644 -21.846 -6.137 -1.080 1.00 0.00 C ATOM 0 H LEU A 644 -19.430 -5.645 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 644 -18.867 -6.574 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -20.616 -8.098 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -19.888 -7.829 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 644 -22.373 -6.434 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -23.566 -8.076 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -22.701 -8.917 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -21.998 -8.853 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -22.868 -5.949 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -21.298 -6.651 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -21.357 -5.189 -1.303 1.00 0.00 H new ATOM 527 N ALA A 645 -21.067 -4.188 -3.984 1.00 0.00 N ATOM 528 CA ALA A 645 -21.865 -3.295 -4.816 1.00 0.00 C ATOM 529 C ALA A 645 -20.955 -2.332 -5.592 1.00 0.00 C ATOM 530 O ALA A 645 -21.461 -1.516 -6.357 1.00 0.00 O ATOM 531 CB ALA A 645 -22.835 -2.502 -3.937 1.00 0.00 C ATOM 0 H ALA A 645 -20.950 -3.863 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 645 -22.431 -3.891 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -23.430 -1.836 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -23.495 -3.191 -3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -22.272 -1.914 -3.213 1.00 0.00 H new ATOM 537 N GLU A 646 -19.638 -2.387 -5.357 1.00 0.00 N ATOM 538 CA GLU A 646 -18.610 -1.562 -5.975 1.00 0.00 C ATOM 539 C GLU A 646 -18.990 -0.082 -5.935 1.00 0.00 C ATOM 540 O GLU A 646 -18.955 0.640 -6.926 1.00 0.00 O ATOM 541 CB GLU A 646 -18.305 -2.107 -7.361 1.00 0.00 C ATOM 542 CG GLU A 646 -16.897 -1.715 -7.817 1.00 0.00 C ATOM 543 CD GLU A 646 -16.643 -2.085 -9.274 1.00 0.00 C ATOM 544 OE1 GLU A 646 -16.882 -3.255 -9.674 1.00 0.00 O ATOM 545 OE2 GLU A 646 -16.191 -1.196 -10.030 1.00 0.00 O ATOM 0 H GLU A 646 -19.245 -3.051 -4.689 1.00 0.00 H new ATOM 0 HA GLU A 646 -17.681 -1.615 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -18.398 -3.193 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -19.039 -1.728 -8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -16.760 -0.642 -7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -16.160 -2.210 -7.184 1.00 0.00 H new ATOM 552 N LEU A 647 -19.322 0.355 -4.725 1.00 0.00 N ATOM 553 CA LEU A 647 -19.760 1.703 -4.376 1.00 0.00 C ATOM 554 C LEU A 647 -18.912 2.869 -4.893 1.00 0.00 C ATOM 555 O LEU A 647 -19.494 3.945 -4.996 1.00 0.00 O ATOM 556 CB LEU A 647 -20.022 1.800 -2.865 1.00 0.00 C ATOM 557 CG LEU A 647 -18.810 1.565 -1.939 1.00 0.00 C ATOM 558 CD1 LEU A 647 -17.934 2.806 -1.735 1.00 0.00 C ATOM 559 CD2 LEU A 647 -19.347 1.085 -0.591 1.00 0.00 C ATOM 0 H LEU A 647 -19.291 -0.260 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 647 -20.689 1.838 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -20.427 2.789 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -20.795 1.076 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 647 -18.165 0.825 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -17.104 2.560 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -17.545 3.139 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -18.530 3.603 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -18.515 0.909 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -20.005 1.845 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -19.904 0.159 -0.730 1.00 0.00 H new ATOM 571 N GLY A 648 -17.617 2.674 -5.197 1.00 0.00 N ATOM 572 CA GLY A 648 -16.629 3.636 -5.710 1.00 0.00 C ATOM 573 C GLY A 648 -17.092 5.079 -5.557 1.00 0.00 C ATOM 574 O GLY A 648 -17.525 5.714 -6.521 1.00 0.00 O ATOM 0 H GLY A 648 -17.197 1.752 -5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -15.686 3.502 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -16.436 3.429 -6.763 1.00 0.00 H new ATOM 578 N ASP A 649 -17.036 5.579 -4.328 1.00 0.00 N ATOM 579 CA ASP A 649 -17.478 6.925 -3.969 1.00 0.00 C ATOM 580 C ASP A 649 -16.673 7.460 -2.798 1.00 0.00 C ATOM 581 O ASP A 649 -16.272 8.622 -2.817 1.00 0.00 O ATOM 582 CB ASP A 649 -18.961 6.825 -3.603 1.00 0.00 C ATOM 583 CG ASP A 649 -19.461 7.959 -2.708 1.00 0.00 C ATOM 584 OD1 ASP A 649 -19.595 9.116 -3.175 1.00 0.00 O ATOM 585 OD2 ASP A 649 -19.804 7.654 -1.543 1.00 0.00 O ATOM 0 H ASP A 649 -16.674 5.050 -3.535 1.00 0.00 H new ATOM 0 HA ASP A 649 -17.330 7.614 -4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -19.550 6.813 -4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -19.137 5.875 -3.099 1.00 0.00 H new ATOM 590 N CYS A 650 -16.433 6.626 -1.782 1.00 0.00 N ATOM 591 CA CYS A 650 -15.655 7.043 -0.631 1.00 0.00 C ATOM 592 C CYS A 650 -14.244 7.398 -1.101 1.00 0.00 C ATOM 593 O CYS A 650 -13.702 6.705 -1.965 1.00 0.00 O ATOM 594 CB CYS A 650 -15.542 5.901 0.383 1.00 0.00 C ATOM 595 SG CYS A 650 -17.087 5.145 0.948 1.00 0.00 S ATOM 0 H CYS A 650 -16.768 5.664 -1.741 1.00 0.00 H new ATOM 0 HA CYS A 650 -16.146 7.897 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.923 5.119 -0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -15.009 6.276 1.257 1.00 0.00 H new ATOM 600 N ASN A 651 -13.626 8.423 -0.511 1.00 0.00 N ATOM 601 CA ASN A 651 -12.262 8.824 -0.868 1.00 0.00 C ATOM 602 C ASN A 651 -11.287 7.920 -0.109 1.00 0.00 C ATOM 603 O ASN A 651 -10.448 8.372 0.667 1.00 0.00 O ATOM 604 CB ASN A 651 -12.008 10.310 -0.587 1.00 0.00 C ATOM 605 CG ASN A 651 -10.726 10.743 -1.283 1.00 0.00 C ATOM 606 OD1 ASN A 651 -10.697 10.800 -2.507 1.00 0.00 O ATOM 607 ND2 ASN A 651 -9.663 11.060 -0.567 1.00 0.00 N ATOM 0 H ASN A 651 -14.050 8.994 0.220 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.113 8.702 -1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -12.848 10.907 -0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -11.927 10.480 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -8.805 11.356 -1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -9.700 11.008 0.451 1.00 0.00 H new ATOM 614 N GLU A 652 -11.492 6.617 -0.231 1.00 0.00 N ATOM 615 CA GLU A 652 -10.714 5.575 0.397 1.00 0.00 C ATOM 616 C GLU A 652 -9.320 5.474 -0.214 1.00 0.00 C ATOM 617 O GLU A 652 -9.025 6.093 -1.236 1.00 0.00 O ATOM 618 CB GLU A 652 -11.508 4.269 0.325 1.00 0.00 C ATOM 619 CG GLU A 652 -11.835 3.754 -1.092 1.00 0.00 C ATOM 620 CD GLU A 652 -13.119 2.907 -1.189 1.00 0.00 C ATOM 621 OE1 GLU A 652 -13.869 2.822 -0.187 1.00 0.00 O ATOM 622 OE2 GLU A 652 -13.318 2.301 -2.267 1.00 0.00 O ATOM 0 H GLU A 652 -12.249 6.244 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 652 -10.543 5.811 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -10.947 3.496 0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -12.445 4.406 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -11.928 4.609 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -10.995 3.159 -1.450 1.00 0.00 H new ATOM 629 N ASP A 653 -8.451 4.695 0.428 1.00 0.00 N ATOM 630 CA ASP A 653 -7.079 4.500 -0.011 1.00 0.00 C ATOM 631 C ASP A 653 -6.891 3.059 -0.431 1.00 0.00 C ATOM 632 O ASP A 653 -7.056 2.126 0.364 1.00 0.00 O ATOM 633 CB ASP A 653 -6.079 4.865 1.084 1.00 0.00 C ATOM 634 CG ASP A 653 -6.008 6.369 1.313 1.00 0.00 C ATOM 635 OD1 ASP A 653 -5.214 7.038 0.613 1.00 0.00 O ATOM 636 OD2 ASP A 653 -6.774 6.884 2.166 1.00 0.00 O ATOM 0 H ASP A 653 -8.686 4.178 1.275 1.00 0.00 H new ATOM 0 HA ASP A 653 -6.891 5.161 -0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -6.362 4.370 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -5.091 4.493 0.812 1.00 0.00 H new ATOM 641 N LEU A 654 -6.590 2.900 -1.710 1.00 0.00 N ATOM 642 CA LEU A 654 -6.328 1.638 -2.375 1.00 0.00 C ATOM 643 C LEU A 654 -4.817 1.454 -2.502 1.00 0.00 C ATOM 644 O LEU A 654 -4.380 0.313 -2.559 1.00 0.00 O ATOM 645 CB LEU A 654 -6.985 1.587 -3.763 1.00 0.00 C ATOM 646 CG LEU A 654 -8.526 1.578 -3.777 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.988 1.327 -5.216 1.00 0.00 C ATOM 648 CD2 LEU A 654 -9.153 0.516 -2.862 1.00 0.00 C ATOM 0 H LEU A 654 -6.519 3.694 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.757 0.831 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.640 2.446 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.631 0.695 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.856 2.545 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -10.077 1.316 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.612 2.120 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.604 0.366 -5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -10.239 0.574 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.823 -0.475 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.842 0.693 -1.832 1.00 0.00 H new ATOM 660 N GLU A 655 -4.017 2.524 -2.475 1.00 0.00 N ATOM 661 CA GLU A 655 -2.559 2.492 -2.571 1.00 0.00 C ATOM 662 C GLU A 655 -1.949 3.378 -1.474 1.00 0.00 C ATOM 663 O GLU A 655 -2.555 4.372 -1.053 1.00 0.00 O ATOM 664 CB GLU A 655 -2.126 2.919 -3.985 1.00 0.00 C ATOM 665 CG GLU A 655 -0.606 3.128 -4.082 1.00 0.00 C ATOM 666 CD GLU A 655 -0.082 3.228 -5.513 1.00 0.00 C ATOM 667 OE1 GLU A 655 -0.774 3.805 -6.381 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.079 2.814 -5.735 1.00 0.00 O ATOM 0 H GLU A 655 -4.384 3.471 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 655 -2.190 1.479 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.434 2.160 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.637 3.842 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.340 4.038 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.103 2.302 -3.579 1.00 0.00 H new ATOM 675 N GLN A 656 -0.758 3.005 -0.998 1.00 0.00 N ATOM 676 CA GLN A 656 0.013 3.702 0.022 1.00 0.00 C ATOM 677 C GLN A 656 1.503 3.568 -0.298 1.00 0.00 C ATOM 678 O GLN A 656 1.930 2.589 -0.917 1.00 0.00 O ATOM 679 CB GLN A 656 -0.287 3.131 1.422 1.00 0.00 C ATOM 680 CG GLN A 656 -1.323 3.991 2.153 1.00 0.00 C ATOM 681 CD GLN A 656 -1.319 3.783 3.664 1.00 0.00 C ATOM 682 OE1 GLN A 656 -0.944 4.689 4.414 1.00 0.00 O ATOM 683 NE2 GLN A 656 -1.748 2.627 4.144 1.00 0.00 N ATOM 0 H GLN A 656 -0.286 2.166 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 656 -0.268 4.755 0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.656 2.109 1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.632 3.087 2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -1.131 5.042 1.937 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -2.315 3.762 1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -2.053 1.892 3.506 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -1.773 2.471 5.152 1.00 0.00 H new ATOM 692 N ALA A 657 2.298 4.538 0.165 1.00 0.00 N ATOM 693 CA ALA A 657 3.744 4.600 -0.024 1.00 0.00 C ATOM 694 C ALA A 657 4.450 4.834 1.310 1.00 0.00 C ATOM 695 O ALA A 657 3.875 5.406 2.247 1.00 0.00 O ATOM 696 CB ALA A 657 4.091 5.728 -0.999 1.00 0.00 C ATOM 0 H ALA A 657 1.936 5.327 0.700 1.00 0.00 H new ATOM 0 HA ALA A 657 4.083 3.649 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.171 5.770 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 657 3.610 5.540 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 657 3.739 6.678 -0.597 1.00 0.00 H new ATOM 702 N GLU A 658 5.709 4.411 1.398 1.00 0.00 N ATOM 703 CA GLU A 658 6.529 4.559 2.589 1.00 0.00 C ATOM 704 C GLU A 658 8.003 4.552 2.189 1.00 0.00 C ATOM 705 O GLU A 658 8.398 3.847 1.259 1.00 0.00 O ATOM 706 CB GLU A 658 6.205 3.422 3.568 1.00 0.00 C ATOM 707 CG GLU A 658 6.867 3.648 4.926 1.00 0.00 C ATOM 708 CD GLU A 658 6.241 2.771 6.010 1.00 0.00 C ATOM 709 OE1 GLU A 658 6.331 1.533 5.898 1.00 0.00 O ATOM 710 OE2 GLU A 658 5.676 3.301 7.000 1.00 0.00 O ATOM 0 H GLU A 658 6.192 3.948 0.628 1.00 0.00 H new ATOM 0 HA GLU A 658 6.317 5.506 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.125 3.347 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.543 2.473 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 658 7.933 3.431 4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 658 6.774 4.697 5.207 1.00 0.00 H new ATOM 717 N LYS A 659 8.828 5.368 2.847 1.00 0.00 N ATOM 718 CA LYS A 659 10.253 5.419 2.555 1.00 0.00 C ATOM 719 C LYS A 659 10.932 4.154 3.084 1.00 0.00 C ATOM 720 O LYS A 659 10.467 3.553 4.056 1.00 0.00 O ATOM 721 CB LYS A 659 10.903 6.717 3.079 1.00 0.00 C ATOM 722 CG LYS A 659 11.195 6.810 4.590 1.00 0.00 C ATOM 723 CD LYS A 659 9.973 6.943 5.505 1.00 0.00 C ATOM 724 CE LYS A 659 9.348 8.340 5.466 1.00 0.00 C ATOM 725 NZ LYS A 659 8.057 8.368 6.178 1.00 0.00 N ATOM 0 H LYS A 659 8.528 6.003 3.587 1.00 0.00 H new ATOM 0 HA LYS A 659 10.392 5.444 1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 659 11.843 6.861 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 659 10.253 7.550 2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 659 11.751 5.921 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 659 11.847 7.666 4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 659 9.224 6.207 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 659 10.265 6.710 6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 659 10.031 9.059 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 659 9.202 8.647 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 7.657 9.327 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 7.399 7.698 5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 8.203 8.098 7.172 1.00 0.00 H new ATOM 739 N CYS A 660 11.990 3.731 2.408 1.00 0.00 N ATOM 740 CA CYS A 660 12.803 2.578 2.753 1.00 0.00 C ATOM 741 C CYS A 660 14.221 2.917 2.283 1.00 0.00 C ATOM 742 O CYS A 660 14.391 3.838 1.475 1.00 0.00 O ATOM 743 CB CYS A 660 12.213 1.288 2.170 1.00 0.00 C ATOM 744 SG CYS A 660 12.465 0.947 0.408 1.00 0.00 S ATOM 0 H CYS A 660 12.318 4.205 1.566 1.00 0.00 H new ATOM 0 HA CYS A 660 12.825 2.376 3.824 1.00 0.00 H new ATOM 0 HB2 CYS A 660 12.625 0.450 2.733 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.139 1.300 2.356 1.00 0.00 H new ATOM 749 N MET A 661 15.262 2.260 2.786 1.00 0.00 N ATOM 750 CA MET A 661 16.635 2.536 2.384 1.00 0.00 C ATOM 751 C MET A 661 17.475 1.294 2.600 1.00 0.00 C ATOM 752 O MET A 661 17.681 0.871 3.739 1.00 0.00 O ATOM 753 CB MET A 661 17.288 3.666 3.195 1.00 0.00 C ATOM 754 CG MET A 661 16.580 5.022 3.093 1.00 0.00 C ATOM 755 SD MET A 661 17.364 6.415 3.943 1.00 0.00 S ATOM 756 CE MET A 661 18.955 6.478 3.083 1.00 0.00 C ATOM 0 H MET A 661 15.176 1.521 3.484 1.00 0.00 H new ATOM 0 HA MET A 661 16.594 2.839 1.338 1.00 0.00 H new ATOM 0 HB2 MET A 661 17.324 3.368 4.243 1.00 0.00 H new ATOM 0 HB3 MET A 661 18.319 3.784 2.862 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.485 5.277 2.038 1.00 0.00 H new ATOM 0 HG3 MET A 661 15.570 4.909 3.486 1.00 0.00 H new ATOM 0 HE1 MET A 661 19.218 7.516 2.880 1.00 0.00 H new ATOM 0 HE2 MET A 661 19.724 6.024 3.707 1.00 0.00 H new ATOM 0 HE3 MET A 661 18.882 5.932 2.142 1.00 0.00 H new ATOM 766 N LEU A 662 17.882 0.661 1.512 1.00 0.00 N ATOM 767 CA LEU A 662 18.732 -0.514 1.598 1.00 0.00 C ATOM 768 C LEU A 662 20.136 -0.026 2.013 1.00 0.00 C ATOM 769 O LEU A 662 20.416 1.176 1.927 1.00 0.00 O ATOM 770 CB LEU A 662 18.787 -1.189 0.211 1.00 0.00 C ATOM 771 CG LEU A 662 17.668 -2.178 -0.149 1.00 0.00 C ATOM 772 CD1 LEU A 662 17.879 -3.521 0.548 1.00 0.00 C ATOM 773 CD2 LEU A 662 16.262 -1.653 0.130 1.00 0.00 C ATOM 0 H LEU A 662 17.638 0.940 0.562 1.00 0.00 H new ATOM 0 HA LEU A 662 18.354 -1.236 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.795 -0.403 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.738 -1.716 0.132 1.00 0.00 H new ATOM 0 HG LEU A 662 17.735 -2.312 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 662 17.073 -4.203 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 662 18.834 -3.946 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 662 17.881 -3.374 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.529 -2.409 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 662 16.162 -1.427 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 662 16.090 -0.747 -0.451 1.00 0.00 H new ATOM 785 N PRO A 663 21.037 -0.917 2.462 1.00 0.00 N ATOM 786 CA PRO A 663 22.394 -0.524 2.825 1.00 0.00 C ATOM 787 C PRO A 663 23.118 -0.154 1.520 1.00 0.00 C ATOM 788 O PRO A 663 22.544 -0.306 0.437 1.00 0.00 O ATOM 789 CB PRO A 663 22.995 -1.745 3.525 1.00 0.00 C ATOM 790 CG PRO A 663 22.263 -2.907 2.859 1.00 0.00 C ATOM 791 CD PRO A 663 20.861 -2.349 2.613 1.00 0.00 C ATOM 0 HA PRO A 663 22.463 0.336 3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 663 24.073 -1.807 3.377 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.822 -1.721 4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.746 -3.205 1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 663 22.238 -3.787 3.501 1.00 0.00 H new ATOM 0 HD2 PRO A 663 20.415 -2.786 1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 663 20.196 -2.577 3.446 1.00 0.00 H new ATOM 799 N GLU A 664 24.342 0.377 1.549 1.00 0.00 N ATOM 800 CA GLU A 664 24.981 0.705 0.278 1.00 0.00 C ATOM 801 C GLU A 664 25.372 -0.563 -0.483 1.00 0.00 C ATOM 802 O GLU A 664 25.389 -1.675 0.059 1.00 0.00 O ATOM 803 CB GLU A 664 26.194 1.629 0.434 1.00 0.00 C ATOM 804 CG GLU A 664 27.315 1.045 1.297 1.00 0.00 C ATOM 805 CD GLU A 664 27.087 1.446 2.751 1.00 0.00 C ATOM 806 OE1 GLU A 664 27.294 2.645 3.058 1.00 0.00 O ATOM 807 OE2 GLU A 664 26.602 0.593 3.531 1.00 0.00 O ATOM 0 H GLU A 664 24.884 0.580 2.389 1.00 0.00 H new ATOM 0 HA GLU A 664 24.238 1.254 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.592 1.858 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 664 25.866 2.572 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 664 27.333 -0.041 1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 664 28.283 1.410 0.954 1.00 0.00 H new ATOM 814 N CYS A 665 25.652 -0.382 -1.771 1.00 0.00 N ATOM 815 CA CYS A 665 26.080 -1.464 -2.640 1.00 0.00 C ATOM 816 C CYS A 665 27.568 -1.702 -2.359 1.00 0.00 C ATOM 817 O CYS A 665 28.327 -0.735 -2.485 1.00 0.00 O ATOM 818 CB CYS A 665 25.927 -1.086 -4.116 1.00 0.00 C ATOM 819 SG CYS A 665 24.318 -1.420 -4.862 1.00 0.00 S ATOM 0 H CYS A 665 25.587 0.522 -2.238 1.00 0.00 H new ATOM 0 HA CYS A 665 25.472 -2.348 -2.448 1.00 0.00 H new ATOM 0 HB2 CYS A 665 26.139 -0.022 -4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 665 26.687 -1.620 -4.687 1.00 0.00 H new ATOM 824 N PRO A 666 28.001 -2.920 -1.993 1.00 0.00 N ATOM 825 CA PRO A 666 29.408 -3.207 -1.750 1.00 0.00 C ATOM 826 C PRO A 666 30.133 -3.185 -3.094 1.00 0.00 C ATOM 827 O PRO A 666 29.676 -3.886 -4.031 1.00 0.00 O ATOM 828 CB PRO A 666 29.441 -4.579 -1.073 1.00 0.00 C ATOM 829 CG PRO A 666 28.185 -5.272 -1.601 1.00 0.00 C ATOM 830 CD PRO A 666 27.198 -4.121 -1.808 1.00 0.00 C ATOM 0 HA PRO A 666 29.906 -2.480 -1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 666 30.343 -5.132 -1.333 1.00 0.00 H new ATOM 0 HB3 PRO A 666 29.423 -4.490 0.013 1.00 0.00 H new ATOM 0 HG2 PRO A 666 28.382 -5.803 -2.532 1.00 0.00 H new ATOM 0 HG3 PRO A 666 27.803 -6.005 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 666 26.566 -4.303 -2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 666 26.536 -4.017 -0.948 1.00 0.00 H new