USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=9 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 -94:sc= 1.35 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 -35:sc= 0.0194 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 163:sc= -0.249 (180deg=-0.605) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.2) USER MOD Single : A 640 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 643 SER OG : rot 60:sc= 0.146 USER MOD Single : A 651 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 656 GLN : amide:sc=-0.00177 X(o=-0.0018,f=-0.021) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl -175:sc= 0 (180deg=-0.0256) USER MOD ----------------------------------------------------------------- ATOM 38 N PRO A 614 -17.249 3.006 6.778 1.00 0.00 N ATOM 39 CA PRO A 614 -16.535 3.532 5.629 1.00 0.00 C ATOM 40 C PRO A 614 -16.612 2.504 4.493 1.00 0.00 C ATOM 41 O PRO A 614 -16.981 1.342 4.702 1.00 0.00 O ATOM 42 CB PRO A 614 -15.093 3.760 6.094 1.00 0.00 C ATOM 43 CG PRO A 614 -14.920 2.771 7.241 1.00 0.00 C ATOM 44 CD PRO A 614 -16.314 2.709 7.853 1.00 0.00 C ATOM 0 HA PRO A 614 -16.956 4.465 5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -14.379 3.571 5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -14.937 4.787 6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -14.591 1.794 6.886 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -14.178 3.114 7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -16.509 1.723 8.276 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -16.414 3.430 8.665 1.00 0.00 H new ATOM 52 N CYS A 615 -16.238 2.925 3.290 1.00 0.00 N ATOM 53 CA CYS A 615 -16.255 2.086 2.104 1.00 0.00 C ATOM 54 C CYS A 615 -15.473 0.783 2.294 1.00 0.00 C ATOM 55 O CYS A 615 -14.330 0.786 2.754 1.00 0.00 O ATOM 56 CB CYS A 615 -15.731 2.882 0.917 1.00 0.00 C ATOM 57 SG CYS A 615 -14.194 3.781 1.192 1.00 0.00 S ATOM 0 H CYS A 615 -15.910 3.874 3.112 1.00 0.00 H new ATOM 0 HA CYS A 615 -17.286 1.789 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -15.585 2.198 0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -16.498 3.595 0.615 1.00 0.00 H new ATOM 62 N LEU A 616 -16.121 -0.326 1.938 1.00 0.00 N ATOM 63 CA LEU A 616 -15.653 -1.701 1.999 1.00 0.00 C ATOM 64 C LEU A 616 -14.424 -1.856 1.094 1.00 0.00 C ATOM 65 O LEU A 616 -14.541 -1.931 -0.135 1.00 0.00 O ATOM 66 CB LEU A 616 -16.827 -2.620 1.597 1.00 0.00 C ATOM 67 CG LEU A 616 -16.742 -4.092 2.029 1.00 0.00 C ATOM 68 CD1 LEU A 616 -15.419 -4.755 1.645 1.00 0.00 C ATOM 69 CD2 LEU A 616 -17.010 -4.248 3.528 1.00 0.00 C ATOM 0 H LEU A 616 -17.070 -0.275 1.568 1.00 0.00 H new ATOM 0 HA LEU A 616 -15.337 -1.982 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -17.743 -2.198 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -16.923 -2.591 0.512 1.00 0.00 H new ATOM 0 HG LEU A 616 -17.525 -4.613 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -15.422 -5.793 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -15.296 -4.722 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -14.594 -4.224 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -16.943 -5.301 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -16.271 -3.678 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -18.008 -3.876 3.760 1.00 0.00 H new ATOM 81 N LEU A 617 -13.240 -1.897 1.700 1.00 0.00 N ATOM 82 CA LEU A 617 -11.952 -2.023 1.026 1.00 0.00 C ATOM 83 C LEU A 617 -11.211 -3.202 1.632 1.00 0.00 C ATOM 84 O LEU A 617 -11.338 -3.468 2.828 1.00 0.00 O ATOM 85 CB LEU A 617 -11.129 -0.745 1.251 1.00 0.00 C ATOM 86 CG LEU A 617 -11.711 0.506 0.567 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.232 1.751 1.301 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.277 0.619 -0.894 1.00 0.00 C ATOM 0 H LEU A 617 -13.149 -1.841 2.714 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.101 -2.173 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -11.053 -0.558 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.116 -0.909 0.884 1.00 0.00 H new ATOM 0 HG LEU A 617 -12.797 0.418 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -11.643 2.638 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -11.567 1.714 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.143 1.794 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -11.712 1.516 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.190 0.679 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -11.619 -0.258 -1.444 1.00 0.00 H new ATOM 100 N SER A 618 -10.449 -3.936 0.824 1.00 0.00 N ATOM 101 CA SER A 618 -9.693 -5.070 1.344 1.00 0.00 C ATOM 102 C SER A 618 -8.530 -4.554 2.219 1.00 0.00 C ATOM 103 O SER A 618 -8.157 -3.377 2.112 1.00 0.00 O ATOM 104 CB SER A 618 -9.233 -5.950 0.174 1.00 0.00 C ATOM 105 OG SER A 618 -8.454 -5.246 -0.774 1.00 0.00 O ATOM 0 H SER A 618 -10.340 -3.769 -0.176 1.00 0.00 H new ATOM 0 HA SER A 618 -10.314 -5.695 1.986 1.00 0.00 H new ATOM 0 HB2 SER A 618 -8.653 -6.787 0.562 1.00 0.00 H new ATOM 0 HB3 SER A 618 -10.107 -6.371 -0.323 1.00 0.00 H new ATOM 0 HG SER A 618 -9.033 -4.917 -1.493 1.00 0.00 H new ATOM 111 N PRO A 619 -7.947 -5.384 3.101 1.00 0.00 N ATOM 112 CA PRO A 619 -6.836 -4.943 3.926 1.00 0.00 C ATOM 113 C PRO A 619 -5.599 -4.764 3.037 1.00 0.00 C ATOM 114 O PRO A 619 -5.504 -5.362 1.960 1.00 0.00 O ATOM 115 CB PRO A 619 -6.644 -6.048 4.972 1.00 0.00 C ATOM 116 CG PRO A 619 -7.118 -7.303 4.247 1.00 0.00 C ATOM 117 CD PRO A 619 -8.255 -6.779 3.374 1.00 0.00 C ATOM 0 HA PRO A 619 -7.012 -3.986 4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.602 -6.132 5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.230 -5.857 5.871 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.323 -7.750 3.650 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.462 -8.067 4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.330 -7.350 2.448 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.213 -6.873 3.885 1.00 0.00 H new ATOM 125 N TRP A 620 -4.653 -3.932 3.471 1.00 0.00 N ATOM 126 CA TRP A 620 -3.435 -3.712 2.711 1.00 0.00 C ATOM 127 C TRP A 620 -2.595 -4.986 2.768 1.00 0.00 C ATOM 128 O TRP A 620 -2.237 -5.437 3.864 1.00 0.00 O ATOM 129 CB TRP A 620 -2.619 -2.558 3.289 1.00 0.00 C ATOM 130 CG TRP A 620 -3.238 -1.203 3.242 1.00 0.00 C ATOM 131 CD1 TRP A 620 -3.820 -0.593 4.291 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.273 -0.242 2.148 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.257 0.658 3.913 1.00 0.00 N ATOM 134 CE2 TRP A 620 -3.922 0.942 2.608 1.00 0.00 C ATOM 135 CE3 TRP A 620 -2.790 -0.242 0.825 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.091 2.071 1.793 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -2.950 0.888 0.006 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.602 2.040 0.479 1.00 0.00 C ATOM 0 H TRP A 620 -4.711 -3.404 4.342 1.00 0.00 H new ATOM 0 HA TRP A 620 -3.704 -3.461 1.685 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.392 -2.791 4.329 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -1.669 -2.515 2.757 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -3.928 -1.019 5.278 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -4.766 1.296 4.525 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.292 -1.118 0.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.590 2.951 2.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.566 0.871 -1.003 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -3.726 2.897 -0.166 1.00 0.00 H new ATOM 149 N SER A 621 -2.265 -5.537 1.604 1.00 0.00 N ATOM 150 CA SER A 621 -1.452 -6.737 1.488 1.00 0.00 C ATOM 151 C SER A 621 -0.033 -6.457 1.993 1.00 0.00 C ATOM 152 O SER A 621 0.348 -5.299 2.170 1.00 0.00 O ATOM 153 CB SER A 621 -1.456 -7.175 0.022 1.00 0.00 C ATOM 154 OG SER A 621 -2.793 -7.346 -0.419 1.00 0.00 O ATOM 0 H SER A 621 -2.560 -5.156 0.705 1.00 0.00 H new ATOM 0 HA SER A 621 -1.859 -7.542 2.100 1.00 0.00 H new ATOM 0 HB2 SER A 621 -0.952 -6.429 -0.592 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.903 -8.107 -0.091 1.00 0.00 H new ATOM 0 HG SER A 621 -2.794 -7.625 -1.358 1.00 0.00 H new ATOM 160 N GLU A 622 0.761 -7.491 2.268 1.00 0.00 N ATOM 161 CA GLU A 622 2.134 -7.306 2.745 1.00 0.00 C ATOM 162 C GLU A 622 2.971 -6.519 1.728 1.00 0.00 C ATOM 163 O GLU A 622 2.730 -6.575 0.521 1.00 0.00 O ATOM 164 CB GLU A 622 2.781 -8.654 3.100 1.00 0.00 C ATOM 165 CG GLU A 622 2.884 -9.623 1.911 1.00 0.00 C ATOM 166 CD GLU A 622 3.282 -11.033 2.357 1.00 0.00 C ATOM 167 OE1 GLU A 622 2.675 -11.579 3.308 1.00 0.00 O ATOM 168 OE2 GLU A 622 4.234 -11.621 1.801 1.00 0.00 O ATOM 0 H GLU A 622 0.479 -8.466 2.169 1.00 0.00 H new ATOM 0 HA GLU A 622 2.098 -6.714 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 622 3.780 -8.474 3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 622 2.202 -9.127 3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 622 1.927 -9.663 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 622 3.618 -9.247 1.198 1.00 0.00 H new ATOM 175 N TRP A 623 3.925 -5.740 2.229 1.00 0.00 N ATOM 176 CA TRP A 623 4.835 -4.924 1.443 1.00 0.00 C ATOM 177 C TRP A 623 5.820 -5.803 0.682 1.00 0.00 C ATOM 178 O TRP A 623 6.350 -6.774 1.231 1.00 0.00 O ATOM 179 CB TRP A 623 5.671 -4.034 2.367 1.00 0.00 C ATOM 180 CG TRP A 623 4.942 -2.947 3.085 1.00 0.00 C ATOM 181 CD1 TRP A 623 4.406 -2.985 4.325 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.679 -1.618 2.579 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.841 -1.755 4.619 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.959 -0.876 3.559 1.00 0.00 C ATOM 185 CE3 TRP A 623 5.003 -0.977 1.373 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.534 0.445 3.323 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.628 0.353 1.164 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.869 1.052 2.098 1.00 0.00 C ATOM 0 H TRP A 623 4.089 -5.659 3.232 1.00 0.00 H new ATOM 0 HA TRP A 623 4.232 -4.330 0.756 1.00 0.00 H new ATOM 0 HB2 TRP A 623 6.152 -4.670 3.110 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.465 -3.579 1.775 1.00 0.00 H new ATOM 0 HD1 TRP A 623 4.417 -3.841 4.984 1.00 0.00 H new ATOM 0 HE1 TRP A 623 3.394 -1.527 5.507 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.543 -1.512 0.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.963 0.982 4.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.935 0.850 0.256 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.538 2.057 1.883 1.00 0.00 H new ATOM 199 N SER A 624 6.094 -5.436 -0.564 1.00 0.00 N ATOM 200 CA SER A 624 7.036 -6.163 -1.392 1.00 0.00 C ATOM 201 C SER A 624 8.447 -5.659 -1.107 1.00 0.00 C ATOM 202 O SER A 624 8.654 -4.853 -0.189 1.00 0.00 O ATOM 203 CB SER A 624 6.636 -5.971 -2.853 1.00 0.00 C ATOM 204 OG SER A 624 6.705 -7.203 -3.527 1.00 0.00 O ATOM 0 H SER A 624 5.670 -4.630 -1.023 1.00 0.00 H new ATOM 0 HA SER A 624 7.021 -7.230 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 624 5.625 -5.568 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 624 7.297 -5.247 -3.329 1.00 0.00 H new ATOM 0 HG SER A 624 6.446 -7.078 -4.464 1.00 0.00 H new ATOM 210 N ASP A 625 9.435 -6.155 -1.858 1.00 0.00 N ATOM 211 CA ASP A 625 10.809 -5.705 -1.670 1.00 0.00 C ATOM 212 C ASP A 625 10.868 -4.222 -2.033 1.00 0.00 C ATOM 213 O ASP A 625 10.013 -3.685 -2.748 1.00 0.00 O ATOM 214 CB ASP A 625 11.838 -6.494 -2.494 1.00 0.00 C ATOM 215 CG ASP A 625 13.289 -6.188 -2.073 1.00 0.00 C ATOM 216 OD1 ASP A 625 13.517 -5.648 -0.968 1.00 0.00 O ATOM 217 OD2 ASP A 625 14.220 -6.522 -2.846 1.00 0.00 O ATOM 0 H ASP A 625 9.309 -6.856 -2.588 1.00 0.00 H new ATOM 0 HA ASP A 625 11.079 -5.876 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.648 -7.561 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 625 11.712 -6.257 -3.550 1.00 0.00 H new ATOM 222 N CYS A 626 11.832 -3.538 -1.451 1.00 0.00 N ATOM 223 CA CYS A 626 12.081 -2.134 -1.634 1.00 0.00 C ATOM 224 C CYS A 626 12.541 -1.840 -3.065 1.00 0.00 C ATOM 225 O CYS A 626 13.109 -2.681 -3.769 1.00 0.00 O ATOM 226 CB CYS A 626 13.090 -1.765 -0.556 1.00 0.00 C ATOM 227 SG CYS A 626 12.294 -1.499 1.048 1.00 0.00 S ATOM 0 H CYS A 626 12.492 -3.974 -0.807 1.00 0.00 H new ATOM 0 HA CYS A 626 11.187 -1.520 -1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.832 -2.558 -0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 626 13.623 -0.861 -0.851 1.00 0.00 H new ATOM 232 N SER A 627 12.309 -0.599 -3.482 1.00 0.00 N ATOM 233 CA SER A 627 12.626 -0.063 -4.792 1.00 0.00 C ATOM 234 C SER A 627 14.136 0.091 -5.012 1.00 0.00 C ATOM 235 O SER A 627 14.555 0.474 -6.103 1.00 0.00 O ATOM 236 CB SER A 627 11.848 1.251 -4.942 1.00 0.00 C ATOM 237 OG SER A 627 11.737 1.685 -6.283 1.00 0.00 O ATOM 0 H SER A 627 11.870 0.095 -2.877 1.00 0.00 H new ATOM 0 HA SER A 627 12.320 -0.757 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 627 10.849 1.123 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 627 12.342 2.026 -4.356 1.00 0.00 H new ATOM 0 HG SER A 627 12.556 1.455 -6.770 1.00 0.00 H new ATOM 243 N VAL A 628 14.977 -0.226 -4.028 1.00 0.00 N ATOM 244 CA VAL A 628 16.424 -0.139 -4.121 1.00 0.00 C ATOM 245 C VAL A 628 17.018 -1.368 -3.441 1.00 0.00 C ATOM 246 O VAL A 628 16.375 -1.976 -2.581 1.00 0.00 O ATOM 247 CB VAL A 628 16.900 1.190 -3.483 1.00 0.00 C ATOM 248 CG1 VAL A 628 17.283 1.075 -1.995 1.00 0.00 C ATOM 249 CG2 VAL A 628 18.094 1.753 -4.252 1.00 0.00 C ATOM 0 H VAL A 628 14.655 -0.560 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 628 16.761 -0.130 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 628 16.042 1.860 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 628 17.605 2.049 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 628 16.420 0.737 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 628 18.096 0.358 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 628 18.416 2.687 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.914 1.035 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.805 1.940 -5.286 1.00 0.00 H new ATOM 259 N THR A 629 18.263 -1.683 -3.784 1.00 0.00 N ATOM 260 CA THR A 629 18.985 -2.807 -3.204 1.00 0.00 C ATOM 261 C THR A 629 19.901 -2.313 -2.082 1.00 0.00 C ATOM 262 O THR A 629 20.180 -3.050 -1.145 1.00 0.00 O ATOM 263 CB THR A 629 19.854 -3.487 -4.274 1.00 0.00 C ATOM 264 OG1 THR A 629 19.250 -3.446 -5.557 1.00 0.00 O ATOM 265 CG2 THR A 629 20.197 -4.933 -3.924 1.00 0.00 C ATOM 0 H THR A 629 18.801 -1.162 -4.476 1.00 0.00 H new ATOM 0 HA THR A 629 18.258 -3.517 -2.811 1.00 0.00 H new ATOM 0 HB THR A 629 20.780 -2.912 -4.299 1.00 0.00 H new ATOM 0 HG1 THR A 629 19.835 -3.887 -6.208 1.00 0.00 H new ATOM 0 HG21 THR A 629 20.812 -5.363 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 629 20.746 -4.959 -2.983 1.00 0.00 H new ATOM 0 HG23 THR A 629 19.278 -5.511 -3.824 1.00 0.00 H new ATOM 273 N CYS A 630 20.370 -1.066 -2.174 1.00 0.00 N ATOM 274 CA CYS A 630 21.256 -0.437 -1.217 1.00 0.00 C ATOM 275 C CYS A 630 21.074 1.075 -1.250 1.00 0.00 C ATOM 276 O CYS A 630 20.694 1.633 -2.284 1.00 0.00 O ATOM 277 CB CYS A 630 22.692 -0.793 -1.580 1.00 0.00 C ATOM 278 SG CYS A 630 23.121 -0.642 -3.338 1.00 0.00 S ATOM 0 H CYS A 630 20.128 -0.451 -2.951 1.00 0.00 H new ATOM 0 HA CYS A 630 21.025 -0.791 -0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 630 23.362 -0.153 -1.005 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.883 -1.819 -1.265 1.00 0.00 H new ATOM 283 N GLY A 631 21.392 1.743 -0.148 1.00 0.00 N ATOM 284 CA GLY A 631 21.302 3.182 -0.018 1.00 0.00 C ATOM 285 C GLY A 631 19.868 3.713 0.061 1.00 0.00 C ATOM 286 O GLY A 631 18.925 2.979 0.376 1.00 0.00 O ATOM 0 H GLY A 631 21.727 1.282 0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.842 3.490 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.803 3.645 -0.868 1.00 0.00 H new ATOM 290 N LYS A 632 19.707 5.014 -0.226 1.00 0.00 N ATOM 291 CA LYS A 632 18.417 5.714 -0.197 1.00 0.00 C ATOM 292 C LYS A 632 17.343 4.973 -0.997 1.00 0.00 C ATOM 293 O LYS A 632 17.640 4.476 -2.084 1.00 0.00 O ATOM 294 CB LYS A 632 18.565 7.192 -0.621 1.00 0.00 C ATOM 295 CG LYS A 632 18.548 7.560 -2.124 1.00 0.00 C ATOM 296 CD LYS A 632 19.823 7.275 -2.938 1.00 0.00 C ATOM 297 CE LYS A 632 19.882 5.843 -3.484 1.00 0.00 C ATOM 298 NZ LYS A 632 21.044 5.618 -4.366 1.00 0.00 N ATOM 0 H LYS A 632 20.485 5.619 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 632 18.072 5.719 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 632 17.764 7.752 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 632 19.504 7.558 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 632 17.723 7.024 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 632 18.326 8.624 -2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 632 19.880 7.977 -3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 632 20.695 7.454 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 632 19.922 5.142 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 632 18.966 5.630 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 21.036 4.636 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 20.995 6.267 -5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 21.921 5.793 -3.836 1.00 0.00 H new ATOM 312 N GLY A 633 16.089 4.935 -0.536 1.00 0.00 N ATOM 313 CA GLY A 633 15.043 4.231 -1.264 1.00 0.00 C ATOM 314 C GLY A 633 13.653 4.292 -0.614 1.00 0.00 C ATOM 315 O GLY A 633 13.490 4.870 0.464 1.00 0.00 O ATOM 0 H GLY A 633 15.781 5.380 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.977 4.647 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 633 15.334 3.186 -1.370 1.00 0.00 H new ATOM 319 N MET A 634 12.645 3.713 -1.281 1.00 0.00 N ATOM 320 CA MET A 634 11.236 3.647 -0.881 1.00 0.00 C ATOM 321 C MET A 634 10.604 2.315 -1.318 1.00 0.00 C ATOM 322 O MET A 634 11.225 1.530 -2.025 1.00 0.00 O ATOM 323 CB MET A 634 10.475 4.826 -1.517 1.00 0.00 C ATOM 324 CG MET A 634 10.916 6.176 -0.932 1.00 0.00 C ATOM 325 SD MET A 634 9.848 7.600 -1.278 1.00 0.00 S ATOM 326 CE MET A 634 8.293 7.058 -0.518 1.00 0.00 C ATOM 0 H MET A 634 12.805 3.247 -2.174 1.00 0.00 H new ATOM 0 HA MET A 634 11.173 3.710 0.205 1.00 0.00 H new ATOM 0 HB2 MET A 634 10.641 4.826 -2.594 1.00 0.00 H new ATOM 0 HB3 MET A 634 9.405 4.694 -1.359 1.00 0.00 H new ATOM 0 HG2 MET A 634 10.999 6.068 0.149 1.00 0.00 H new ATOM 0 HG3 MET A 634 11.914 6.400 -1.308 1.00 0.00 H new ATOM 0 HE1 MET A 634 7.638 7.918 -0.376 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.804 6.332 -1.168 1.00 0.00 H new ATOM 0 HE3 MET A 634 8.501 6.598 0.448 1.00 0.00 H new ATOM 336 N ARG A 635 9.382 2.018 -0.873 1.00 0.00 N ATOM 337 CA ARG A 635 8.596 0.816 -1.187 1.00 0.00 C ATOM 338 C ARG A 635 7.154 1.253 -1.407 1.00 0.00 C ATOM 339 O ARG A 635 6.776 2.341 -0.961 1.00 0.00 O ATOM 340 CB ARG A 635 8.632 -0.234 -0.051 1.00 0.00 C ATOM 341 CG ARG A 635 8.185 0.338 1.299 1.00 0.00 C ATOM 342 CD ARG A 635 8.128 -0.654 2.467 1.00 0.00 C ATOM 343 NE ARG A 635 9.480 -0.997 2.901 1.00 0.00 N ATOM 344 CZ ARG A 635 9.862 -1.588 4.042 1.00 0.00 C ATOM 345 NH1 ARG A 635 9.016 -1.732 5.055 1.00 0.00 N ATOM 346 NH2 ARG A 635 11.111 -2.014 4.194 1.00 0.00 N ATOM 0 H ARG A 635 8.881 2.647 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 635 9.025 0.346 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.988 -1.072 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.644 -0.627 0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 635 8.863 1.148 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.196 0.778 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.571 -0.219 3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 635 7.596 -1.555 2.163 1.00 0.00 H new ATOM 0 HE ARG A 635 10.230 -0.756 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 635 8.058 -1.390 4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 635 9.324 -2.184 5.916 1.00 0.00 H new ATOM 0 HH21 ARG A 635 11.787 -1.892 3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 635 11.394 -2.463 5.065 1.00 0.00 H new ATOM 360 N THR A 636 6.335 0.396 -2.003 1.00 0.00 N ATOM 361 CA THR A 636 4.932 0.679 -2.258 1.00 0.00 C ATOM 362 C THR A 636 4.109 -0.604 -2.103 1.00 0.00 C ATOM 363 O THR A 636 4.663 -1.707 -2.107 1.00 0.00 O ATOM 364 CB THR A 636 4.755 1.311 -3.638 1.00 0.00 C ATOM 365 OG1 THR A 636 5.227 0.466 -4.665 1.00 0.00 O ATOM 366 CG2 THR A 636 5.488 2.645 -3.800 1.00 0.00 C ATOM 0 H THR A 636 6.631 -0.525 -2.326 1.00 0.00 H new ATOM 0 HA THR A 636 4.568 1.401 -1.527 1.00 0.00 H new ATOM 0 HB THR A 636 3.680 1.474 -3.718 1.00 0.00 H new ATOM 0 HG1 THR A 636 5.096 0.902 -5.533 1.00 0.00 H new ATOM 0 HG21 THR A 636 5.317 3.034 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 636 5.113 3.358 -3.066 1.00 0.00 H new ATOM 0 HG23 THR A 636 6.556 2.494 -3.646 1.00 0.00 H new ATOM 374 N ARG A 637 2.800 -0.483 -1.886 1.00 0.00 N ATOM 375 CA ARG A 637 1.871 -1.603 -1.773 1.00 0.00 C ATOM 376 C ARG A 637 0.500 -1.073 -2.154 1.00 0.00 C ATOM 377 O ARG A 637 0.233 0.125 -2.021 1.00 0.00 O ATOM 378 CB ARG A 637 1.871 -2.316 -0.406 1.00 0.00 C ATOM 379 CG ARG A 637 1.435 -1.490 0.816 1.00 0.00 C ATOM 380 CD ARG A 637 1.025 -2.429 1.951 1.00 0.00 C ATOM 381 NE ARG A 637 0.861 -1.763 3.256 1.00 0.00 N ATOM 382 CZ ARG A 637 0.694 -2.428 4.410 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.582 -3.748 4.429 1.00 0.00 N ATOM 384 NH2 ARG A 637 0.645 -1.785 5.570 1.00 0.00 N ATOM 0 H ARG A 637 2.345 0.424 -1.781 1.00 0.00 H new ATOM 0 HA ARG A 637 2.194 -2.395 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.217 -3.185 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.878 -2.690 -0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 637 2.251 -0.845 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.602 -0.840 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 637 0.087 -2.916 1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.776 -3.214 2.048 1.00 0.00 H new ATOM 0 HE ARG A 637 0.875 -0.743 3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.622 -4.276 3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 637 0.456 -4.236 5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 637 0.735 -0.769 5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 637 0.517 -2.307 6.437 1.00 0.00 H new ATOM 398 N GLN A 638 -0.386 -1.971 -2.560 1.00 0.00 N ATOM 399 CA GLN A 638 -1.727 -1.637 -2.979 1.00 0.00 C ATOM 400 C GLN A 638 -2.719 -2.675 -2.470 1.00 0.00 C ATOM 401 O GLN A 638 -2.346 -3.684 -1.865 1.00 0.00 O ATOM 402 CB GLN A 638 -1.752 -1.475 -4.514 1.00 0.00 C ATOM 403 CG GLN A 638 -1.367 -2.739 -5.305 1.00 0.00 C ATOM 404 CD GLN A 638 0.102 -3.128 -5.155 1.00 0.00 C ATOM 405 OE1 GLN A 638 0.991 -2.348 -5.467 1.00 0.00 O ATOM 406 NE2 GLN A 638 0.396 -4.299 -4.613 1.00 0.00 N ATOM 0 H GLN A 638 -0.183 -2.969 -2.606 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.034 -0.686 -2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.753 -1.166 -4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.072 -0.669 -4.791 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -1.990 -3.569 -4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -1.586 -2.578 -6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -0.351 -4.944 -4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 638 1.370 -4.557 -4.453 1.00 0.00 H new ATOM 415 N ARG A 639 -3.996 -2.395 -2.701 1.00 0.00 N ATOM 416 CA ARG A 639 -5.152 -3.199 -2.343 1.00 0.00 C ATOM 417 C ARG A 639 -6.234 -2.940 -3.388 1.00 0.00 C ATOM 418 O ARG A 639 -6.013 -2.184 -4.338 1.00 0.00 O ATOM 419 CB ARG A 639 -5.612 -2.844 -0.918 1.00 0.00 C ATOM 420 CG ARG A 639 -5.970 -1.358 -0.754 1.00 0.00 C ATOM 421 CD ARG A 639 -6.686 -1.151 0.575 1.00 0.00 C ATOM 422 NE ARG A 639 -6.955 0.264 0.848 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.449 0.732 1.995 1.00 0.00 C ATOM 424 NH1 ARG A 639 -7.796 -0.104 2.975 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.599 2.043 2.123 1.00 0.00 N ATOM 0 H ARG A 639 -4.268 -1.536 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 639 -4.915 -4.263 -2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.480 -3.451 -0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.822 -3.102 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.067 -0.749 -0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.607 -1.034 -1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.626 -1.702 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.079 -1.565 1.380 1.00 0.00 H new ATOM 0 HE ARG A 639 -6.750 0.937 0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -7.684 -1.110 2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -8.173 0.263 3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.339 2.663 1.356 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -7.974 2.431 2.988 1.00 0.00 H new ATOM 439 N MET A 640 -7.409 -3.536 -3.220 1.00 0.00 N ATOM 440 CA MET A 640 -8.538 -3.382 -4.132 1.00 0.00 C ATOM 441 C MET A 640 -9.830 -3.214 -3.335 1.00 0.00 C ATOM 442 O MET A 640 -9.892 -3.559 -2.146 1.00 0.00 O ATOM 443 CB MET A 640 -8.607 -4.620 -5.034 1.00 0.00 C ATOM 444 CG MET A 640 -7.528 -4.623 -6.119 1.00 0.00 C ATOM 445 SD MET A 640 -7.457 -6.156 -7.084 1.00 0.00 S ATOM 446 CE MET A 640 -6.959 -5.470 -8.682 1.00 0.00 C ATOM 0 H MET A 640 -7.608 -4.152 -2.431 1.00 0.00 H new ATOM 0 HA MET A 640 -8.408 -2.494 -4.750 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.503 -5.516 -4.422 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.589 -4.667 -5.504 1.00 0.00 H new ATOM 0 HG2 MET A 640 -7.706 -3.787 -6.796 1.00 0.00 H new ATOM 0 HG3 MET A 640 -6.558 -4.454 -5.652 1.00 0.00 H new ATOM 0 HE1 MET A 640 -6.864 -6.276 -9.410 1.00 0.00 H new ATOM 0 HE2 MET A 640 -7.712 -4.759 -9.023 1.00 0.00 H new ATOM 0 HE3 MET A 640 -6.001 -4.961 -8.577 1.00 0.00 H new ATOM 456 N LEU A 641 -10.854 -2.625 -3.955 1.00 0.00 N ATOM 457 CA LEU A 641 -12.146 -2.435 -3.310 1.00 0.00 C ATOM 458 C LEU A 641 -12.902 -3.765 -3.364 1.00 0.00 C ATOM 459 O LEU A 641 -12.696 -4.564 -4.277 1.00 0.00 O ATOM 460 CB LEU A 641 -12.908 -1.233 -3.906 1.00 0.00 C ATOM 461 CG LEU A 641 -13.737 -1.479 -5.181 1.00 0.00 C ATOM 462 CD1 LEU A 641 -14.462 -0.191 -5.591 1.00 0.00 C ATOM 463 CD2 LEU A 641 -12.872 -1.903 -6.368 1.00 0.00 C ATOM 0 H LEU A 641 -10.808 -2.270 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 641 -12.024 -2.168 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -13.578 -0.845 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.183 -0.448 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.437 -2.280 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -15.046 -0.374 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -15.126 0.124 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -13.730 0.593 -5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -13.505 -2.064 -7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -12.145 -1.121 -6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -12.348 -2.827 -6.125 1.00 0.00 H new ATOM 475 N LYS A 642 -13.760 -4.028 -2.374 1.00 0.00 N ATOM 476 CA LYS A 642 -14.544 -5.269 -2.299 1.00 0.00 C ATOM 477 C LYS A 642 -16.019 -4.964 -2.027 1.00 0.00 C ATOM 478 O LYS A 642 -16.750 -5.812 -1.499 1.00 0.00 O ATOM 479 CB LYS A 642 -13.897 -6.247 -1.287 1.00 0.00 C ATOM 480 CG LYS A 642 -12.657 -6.989 -1.815 1.00 0.00 C ATOM 481 CD LYS A 642 -12.963 -8.035 -2.900 1.00 0.00 C ATOM 482 CE LYS A 642 -13.602 -9.315 -2.352 1.00 0.00 C ATOM 483 NZ LYS A 642 -14.083 -10.184 -3.447 1.00 0.00 N ATOM 0 H LYS A 642 -13.932 -3.387 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 642 -14.528 -5.778 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -13.617 -5.691 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.643 -6.982 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -11.955 -6.259 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -12.160 -7.483 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -13.630 -7.594 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -12.038 -8.292 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -12.875 -9.857 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -14.434 -9.057 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -14.511 -11.043 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -14.794 -9.673 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -13.283 -10.448 -4.057 1.00 0.00 H new ATOM 497 N SER A 643 -16.442 -3.746 -2.337 1.00 0.00 N ATOM 498 CA SER A 643 -17.765 -3.176 -2.187 1.00 0.00 C ATOM 499 C SER A 643 -18.757 -3.729 -3.219 1.00 0.00 C ATOM 500 O SER A 643 -19.357 -2.975 -3.993 1.00 0.00 O ATOM 501 CB SER A 643 -17.582 -1.654 -2.253 1.00 0.00 C ATOM 502 OG SER A 643 -16.617 -1.278 -3.213 1.00 0.00 O ATOM 0 H SER A 643 -15.797 -3.067 -2.741 1.00 0.00 H new ATOM 0 HA SER A 643 -18.215 -3.453 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 643 -18.536 -1.184 -2.494 1.00 0.00 H new ATOM 0 HB3 SER A 643 -17.283 -1.282 -1.273 1.00 0.00 H new ATOM 0 HG SER A 643 -16.894 -1.596 -4.097 1.00 0.00 H new ATOM 508 N LEU A 644 -18.937 -5.054 -3.255 1.00 0.00 N ATOM 509 CA LEU A 644 -19.843 -5.713 -4.184 1.00 0.00 C ATOM 510 C LEU A 644 -21.283 -5.239 -3.961 1.00 0.00 C ATOM 511 O LEU A 644 -22.056 -5.159 -4.912 1.00 0.00 O ATOM 512 CB LEU A 644 -19.695 -7.251 -4.105 1.00 0.00 C ATOM 513 CG LEU A 644 -20.493 -7.958 -2.988 1.00 0.00 C ATOM 514 CD1 LEU A 644 -20.719 -9.438 -3.295 1.00 0.00 C ATOM 515 CD2 LEU A 644 -19.801 -7.856 -1.634 1.00 0.00 C ATOM 0 H LEU A 644 -18.451 -5.699 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 644 -19.573 -5.430 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -19.999 -7.674 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -18.639 -7.487 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 644 -21.452 -7.441 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -21.284 -9.896 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -21.278 -9.535 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -19.757 -9.940 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -20.399 -8.368 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -18.817 -8.320 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -19.691 -6.807 -1.360 1.00 0.00 H new ATOM 527 N ALA A 645 -21.646 -4.892 -2.718 1.00 0.00 N ATOM 528 CA ALA A 645 -22.979 -4.424 -2.364 1.00 0.00 C ATOM 529 C ALA A 645 -23.257 -3.009 -2.892 1.00 0.00 C ATOM 530 O ALA A 645 -24.330 -2.474 -2.615 1.00 0.00 O ATOM 531 CB ALA A 645 -23.171 -4.493 -0.845 1.00 0.00 C ATOM 0 H ALA A 645 -21.007 -4.932 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 645 -23.702 -5.083 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -24.170 -4.141 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -23.052 -5.523 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -22.428 -3.864 -0.355 1.00 0.00 H new ATOM 537 N GLU A 646 -22.316 -2.394 -3.620 1.00 0.00 N ATOM 538 CA GLU A 646 -22.428 -1.061 -4.208 1.00 0.00 C ATOM 539 C GLU A 646 -22.847 -0.023 -3.167 1.00 0.00 C ATOM 540 O GLU A 646 -23.789 0.751 -3.333 1.00 0.00 O ATOM 541 CB GLU A 646 -23.329 -1.122 -5.448 1.00 0.00 C ATOM 542 CG GLU A 646 -22.589 -1.809 -6.600 1.00 0.00 C ATOM 543 CD GLU A 646 -23.481 -1.923 -7.827 1.00 0.00 C ATOM 544 OE1 GLU A 646 -23.582 -0.938 -8.600 1.00 0.00 O ATOM 545 OE2 GLU A 646 -24.048 -3.018 -8.036 1.00 0.00 O ATOM 0 H GLU A 646 -21.418 -2.835 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 646 -21.451 -0.721 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -24.244 -1.667 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -23.624 -0.115 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -21.691 -1.243 -6.849 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -22.264 -2.802 -6.288 1.00 0.00 H new ATOM 552 N LEU A 647 -22.091 -0.007 -2.070 1.00 0.00 N ATOM 553 CA LEU A 647 -22.274 0.893 -0.935 1.00 0.00 C ATOM 554 C LEU A 647 -22.216 2.370 -1.327 1.00 0.00 C ATOM 555 O LEU A 647 -22.751 3.205 -0.596 1.00 0.00 O ATOM 556 CB LEU A 647 -21.220 0.582 0.131 1.00 0.00 C ATOM 557 CG LEU A 647 -19.789 0.999 -0.262 1.00 0.00 C ATOM 558 CD1 LEU A 647 -19.389 2.414 0.174 1.00 0.00 C ATOM 559 CD2 LEU A 647 -18.828 0.025 0.397 1.00 0.00 C ATOM 0 H LEU A 647 -21.305 -0.645 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 647 -23.275 0.721 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -21.494 1.088 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -21.232 -0.488 0.338 1.00 0.00 H new ATOM 0 HG LEU A 647 -19.750 0.987 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -18.367 2.618 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -20.063 3.139 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -19.452 2.492 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -17.804 0.293 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -18.952 0.068 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -19.038 -0.986 0.047 1.00 0.00 H new ATOM 571 N GLY A 648 -21.545 2.693 -2.435 1.00 0.00 N ATOM 572 CA GLY A 648 -21.366 4.002 -2.978 1.00 0.00 C ATOM 573 C GLY A 648 -20.097 3.946 -3.813 1.00 0.00 C ATOM 574 O GLY A 648 -19.917 3.036 -4.631 1.00 0.00 O ATOM 0 H GLY A 648 -21.087 1.980 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -22.221 4.290 -3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -21.277 4.744 -2.184 1.00 0.00 H new ATOM 578 N ASP A 649 -19.227 4.915 -3.587 1.00 0.00 N ATOM 579 CA ASP A 649 -17.950 5.128 -4.257 1.00 0.00 C ATOM 580 C ASP A 649 -17.191 6.172 -3.436 1.00 0.00 C ATOM 581 O ASP A 649 -17.643 7.315 -3.359 1.00 0.00 O ATOM 582 CB ASP A 649 -18.254 5.656 -5.669 1.00 0.00 C ATOM 583 CG ASP A 649 -17.010 5.840 -6.517 1.00 0.00 C ATOM 584 OD1 ASP A 649 -16.284 4.840 -6.714 1.00 0.00 O ATOM 585 OD2 ASP A 649 -16.793 6.959 -7.041 1.00 0.00 O ATOM 0 H ASP A 649 -19.405 5.627 -2.879 1.00 0.00 H new ATOM 0 HA ASP A 649 -17.353 4.219 -4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -18.930 4.964 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -18.776 6.609 -5.589 1.00 0.00 H new ATOM 590 N CYS A 650 -16.101 5.792 -2.762 1.00 0.00 N ATOM 591 CA CYS A 650 -15.317 6.711 -1.937 1.00 0.00 C ATOM 592 C CYS A 650 -13.984 7.096 -2.574 1.00 0.00 C ATOM 593 O CYS A 650 -13.344 6.282 -3.239 1.00 0.00 O ATOM 594 CB CYS A 650 -15.005 6.066 -0.577 1.00 0.00 C ATOM 595 SG CYS A 650 -13.962 4.591 -0.636 1.00 0.00 S ATOM 0 H CYS A 650 -15.739 4.838 -2.774 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.926 7.608 -1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.518 6.809 0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -15.947 5.805 -0.094 1.00 0.00 H new ATOM 600 N ASN A 651 -13.491 8.294 -2.252 1.00 0.00 N ATOM 601 CA ASN A 651 -12.206 8.803 -2.752 1.00 0.00 C ATOM 602 C ASN A 651 -11.025 8.171 -1.998 1.00 0.00 C ATOM 603 O ASN A 651 -9.898 8.643 -2.125 1.00 0.00 O ATOM 604 CB ASN A 651 -12.124 10.332 -2.593 1.00 0.00 C ATOM 605 CG ASN A 651 -13.055 11.071 -3.531 1.00 0.00 C ATOM 606 OD1 ASN A 651 -13.021 10.866 -4.742 1.00 0.00 O ATOM 607 ND2 ASN A 651 -13.921 11.917 -3.003 1.00 0.00 N ATOM 0 H ASN A 651 -13.974 8.945 -1.633 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.146 8.537 -3.807 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -12.365 10.599 -1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -11.100 10.657 -2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -14.578 12.415 -3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -13.932 12.073 -1.995 1.00 0.00 H new ATOM 614 N GLU A 652 -11.263 7.167 -1.153 1.00 0.00 N ATOM 615 CA GLU A 652 -10.246 6.490 -0.362 1.00 0.00 C ATOM 616 C GLU A 652 -9.148 5.890 -1.247 1.00 0.00 C ATOM 617 O GLU A 652 -9.346 5.597 -2.432 1.00 0.00 O ATOM 618 CB GLU A 652 -10.942 5.447 0.503 1.00 0.00 C ATOM 619 CG GLU A 652 -10.252 4.959 1.774 1.00 0.00 C ATOM 620 CD GLU A 652 -9.925 6.048 2.796 1.00 0.00 C ATOM 621 OE1 GLU A 652 -10.818 6.875 3.083 1.00 0.00 O ATOM 622 OE2 GLU A 652 -8.823 6.018 3.393 1.00 0.00 O ATOM 0 H GLU A 652 -12.200 6.794 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 652 -9.733 7.203 0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -11.912 5.852 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -11.133 4.575 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -10.889 4.215 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -9.327 4.455 1.495 1.00 0.00 H new ATOM 629 N ASP A 653 -8.006 5.675 -0.608 1.00 0.00 N ATOM 630 CA ASP A 653 -6.769 5.176 -1.196 1.00 0.00 C ATOM 631 C ASP A 653 -6.711 3.667 -1.411 1.00 0.00 C ATOM 632 O ASP A 653 -7.079 2.877 -0.532 1.00 0.00 O ATOM 633 CB ASP A 653 -5.579 5.542 -0.287 1.00 0.00 C ATOM 634 CG ASP A 653 -5.632 6.950 0.296 1.00 0.00 C ATOM 635 OD1 ASP A 653 -5.237 7.923 -0.382 1.00 0.00 O ATOM 636 OD2 ASP A 653 -6.049 7.082 1.469 1.00 0.00 O ATOM 0 H ASP A 653 -7.912 5.854 0.392 1.00 0.00 H new ATOM 0 HA ASP A 653 -6.725 5.648 -2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.532 4.825 0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -4.657 5.434 -0.858 1.00 0.00 H new ATOM 641 N LEU A 654 -6.129 3.273 -2.545 1.00 0.00 N ATOM 642 CA LEU A 654 -5.915 1.897 -2.975 1.00 0.00 C ATOM 643 C LEU A 654 -4.420 1.598 -3.092 1.00 0.00 C ATOM 644 O LEU A 654 -4.064 0.425 -3.173 1.00 0.00 O ATOM 645 CB LEU A 654 -6.606 1.598 -4.319 1.00 0.00 C ATOM 646 CG LEU A 654 -8.143 1.533 -4.280 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.668 1.229 -5.688 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.645 0.439 -3.330 1.00 0.00 C ATOM 0 H LEU A 654 -5.775 3.947 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.359 1.253 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.311 2.364 -5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.230 0.647 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.507 2.496 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -9.757 1.181 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.352 2.016 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.269 0.273 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.735 0.427 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.271 -0.530 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.286 0.641 -2.321 1.00 0.00 H new ATOM 660 N GLU A 655 -3.541 2.605 -3.084 1.00 0.00 N ATOM 661 CA GLU A 655 -2.090 2.464 -3.172 1.00 0.00 C ATOM 662 C GLU A 655 -1.461 3.387 -2.131 1.00 0.00 C ATOM 663 O GLU A 655 -2.000 4.459 -1.852 1.00 0.00 O ATOM 664 CB GLU A 655 -1.612 2.794 -4.593 1.00 0.00 C ATOM 665 CG GLU A 655 -0.080 2.892 -4.712 1.00 0.00 C ATOM 666 CD GLU A 655 0.362 2.973 -6.173 1.00 0.00 C ATOM 667 OE1 GLU A 655 0.288 1.959 -6.906 1.00 0.00 O ATOM 668 OE2 GLU A 655 0.796 4.069 -6.603 1.00 0.00 O ATOM 0 H GLU A 655 -3.836 3.579 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 655 -1.787 1.437 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -1.975 2.028 -5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.055 3.739 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.273 3.772 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.379 2.024 -4.239 1.00 0.00 H new ATOM 675 N GLN A 656 -0.332 2.974 -1.557 1.00 0.00 N ATOM 676 CA GLN A 656 0.417 3.722 -0.563 1.00 0.00 C ATOM 677 C GLN A 656 1.906 3.429 -0.733 1.00 0.00 C ATOM 678 O GLN A 656 2.309 2.332 -1.128 1.00 0.00 O ATOM 679 CB GLN A 656 -0.048 3.354 0.860 1.00 0.00 C ATOM 680 CG GLN A 656 -1.012 4.390 1.452 1.00 0.00 C ATOM 681 CD GLN A 656 -0.308 5.657 1.941 1.00 0.00 C ATOM 682 OE1 GLN A 656 -0.110 6.621 1.204 1.00 0.00 O ATOM 683 NE2 GLN A 656 0.109 5.678 3.195 1.00 0.00 N ATOM 0 H GLN A 656 0.097 2.077 -1.783 1.00 0.00 H new ATOM 0 HA GLN A 656 0.239 4.788 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.536 2.380 0.838 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.822 3.260 1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -1.752 4.661 0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -1.554 3.939 2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -0.058 4.875 3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 656 0.598 6.497 3.556 1.00 0.00 H new ATOM 692 N ALA A 657 2.715 4.413 -0.354 1.00 0.00 N ATOM 693 CA ALA A 657 4.174 4.395 -0.407 1.00 0.00 C ATOM 694 C ALA A 657 4.764 4.546 1.000 1.00 0.00 C ATOM 695 O ALA A 657 4.114 5.110 1.887 1.00 0.00 O ATOM 696 CB ALA A 657 4.656 5.515 -1.334 1.00 0.00 C ATOM 0 H ALA A 657 2.352 5.291 0.018 1.00 0.00 H new ATOM 0 HA ALA A 657 4.515 3.438 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.745 5.507 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 657 4.251 5.359 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 657 4.315 6.477 -0.950 1.00 0.00 H new ATOM 702 N GLU A 658 5.997 4.078 1.202 1.00 0.00 N ATOM 703 CA GLU A 658 6.729 4.122 2.468 1.00 0.00 C ATOM 704 C GLU A 658 8.225 4.302 2.179 1.00 0.00 C ATOM 705 O GLU A 658 8.705 3.958 1.098 1.00 0.00 O ATOM 706 CB GLU A 658 6.447 2.817 3.230 1.00 0.00 C ATOM 707 CG GLU A 658 7.200 2.569 4.529 1.00 0.00 C ATOM 708 CD GLU A 658 6.798 3.563 5.608 1.00 0.00 C ATOM 709 OE1 GLU A 658 7.410 4.651 5.678 1.00 0.00 O ATOM 710 OE2 GLU A 658 5.916 3.226 6.429 1.00 0.00 O ATOM 0 H GLU A 658 6.535 3.639 0.455 1.00 0.00 H new ATOM 0 HA GLU A 658 6.408 4.962 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.380 2.784 3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.659 1.986 2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 658 7.003 1.555 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 658 8.272 2.641 4.348 1.00 0.00 H new ATOM 717 N LYS A 659 8.974 4.855 3.131 1.00 0.00 N ATOM 718 CA LYS A 659 10.412 5.096 3.035 1.00 0.00 C ATOM 719 C LYS A 659 11.175 3.851 3.487 1.00 0.00 C ATOM 720 O LYS A 659 10.800 3.246 4.494 1.00 0.00 O ATOM 721 CB LYS A 659 10.773 6.345 3.866 1.00 0.00 C ATOM 722 CG LYS A 659 10.529 6.191 5.386 1.00 0.00 C ATOM 723 CD LYS A 659 10.576 7.483 6.211 1.00 0.00 C ATOM 724 CE LYS A 659 9.396 8.394 5.843 1.00 0.00 C ATOM 725 NZ LYS A 659 9.705 9.832 5.930 1.00 0.00 N ATOM 0 H LYS A 659 8.582 5.158 4.022 1.00 0.00 H new ATOM 0 HA LYS A 659 10.700 5.291 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 659 11.823 6.586 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 659 10.191 7.191 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 659 9.554 5.726 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 659 11.273 5.502 5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 659 10.543 7.245 7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 659 11.516 8.004 6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 659 9.073 8.162 4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 659 8.558 8.171 6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 8.864 10.384 5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 9.985 10.069 6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 10.484 10.060 5.280 1.00 0.00 H new ATOM 739 N CYS A 660 12.191 3.413 2.739 1.00 0.00 N ATOM 740 CA CYS A 660 12.979 2.248 3.122 1.00 0.00 C ATOM 741 C CYS A 660 14.350 2.285 2.471 1.00 0.00 C ATOM 742 O CYS A 660 14.514 1.966 1.289 1.00 0.00 O ATOM 743 CB CYS A 660 12.269 0.918 2.852 1.00 0.00 C ATOM 744 SG CYS A 660 11.860 0.489 1.142 1.00 0.00 S ATOM 0 H CYS A 660 12.484 3.850 1.865 1.00 0.00 H new ATOM 0 HA CYS A 660 13.105 2.304 4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 660 12.895 0.121 3.253 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.342 0.915 3.425 1.00 0.00 H new ATOM 749 N MET A 661 15.337 2.735 3.236 1.00 0.00 N ATOM 750 CA MET A 661 16.706 2.806 2.768 1.00 0.00 C ATOM 751 C MET A 661 17.371 1.487 3.136 1.00 0.00 C ATOM 752 O MET A 661 17.229 0.992 4.259 1.00 0.00 O ATOM 753 CB MET A 661 17.442 3.978 3.413 1.00 0.00 C ATOM 754 CG MET A 661 16.714 5.302 3.156 1.00 0.00 C ATOM 755 SD MET A 661 17.689 6.775 3.531 1.00 0.00 S ATOM 756 CE MET A 661 17.721 6.619 5.337 1.00 0.00 C ATOM 0 H MET A 661 15.207 3.059 4.194 1.00 0.00 H new ATOM 0 HA MET A 661 16.735 2.967 1.690 1.00 0.00 H new ATOM 0 HB2 MET A 661 17.528 3.810 4.487 1.00 0.00 H new ATOM 0 HB3 MET A 661 18.456 4.035 3.018 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.411 5.339 2.110 1.00 0.00 H new ATOM 0 HG3 MET A 661 15.802 5.323 3.753 1.00 0.00 H new ATOM 0 HE1 MET A 661 18.208 7.493 5.769 1.00 0.00 H new ATOM 0 HE2 MET A 661 16.701 6.549 5.714 1.00 0.00 H new ATOM 0 HE3 MET A 661 18.273 5.721 5.615 1.00 0.00 H new ATOM 766 N LEU A 662 18.076 0.892 2.187 1.00 0.00 N ATOM 767 CA LEU A 662 18.796 -0.368 2.366 1.00 0.00 C ATOM 768 C LEU A 662 20.224 -0.051 2.851 1.00 0.00 C ATOM 769 O LEU A 662 20.595 1.131 2.856 1.00 0.00 O ATOM 770 CB LEU A 662 18.779 -1.114 1.022 1.00 0.00 C ATOM 771 CG LEU A 662 17.609 -2.077 0.752 1.00 0.00 C ATOM 772 CD1 LEU A 662 17.830 -3.436 1.417 1.00 0.00 C ATOM 773 CD2 LEU A 662 16.241 -1.516 1.141 1.00 0.00 C ATOM 0 H LEU A 662 18.168 1.277 1.247 1.00 0.00 H new ATOM 0 HA LEU A 662 18.331 -1.008 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.791 -0.370 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.706 -1.682 0.942 1.00 0.00 H new ATOM 0 HG LEU A 662 17.597 -2.207 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 662 16.983 -4.088 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 662 18.742 -3.888 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 662 17.923 -3.303 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.469 -2.253 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 662 16.231 -1.288 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 662 16.046 -0.606 0.574 1.00 0.00 H new ATOM 785 N PRO A 663 21.034 -1.036 3.286 1.00 0.00 N ATOM 786 CA PRO A 663 22.401 -0.775 3.736 1.00 0.00 C ATOM 787 C PRO A 663 23.288 -0.343 2.554 1.00 0.00 C ATOM 788 O PRO A 663 22.793 -0.097 1.453 1.00 0.00 O ATOM 789 CB PRO A 663 22.871 -2.080 4.393 1.00 0.00 C ATOM 790 CG PRO A 663 22.087 -3.148 3.637 1.00 0.00 C ATOM 791 CD PRO A 663 20.750 -2.465 3.362 1.00 0.00 C ATOM 0 HA PRO A 663 22.459 0.048 4.448 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.947 -2.220 4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.650 -2.097 5.460 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.589 -3.439 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 663 21.963 -4.053 4.231 1.00 0.00 H new ATOM 0 HD2 PRO A 663 20.312 -2.825 2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 663 20.033 -2.678 4.155 1.00 0.00 H new ATOM 799 N GLU A 664 24.587 -0.138 2.777 1.00 0.00 N ATOM 800 CA GLU A 664 25.526 0.236 1.720 1.00 0.00 C ATOM 801 C GLU A 664 25.531 -0.859 0.647 1.00 0.00 C ATOM 802 O GLU A 664 25.156 -2.007 0.900 1.00 0.00 O ATOM 803 CB GLU A 664 26.934 0.491 2.285 1.00 0.00 C ATOM 804 CG GLU A 664 27.535 -0.685 3.075 1.00 0.00 C ATOM 805 CD GLU A 664 27.241 -0.589 4.574 1.00 0.00 C ATOM 806 OE1 GLU A 664 26.101 -0.883 5.002 1.00 0.00 O ATOM 807 OE2 GLU A 664 28.146 -0.203 5.345 1.00 0.00 O ATOM 0 H GLU A 664 25.018 -0.227 3.697 1.00 0.00 H new ATOM 0 HA GLU A 664 25.204 1.173 1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 664 27.603 0.735 1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 664 26.897 1.365 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 664 27.135 -1.622 2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 664 28.614 -0.711 2.920 1.00 0.00 H new ATOM 814 N CYS A 665 25.929 -0.505 -0.572 1.00 0.00 N ATOM 815 CA CYS A 665 25.956 -1.461 -1.666 1.00 0.00 C ATOM 816 C CYS A 665 27.050 -2.513 -1.471 1.00 0.00 C ATOM 817 O CYS A 665 28.198 -2.127 -1.229 1.00 0.00 O ATOM 818 CB CYS A 665 26.124 -0.716 -2.981 1.00 0.00 C ATOM 819 SG CYS A 665 24.810 0.484 -3.293 1.00 0.00 S ATOM 0 H CYS A 665 26.236 0.435 -0.823 1.00 0.00 H new ATOM 0 HA CYS A 665 25.009 -2.001 -1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 665 27.085 -0.201 -2.979 1.00 0.00 H new ATOM 0 HB3 CYS A 665 26.151 -1.437 -3.798 1.00 0.00 H new ATOM 824 N PRO A 666 26.712 -3.813 -1.544 1.00 0.00 N ATOM 825 CA PRO A 666 27.676 -4.889 -1.399 1.00 0.00 C ATOM 826 C PRO A 666 28.586 -4.926 -2.625 1.00 0.00 C ATOM 827 O PRO A 666 28.146 -4.512 -3.721 1.00 0.00 O ATOM 828 CB PRO A 666 26.858 -6.174 -1.263 1.00 0.00 C ATOM 829 CG PRO A 666 25.565 -5.861 -2.008 1.00 0.00 C ATOM 830 CD PRO A 666 25.388 -4.355 -1.828 1.00 0.00 C ATOM 0 HA PRO A 666 28.320 -4.757 -0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 666 27.376 -7.027 -1.702 1.00 0.00 H new ATOM 0 HB3 PRO A 666 26.669 -6.419 -0.218 1.00 0.00 H new ATOM 0 HG2 PRO A 666 25.636 -6.131 -3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 666 24.722 -6.414 -1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 666 24.969 -3.904 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 666 24.698 -4.140 -1.012 1.00 0.00 H new