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 92:sc= 1.24 USER MOD Single : A 621 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 627 SER OG : rot 180:sc= 0 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 -155:sc= -1.45 (180deg=-2.17) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= -0.873 X(o=-0.87,f=-0.87) USER MOD Single : A 640 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 642 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0.457) USER MOD Single : A 643 SER OG : rot 180:sc= -0.108 USER MOD Single : A 651 ASN : amide:sc= 0.109 K(o=0.11,f=-4.1!) USER MOD Single : A 656 GLN : amide:sc= 0.509 K(o=0.51,f=-0.19) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl -172:sc= -0.0772 (180deg=-0.189) USER MOD ----------------------------------------------------------------- ATOM 38 N PRO A 614 -19.929 3.065 6.283 1.00 0.00 N ATOM 39 CA PRO A 614 -18.586 3.287 5.807 1.00 0.00 C ATOM 40 C PRO A 614 -18.298 2.489 4.538 1.00 0.00 C ATOM 41 O PRO A 614 -18.991 1.530 4.195 1.00 0.00 O ATOM 42 CB PRO A 614 -17.667 2.876 6.952 1.00 0.00 C ATOM 43 CG PRO A 614 -18.457 1.741 7.581 1.00 0.00 C ATOM 44 CD PRO A 614 -19.906 2.226 7.468 1.00 0.00 C ATOM 0 HA PRO A 614 -18.432 4.330 5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -16.690 2.548 6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -17.494 3.693 7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -18.304 0.801 7.052 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -18.167 1.574 8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -20.597 1.388 7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -20.205 2.786 8.354 1.00 0.00 H new ATOM 52 N CYS A 615 -17.217 2.864 3.865 1.00 0.00 N ATOM 53 CA CYS A 615 -16.757 2.260 2.632 1.00 0.00 C ATOM 54 C CYS A 615 -16.054 0.927 2.894 1.00 0.00 C ATOM 55 O CYS A 615 -14.960 0.894 3.463 1.00 0.00 O ATOM 56 CB CYS A 615 -15.886 3.289 1.909 1.00 0.00 C ATOM 57 SG CYS A 615 -16.883 4.744 1.459 1.00 0.00 S ATOM 0 H CYS A 615 -16.618 3.627 4.180 1.00 0.00 H new ATOM 0 HA CYS A 615 -17.595 2.003 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -15.057 3.590 2.550 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -15.452 2.845 1.013 1.00 0.00 H new ATOM 62 N LEU A 616 -16.708 -0.173 2.511 1.00 0.00 N ATOM 63 CA LEU A 616 -16.219 -1.539 2.659 1.00 0.00 C ATOM 64 C LEU A 616 -14.966 -1.726 1.804 1.00 0.00 C ATOM 65 O LEU A 616 -15.050 -1.740 0.575 1.00 0.00 O ATOM 66 CB LEU A 616 -17.322 -2.529 2.227 1.00 0.00 C ATOM 67 CG LEU A 616 -17.105 -4.018 2.568 1.00 0.00 C ATOM 68 CD1 LEU A 616 -15.746 -4.583 2.147 1.00 0.00 C ATOM 69 CD2 LEU A 616 -17.312 -4.289 4.058 1.00 0.00 C ATOM 0 H LEU A 616 -17.628 -0.131 2.073 1.00 0.00 H new ATOM 0 HA LEU A 616 -15.964 -1.731 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.259 -2.211 2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.448 -2.444 1.148 1.00 0.00 H new ATOM 0 HG LEU A 616 -17.861 -4.535 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -15.686 -5.634 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -15.632 -4.489 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -14.951 -4.028 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -17.151 -5.348 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -16.604 -3.697 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -18.329 -4.016 4.340 1.00 0.00 H new ATOM 81 N LEU A 617 -13.813 -1.920 2.444 1.00 0.00 N ATOM 82 CA LEU A 617 -12.531 -2.135 1.782 1.00 0.00 C ATOM 83 C LEU A 617 -11.826 -3.348 2.396 1.00 0.00 C ATOM 84 O LEU A 617 -12.217 -3.881 3.445 1.00 0.00 O ATOM 85 CB LEU A 617 -11.649 -0.881 1.907 1.00 0.00 C ATOM 86 CG LEU A 617 -12.224 0.357 1.186 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.790 1.633 1.905 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.759 0.367 -0.272 1.00 0.00 C ATOM 0 H LEU A 617 -13.745 -1.932 3.462 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.706 -2.328 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -11.515 -0.646 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.661 -1.100 1.501 1.00 0.00 H new ATOM 0 HG LEU A 617 -13.313 0.312 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -12.201 2.500 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -12.157 1.615 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.702 1.696 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -12.167 1.242 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.670 0.402 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -12.109 -0.537 -0.772 1.00 0.00 H new ATOM 100 N SER A 618 -10.781 -3.807 1.715 1.00 0.00 N ATOM 101 CA SER A 618 -9.964 -4.932 2.143 1.00 0.00 C ATOM 102 C SER A 618 -8.823 -4.426 3.023 1.00 0.00 C ATOM 103 O SER A 618 -8.498 -3.233 2.966 1.00 0.00 O ATOM 104 CB SER A 618 -9.330 -5.575 0.908 1.00 0.00 C ATOM 105 OG SER A 618 -10.320 -5.869 -0.042 1.00 0.00 O ATOM 0 H SER A 618 -10.474 -3.398 0.833 1.00 0.00 H new ATOM 0 HA SER A 618 -10.586 -5.642 2.688 1.00 0.00 H new ATOM 0 HB2 SER A 618 -8.589 -4.901 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 618 -8.805 -6.487 1.192 1.00 0.00 H new ATOM 0 HG SER A 618 -10.412 -5.116 -0.663 1.00 0.00 H new ATOM 111 N PRO A 619 -8.199 -5.284 3.844 1.00 0.00 N ATOM 112 CA PRO A 619 -7.068 -4.851 4.638 1.00 0.00 C ATOM 113 C PRO A 619 -5.915 -4.647 3.640 1.00 0.00 C ATOM 114 O PRO A 619 -5.955 -5.169 2.521 1.00 0.00 O ATOM 115 CB PRO A 619 -6.804 -6.006 5.609 1.00 0.00 C ATOM 116 CG PRO A 619 -7.272 -7.236 4.837 1.00 0.00 C ATOM 117 CD PRO A 619 -8.458 -6.702 4.039 1.00 0.00 C ATOM 0 HA PRO A 619 -7.209 -3.929 5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.749 -6.075 5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.357 -5.882 6.540 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.490 -7.627 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.565 -8.046 5.505 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.550 -7.218 3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.393 -6.858 4.577 1.00 0.00 H new ATOM 125 N TRP A 620 -4.897 -3.870 4.000 1.00 0.00 N ATOM 126 CA TRP A 620 -3.770 -3.672 3.106 1.00 0.00 C ATOM 127 C TRP A 620 -3.096 -5.021 2.895 1.00 0.00 C ATOM 128 O TRP A 620 -2.725 -5.674 3.881 1.00 0.00 O ATOM 129 CB TRP A 620 -2.793 -2.649 3.668 1.00 0.00 C ATOM 130 CG TRP A 620 -3.310 -1.263 3.596 1.00 0.00 C ATOM 131 CD1 TRP A 620 -3.753 -0.509 4.621 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.496 -0.471 2.398 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.267 0.668 4.120 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.163 0.735 2.749 1.00 0.00 C ATOM 135 CE3 TRP A 620 -3.173 -0.672 1.044 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.551 1.679 1.790 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.517 0.288 0.085 1.00 0.00 C ATOM 138 CH2 TRP A 620 -4.234 1.442 0.443 1.00 0.00 C ATOM 0 H TRP A 620 -4.832 -3.376 4.890 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.118 -3.277 2.151 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.572 -2.896 4.706 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -1.853 -2.711 3.119 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -3.712 -0.782 5.665 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -4.676 1.403 4.697 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.657 -1.572 0.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -5.084 2.572 2.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -3.227 0.139 -0.945 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -4.541 2.146 -0.317 1.00 0.00 H new ATOM 149 N SER A 621 -2.966 -5.431 1.630 1.00 0.00 N ATOM 150 CA SER A 621 -2.344 -6.690 1.272 1.00 0.00 C ATOM 151 C SER A 621 -0.853 -6.635 1.618 1.00 0.00 C ATOM 152 O SER A 621 -0.339 -5.670 2.202 1.00 0.00 O ATOM 153 CB SER A 621 -2.629 -7.031 -0.199 1.00 0.00 C ATOM 154 OG SER A 621 -2.475 -8.422 -0.412 1.00 0.00 O ATOM 0 H SER A 621 -3.293 -4.891 0.829 1.00 0.00 H new ATOM 0 HA SER A 621 -2.773 -7.507 1.852 1.00 0.00 H new ATOM 0 HB2 SER A 621 -3.641 -6.724 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 621 -1.949 -6.478 -0.847 1.00 0.00 H new ATOM 0 HG SER A 621 -2.660 -8.632 -1.351 1.00 0.00 H new ATOM 160 N GLU A 622 -0.139 -7.708 1.318 1.00 0.00 N ATOM 161 CA GLU A 622 1.274 -7.782 1.619 1.00 0.00 C ATOM 162 C GLU A 622 2.107 -6.810 0.799 1.00 0.00 C ATOM 163 O GLU A 622 1.837 -6.516 -0.372 1.00 0.00 O ATOM 164 CB GLU A 622 1.789 -9.216 1.484 1.00 0.00 C ATOM 165 CG GLU A 622 1.159 -10.066 2.584 1.00 0.00 C ATOM 166 CD GLU A 622 1.874 -11.395 2.776 1.00 0.00 C ATOM 167 OE1 GLU A 622 1.867 -12.222 1.840 1.00 0.00 O ATOM 168 OE2 GLU A 622 2.359 -11.642 3.906 1.00 0.00 O ATOM 0 H GLU A 622 -0.519 -8.539 0.865 1.00 0.00 H new ATOM 0 HA GLU A 622 1.389 -7.475 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 622 1.535 -9.618 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 622 2.876 -9.237 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 622 1.174 -9.510 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 622 0.113 -10.252 2.341 1.00 0.00 H new ATOM 175 N TRP A 623 3.128 -6.302 1.476 1.00 0.00 N ATOM 176 CA TRP A 623 4.129 -5.393 0.987 1.00 0.00 C ATOM 177 C TRP A 623 5.127 -6.139 0.102 1.00 0.00 C ATOM 178 O TRP A 623 5.379 -7.335 0.286 1.00 0.00 O ATOM 179 CB TRP A 623 4.912 -4.845 2.191 1.00 0.00 C ATOM 180 CG TRP A 623 4.342 -3.701 2.974 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.933 -3.682 4.264 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.301 -2.323 2.542 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.648 -2.374 4.639 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.837 -1.489 3.595 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.685 -1.707 1.349 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.673 -0.100 3.421 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.613 -0.319 1.203 1.00 0.00 C ATOM 188 CH2 TRP A 623 4.044 0.484 2.194 1.00 0.00 C ATOM 0 H TRP A 623 3.280 -6.540 2.456 1.00 0.00 H new ATOM 0 HA TRP A 623 3.644 -4.598 0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.069 -5.671 2.884 1.00 0.00 H new ATOM 0 HB3 TRP A 623 5.895 -4.540 1.832 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.842 -4.548 4.903 1.00 0.00 H new ATOM 0 HE1 TRP A 623 3.337 -2.101 5.571 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.042 -2.311 0.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 3.269 0.508 4.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 5.004 0.141 0.308 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.890 1.539 2.022 1.00 0.00 H new ATOM 199 N SER A 624 5.695 -5.408 -0.849 1.00 0.00 N ATOM 200 CA SER A 624 6.722 -5.888 -1.755 1.00 0.00 C ATOM 201 C SER A 624 8.026 -5.444 -1.085 1.00 0.00 C ATOM 202 O SER A 624 7.996 -4.777 -0.047 1.00 0.00 O ATOM 203 CB SER A 624 6.534 -5.215 -3.115 1.00 0.00 C ATOM 204 OG SER A 624 7.282 -5.843 -4.135 1.00 0.00 O ATOM 0 H SER A 624 5.443 -4.433 -1.013 1.00 0.00 H new ATOM 0 HA SER A 624 6.701 -6.964 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 624 5.477 -5.230 -3.382 1.00 0.00 H new ATOM 0 HB3 SER A 624 6.830 -4.168 -3.043 1.00 0.00 H new ATOM 0 HG SER A 624 7.129 -5.380 -4.985 1.00 0.00 H new ATOM 210 N ASP A 625 9.185 -5.813 -1.603 1.00 0.00 N ATOM 211 CA ASP A 625 10.443 -5.386 -1.002 1.00 0.00 C ATOM 212 C ASP A 625 10.729 -3.983 -1.559 1.00 0.00 C ATOM 213 O ASP A 625 10.068 -3.532 -2.508 1.00 0.00 O ATOM 214 CB ASP A 625 11.534 -6.438 -1.243 1.00 0.00 C ATOM 215 CG ASP A 625 11.014 -7.863 -0.985 1.00 0.00 C ATOM 216 OD1 ASP A 625 10.717 -8.201 0.183 1.00 0.00 O ATOM 217 OD2 ASP A 625 10.765 -8.591 -1.977 1.00 0.00 O ATOM 0 H ASP A 625 9.284 -6.401 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 625 10.403 -5.310 0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.894 -6.362 -2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 625 12.384 -6.237 -0.591 1.00 0.00 H new ATOM 222 N CYS A 626 11.658 -3.236 -0.968 1.00 0.00 N ATOM 223 CA CYS A 626 11.974 -1.895 -1.455 1.00 0.00 C ATOM 224 C CYS A 626 12.551 -1.988 -2.862 1.00 0.00 C ATOM 225 O CYS A 626 13.249 -2.951 -3.187 1.00 0.00 O ATOM 226 CB CYS A 626 12.929 -1.214 -0.485 1.00 0.00 C ATOM 227 SG CYS A 626 12.241 -1.030 1.185 1.00 0.00 S ATOM 0 H CYS A 626 12.202 -3.533 -0.158 1.00 0.00 H new ATOM 0 HA CYS A 626 11.071 -1.287 -1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.852 -1.791 -0.429 1.00 0.00 H new ATOM 0 HB3 CYS A 626 13.191 -0.230 -0.874 1.00 0.00 H new ATOM 232 N SER A 627 12.268 -0.980 -3.685 1.00 0.00 N ATOM 233 CA SER A 627 12.725 -0.938 -5.060 1.00 0.00 C ATOM 234 C SER A 627 14.253 -0.931 -5.076 1.00 0.00 C ATOM 235 O SER A 627 14.872 -1.852 -5.616 1.00 0.00 O ATOM 236 CB SER A 627 12.083 0.267 -5.752 1.00 0.00 C ATOM 237 OG SER A 627 11.998 0.082 -7.148 1.00 0.00 O ATOM 0 H SER A 627 11.713 -0.170 -3.410 1.00 0.00 H new ATOM 0 HA SER A 627 12.418 -1.820 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 627 11.085 0.431 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 627 12.666 1.163 -5.538 1.00 0.00 H new ATOM 0 HG SER A 627 11.582 0.869 -7.558 1.00 0.00 H new ATOM 243 N VAL A 628 14.862 0.096 -4.482 1.00 0.00 N ATOM 244 CA VAL A 628 16.309 0.190 -4.433 1.00 0.00 C ATOM 245 C VAL A 628 16.851 -0.927 -3.546 1.00 0.00 C ATOM 246 O VAL A 628 16.212 -1.317 -2.566 1.00 0.00 O ATOM 247 CB VAL A 628 16.726 1.582 -3.920 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.922 1.677 -2.396 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.987 2.063 -4.632 1.00 0.00 C ATOM 0 H VAL A 628 14.372 0.869 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 628 16.730 0.069 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 628 15.883 2.232 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 628 17.214 2.693 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.989 1.424 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.702 0.982 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 628 18.264 3.047 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.800 1.361 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.799 2.125 -5.704 1.00 0.00 H new ATOM 259 N THR A 629 18.061 -1.372 -3.857 1.00 0.00 N ATOM 260 CA THR A 629 18.717 -2.414 -3.074 1.00 0.00 C ATOM 261 C THR A 629 19.592 -1.777 -1.986 1.00 0.00 C ATOM 262 O THR A 629 19.882 -2.414 -0.976 1.00 0.00 O ATOM 263 CB THR A 629 19.579 -3.336 -3.955 1.00 0.00 C ATOM 264 OG1 THR A 629 19.182 -3.337 -5.322 1.00 0.00 O ATOM 265 CG2 THR A 629 19.545 -4.772 -3.433 1.00 0.00 C ATOM 0 H THR A 629 18.609 -1.029 -4.646 1.00 0.00 H new ATOM 0 HA THR A 629 17.937 -3.022 -2.616 1.00 0.00 H new ATOM 0 HB THR A 629 20.591 -2.935 -3.900 1.00 0.00 H new ATOM 0 HG1 THR A 629 19.765 -3.938 -5.832 1.00 0.00 H new ATOM 0 HG21 THR A 629 20.161 -5.406 -4.071 1.00 0.00 H new ATOM 0 HG22 THR A 629 19.931 -4.798 -2.414 1.00 0.00 H new ATOM 0 HG23 THR A 629 18.518 -5.138 -3.441 1.00 0.00 H new ATOM 273 N CYS A 630 20.012 -0.521 -2.183 1.00 0.00 N ATOM 274 CA CYS A 630 20.847 0.222 -1.259 1.00 0.00 C ATOM 275 C CYS A 630 20.606 1.716 -1.386 1.00 0.00 C ATOM 276 O CYS A 630 20.258 2.207 -2.462 1.00 0.00 O ATOM 277 CB CYS A 630 22.328 -0.028 -1.551 1.00 0.00 C ATOM 278 SG CYS A 630 22.782 0.011 -3.301 1.00 0.00 S ATOM 0 H CYS A 630 19.768 0.013 -3.017 1.00 0.00 H new ATOM 0 HA CYS A 630 20.590 -0.117 -0.255 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.918 0.720 -1.022 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.604 -1.000 -1.142 1.00 0.00 H new ATOM 283 N GLY A 631 20.889 2.445 -0.314 1.00 0.00 N ATOM 284 CA GLY A 631 20.748 3.887 -0.264 1.00 0.00 C ATOM 285 C GLY A 631 19.291 4.338 -0.208 1.00 0.00 C ATOM 286 O GLY A 631 18.403 3.580 0.181 1.00 0.00 O ATOM 0 H GLY A 631 21.229 2.040 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.275 4.269 0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.225 4.325 -1.141 1.00 0.00 H new ATOM 290 N LYS A 632 19.034 5.613 -0.531 1.00 0.00 N ATOM 291 CA LYS A 632 17.686 6.195 -0.518 1.00 0.00 C ATOM 292 C LYS A 632 16.789 5.431 -1.493 1.00 0.00 C ATOM 293 O LYS A 632 17.169 5.245 -2.652 1.00 0.00 O ATOM 294 CB LYS A 632 17.709 7.700 -0.838 1.00 0.00 C ATOM 295 CG LYS A 632 18.148 8.616 0.322 1.00 0.00 C ATOM 296 CD LYS A 632 19.641 8.541 0.688 1.00 0.00 C ATOM 297 CE LYS A 632 19.960 7.514 1.787 1.00 0.00 C ATOM 298 NZ LYS A 632 19.875 8.072 3.150 1.00 0.00 N ATOM 0 H LYS A 632 19.760 6.273 -0.810 1.00 0.00 H new ATOM 0 HA LYS A 632 17.278 6.098 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 632 18.379 7.865 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 632 16.712 8.001 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 632 17.906 9.646 0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 632 17.561 8.364 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 632 20.213 8.292 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 632 19.975 9.525 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 632 19.270 6.675 1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 632 20.963 7.119 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 20.101 7.330 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 20.552 8.855 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 18.912 8.424 3.321 1.00 0.00 H new ATOM 312 N GLY A 633 15.610 5.013 -1.039 1.00 0.00 N ATOM 313 CA GLY A 633 14.633 4.265 -1.814 1.00 0.00 C ATOM 314 C GLY A 633 13.266 4.316 -1.142 1.00 0.00 C ATOM 315 O GLY A 633 13.052 5.064 -0.178 1.00 0.00 O ATOM 0 H GLY A 633 15.301 5.195 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.566 4.678 -2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.957 3.229 -1.915 1.00 0.00 H new ATOM 319 N MET A 634 12.312 3.559 -1.669 1.00 0.00 N ATOM 320 CA MET A 634 10.951 3.425 -1.186 1.00 0.00 C ATOM 321 C MET A 634 10.379 2.089 -1.653 1.00 0.00 C ATOM 322 O MET A 634 11.002 1.364 -2.434 1.00 0.00 O ATOM 323 CB MET A 634 10.095 4.651 -1.519 1.00 0.00 C ATOM 324 CG MET A 634 9.861 4.966 -2.991 1.00 0.00 C ATOM 325 SD MET A 634 8.910 6.500 -3.175 1.00 0.00 S ATOM 326 CE MET A 634 7.345 5.972 -2.435 1.00 0.00 C ATOM 0 H MET A 634 12.483 2.988 -2.497 1.00 0.00 H new ATOM 0 HA MET A 634 10.945 3.403 -0.096 1.00 0.00 H new ATOM 0 HB2 MET A 634 9.123 4.521 -1.044 1.00 0.00 H new ATOM 0 HB3 MET A 634 10.561 5.522 -1.059 1.00 0.00 H new ATOM 0 HG2 MET A 634 10.818 5.062 -3.504 1.00 0.00 H new ATOM 0 HG3 MET A 634 9.327 4.142 -3.464 1.00 0.00 H new ATOM 0 HE1 MET A 634 6.531 6.577 -2.835 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.167 4.923 -2.670 1.00 0.00 H new ATOM 0 HE3 MET A 634 7.393 6.098 -1.353 1.00 0.00 H new ATOM 336 N ARG A 635 9.194 1.766 -1.147 1.00 0.00 N ATOM 337 CA ARG A 635 8.440 0.560 -1.382 1.00 0.00 C ATOM 338 C ARG A 635 6.968 0.932 -1.496 1.00 0.00 C ATOM 339 O ARG A 635 6.575 1.989 -0.990 1.00 0.00 O ATOM 340 CB ARG A 635 8.695 -0.262 -0.112 1.00 0.00 C ATOM 341 CG ARG A 635 7.820 -1.485 0.032 1.00 0.00 C ATOM 342 CD ARG A 635 7.982 -2.196 1.368 1.00 0.00 C ATOM 343 NE ARG A 635 7.627 -1.407 2.564 1.00 0.00 N ATOM 344 CZ ARG A 635 7.347 -1.980 3.744 1.00 0.00 C ATOM 345 NH1 ARG A 635 7.462 -3.299 3.893 1.00 0.00 N ATOM 346 NH2 ARG A 635 6.950 -1.256 4.785 1.00 0.00 N ATOM 0 H ARG A 635 8.705 2.397 -0.512 1.00 0.00 H new ATOM 0 HA ARG A 635 8.715 0.021 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 635 9.739 -0.575 -0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 635 8.546 0.380 0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 635 6.777 -1.192 -0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 635 8.051 -2.184 -0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.368 -3.097 1.355 1.00 0.00 H new ATOM 0 HD3 ARG A 635 9.019 -2.518 1.463 1.00 0.00 H new ATOM 0 HE ARG A 635 7.593 -0.390 2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 635 7.764 -3.876 3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 635 7.248 -3.731 4.792 1.00 0.00 H new ATOM 0 HH21 ARG A 635 6.853 -0.245 4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 635 6.742 -1.712 5.674 1.00 0.00 H new ATOM 360 N THR A 636 6.154 0.053 -2.075 1.00 0.00 N ATOM 361 CA THR A 636 4.719 0.256 -2.228 1.00 0.00 C ATOM 362 C THR A 636 3.942 -1.050 -2.010 1.00 0.00 C ATOM 363 O THR A 636 4.539 -2.133 -1.942 1.00 0.00 O ATOM 364 CB THR A 636 4.412 0.862 -3.595 1.00 0.00 C ATOM 365 OG1 THR A 636 4.710 -0.077 -4.605 1.00 0.00 O ATOM 366 CG2 THR A 636 5.216 2.123 -3.920 1.00 0.00 C ATOM 0 H THR A 636 6.480 -0.835 -2.457 1.00 0.00 H new ATOM 0 HA THR A 636 4.391 0.957 -1.461 1.00 0.00 H new ATOM 0 HB THR A 636 3.356 1.131 -3.558 1.00 0.00 H new ATOM 0 HG1 THR A 636 4.511 0.312 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.937 2.488 -4.908 1.00 0.00 H new ATOM 0 HG22 THR A 636 5.004 2.891 -3.176 1.00 0.00 H new ATOM 0 HG23 THR A 636 6.281 1.889 -3.907 1.00 0.00 H new ATOM 374 N ARG A 637 2.620 -0.961 -1.834 1.00 0.00 N ATOM 375 CA ARG A 637 1.700 -2.084 -1.661 1.00 0.00 C ATOM 376 C ARG A 637 0.312 -1.634 -2.062 1.00 0.00 C ATOM 377 O ARG A 637 0.014 -0.441 -2.022 1.00 0.00 O ATOM 378 CB ARG A 637 1.695 -2.699 -0.255 1.00 0.00 C ATOM 379 CG ARG A 637 1.177 -1.866 0.930 1.00 0.00 C ATOM 380 CD ARG A 637 0.722 -2.800 2.058 1.00 0.00 C ATOM 381 NE ARG A 637 0.721 -2.162 3.388 1.00 0.00 N ATOM 382 CZ ARG A 637 0.495 -2.831 4.529 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.111 -4.103 4.499 1.00 0.00 N ATOM 384 NH2 ARG A 637 0.654 -2.249 5.714 1.00 0.00 N ATOM 0 H ARG A 637 2.142 -0.060 -1.807 1.00 0.00 H new ATOM 0 HA ARG A 637 2.053 -2.889 -2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.100 -3.611 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.718 -2.996 -0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.962 -1.201 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.347 -1.236 0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.282 -3.161 1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.376 -3.672 2.083 1.00 0.00 H new ATOM 0 HE ARG A 637 0.902 -1.160 3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -0.014 -4.577 3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.059 -4.605 5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 637 0.953 -1.275 5.768 1.00 0.00 H new ATOM 0 HH22 ARG A 637 0.477 -2.776 6.569 1.00 0.00 H new ATOM 398 N GLN A 638 -0.547 -2.594 -2.380 1.00 0.00 N ATOM 399 CA GLN A 638 -1.915 -2.340 -2.779 1.00 0.00 C ATOM 400 C GLN A 638 -2.851 -3.317 -2.074 1.00 0.00 C ATOM 401 O GLN A 638 -2.447 -4.086 -1.198 1.00 0.00 O ATOM 402 CB GLN A 638 -2.017 -2.336 -4.323 1.00 0.00 C ATOM 403 CG GLN A 638 -1.544 -3.612 -5.044 1.00 0.00 C ATOM 404 CD GLN A 638 -2.423 -4.829 -4.761 1.00 0.00 C ATOM 405 OE1 GLN A 638 -3.586 -4.898 -5.147 1.00 0.00 O ATOM 406 NE2 GLN A 638 -1.919 -5.824 -4.055 1.00 0.00 N ATOM 0 H GLN A 638 -0.304 -3.584 -2.366 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.239 -1.349 -2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -3.057 -2.155 -4.596 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.437 -1.495 -4.702 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -1.526 -3.428 -6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -0.521 -3.834 -4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -0.954 -5.780 -3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -2.495 -6.637 -3.837 1.00 0.00 H new ATOM 415 N ARG A 639 -4.125 -3.230 -2.418 1.00 0.00 N ATOM 416 CA ARG A 639 -5.245 -4.026 -1.955 1.00 0.00 C ATOM 417 C ARG A 639 -6.317 -3.889 -3.030 1.00 0.00 C ATOM 418 O ARG A 639 -6.171 -3.095 -3.962 1.00 0.00 O ATOM 419 CB ARG A 639 -5.741 -3.548 -0.581 1.00 0.00 C ATOM 420 CG ARG A 639 -6.187 -2.079 -0.563 1.00 0.00 C ATOM 421 CD ARG A 639 -6.804 -1.731 0.789 1.00 0.00 C ATOM 422 NE ARG A 639 -7.114 -0.298 0.896 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.747 0.282 1.920 1.00 0.00 C ATOM 424 NH1 ARG A 639 -8.199 -0.427 2.953 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.936 1.592 1.889 1.00 0.00 N ATOM 0 H ARG A 639 -4.428 -2.530 -3.095 1.00 0.00 H new ATOM 0 HA ARG A 639 -4.966 -5.070 -1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.575 -4.176 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.945 -3.686 0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.334 -1.430 -0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.912 -1.902 -1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.715 -2.312 0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.116 -2.014 1.586 1.00 0.00 H new ATOM 0 HE ARG A 639 -6.822 0.303 0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -8.065 -1.438 2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -8.679 0.041 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.601 2.137 1.095 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -8.417 2.056 2.660 1.00 0.00 H new ATOM 439 N MET A 640 -7.414 -4.619 -2.894 1.00 0.00 N ATOM 440 CA MET A 640 -8.519 -4.581 -3.835 1.00 0.00 C ATOM 441 C MET A 640 -9.770 -4.117 -3.106 1.00 0.00 C ATOM 442 O MET A 640 -9.823 -4.084 -1.872 1.00 0.00 O ATOM 443 CB MET A 640 -8.695 -5.955 -4.487 1.00 0.00 C ATOM 444 CG MET A 640 -7.410 -6.369 -5.210 1.00 0.00 C ATOM 445 SD MET A 640 -7.601 -7.818 -6.265 1.00 0.00 S ATOM 446 CE MET A 640 -8.157 -7.000 -7.786 1.00 0.00 C ATOM 0 H MET A 640 -7.562 -5.262 -2.116 1.00 0.00 H new ATOM 0 HA MET A 640 -8.317 -3.873 -4.639 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.948 -6.695 -3.728 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.525 -5.926 -5.193 1.00 0.00 H new ATOM 0 HG2 MET A 640 -7.061 -5.533 -5.817 1.00 0.00 H new ATOM 0 HG3 MET A 640 -6.636 -6.570 -4.469 1.00 0.00 H new ATOM 0 HE1 MET A 640 -8.328 -7.748 -8.560 1.00 0.00 H new ATOM 0 HE2 MET A 640 -9.084 -6.461 -7.591 1.00 0.00 H new ATOM 0 HE3 MET A 640 -7.393 -6.298 -8.122 1.00 0.00 H new ATOM 456 N LEU A 641 -10.781 -3.722 -3.866 1.00 0.00 N ATOM 457 CA LEU A 641 -12.045 -3.255 -3.338 1.00 0.00 C ATOM 458 C LEU A 641 -12.951 -4.462 -3.127 1.00 0.00 C ATOM 459 O LEU A 641 -13.432 -5.076 -4.075 1.00 0.00 O ATOM 460 CB LEU A 641 -12.631 -2.273 -4.343 1.00 0.00 C ATOM 461 CG LEU A 641 -14.014 -1.739 -3.984 1.00 0.00 C ATOM 462 CD1 LEU A 641 -14.041 -1.047 -2.623 1.00 0.00 C ATOM 463 CD2 LEU A 641 -14.462 -0.771 -5.081 1.00 0.00 C ATOM 0 H LEU A 641 -10.740 -3.719 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 641 -11.930 -2.748 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -11.947 -1.430 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.687 -2.761 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.699 -2.584 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -15.049 -0.686 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -13.745 -1.755 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -13.349 -0.205 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -15.450 -0.380 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -13.752 0.053 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -14.503 -1.296 -6.035 1.00 0.00 H new ATOM 475 N LYS A 642 -13.170 -4.814 -1.864 1.00 0.00 N ATOM 476 CA LYS A 642 -14.004 -5.950 -1.451 1.00 0.00 C ATOM 477 C LYS A 642 -15.477 -5.552 -1.333 1.00 0.00 C ATOM 478 O LYS A 642 -16.169 -6.073 -0.453 1.00 0.00 O ATOM 479 CB LYS A 642 -13.439 -6.599 -0.165 1.00 0.00 C ATOM 480 CG LYS A 642 -12.621 -7.876 -0.433 1.00 0.00 C ATOM 481 CD LYS A 642 -13.385 -9.084 -1.004 1.00 0.00 C ATOM 482 CE LYS A 642 -14.679 -9.483 -0.276 1.00 0.00 C ATOM 483 NZ LYS A 642 -15.883 -8.818 -0.829 1.00 0.00 N ATOM 0 H LYS A 642 -12.765 -4.308 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 642 -13.967 -6.712 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.809 -5.875 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.265 -6.839 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -11.817 -7.625 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -12.153 -8.182 0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -13.630 -8.872 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -12.714 -9.943 -1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -14.806 -10.564 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -14.586 -9.234 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -16.731 -9.361 -0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -15.956 -7.855 -0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -15.808 -8.771 -1.865 1.00 0.00 H new ATOM 497 N SER A 643 -15.961 -4.611 -2.130 1.00 0.00 N ATOM 498 CA SER A 643 -17.353 -4.184 -2.074 1.00 0.00 C ATOM 499 C SER A 643 -18.329 -5.339 -2.367 1.00 0.00 C ATOM 500 O SER A 643 -17.909 -6.460 -2.673 1.00 0.00 O ATOM 501 CB SER A 643 -17.491 -2.983 -3.002 1.00 0.00 C ATOM 502 OG SER A 643 -17.025 -3.268 -4.305 1.00 0.00 O ATOM 0 H SER A 643 -15.404 -4.123 -2.831 1.00 0.00 H new ATOM 0 HA SER A 643 -17.631 -3.877 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 643 -18.537 -2.679 -3.049 1.00 0.00 H new ATOM 0 HB3 SER A 643 -16.932 -2.142 -2.592 1.00 0.00 H new ATOM 0 HG SER A 643 -17.131 -2.475 -4.871 1.00 0.00 H new ATOM 508 N LEU A 644 -19.635 -5.080 -2.244 1.00 0.00 N ATOM 509 CA LEU A 644 -20.684 -6.073 -2.480 1.00 0.00 C ATOM 510 C LEU A 644 -21.758 -5.590 -3.452 1.00 0.00 C ATOM 511 O LEU A 644 -22.643 -6.373 -3.791 1.00 0.00 O ATOM 512 CB LEU A 644 -21.315 -6.557 -1.159 1.00 0.00 C ATOM 513 CG LEU A 644 -22.270 -5.552 -0.472 1.00 0.00 C ATOM 514 CD1 LEU A 644 -23.262 -6.311 0.417 1.00 0.00 C ATOM 515 CD2 LEU A 644 -21.513 -4.549 0.407 1.00 0.00 C ATOM 0 H LEU A 644 -19.996 -4.165 -1.975 1.00 0.00 H new ATOM 0 HA LEU A 644 -20.191 -6.921 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -21.864 -7.478 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -20.514 -6.805 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 644 -22.786 -5.006 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -23.934 -5.602 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -23.842 -7.003 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -22.716 -6.869 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -22.222 -3.863 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -20.967 -5.085 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -20.810 -3.985 -0.207 1.00 0.00 H new ATOM 527 N ALA A 645 -21.725 -4.327 -3.874 1.00 0.00 N ATOM 528 CA ALA A 645 -22.677 -3.747 -4.801 1.00 0.00 C ATOM 529 C ALA A 645 -21.882 -2.834 -5.730 1.00 0.00 C ATOM 530 O ALA A 645 -21.575 -3.205 -6.863 1.00 0.00 O ATOM 531 CB ALA A 645 -23.794 -3.017 -4.043 1.00 0.00 C ATOM 0 H ALA A 645 -21.012 -3.665 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 645 -23.185 -4.508 -5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -24.498 -2.589 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -24.316 -3.722 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -23.362 -2.221 -3.437 1.00 0.00 H new ATOM 537 N GLU A 646 -21.487 -1.672 -5.225 1.00 0.00 N ATOM 538 CA GLU A 646 -20.719 -0.616 -5.862 1.00 0.00 C ATOM 539 C GLU A 646 -20.081 0.162 -4.702 1.00 0.00 C ATOM 540 O GLU A 646 -20.629 0.151 -3.591 1.00 0.00 O ATOM 541 CB GLU A 646 -21.734 0.244 -6.643 1.00 0.00 C ATOM 542 CG GLU A 646 -21.249 1.612 -7.136 1.00 0.00 C ATOM 543 CD GLU A 646 -20.260 1.575 -8.306 1.00 0.00 C ATOM 544 OE1 GLU A 646 -19.775 0.481 -8.682 1.00 0.00 O ATOM 545 OE2 GLU A 646 -20.044 2.646 -8.916 1.00 0.00 O ATOM 0 H GLU A 646 -21.721 -1.424 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 646 -19.946 -0.954 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -22.070 -0.329 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -22.605 0.402 -6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -22.117 2.201 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -20.780 2.135 -6.302 1.00 0.00 H new ATOM 552 N LEU A 647 -18.937 0.810 -4.918 1.00 0.00 N ATOM 553 CA LEU A 647 -18.248 1.616 -3.911 1.00 0.00 C ATOM 554 C LEU A 647 -17.745 2.905 -4.570 1.00 0.00 C ATOM 555 O LEU A 647 -18.296 3.321 -5.587 1.00 0.00 O ATOM 556 CB LEU A 647 -17.162 0.821 -3.153 1.00 0.00 C ATOM 557 CG LEU A 647 -17.187 0.988 -1.615 1.00 0.00 C ATOM 558 CD1 LEU A 647 -17.298 2.442 -1.140 1.00 0.00 C ATOM 559 CD2 LEU A 647 -18.301 0.152 -0.981 1.00 0.00 C ATOM 0 H LEU A 647 -18.454 0.789 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 647 -18.949 1.897 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -17.274 -0.237 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -16.183 1.129 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 647 -16.216 0.624 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -17.309 2.469 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -16.445 3.011 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -18.219 2.881 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -18.291 0.292 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -19.265 0.469 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -18.142 -0.901 -1.212 1.00 0.00 H new ATOM 571 N GLY A 648 -16.755 3.577 -3.979 1.00 0.00 N ATOM 572 CA GLY A 648 -16.196 4.832 -4.468 1.00 0.00 C ATOM 573 C GLY A 648 -16.901 6.032 -3.820 1.00 0.00 C ATOM 574 O GLY A 648 -16.723 7.166 -4.264 1.00 0.00 O ATOM 0 H GLY A 648 -16.309 3.250 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -15.129 4.870 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -16.301 4.884 -5.552 1.00 0.00 H new ATOM 578 N ASP A 649 -17.734 5.781 -2.803 1.00 0.00 N ATOM 579 CA ASP A 649 -18.483 6.792 -2.054 1.00 0.00 C ATOM 580 C ASP A 649 -17.537 7.653 -1.213 1.00 0.00 C ATOM 581 O ASP A 649 -17.856 8.798 -0.882 1.00 0.00 O ATOM 582 CB ASP A 649 -19.498 6.083 -1.152 1.00 0.00 C ATOM 583 CG ASP A 649 -20.516 7.028 -0.509 1.00 0.00 C ATOM 584 OD1 ASP A 649 -21.329 7.610 -1.265 1.00 0.00 O ATOM 585 OD2 ASP A 649 -20.728 6.945 0.724 1.00 0.00 O ATOM 0 H ASP A 649 -17.910 4.834 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 649 -19.002 7.449 -2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -20.031 5.334 -1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -18.962 5.551 -0.366 1.00 0.00 H new ATOM 590 N CYS A 650 -16.363 7.110 -0.881 1.00 0.00 N ATOM 591 CA CYS A 650 -15.330 7.765 -0.109 1.00 0.00 C ATOM 592 C CYS A 650 -14.255 8.318 -1.049 1.00 0.00 C ATOM 593 O CYS A 650 -14.404 8.396 -2.274 1.00 0.00 O ATOM 594 CB CYS A 650 -14.761 6.799 0.944 1.00 0.00 C ATOM 595 SG CYS A 650 -15.910 6.335 2.251 1.00 0.00 S ATOM 0 H CYS A 650 -16.106 6.163 -1.159 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.750 8.611 0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.423 5.894 0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -13.883 7.257 1.399 1.00 0.00 H new ATOM 600 N ASN A 651 -13.167 8.751 -0.429 1.00 0.00 N ATOM 601 CA ASN A 651 -11.967 9.344 -0.988 1.00 0.00 C ATOM 602 C ASN A 651 -10.742 8.496 -0.603 1.00 0.00 C ATOM 603 O ASN A 651 -9.676 9.033 -0.298 1.00 0.00 O ATOM 604 CB ASN A 651 -11.870 10.771 -0.422 1.00 0.00 C ATOM 605 CG ASN A 651 -11.566 10.798 1.077 1.00 0.00 C ATOM 606 OD1 ASN A 651 -11.835 9.855 1.827 1.00 0.00 O ATOM 607 ND2 ASN A 651 -11.014 11.888 1.559 1.00 0.00 N ATOM 0 H ASN A 651 -13.099 8.687 0.587 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.002 9.379 -2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -11.091 11.316 -0.955 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -12.808 11.294 -0.607 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -10.806 11.957 2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -10.793 12.666 0.937 1.00 0.00 H new ATOM 614 N GLU A 652 -10.926 7.183 -0.448 1.00 0.00 N ATOM 615 CA GLU A 652 -9.880 6.242 -0.067 1.00 0.00 C ATOM 616 C GLU A 652 -8.871 5.975 -1.190 1.00 0.00 C ATOM 617 O GLU A 652 -8.943 6.538 -2.291 1.00 0.00 O ATOM 618 CB GLU A 652 -10.520 4.933 0.443 1.00 0.00 C ATOM 619 CG GLU A 652 -11.197 4.078 -0.644 1.00 0.00 C ATOM 620 CD GLU A 652 -12.664 4.456 -0.848 1.00 0.00 C ATOM 621 OE1 GLU A 652 -12.897 5.476 -1.536 1.00 0.00 O ATOM 622 OE2 GLU A 652 -13.552 3.782 -0.287 1.00 0.00 O ATOM 0 H GLU A 652 -11.832 6.737 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 652 -9.305 6.699 0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -9.750 4.334 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -11.260 5.180 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -10.659 4.197 -1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -11.130 3.025 -0.370 1.00 0.00 H new ATOM 629 N ASP A 653 -7.930 5.077 -0.890 1.00 0.00 N ATOM 630 CA ASP A 653 -6.868 4.621 -1.765 1.00 0.00 C ATOM 631 C ASP A 653 -6.807 3.099 -1.692 1.00 0.00 C ATOM 632 O ASP A 653 -7.048 2.502 -0.632 1.00 0.00 O ATOM 633 CB ASP A 653 -5.482 5.123 -1.318 1.00 0.00 C ATOM 634 CG ASP A 653 -5.289 6.633 -1.297 1.00 0.00 C ATOM 635 OD1 ASP A 653 -5.057 7.212 -2.386 1.00 0.00 O ATOM 636 OD2 ASP A 653 -5.307 7.196 -0.179 1.00 0.00 O ATOM 0 H ASP A 653 -7.894 4.628 0.025 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.088 5.000 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.285 4.738 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -4.731 4.691 -1.980 1.00 0.00 H new ATOM 641 N LEU A 654 -6.407 2.475 -2.798 1.00 0.00 N ATOM 642 CA LEU A 654 -6.228 1.034 -2.948 1.00 0.00 C ATOM 643 C LEU A 654 -4.728 0.718 -3.036 1.00 0.00 C ATOM 644 O LEU A 654 -4.360 -0.453 -3.068 1.00 0.00 O ATOM 645 CB LEU A 654 -6.994 0.487 -4.162 1.00 0.00 C ATOM 646 CG LEU A 654 -8.521 0.407 -3.998 1.00 0.00 C ATOM 647 CD1 LEU A 654 -9.093 -0.098 -5.321 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.969 -0.532 -2.870 1.00 0.00 C ATOM 0 H LEU A 654 -6.189 2.985 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.646 0.535 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.771 1.115 -5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.617 -0.510 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.885 1.400 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -10.178 -0.169 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.830 0.596 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.680 -1.082 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -10.057 -0.538 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.610 -1.541 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.558 -0.184 -1.922 1.00 0.00 H new ATOM 660 N GLU A 655 -3.864 1.737 -3.011 1.00 0.00 N ATOM 661 CA GLU A 655 -2.404 1.670 -3.053 1.00 0.00 C ATOM 662 C GLU A 655 -1.826 2.627 -2.003 1.00 0.00 C ATOM 663 O GLU A 655 -2.471 3.609 -1.628 1.00 0.00 O ATOM 664 CB GLU A 655 -1.907 2.008 -4.464 1.00 0.00 C ATOM 665 CG GLU A 655 -0.377 2.118 -4.602 1.00 0.00 C ATOM 666 CD GLU A 655 0.017 1.971 -6.070 1.00 0.00 C ATOM 667 OE1 GLU A 655 -0.028 0.840 -6.609 1.00 0.00 O ATOM 668 OE2 GLU A 655 0.349 3.001 -6.705 1.00 0.00 O ATOM 0 H GLU A 655 -4.193 2.701 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 655 -2.066 0.660 -2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.266 1.243 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.354 2.952 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.035 3.079 -4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.108 1.346 -4.006 1.00 0.00 H new ATOM 675 N GLN A 656 -0.631 2.313 -1.496 1.00 0.00 N ATOM 676 CA GLN A 656 0.129 3.074 -0.517 1.00 0.00 C ATOM 677 C GLN A 656 1.612 2.830 -0.770 1.00 0.00 C ATOM 678 O GLN A 656 2.017 1.825 -1.360 1.00 0.00 O ATOM 679 CB GLN A 656 -0.209 2.660 0.929 1.00 0.00 C ATOM 680 CG GLN A 656 -1.502 3.279 1.464 1.00 0.00 C ATOM 681 CD GLN A 656 -1.502 4.805 1.528 1.00 0.00 C ATOM 682 OE1 GLN A 656 -1.075 5.393 2.521 1.00 0.00 O ATOM 683 NE2 GLN A 656 -1.984 5.467 0.491 1.00 0.00 N ATOM 0 H GLN A 656 -0.142 1.464 -1.781 1.00 0.00 H new ATOM 0 HA GLN A 656 -0.127 4.128 -0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.291 1.574 0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.616 2.946 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -2.331 2.956 0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -1.689 2.887 2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -2.333 4.958 -0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -2.007 6.487 0.503 1.00 0.00 H new ATOM 692 N ALA A 657 2.429 3.740 -0.249 1.00 0.00 N ATOM 693 CA ALA A 657 3.879 3.718 -0.354 1.00 0.00 C ATOM 694 C ALA A 657 4.546 4.107 0.961 1.00 0.00 C ATOM 695 O ALA A 657 3.913 4.757 1.793 1.00 0.00 O ATOM 696 CB ALA A 657 4.297 4.689 -1.457 1.00 0.00 C ATOM 0 H ALA A 657 2.083 4.542 0.277 1.00 0.00 H new ATOM 0 HA ALA A 657 4.200 2.704 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.383 4.687 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 657 3.850 4.380 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 657 3.957 5.694 -1.206 1.00 0.00 H new ATOM 702 N GLU A 658 5.819 3.754 1.143 1.00 0.00 N ATOM 703 CA GLU A 658 6.619 4.061 2.326 1.00 0.00 C ATOM 704 C GLU A 658 8.094 4.182 1.925 1.00 0.00 C ATOM 705 O GLU A 658 8.626 3.330 1.214 1.00 0.00 O ATOM 706 CB GLU A 658 6.463 2.988 3.432 1.00 0.00 C ATOM 707 CG GLU A 658 7.424 3.314 4.595 1.00 0.00 C ATOM 708 CD GLU A 658 7.266 2.521 5.892 1.00 0.00 C ATOM 709 OE1 GLU A 658 7.202 1.270 5.875 1.00 0.00 O ATOM 710 OE2 GLU A 658 7.414 3.140 6.972 1.00 0.00 O ATOM 0 H GLU A 658 6.340 3.226 0.443 1.00 0.00 H new ATOM 0 HA GLU A 658 6.260 5.005 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.434 2.965 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.682 1.999 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 658 8.444 3.172 4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 658 7.315 4.372 4.834 1.00 0.00 H new ATOM 717 N LYS A 659 8.757 5.255 2.367 1.00 0.00 N ATOM 718 CA LYS A 659 10.179 5.503 2.126 1.00 0.00 C ATOM 719 C LYS A 659 10.987 4.451 2.900 1.00 0.00 C ATOM 720 O LYS A 659 10.665 4.155 4.051 1.00 0.00 O ATOM 721 CB LYS A 659 10.553 6.940 2.557 1.00 0.00 C ATOM 722 CG LYS A 659 10.608 7.148 4.088 1.00 0.00 C ATOM 723 CD LYS A 659 10.620 8.615 4.537 1.00 0.00 C ATOM 724 CE LYS A 659 9.235 9.229 4.324 1.00 0.00 C ATOM 725 NZ LYS A 659 9.071 10.563 4.932 1.00 0.00 N ATOM 0 H LYS A 659 8.309 5.990 2.914 1.00 0.00 H new ATOM 0 HA LYS A 659 10.407 5.419 1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 659 11.524 7.194 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 659 9.828 7.635 2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 659 9.749 6.651 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 659 11.500 6.657 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 659 10.901 8.682 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 659 11.367 9.173 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 659 9.042 9.302 3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 659 8.483 8.557 4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 8.110 10.913 4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 9.223 10.498 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 9.764 11.220 4.520 1.00 0.00 H new ATOM 739 N CYS A 660 12.030 3.878 2.314 1.00 0.00 N ATOM 740 CA CYS A 660 12.863 2.886 2.979 1.00 0.00 C ATOM 741 C CYS A 660 14.247 2.986 2.367 1.00 0.00 C ATOM 742 O CYS A 660 14.436 2.685 1.190 1.00 0.00 O ATOM 743 CB CYS A 660 12.294 1.463 2.887 1.00 0.00 C ATOM 744 SG CYS A 660 11.666 0.919 1.283 1.00 0.00 S ATOM 0 H CYS A 660 12.323 4.089 1.360 1.00 0.00 H new ATOM 0 HA CYS A 660 12.898 3.095 4.048 1.00 0.00 H new ATOM 0 HB2 CYS A 660 13.075 0.768 3.196 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.485 1.377 3.612 1.00 0.00 H new ATOM 749 N MET A 661 15.187 3.527 3.136 1.00 0.00 N ATOM 750 CA MET A 661 16.557 3.681 2.698 1.00 0.00 C ATOM 751 C MET A 661 17.328 2.458 3.151 1.00 0.00 C ATOM 752 O MET A 661 17.614 2.317 4.342 1.00 0.00 O ATOM 753 CB MET A 661 17.236 4.979 3.175 1.00 0.00 C ATOM 754 CG MET A 661 16.798 5.592 4.511 1.00 0.00 C ATOM 755 SD MET A 661 15.087 6.204 4.677 1.00 0.00 S ATOM 756 CE MET A 661 14.899 7.205 3.177 1.00 0.00 C ATOM 0 H MET A 661 15.013 3.869 4.081 1.00 0.00 H new ATOM 0 HA MET A 661 16.554 3.766 1.611 1.00 0.00 H new ATOM 0 HB2 MET A 661 18.308 4.789 3.234 1.00 0.00 H new ATOM 0 HB3 MET A 661 17.088 5.733 2.401 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.957 4.843 5.286 1.00 0.00 H new ATOM 0 HG3 MET A 661 17.469 6.423 4.729 1.00 0.00 H new ATOM 0 HE1 MET A 661 13.956 7.751 3.219 1.00 0.00 H new ATOM 0 HE2 MET A 661 15.725 7.913 3.106 1.00 0.00 H new ATOM 0 HE3 MET A 661 14.902 6.554 2.303 1.00 0.00 H new ATOM 766 N LEU A 662 17.626 1.566 2.211 1.00 0.00 N ATOM 767 CA LEU A 662 18.392 0.349 2.457 1.00 0.00 C ATOM 768 C LEU A 662 19.826 0.756 2.831 1.00 0.00 C ATOM 769 O LEU A 662 20.205 1.919 2.625 1.00 0.00 O ATOM 770 CB LEU A 662 18.397 -0.501 1.169 1.00 0.00 C ATOM 771 CG LEU A 662 17.261 -1.520 0.969 1.00 0.00 C ATOM 772 CD1 LEU A 662 17.521 -2.797 1.773 1.00 0.00 C ATOM 773 CD2 LEU A 662 15.885 -0.942 1.295 1.00 0.00 C ATOM 0 H LEU A 662 17.336 1.671 1.239 1.00 0.00 H new ATOM 0 HA LEU A 662 17.954 -0.235 3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.386 0.181 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.342 -1.043 1.131 1.00 0.00 H new ATOM 0 HG LEU A 662 17.252 -1.772 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 662 16.703 -3.500 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 662 18.457 -3.249 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 662 17.588 -2.552 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.123 -1.705 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 662 15.863 -0.619 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 662 15.686 -0.089 0.646 1.00 0.00 H new ATOM 785 N PRO A 663 20.641 -0.146 3.399 1.00 0.00 N ATOM 786 CA PRO A 663 22.017 0.174 3.751 1.00 0.00 C ATOM 787 C PRO A 663 22.801 0.444 2.460 1.00 0.00 C ATOM 788 O PRO A 663 22.264 0.356 1.359 1.00 0.00 O ATOM 789 CB PRO A 663 22.534 -1.041 4.528 1.00 0.00 C ATOM 790 CG PRO A 663 21.682 -2.196 4.005 1.00 0.00 C ATOM 791 CD PRO A 663 20.342 -1.536 3.694 1.00 0.00 C ATOM 0 HA PRO A 663 22.120 1.068 4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.595 -1.211 4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.413 -0.909 5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.122 -2.650 3.117 1.00 0.00 H new ATOM 0 HG3 PRO A 663 21.577 -2.987 4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 663 19.856 -2.019 2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.661 -1.618 4.541 1.00 0.00 H new ATOM 799 N GLU A 664 24.045 0.876 2.566 1.00 0.00 N ATOM 800 CA GLU A 664 24.869 1.136 1.393 1.00 0.00 C ATOM 801 C GLU A 664 25.188 -0.195 0.700 1.00 0.00 C ATOM 802 O GLU A 664 25.223 -1.243 1.351 1.00 0.00 O ATOM 803 CB GLU A 664 26.163 1.868 1.790 1.00 0.00 C ATOM 804 CG GLU A 664 26.999 1.150 2.865 1.00 0.00 C ATOM 805 CD GLU A 664 26.466 1.409 4.281 1.00 0.00 C ATOM 806 OE1 GLU A 664 26.772 2.468 4.875 1.00 0.00 O ATOM 807 OE2 GLU A 664 25.686 0.586 4.817 1.00 0.00 O ATOM 0 H GLU A 664 24.511 1.056 3.455 1.00 0.00 H new ATOM 0 HA GLU A 664 24.324 1.780 0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.777 2.002 0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 664 25.906 2.863 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.998 0.078 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 664 28.034 1.484 2.801 1.00 0.00 H new ATOM 814 N CYS A 665 25.350 -0.177 -0.622 1.00 0.00 N ATOM 815 CA CYS A 665 25.707 -1.387 -1.363 1.00 0.00 C ATOM 816 C CYS A 665 27.207 -1.634 -1.156 1.00 0.00 C ATOM 817 O CYS A 665 27.944 -0.663 -0.943 1.00 0.00 O ATOM 818 CB CYS A 665 25.476 -1.242 -2.873 1.00 0.00 C ATOM 819 SG CYS A 665 23.835 -1.702 -3.471 1.00 0.00 S ATOM 0 H CYS A 665 25.241 0.656 -1.200 1.00 0.00 H new ATOM 0 HA CYS A 665 25.082 -2.201 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 665 25.665 -0.205 -3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 665 26.215 -1.851 -3.394 1.00 0.00 H new ATOM 824 N PRO A 666 27.668 -2.891 -1.263 1.00 0.00 N ATOM 825 CA PRO A 666 29.075 -3.220 -1.113 1.00 0.00 C ATOM 826 C PRO A 666 29.815 -2.690 -2.341 1.00 0.00 C ATOM 827 O PRO A 666 29.321 -2.904 -3.473 1.00 0.00 O ATOM 828 CB PRO A 666 29.130 -4.745 -0.984 1.00 0.00 C ATOM 829 CG PRO A 666 27.895 -5.214 -1.754 1.00 0.00 C ATOM 830 CD PRO A 666 26.885 -4.094 -1.516 1.00 0.00 C ATOM 0 HA PRO A 666 29.551 -2.772 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 666 30.047 -5.151 -1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 666 29.097 -5.061 0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 666 28.108 -5.344 -2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 666 27.529 -6.171 -1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 666 26.237 -3.962 -2.383 1.00 0.00 H new ATOM 0 HD3 PRO A 666 26.240 -4.325 -0.668 1.00 0.00 H new