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 170:sc= 1.02 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 -44:sc= 0.748 USER MOD Single : A 629 THR OG1 : rot 69:sc= 0.135 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 MET CE :methyl 155:sc= -1.1 (180deg=-1.77) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= -0.722 K(o=-0.72,f=-1.6) USER MOD Single : A 640 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 642 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00252) USER MOD Single : A 643 SER OG : rot 180:sc= 0 USER MOD Single : A 651 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 656 GLN : amide:sc= -0.427 K(o=-0.43,f=-2.6!) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl 170:sc= 0 (180deg=-0.111) USER MOD ----------------------------------------------------------------- ATOM 38 N PRO A 614 -21.314 2.987 3.529 1.00 0.00 N ATOM 39 CA PRO A 614 -21.232 2.441 2.186 1.00 0.00 C ATOM 40 C PRO A 614 -19.820 2.005 1.765 1.00 0.00 C ATOM 41 O PRO A 614 -19.686 1.148 0.892 1.00 0.00 O ATOM 42 CB PRO A 614 -21.786 3.529 1.263 1.00 0.00 C ATOM 43 CG PRO A 614 -21.555 4.821 2.042 1.00 0.00 C ATOM 44 CD PRO A 614 -21.730 4.387 3.489 1.00 0.00 C ATOM 0 HA PRO A 614 -21.808 1.517 2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -21.268 3.542 0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -22.844 3.373 1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -20.560 5.229 1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -22.272 5.593 1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -21.122 4.996 4.158 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -22.766 4.498 3.810 1.00 0.00 H new ATOM 52 N CYS A 615 -18.772 2.573 2.360 1.00 0.00 N ATOM 53 CA CYS A 615 -17.386 2.238 2.031 1.00 0.00 C ATOM 54 C CYS A 615 -17.076 0.843 2.560 1.00 0.00 C ATOM 55 O CYS A 615 -17.309 0.566 3.741 1.00 0.00 O ATOM 56 CB CYS A 615 -16.415 3.272 2.612 1.00 0.00 C ATOM 57 SG CYS A 615 -17.058 4.962 2.542 1.00 0.00 S ATOM 0 H CYS A 615 -18.860 3.282 3.088 1.00 0.00 H new ATOM 0 HA CYS A 615 -17.261 2.252 0.948 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -16.196 3.015 3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -15.473 3.225 2.066 1.00 0.00 H new ATOM 62 N LEU A 616 -16.563 -0.035 1.702 1.00 0.00 N ATOM 63 CA LEU A 616 -16.218 -1.404 2.038 1.00 0.00 C ATOM 64 C LEU A 616 -14.955 -1.770 1.269 1.00 0.00 C ATOM 65 O LEU A 616 -15.004 -1.973 0.053 1.00 0.00 O ATOM 66 CB LEU A 616 -17.429 -2.291 1.701 1.00 0.00 C ATOM 67 CG LEU A 616 -17.378 -3.720 2.256 1.00 0.00 C ATOM 68 CD1 LEU A 616 -16.313 -4.578 1.579 1.00 0.00 C ATOM 69 CD2 LEU A 616 -17.219 -3.707 3.783 1.00 0.00 C ATOM 0 H LEU A 616 -16.372 0.198 0.727 1.00 0.00 H new ATOM 0 HA LEU A 616 -16.001 -1.544 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.329 -1.805 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.527 -2.345 0.617 1.00 0.00 H new ATOM 0 HG LEU A 616 -18.333 -4.190 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -16.323 -5.578 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -16.522 -4.642 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -15.332 -4.127 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -17.185 -4.731 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -16.294 -3.194 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -18.064 -3.186 4.232 1.00 0.00 H new ATOM 81 N LEU A 617 -13.829 -1.857 1.975 1.00 0.00 N ATOM 82 CA LEU A 617 -12.523 -2.166 1.409 1.00 0.00 C ATOM 83 C LEU A 617 -11.870 -3.325 2.155 1.00 0.00 C ATOM 84 O LEU A 617 -12.127 -3.550 3.341 1.00 0.00 O ATOM 85 CB LEU A 617 -11.613 -0.934 1.554 1.00 0.00 C ATOM 86 CG LEU A 617 -12.199 0.404 1.059 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.338 1.528 1.598 1.00 0.00 C ATOM 88 CD2 LEU A 617 -12.281 0.520 -0.465 1.00 0.00 C ATOM 0 H LEU A 617 -13.802 -1.710 2.984 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.655 -2.439 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -11.349 -0.825 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.688 -1.125 1.011 1.00 0.00 H new ATOM 0 HG LEU A 617 -13.224 0.461 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -11.735 2.485 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -11.342 1.499 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.317 1.410 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -12.703 1.488 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -11.282 0.429 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -12.916 -0.274 -0.857 1.00 0.00 H new ATOM 100 N SER A 618 -10.979 -4.036 1.477 1.00 0.00 N ATOM 101 CA SER A 618 -10.233 -5.166 2.021 1.00 0.00 C ATOM 102 C SER A 618 -9.118 -4.645 2.941 1.00 0.00 C ATOM 103 O SER A 618 -8.791 -3.452 2.877 1.00 0.00 O ATOM 104 CB SER A 618 -9.568 -5.897 0.840 1.00 0.00 C ATOM 105 OG SER A 618 -10.444 -5.962 -0.265 1.00 0.00 O ATOM 0 H SER A 618 -10.747 -3.837 0.504 1.00 0.00 H new ATOM 0 HA SER A 618 -10.899 -5.824 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 618 -8.653 -5.379 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 618 -9.283 -6.904 1.144 1.00 0.00 H new ATOM 0 HG SER A 618 -9.956 -6.286 -1.051 1.00 0.00 H new ATOM 111 N PRO A 619 -8.526 -5.476 3.814 1.00 0.00 N ATOM 112 CA PRO A 619 -7.418 -5.026 4.647 1.00 0.00 C ATOM 113 C PRO A 619 -6.200 -4.907 3.720 1.00 0.00 C ATOM 114 O PRO A 619 -6.243 -5.329 2.557 1.00 0.00 O ATOM 115 CB PRO A 619 -7.214 -6.136 5.681 1.00 0.00 C ATOM 116 CG PRO A 619 -7.645 -7.385 4.916 1.00 0.00 C ATOM 117 CD PRO A 619 -8.790 -6.891 4.032 1.00 0.00 C ATOM 0 HA PRO A 619 -7.584 -4.071 5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -6.176 -6.199 6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.821 -5.977 6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.827 -7.793 4.322 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.973 -8.175 5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.821 -7.435 3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.754 -7.041 4.518 1.00 0.00 H new ATOM 125 N TRP A 620 -5.130 -4.275 4.184 1.00 0.00 N ATOM 126 CA TRP A 620 -3.940 -4.168 3.366 1.00 0.00 C ATOM 127 C TRP A 620 -3.210 -5.506 3.435 1.00 0.00 C ATOM 128 O TRP A 620 -3.460 -6.347 4.309 1.00 0.00 O ATOM 129 CB TRP A 620 -3.031 -3.048 3.864 1.00 0.00 C ATOM 130 CG TRP A 620 -3.584 -1.671 3.708 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.252 -0.964 4.644 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.530 -0.823 2.528 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.641 0.247 4.108 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.229 0.386 2.803 1.00 0.00 C ATOM 135 CE3 TRP A 620 -2.959 -0.961 1.248 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.394 1.394 1.841 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.121 0.039 0.277 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.866 1.197 0.556 1.00 0.00 C ATOM 0 H TRP A 620 -5.065 -3.839 5.104 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.217 -3.930 2.339 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.813 -3.219 4.918 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -2.083 -3.105 3.330 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -4.451 -1.294 5.653 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -5.170 0.954 4.618 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.389 -1.847 1.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.918 2.306 2.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.668 -0.083 -0.696 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -4.032 1.933 -0.216 1.00 0.00 H new ATOM 149 N SER A 621 -2.324 -5.720 2.476 1.00 0.00 N ATOM 150 CA SER A 621 -1.504 -6.903 2.380 1.00 0.00 C ATOM 151 C SER A 621 -0.143 -6.576 3.008 1.00 0.00 C ATOM 152 O SER A 621 0.107 -5.461 3.490 1.00 0.00 O ATOM 153 CB SER A 621 -1.357 -7.296 0.904 1.00 0.00 C ATOM 154 OG SER A 621 -2.612 -7.390 0.238 1.00 0.00 O ATOM 0 H SER A 621 -2.155 -5.052 1.724 1.00 0.00 H new ATOM 0 HA SER A 621 -1.953 -7.745 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 621 -0.734 -6.560 0.396 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.840 -8.253 0.836 1.00 0.00 H new ATOM 0 HG SER A 621 -2.467 -7.641 -0.698 1.00 0.00 H new ATOM 160 N GLU A 622 0.720 -7.585 3.064 1.00 0.00 N ATOM 161 CA GLU A 622 2.063 -7.440 3.586 1.00 0.00 C ATOM 162 C GLU A 622 2.846 -6.675 2.521 1.00 0.00 C ATOM 163 O GLU A 622 2.707 -6.974 1.330 1.00 0.00 O ATOM 164 CB GLU A 622 2.679 -8.831 3.785 1.00 0.00 C ATOM 165 CG GLU A 622 2.040 -9.579 4.965 1.00 0.00 C ATOM 166 CD GLU A 622 1.565 -10.980 4.593 1.00 0.00 C ATOM 167 OE1 GLU A 622 2.356 -11.788 4.062 1.00 0.00 O ATOM 168 OE2 GLU A 622 0.386 -11.314 4.865 1.00 0.00 O ATOM 0 H GLU A 622 0.501 -8.529 2.745 1.00 0.00 H new ATOM 0 HA GLU A 622 2.077 -6.918 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 622 2.554 -9.417 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 622 3.751 -8.732 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 622 2.763 -9.650 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 622 1.195 -9.002 5.340 1.00 0.00 H new ATOM 175 N TRP A 623 3.663 -5.708 2.934 1.00 0.00 N ATOM 176 CA TRP A 623 4.496 -4.903 2.063 1.00 0.00 C ATOM 177 C TRP A 623 5.394 -5.750 1.164 1.00 0.00 C ATOM 178 O TRP A 623 5.729 -6.891 1.491 1.00 0.00 O ATOM 179 CB TRP A 623 5.374 -4.026 2.956 1.00 0.00 C ATOM 180 CG TRP A 623 4.644 -2.871 3.549 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.982 -2.815 4.726 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.452 -1.584 2.920 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.417 -1.562 4.874 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.646 -0.770 3.767 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.882 -1.049 1.695 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.253 0.522 3.387 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.523 0.249 1.325 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.678 1.011 2.140 1.00 0.00 C ATOM 0 H TRP A 623 3.762 -5.460 3.919 1.00 0.00 H new ATOM 0 HA TRP A 623 3.852 -4.315 1.409 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.788 -4.636 3.759 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.216 -3.654 2.373 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.906 -3.623 5.439 1.00 0.00 H new ATOM 0 HE1 TRP A 623 2.896 -1.261 5.698 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.494 -1.645 1.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.638 1.127 4.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.900 0.668 0.404 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.349 1.984 1.807 1.00 0.00 H new ATOM 199 N SER A 624 5.798 -5.173 0.035 1.00 0.00 N ATOM 200 CA SER A 624 6.673 -5.814 -0.930 1.00 0.00 C ATOM 201 C SER A 624 7.981 -5.014 -0.973 1.00 0.00 C ATOM 202 O SER A 624 8.019 -3.846 -0.562 1.00 0.00 O ATOM 203 CB SER A 624 5.925 -5.992 -2.257 1.00 0.00 C ATOM 204 OG SER A 624 6.583 -6.867 -3.155 1.00 0.00 O ATOM 0 H SER A 624 5.519 -4.230 -0.235 1.00 0.00 H new ATOM 0 HA SER A 624 6.958 -6.830 -0.656 1.00 0.00 H new ATOM 0 HB2 SER A 624 4.925 -6.375 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 624 5.804 -5.018 -2.732 1.00 0.00 H new ATOM 0 HG SER A 624 6.060 -6.943 -3.980 1.00 0.00 H new ATOM 210 N ASP A 625 9.035 -5.652 -1.472 1.00 0.00 N ATOM 211 CA ASP A 625 10.402 -5.154 -1.595 1.00 0.00 C ATOM 212 C ASP A 625 10.508 -3.781 -2.245 1.00 0.00 C ATOM 213 O ASP A 625 9.793 -3.467 -3.200 1.00 0.00 O ATOM 214 CB ASP A 625 11.285 -6.179 -2.324 1.00 0.00 C ATOM 215 CG ASP A 625 11.376 -7.494 -1.549 1.00 0.00 C ATOM 216 OD1 ASP A 625 11.855 -7.460 -0.390 1.00 0.00 O ATOM 217 OD2 ASP A 625 10.898 -8.524 -2.075 1.00 0.00 O ATOM 0 H ASP A 625 8.950 -6.604 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 625 10.766 -5.021 -0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 625 10.879 -6.369 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 625 12.285 -5.767 -2.461 1.00 0.00 H new ATOM 222 N CYS A 626 11.427 -2.966 -1.722 1.00 0.00 N ATOM 223 CA CYS A 626 11.691 -1.618 -2.201 1.00 0.00 C ATOM 224 C CYS A 626 12.304 -1.604 -3.599 1.00 0.00 C ATOM 225 O CYS A 626 13.055 -2.500 -3.988 1.00 0.00 O ATOM 226 CB CYS A 626 12.654 -0.911 -1.242 1.00 0.00 C ATOM 227 SG CYS A 626 11.891 -0.300 0.278 1.00 0.00 S ATOM 0 H CYS A 626 12.019 -3.236 -0.936 1.00 0.00 H new ATOM 0 HA CYS A 626 10.732 -1.103 -2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.455 -1.601 -0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 626 13.115 -0.072 -1.764 1.00 0.00 H new ATOM 232 N SER A 627 12.096 -0.475 -4.274 1.00 0.00 N ATOM 233 CA SER A 627 12.544 -0.114 -5.611 1.00 0.00 C ATOM 234 C SER A 627 14.058 0.172 -5.670 1.00 0.00 C ATOM 235 O SER A 627 14.520 0.890 -6.558 1.00 0.00 O ATOM 236 CB SER A 627 11.721 1.117 -6.018 1.00 0.00 C ATOM 237 OG SER A 627 11.998 1.523 -7.336 1.00 0.00 O ATOM 0 H SER A 627 11.556 0.282 -3.854 1.00 0.00 H new ATOM 0 HA SER A 627 12.389 -0.943 -6.301 1.00 0.00 H new ATOM 0 HB2 SER A 627 10.659 0.890 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 627 11.934 1.938 -5.333 1.00 0.00 H new ATOM 0 HG SER A 627 12.966 1.503 -7.488 1.00 0.00 H new ATOM 243 N VAL A 628 14.830 -0.260 -4.676 1.00 0.00 N ATOM 244 CA VAL A 628 16.264 -0.084 -4.595 1.00 0.00 C ATOM 245 C VAL A 628 16.798 -1.254 -3.789 1.00 0.00 C ATOM 246 O VAL A 628 16.068 -1.825 -2.971 1.00 0.00 O ATOM 247 CB VAL A 628 16.593 1.264 -3.926 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.532 1.229 -2.399 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.953 1.772 -4.377 1.00 0.00 C ATOM 0 H VAL A 628 14.450 -0.763 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 628 16.726 -0.065 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 628 15.812 1.951 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 628 16.776 2.215 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.528 0.948 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.249 0.499 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 628 18.165 2.725 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.721 1.048 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.950 1.908 -5.458 1.00 0.00 H new ATOM 259 N THR A 629 18.061 -1.594 -3.990 1.00 0.00 N ATOM 260 CA THR A 629 18.702 -2.666 -3.251 1.00 0.00 C ATOM 261 C THR A 629 19.593 -2.074 -2.167 1.00 0.00 C ATOM 262 O THR A 629 19.775 -2.720 -1.131 1.00 0.00 O ATOM 263 CB THR A 629 19.504 -3.566 -4.199 1.00 0.00 C ATOM 264 OG1 THR A 629 20.259 -2.801 -5.122 1.00 0.00 O ATOM 265 CG2 THR A 629 18.576 -4.474 -4.998 1.00 0.00 C ATOM 0 H THR A 629 18.668 -1.135 -4.669 1.00 0.00 H new ATOM 0 HA THR A 629 17.940 -3.284 -2.776 1.00 0.00 H new ATOM 0 HB THR A 629 20.173 -4.160 -3.576 1.00 0.00 H new ATOM 0 HG1 THR A 629 20.980 -2.336 -4.649 1.00 0.00 H new ATOM 0 HG21 THR A 629 19.167 -5.103 -5.664 1.00 0.00 H new ATOM 0 HG22 THR A 629 18.006 -5.104 -4.315 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.891 -3.865 -5.588 1.00 0.00 H new ATOM 273 N CYS A 630 20.088 -0.848 -2.366 1.00 0.00 N ATOM 274 CA CYS A 630 20.956 -0.148 -1.444 1.00 0.00 C ATOM 275 C CYS A 630 20.703 1.356 -1.553 1.00 0.00 C ATOM 276 O CYS A 630 20.478 1.883 -2.641 1.00 0.00 O ATOM 277 CB CYS A 630 22.432 -0.483 -1.712 1.00 0.00 C ATOM 278 SG CYS A 630 22.865 -1.059 -3.374 1.00 0.00 S ATOM 0 H CYS A 630 19.882 -0.307 -3.205 1.00 0.00 H new ATOM 0 HA CYS A 630 20.732 -0.472 -0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 630 23.024 0.407 -1.499 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.739 -1.248 -0.999 1.00 0.00 H new ATOM 283 N GLY A 631 20.746 2.053 -0.426 1.00 0.00 N ATOM 284 CA GLY A 631 20.541 3.478 -0.323 1.00 0.00 C ATOM 285 C GLY A 631 19.070 3.878 -0.359 1.00 0.00 C ATOM 286 O GLY A 631 18.159 3.061 -0.211 1.00 0.00 O ATOM 0 H GLY A 631 20.933 1.615 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 631 20.985 3.836 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.066 3.974 -1.140 1.00 0.00 H new ATOM 290 N LYS A 632 18.843 5.182 -0.535 1.00 0.00 N ATOM 291 CA LYS A 632 17.526 5.808 -0.613 1.00 0.00 C ATOM 292 C LYS A 632 16.611 5.066 -1.593 1.00 0.00 C ATOM 293 O LYS A 632 16.989 4.842 -2.745 1.00 0.00 O ATOM 294 CB LYS A 632 17.678 7.304 -0.938 1.00 0.00 C ATOM 295 CG LYS A 632 18.151 7.693 -2.356 1.00 0.00 C ATOM 296 CD LYS A 632 19.598 7.363 -2.752 1.00 0.00 C ATOM 297 CE LYS A 632 19.733 6.058 -3.553 1.00 0.00 C ATOM 298 NZ LYS A 632 21.054 5.962 -4.207 1.00 0.00 N ATOM 0 H LYS A 632 19.603 5.855 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 632 17.035 5.736 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 632 16.715 7.783 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 632 18.380 7.732 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 632 17.490 7.207 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 632 18.011 8.768 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 632 20.001 8.186 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 632 20.206 7.291 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 632 19.591 5.205 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 632 18.947 6.009 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 21.114 5.071 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 21.178 6.763 -4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 21.802 5.984 -3.484 1.00 0.00 H new ATOM 312 N GLY A 633 15.398 4.728 -1.158 1.00 0.00 N ATOM 313 CA GLY A 633 14.424 4.002 -1.954 1.00 0.00 C ATOM 314 C GLY A 633 12.995 4.201 -1.464 1.00 0.00 C ATOM 315 O GLY A 633 12.725 5.014 -0.575 1.00 0.00 O ATOM 0 H GLY A 633 15.063 4.958 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.496 4.326 -2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.665 2.939 -1.935 1.00 0.00 H new ATOM 319 N MET A 634 12.051 3.475 -2.059 1.00 0.00 N ATOM 320 CA MET A 634 10.637 3.511 -1.706 1.00 0.00 C ATOM 321 C MET A 634 9.992 2.184 -2.079 1.00 0.00 C ATOM 322 O MET A 634 10.442 1.529 -3.025 1.00 0.00 O ATOM 323 CB MET A 634 9.902 4.616 -2.484 1.00 0.00 C ATOM 324 CG MET A 634 10.165 6.008 -1.903 1.00 0.00 C ATOM 325 SD MET A 634 8.961 7.307 -2.280 1.00 0.00 S ATOM 326 CE MET A 634 7.412 6.526 -1.755 1.00 0.00 C ATOM 0 H MET A 634 12.256 2.828 -2.821 1.00 0.00 H new ATOM 0 HA MET A 634 10.563 3.703 -0.636 1.00 0.00 H new ATOM 0 HB2 MET A 634 10.218 4.594 -3.527 1.00 0.00 H new ATOM 0 HB3 MET A 634 8.831 4.416 -2.471 1.00 0.00 H new ATOM 0 HG2 MET A 634 10.231 5.914 -0.819 1.00 0.00 H new ATOM 0 HG3 MET A 634 11.142 6.341 -2.254 1.00 0.00 H new ATOM 0 HE1 MET A 634 6.683 7.296 -1.504 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.023 5.909 -2.565 1.00 0.00 H new ATOM 0 HE3 MET A 634 7.597 5.902 -0.880 1.00 0.00 H new ATOM 336 N ARG A 635 8.939 1.801 -1.357 1.00 0.00 N ATOM 337 CA ARG A 635 8.154 0.593 -1.602 1.00 0.00 C ATOM 338 C ARG A 635 6.691 0.987 -1.636 1.00 0.00 C ATOM 339 O ARG A 635 6.334 2.070 -1.165 1.00 0.00 O ATOM 340 CB ARG A 635 8.342 -0.483 -0.522 1.00 0.00 C ATOM 341 CG ARG A 635 8.391 0.029 0.913 1.00 0.00 C ATOM 342 CD ARG A 635 8.497 -1.189 1.824 1.00 0.00 C ATOM 343 NE ARG A 635 8.544 -0.759 3.213 1.00 0.00 N ATOM 344 CZ ARG A 635 8.687 -1.554 4.279 1.00 0.00 C ATOM 345 NH1 ARG A 635 8.751 -2.882 4.169 1.00 0.00 N ATOM 346 NH2 ARG A 635 8.751 -0.969 5.464 1.00 0.00 N ATOM 0 H ARG A 635 8.599 2.340 -0.561 1.00 0.00 H new ATOM 0 HA ARG A 635 8.494 0.164 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.527 -1.202 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.266 -1.023 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 635 9.245 0.692 1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.497 0.607 1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.644 -1.849 1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 635 9.392 -1.761 1.580 1.00 0.00 H new ATOM 0 HE ARG A 635 8.460 0.242 3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 635 8.691 -3.321 3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 635 8.860 -3.458 5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 635 8.691 0.047 5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 635 8.860 -1.534 6.306 1.00 0.00 H new ATOM 360 N THR A 636 5.855 0.092 -2.141 1.00 0.00 N ATOM 361 CA THR A 636 4.420 0.254 -2.221 1.00 0.00 C ATOM 362 C THR A 636 3.753 -1.060 -1.805 1.00 0.00 C ATOM 363 O THR A 636 4.421 -2.090 -1.617 1.00 0.00 O ATOM 364 CB THR A 636 3.980 0.735 -3.615 1.00 0.00 C ATOM 365 OG1 THR A 636 4.247 -0.233 -4.597 1.00 0.00 O ATOM 366 CG2 THR A 636 4.647 2.049 -4.024 1.00 0.00 C ATOM 0 H THR A 636 6.175 -0.800 -2.519 1.00 0.00 H new ATOM 0 HA THR A 636 4.098 1.036 -1.533 1.00 0.00 H new ATOM 0 HB THR A 636 2.905 0.903 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 636 3.956 0.099 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.300 2.340 -5.015 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.389 2.827 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 636 5.729 1.917 -4.043 1.00 0.00 H new ATOM 374 N ARG A 637 2.451 -1.001 -1.553 1.00 0.00 N ATOM 375 CA ARG A 637 1.604 -2.125 -1.199 1.00 0.00 C ATOM 376 C ARG A 637 0.226 -1.718 -1.692 1.00 0.00 C ATOM 377 O ARG A 637 -0.156 -0.552 -1.548 1.00 0.00 O ATOM 378 CB ARG A 637 1.683 -2.534 0.284 1.00 0.00 C ATOM 379 CG ARG A 637 1.037 -1.590 1.305 1.00 0.00 C ATOM 380 CD ARG A 637 0.649 -2.331 2.586 1.00 0.00 C ATOM 381 NE ARG A 637 0.156 -1.394 3.598 1.00 0.00 N ATOM 382 CZ ARG A 637 -0.110 -1.703 4.866 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.014 -2.958 5.299 1.00 0.00 N ATOM 384 NH2 ARG A 637 -0.497 -0.730 5.679 1.00 0.00 N ATOM 0 H ARG A 637 1.935 -0.122 -1.593 1.00 0.00 H new ATOM 0 HA ARG A 637 1.929 -3.053 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.219 -3.515 0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.734 -2.649 0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.730 -0.783 1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.151 -1.130 0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.119 -3.072 2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.512 -2.872 2.974 1.00 0.00 H new ATOM 0 HE ARG A 637 0.004 -0.428 3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.315 -3.692 4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.192 -3.185 6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -0.584 0.224 5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.708 -0.935 6.656 1.00 0.00 H new ATOM 398 N GLN A 638 -0.536 -2.659 -2.227 1.00 0.00 N ATOM 399 CA GLN A 638 -1.852 -2.417 -2.779 1.00 0.00 C ATOM 400 C GLN A 638 -2.838 -3.476 -2.336 1.00 0.00 C ATOM 401 O GLN A 638 -2.444 -4.569 -1.928 1.00 0.00 O ATOM 402 CB GLN A 638 -1.738 -2.326 -4.307 1.00 0.00 C ATOM 403 CG GLN A 638 -1.221 -3.587 -5.034 1.00 0.00 C ATOM 404 CD GLN A 638 0.254 -3.948 -4.841 1.00 0.00 C ATOM 405 OE1 GLN A 638 1.088 -3.145 -4.449 1.00 0.00 O ATOM 406 NE2 GLN A 638 0.613 -5.192 -5.105 1.00 0.00 N ATOM 0 H GLN A 638 -0.246 -3.635 -2.289 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.241 -1.471 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.721 -2.079 -4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.076 -1.495 -4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -1.822 -4.436 -4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -1.401 -3.460 -6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -0.081 -5.864 -5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 638 1.584 -5.480 -4.981 1.00 0.00 H new ATOM 415 N ARG A 639 -4.124 -3.166 -2.390 1.00 0.00 N ATOM 416 CA ARG A 639 -5.181 -4.080 -2.000 1.00 0.00 C ATOM 417 C ARG A 639 -6.253 -4.080 -3.063 1.00 0.00 C ATOM 418 O ARG A 639 -6.671 -3.041 -3.569 1.00 0.00 O ATOM 419 CB ARG A 639 -5.754 -3.741 -0.622 1.00 0.00 C ATOM 420 CG ARG A 639 -6.177 -2.273 -0.454 1.00 0.00 C ATOM 421 CD ARG A 639 -6.996 -2.103 0.820 1.00 0.00 C ATOM 422 NE ARG A 639 -7.360 -0.697 1.009 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.541 -0.078 2.173 1.00 0.00 C ATOM 424 NH1 ARG A 639 -7.704 -0.767 3.296 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.559 1.247 2.207 1.00 0.00 N ATOM 0 H ARG A 639 -4.465 -2.260 -2.711 1.00 0.00 H new ATOM 0 HA ARG A 639 -4.762 -5.083 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.618 -4.379 -0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -5.009 -3.981 0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.294 -1.635 -0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.763 -1.955 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.897 -2.714 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.423 -2.456 1.678 1.00 0.00 H new ATOM 0 HE ARG A 639 -7.487 -0.137 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -7.692 -1.787 3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -7.842 -0.277 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.435 1.781 1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -7.697 1.733 3.093 1.00 0.00 H new ATOM 439 N MET A 640 -6.699 -5.279 -3.379 1.00 0.00 N ATOM 440 CA MET A 640 -7.734 -5.518 -4.358 1.00 0.00 C ATOM 441 C MET A 640 -9.042 -5.245 -3.611 1.00 0.00 C ATOM 442 O MET A 640 -9.267 -5.834 -2.553 1.00 0.00 O ATOM 443 CB MET A 640 -7.610 -6.960 -4.872 1.00 0.00 C ATOM 444 CG MET A 640 -6.211 -7.241 -5.461 1.00 0.00 C ATOM 445 SD MET A 640 -5.759 -8.988 -5.633 1.00 0.00 S ATOM 446 CE MET A 640 -6.731 -9.423 -7.086 1.00 0.00 C ATOM 0 H MET A 640 -6.342 -6.133 -2.951 1.00 0.00 H new ATOM 0 HA MET A 640 -7.673 -4.884 -5.243 1.00 0.00 H new ATOM 0 HB2 MET A 640 -7.807 -7.655 -4.056 1.00 0.00 H new ATOM 0 HB3 MET A 640 -8.368 -7.141 -5.634 1.00 0.00 H new ATOM 0 HG2 MET A 640 -6.151 -6.772 -6.443 1.00 0.00 H new ATOM 0 HG3 MET A 640 -5.468 -6.754 -4.829 1.00 0.00 H new ATOM 0 HE1 MET A 640 -6.569 -10.473 -7.331 1.00 0.00 H new ATOM 0 HE2 MET A 640 -7.788 -9.258 -6.879 1.00 0.00 H new ATOM 0 HE3 MET A 640 -6.425 -8.802 -7.928 1.00 0.00 H new ATOM 456 N LEU A 641 -9.882 -4.336 -4.116 1.00 0.00 N ATOM 457 CA LEU A 641 -11.174 -3.922 -3.544 1.00 0.00 C ATOM 458 C LEU A 641 -12.062 -5.119 -3.148 1.00 0.00 C ATOM 459 O LEU A 641 -11.913 -6.215 -3.691 1.00 0.00 O ATOM 460 CB LEU A 641 -11.851 -3.017 -4.590 1.00 0.00 C ATOM 461 CG LEU A 641 -13.184 -2.374 -4.176 1.00 0.00 C ATOM 462 CD1 LEU A 641 -13.091 -1.566 -2.886 1.00 0.00 C ATOM 463 CD2 LEU A 641 -13.689 -1.449 -5.283 1.00 0.00 C ATOM 0 H LEU A 641 -9.670 -3.840 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 641 -11.015 -3.382 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -11.155 -2.221 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.021 -3.605 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 641 -13.874 -3.201 -4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -14.067 -1.140 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -12.775 -2.217 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -12.365 -0.763 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -14.634 -0.999 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -12.955 -0.664 -5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -13.839 -2.024 -6.197 1.00 0.00 H new ATOM 475 N LYS A 642 -13.007 -4.923 -2.214 1.00 0.00 N ATOM 476 CA LYS A 642 -13.924 -5.968 -1.732 1.00 0.00 C ATOM 477 C LYS A 642 -15.399 -5.595 -1.872 1.00 0.00 C ATOM 478 O LYS A 642 -16.242 -6.256 -1.260 1.00 0.00 O ATOM 479 CB LYS A 642 -13.589 -6.381 -0.279 1.00 0.00 C ATOM 480 CG LYS A 642 -13.110 -7.839 -0.141 1.00 0.00 C ATOM 481 CD LYS A 642 -14.230 -8.888 -0.280 1.00 0.00 C ATOM 482 CE LYS A 642 -14.758 -9.142 -1.702 1.00 0.00 C ATOM 483 NZ LYS A 642 -13.746 -9.712 -2.617 1.00 0.00 N ATOM 0 H LYS A 642 -13.157 -4.019 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 642 -13.767 -6.828 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.817 -5.717 0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.473 -6.239 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -12.350 -8.033 -0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -12.631 -7.962 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -13.865 -9.833 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -15.068 -8.578 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -15.610 -9.820 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -15.124 -8.203 -2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -14.174 -9.873 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -12.950 -9.049 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -13.401 -10.615 -2.234 1.00 0.00 H new ATOM 497 N SER A 643 -15.723 -4.539 -2.614 1.00 0.00 N ATOM 498 CA SER A 643 -17.095 -4.092 -2.814 1.00 0.00 C ATOM 499 C SER A 643 -17.996 -5.245 -3.278 1.00 0.00 C ATOM 500 O SER A 643 -17.533 -6.213 -3.892 1.00 0.00 O ATOM 501 CB SER A 643 -17.095 -2.907 -3.775 1.00 0.00 C ATOM 502 OG SER A 643 -16.414 -3.219 -4.983 1.00 0.00 O ATOM 0 H SER A 643 -15.032 -3.965 -3.097 1.00 0.00 H new ATOM 0 HA SER A 643 -17.518 -3.757 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 643 -18.122 -2.618 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 643 -16.619 -2.050 -3.298 1.00 0.00 H new ATOM 0 HG SER A 643 -16.432 -2.441 -5.579 1.00 0.00 H new ATOM 508 N LEU A 644 -19.283 -5.152 -2.950 1.00 0.00 N ATOM 509 CA LEU A 644 -20.312 -6.139 -3.268 1.00 0.00 C ATOM 510 C LEU A 644 -21.416 -5.567 -4.151 1.00 0.00 C ATOM 511 O LEU A 644 -22.221 -6.329 -4.685 1.00 0.00 O ATOM 512 CB LEU A 644 -20.931 -6.704 -1.972 1.00 0.00 C ATOM 513 CG LEU A 644 -21.754 -5.697 -1.132 1.00 0.00 C ATOM 514 CD1 LEU A 644 -22.817 -6.419 -0.303 1.00 0.00 C ATOM 515 CD2 LEU A 644 -20.880 -4.892 -0.160 1.00 0.00 C ATOM 0 H LEU A 644 -19.652 -4.353 -2.434 1.00 0.00 H new ATOM 0 HA LEU A 644 -19.822 -6.937 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -21.575 -7.544 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -20.129 -7.100 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 644 -22.214 -5.018 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -23.382 -5.690 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -23.494 -6.956 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -22.334 -7.126 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -21.506 -4.201 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -20.379 -5.573 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -20.134 -4.330 -0.722 1.00 0.00 H new ATOM 527 N ALA A 645 -21.487 -4.244 -4.271 1.00 0.00 N ATOM 528 CA ALA A 645 -22.472 -3.537 -5.053 1.00 0.00 C ATOM 529 C ALA A 645 -21.740 -2.450 -5.825 1.00 0.00 C ATOM 530 O ALA A 645 -21.519 -2.588 -7.027 1.00 0.00 O ATOM 531 CB ALA A 645 -23.567 -2.999 -4.122 1.00 0.00 C ATOM 0 H ALA A 645 -20.830 -3.619 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 645 -22.977 -4.182 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -24.313 -2.464 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -24.043 -3.830 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -23.124 -2.320 -3.393 1.00 0.00 H new ATOM 537 N GLU A 646 -21.328 -1.395 -5.123 1.00 0.00 N ATOM 538 CA GLU A 646 -20.616 -0.244 -5.660 1.00 0.00 C ATOM 539 C GLU A 646 -19.656 0.310 -4.603 1.00 0.00 C ATOM 540 O GLU A 646 -19.653 -0.147 -3.457 1.00 0.00 O ATOM 541 CB GLU A 646 -21.628 0.840 -6.058 1.00 0.00 C ATOM 542 CG GLU A 646 -22.556 0.418 -7.205 1.00 0.00 C ATOM 543 CD GLU A 646 -23.352 1.599 -7.746 1.00 0.00 C ATOM 544 OE1 GLU A 646 -22.740 2.659 -8.010 1.00 0.00 O ATOM 545 OE2 GLU A 646 -24.592 1.477 -7.908 1.00 0.00 O ATOM 0 H GLU A 646 -21.491 -1.319 -4.119 1.00 0.00 H new ATOM 0 HA GLU A 646 -20.044 -0.548 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -22.232 1.099 -5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -21.088 1.741 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -21.965 -0.022 -8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -23.242 -0.353 -6.854 1.00 0.00 H new ATOM 552 N LEU A 647 -18.825 1.283 -4.981 1.00 0.00 N ATOM 553 CA LEU A 647 -17.864 1.940 -4.105 1.00 0.00 C ATOM 554 C LEU A 647 -17.588 3.305 -4.725 1.00 0.00 C ATOM 555 O LEU A 647 -17.275 3.371 -5.915 1.00 0.00 O ATOM 556 CB LEU A 647 -16.559 1.123 -4.020 1.00 0.00 C ATOM 557 CG LEU A 647 -15.704 1.354 -2.757 1.00 0.00 C ATOM 558 CD1 LEU A 647 -15.427 2.810 -2.380 1.00 0.00 C ATOM 559 CD2 LEU A 647 -16.309 0.667 -1.529 1.00 0.00 C ATOM 0 H LEU A 647 -18.805 1.644 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 647 -18.255 2.031 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -16.811 0.064 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -15.951 1.353 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 647 -14.749 0.914 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -14.818 2.842 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -14.895 3.302 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -16.371 3.325 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -15.678 0.853 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -17.307 1.065 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -16.373 -0.406 -1.707 1.00 0.00 H new ATOM 571 N GLY A 648 -17.680 4.377 -3.948 1.00 0.00 N ATOM 572 CA GLY A 648 -17.430 5.735 -4.417 1.00 0.00 C ATOM 573 C GLY A 648 -17.748 6.810 -3.382 1.00 0.00 C ATOM 574 O GLY A 648 -17.617 7.993 -3.695 1.00 0.00 O ATOM 0 H GLY A 648 -17.934 4.327 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -16.383 5.822 -4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -18.026 5.917 -5.311 1.00 0.00 H new ATOM 578 N ASP A 649 -18.181 6.434 -2.172 1.00 0.00 N ATOM 579 CA ASP A 649 -18.515 7.393 -1.127 1.00 0.00 C ATOM 580 C ASP A 649 -17.271 7.952 -0.446 1.00 0.00 C ATOM 581 O ASP A 649 -17.141 9.172 -0.325 1.00 0.00 O ATOM 582 CB ASP A 649 -19.455 6.774 -0.098 1.00 0.00 C ATOM 583 CG ASP A 649 -19.962 7.851 0.861 1.00 0.00 C ATOM 584 OD1 ASP A 649 -19.295 8.094 1.893 1.00 0.00 O ATOM 585 OD2 ASP A 649 -21.027 8.430 0.544 1.00 0.00 O ATOM 0 H ASP A 649 -18.307 5.460 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 649 -19.027 8.225 -1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -20.297 6.298 -0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -18.935 5.995 0.459 1.00 0.00 H new ATOM 590 N CYS A 650 -16.390 7.067 0.034 1.00 0.00 N ATOM 591 CA CYS A 650 -15.159 7.460 0.699 1.00 0.00 C ATOM 592 C CYS A 650 -14.134 7.879 -0.350 1.00 0.00 C ATOM 593 O CYS A 650 -14.245 7.565 -1.539 1.00 0.00 O ATOM 594 CB CYS A 650 -14.606 6.327 1.578 1.00 0.00 C ATOM 595 SG CYS A 650 -15.484 6.078 3.136 1.00 0.00 S ATOM 0 H CYS A 650 -16.518 6.057 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.371 8.302 1.358 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.635 5.398 1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -13.559 6.535 1.797 1.00 0.00 H new ATOM 600 N ASN A 651 -13.093 8.553 0.121 1.00 0.00 N ATOM 601 CA ASN A 651 -11.997 9.061 -0.690 1.00 0.00 C ATOM 602 C ASN A 651 -10.707 8.272 -0.431 1.00 0.00 C ATOM 603 O ASN A 651 -9.630 8.709 -0.835 1.00 0.00 O ATOM 604 CB ASN A 651 -11.840 10.562 -0.410 1.00 0.00 C ATOM 605 CG ASN A 651 -13.018 11.400 -0.907 1.00 0.00 C ATOM 606 OD1 ASN A 651 -13.635 12.149 -0.149 1.00 0.00 O ATOM 607 ND2 ASN A 651 -13.340 11.321 -2.181 1.00 0.00 N ATOM 0 H ASN A 651 -12.986 8.768 1.112 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.218 8.928 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -11.723 10.713 0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -10.925 10.918 -0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -14.107 11.884 -2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -12.822 10.697 -2.800 1.00 0.00 H new ATOM 614 N GLU A 652 -10.818 7.121 0.236 1.00 0.00 N ATOM 615 CA GLU A 652 -9.748 6.205 0.612 1.00 0.00 C ATOM 616 C GLU A 652 -8.925 5.736 -0.596 1.00 0.00 C ATOM 617 O GLU A 652 -9.344 5.887 -1.746 1.00 0.00 O ATOM 618 CB GLU A 652 -10.416 5.026 1.335 1.00 0.00 C ATOM 619 CG GLU A 652 -9.524 4.137 2.198 1.00 0.00 C ATOM 620 CD GLU A 652 -8.723 4.916 3.218 1.00 0.00 C ATOM 621 OE1 GLU A 652 -9.273 5.180 4.315 1.00 0.00 O ATOM 622 OE2 GLU A 652 -7.568 5.286 2.908 1.00 0.00 O ATOM 0 H GLU A 652 -11.728 6.783 0.549 1.00 0.00 H new ATOM 0 HA GLU A 652 -9.032 6.708 1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -11.209 5.424 1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -10.894 4.397 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -10.143 3.403 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -8.841 3.583 1.554 1.00 0.00 H new ATOM 629 N ASP A 653 -7.785 5.095 -0.334 1.00 0.00 N ATOM 630 CA ASP A 653 -6.863 4.609 -1.362 1.00 0.00 C ATOM 631 C ASP A 653 -6.767 3.087 -1.425 1.00 0.00 C ATOM 632 O ASP A 653 -7.023 2.391 -0.432 1.00 0.00 O ATOM 633 CB ASP A 653 -5.458 5.180 -1.091 1.00 0.00 C ATOM 634 CG ASP A 653 -5.348 6.691 -1.294 1.00 0.00 C ATOM 635 OD1 ASP A 653 -5.551 7.465 -0.329 1.00 0.00 O ATOM 636 OD2 ASP A 653 -4.995 7.121 -2.415 1.00 0.00 O ATOM 0 H ASP A 653 -7.471 4.895 0.616 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.258 4.946 -2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.171 4.940 -0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -4.743 4.683 -1.747 1.00 0.00 H new ATOM 641 N LEU A 654 -6.389 2.569 -2.604 1.00 0.00 N ATOM 642 CA LEU A 654 -6.206 1.147 -2.924 1.00 0.00 C ATOM 643 C LEU A 654 -4.724 0.779 -2.892 1.00 0.00 C ATOM 644 O LEU A 654 -4.408 -0.379 -2.632 1.00 0.00 O ATOM 645 CB LEU A 654 -6.772 0.819 -4.320 1.00 0.00 C ATOM 646 CG LEU A 654 -8.306 0.695 -4.367 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.817 0.944 -5.788 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.798 -0.683 -3.907 1.00 0.00 C ATOM 0 H LEU A 654 -6.192 3.168 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.745 0.568 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.460 1.596 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.332 -0.116 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.698 1.446 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -9.903 0.853 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.532 1.947 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.381 0.210 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.886 -0.717 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.379 -1.454 -4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.479 -0.859 -2.880 1.00 0.00 H new ATOM 660 N GLU A 655 -3.816 1.728 -3.125 1.00 0.00 N ATOM 661 CA GLU A 655 -2.374 1.528 -3.105 1.00 0.00 C ATOM 662 C GLU A 655 -1.764 2.634 -2.258 1.00 0.00 C ATOM 663 O GLU A 655 -2.262 3.763 -2.252 1.00 0.00 O ATOM 664 CB GLU A 655 -1.788 1.510 -4.527 1.00 0.00 C ATOM 665 CG GLU A 655 -0.244 1.517 -4.501 1.00 0.00 C ATOM 666 CD GLU A 655 0.391 1.164 -5.850 1.00 0.00 C ATOM 667 OE1 GLU A 655 0.100 0.083 -6.396 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.195 1.984 -6.361 1.00 0.00 O ATOM 0 H GLU A 655 -4.078 2.690 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 655 -2.137 0.557 -2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.140 0.625 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.148 2.377 -5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.102 2.504 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.102 0.808 -3.749 1.00 0.00 H new ATOM 675 N GLN A 656 -0.691 2.317 -1.542 1.00 0.00 N ATOM 676 CA GLN A 656 0.044 3.237 -0.699 1.00 0.00 C ATOM 677 C GLN A 656 1.531 2.996 -0.908 1.00 0.00 C ATOM 678 O GLN A 656 1.946 1.936 -1.374 1.00 0.00 O ATOM 679 CB GLN A 656 -0.340 3.052 0.774 1.00 0.00 C ATOM 680 CG GLN A 656 -1.672 3.723 1.141 1.00 0.00 C ATOM 681 CD GLN A 656 -1.702 5.252 1.116 1.00 0.00 C ATOM 682 OE1 GLN A 656 -0.831 5.931 0.572 1.00 0.00 O ATOM 683 NE2 GLN A 656 -2.738 5.825 1.708 1.00 0.00 N ATOM 0 H GLN A 656 -0.299 1.375 -1.536 1.00 0.00 H new ATOM 0 HA GLN A 656 -0.203 4.264 -0.970 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.404 1.987 0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.451 3.461 1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -2.437 3.357 0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -1.955 3.394 2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -3.452 5.250 2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -2.822 6.841 1.717 1.00 0.00 H new ATOM 692 N ALA A 657 2.319 3.994 -0.520 1.00 0.00 N ATOM 693 CA ALA A 657 3.769 4.019 -0.627 1.00 0.00 C ATOM 694 C ALA A 657 4.432 4.334 0.715 1.00 0.00 C ATOM 695 O ALA A 657 3.827 4.962 1.586 1.00 0.00 O ATOM 696 CB ALA A 657 4.159 5.044 -1.695 1.00 0.00 C ATOM 0 H ALA A 657 1.944 4.846 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 657 4.125 3.031 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.244 5.076 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 657 3.720 4.758 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 657 3.790 6.028 -1.406 1.00 0.00 H new ATOM 702 N GLU A 658 5.696 3.945 0.894 1.00 0.00 N ATOM 703 CA GLU A 658 6.454 4.167 2.123 1.00 0.00 C ATOM 704 C GLU A 658 7.934 4.343 1.782 1.00 0.00 C ATOM 705 O GLU A 658 8.478 3.634 0.928 1.00 0.00 O ATOM 706 CB GLU A 658 6.192 2.980 3.068 1.00 0.00 C ATOM 707 CG GLU A 658 6.451 3.224 4.558 1.00 0.00 C ATOM 708 CD GLU A 658 7.775 2.719 5.119 1.00 0.00 C ATOM 709 OE1 GLU A 658 8.334 1.703 4.640 1.00 0.00 O ATOM 710 OE2 GLU A 658 8.219 3.336 6.115 1.00 0.00 O ATOM 0 H GLU A 658 6.230 3.458 0.174 1.00 0.00 H new ATOM 0 HA GLU A 658 6.139 5.078 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.154 2.671 2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.813 2.144 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 658 6.392 4.297 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 658 5.643 2.759 5.123 1.00 0.00 H new ATOM 717 N LYS A 659 8.579 5.334 2.403 1.00 0.00 N ATOM 718 CA LYS A 659 9.991 5.621 2.184 1.00 0.00 C ATOM 719 C LYS A 659 10.843 4.611 2.918 1.00 0.00 C ATOM 720 O LYS A 659 10.562 4.261 4.067 1.00 0.00 O ATOM 721 CB LYS A 659 10.366 7.040 2.637 1.00 0.00 C ATOM 722 CG LYS A 659 9.971 8.066 1.573 1.00 0.00 C ATOM 723 CD LYS A 659 10.543 9.451 1.910 1.00 0.00 C ATOM 724 CE LYS A 659 10.167 10.535 0.889 1.00 0.00 C ATOM 725 NZ LYS A 659 8.804 11.068 1.100 1.00 0.00 N ATOM 0 H LYS A 659 8.131 5.959 3.073 1.00 0.00 H new ATOM 0 HA LYS A 659 10.176 5.553 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 659 9.866 7.272 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 659 11.438 7.096 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 659 10.337 7.744 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 659 8.885 8.124 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 659 10.187 9.752 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 659 11.629 9.382 1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 659 10.886 11.352 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 659 10.240 10.122 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 8.601 11.795 0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 8.112 10.296 1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 8.739 11.488 2.049 1.00 0.00 H new ATOM 739 N CYS A 660 11.927 4.196 2.279 1.00 0.00 N ATOM 740 CA CYS A 660 12.863 3.241 2.831 1.00 0.00 C ATOM 741 C CYS A 660 14.277 3.687 2.479 1.00 0.00 C ATOM 742 O CYS A 660 14.470 4.526 1.594 1.00 0.00 O ATOM 743 CB CYS A 660 12.487 1.863 2.284 1.00 0.00 C ATOM 744 SG CYS A 660 12.663 1.569 0.511 1.00 0.00 S ATOM 0 H CYS A 660 12.181 4.522 1.346 1.00 0.00 H new ATOM 0 HA CYS A 660 12.824 3.183 3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 660 13.092 1.122 2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.448 1.671 2.551 1.00 0.00 H new ATOM 749 N MET A 661 15.283 3.197 3.188 1.00 0.00 N ATOM 750 CA MET A 661 16.672 3.536 2.933 1.00 0.00 C ATOM 751 C MET A 661 17.452 2.277 3.213 1.00 0.00 C ATOM 752 O MET A 661 17.735 1.946 4.371 1.00 0.00 O ATOM 753 CB MET A 661 17.201 4.694 3.783 1.00 0.00 C ATOM 754 CG MET A 661 16.371 5.973 3.645 1.00 0.00 C ATOM 755 SD MET A 661 17.107 7.459 4.374 1.00 0.00 S ATOM 756 CE MET A 661 18.462 7.774 3.208 1.00 0.00 C ATOM 0 H MET A 661 15.155 2.547 3.963 1.00 0.00 H new ATOM 0 HA MET A 661 16.777 3.886 1.906 1.00 0.00 H new ATOM 0 HB2 MET A 661 17.217 4.390 4.830 1.00 0.00 H new ATOM 0 HB3 MET A 661 18.231 4.905 3.497 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.194 6.158 2.586 1.00 0.00 H new ATOM 0 HG3 MET A 661 15.398 5.806 4.107 1.00 0.00 H new ATOM 0 HE1 MET A 661 18.900 8.751 3.414 1.00 0.00 H new ATOM 0 HE2 MET A 661 19.225 7.003 3.320 1.00 0.00 H new ATOM 0 HE3 MET A 661 18.076 7.757 2.189 1.00 0.00 H new ATOM 766 N LEU A 662 17.693 1.525 2.151 1.00 0.00 N ATOM 767 CA LEU A 662 18.453 0.299 2.265 1.00 0.00 C ATOM 768 C LEU A 662 19.909 0.671 2.619 1.00 0.00 C ATOM 769 O LEU A 662 20.284 1.846 2.494 1.00 0.00 O ATOM 770 CB LEU A 662 18.353 -0.463 0.927 1.00 0.00 C ATOM 771 CG LEU A 662 17.114 -1.348 0.711 1.00 0.00 C ATOM 772 CD1 LEU A 662 17.043 -2.519 1.691 1.00 0.00 C ATOM 773 CD2 LEU A 662 15.797 -0.584 0.778 1.00 0.00 C ATOM 0 H LEU A 662 17.374 1.743 1.207 1.00 0.00 H new ATOM 0 HA LEU A 662 18.067 -0.352 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.391 0.268 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.238 -1.092 0.830 1.00 0.00 H new ATOM 0 HG LEU A 662 17.243 -1.729 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 662 16.148 -3.108 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 662 17.925 -3.148 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 662 17.005 -2.138 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 662 14.968 -1.273 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 662 15.696 -0.118 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 662 15.784 0.186 0.007 1.00 0.00 H new ATOM 785 N PRO A 663 20.742 -0.295 3.038 1.00 0.00 N ATOM 786 CA PRO A 663 22.135 -0.037 3.381 1.00 0.00 C ATOM 787 C PRO A 663 22.924 0.389 2.140 1.00 0.00 C ATOM 788 O PRO A 663 22.407 0.398 1.033 1.00 0.00 O ATOM 789 CB PRO A 663 22.653 -1.344 3.983 1.00 0.00 C ATOM 790 CG PRO A 663 21.773 -2.408 3.341 1.00 0.00 C ATOM 791 CD PRO A 663 20.428 -1.702 3.236 1.00 0.00 C ATOM 0 HA PRO A 663 22.246 0.783 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.706 -1.502 3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.561 -1.349 5.069 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.150 -2.711 2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 663 21.712 -3.308 3.953 1.00 0.00 H new ATOM 0 HD2 PRO A 663 19.843 -2.094 2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.836 -1.849 4.139 1.00 0.00 H new ATOM 799 N GLU A 664 24.167 0.810 2.306 1.00 0.00 N ATOM 800 CA GLU A 664 25.040 1.241 1.216 1.00 0.00 C ATOM 801 C GLU A 664 25.429 0.037 0.356 1.00 0.00 C ATOM 802 O GLU A 664 25.561 -1.080 0.864 1.00 0.00 O ATOM 803 CB GLU A 664 26.275 1.990 1.757 1.00 0.00 C ATOM 804 CG GLU A 664 27.059 1.241 2.850 1.00 0.00 C ATOM 805 CD GLU A 664 26.296 1.188 4.182 1.00 0.00 C ATOM 806 OE1 GLU A 664 25.901 2.245 4.728 1.00 0.00 O ATOM 807 OE2 GLU A 664 25.882 0.077 4.590 1.00 0.00 O ATOM 0 H GLU A 664 24.612 0.864 3.222 1.00 0.00 H new ATOM 0 HA GLU A 664 24.499 1.946 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.948 2.199 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 664 25.953 2.952 2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 664 27.268 0.226 2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 664 28.021 1.730 3.004 1.00 0.00 H new ATOM 814 N CYS A 665 25.601 0.271 -0.948 1.00 0.00 N ATOM 815 CA CYS A 665 25.969 -0.777 -1.887 1.00 0.00 C ATOM 816 C CYS A 665 27.446 -1.149 -1.706 1.00 0.00 C ATOM 817 O CYS A 665 28.284 -0.250 -1.878 1.00 0.00 O ATOM 818 CB CYS A 665 25.798 -0.317 -3.343 1.00 0.00 C ATOM 819 SG CYS A 665 24.214 0.342 -3.908 1.00 0.00 S ATOM 0 H CYS A 665 25.488 1.190 -1.375 1.00 0.00 H new ATOM 0 HA CYS A 665 25.315 -1.626 -1.686 1.00 0.00 H new ATOM 0 HB2 CYS A 665 26.552 0.448 -3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 665 26.040 -1.167 -3.981 1.00 0.00 H new ATOM 824 N PRO A 666 27.786 -2.403 -1.365 1.00 0.00 N ATOM 825 CA PRO A 666 29.170 -2.834 -1.225 1.00 0.00 C ATOM 826 C PRO A 666 29.721 -2.989 -2.646 1.00 0.00 C ATOM 827 O PRO A 666 28.982 -3.494 -3.521 1.00 0.00 O ATOM 828 CB PRO A 666 29.109 -4.171 -0.485 1.00 0.00 C ATOM 829 CG PRO A 666 27.769 -4.759 -0.931 1.00 0.00 C ATOM 830 CD PRO A 666 26.885 -3.526 -1.133 1.00 0.00 C ATOM 0 HA PRO A 666 29.811 -2.144 -0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 666 29.943 -4.819 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 666 29.149 -4.035 0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 666 27.870 -5.335 -1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 666 27.355 -5.430 -0.178 1.00 0.00 H new ATOM 0 HD2 PRO A 666 26.213 -3.665 -1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 666 26.261 -3.348 -0.257 1.00 0.00 H new