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 -90:sc= 1.23 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 180:sc= 0 USER MOD Single : A 629 THR OG1 : rot 75:sc= 0.116 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 MET CE :methyl -174:sc= -0.0525 (180deg=-0.139) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 640 MET CE :methyl 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 -149:sc= -0.0373 USER MOD Single : A 651 ASN : amide:sc= 0.114 X(o=0.11,f=0) USER MOD Single : A 656 GLN : amide:sc= 1.4 K(o=1.4,f=0) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl 167:sc= -0.113 (180deg=-0.409) USER MOD ----------------------------------------------------------------- ATOM 38 N PRO A 614 -21.282 1.069 4.661 1.00 0.00 N ATOM 39 CA PRO A 614 -20.016 1.720 4.919 1.00 0.00 C ATOM 40 C PRO A 614 -18.991 1.227 3.874 1.00 0.00 C ATOM 41 O PRO A 614 -19.180 0.141 3.316 1.00 0.00 O ATOM 42 CB PRO A 614 -19.648 1.279 6.335 1.00 0.00 C ATOM 43 CG PRO A 614 -20.253 -0.119 6.451 1.00 0.00 C ATOM 44 CD PRO A 614 -21.510 -0.035 5.584 1.00 0.00 C ATOM 0 HA PRO A 614 -20.046 2.807 4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -18.568 1.261 6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -20.059 1.956 7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -19.567 -0.885 6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -20.494 -0.368 7.484 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -21.676 -0.968 5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -22.395 0.142 6.195 1.00 0.00 H new ATOM 52 N CYS A 615 -17.876 1.947 3.687 1.00 0.00 N ATOM 53 CA CYS A 615 -16.787 1.630 2.748 1.00 0.00 C ATOM 54 C CYS A 615 -16.300 0.184 2.932 1.00 0.00 C ATOM 55 O CYS A 615 -15.467 -0.091 3.799 1.00 0.00 O ATOM 56 CB CYS A 615 -15.627 2.638 2.885 1.00 0.00 C ATOM 57 SG CYS A 615 -16.145 4.360 3.024 1.00 0.00 S ATOM 0 H CYS A 615 -17.699 2.805 4.209 1.00 0.00 H new ATOM 0 HA CYS A 615 -17.181 1.716 1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -15.038 2.377 3.764 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -14.971 2.538 2.020 1.00 0.00 H new ATOM 62 N LEU A 616 -16.809 -0.734 2.100 1.00 0.00 N ATOM 63 CA LEU A 616 -16.499 -2.161 2.124 1.00 0.00 C ATOM 64 C LEU A 616 -15.113 -2.448 1.548 1.00 0.00 C ATOM 65 O LEU A 616 -14.960 -3.000 0.460 1.00 0.00 O ATOM 66 CB LEU A 616 -17.622 -2.957 1.450 1.00 0.00 C ATOM 67 CG LEU A 616 -17.553 -4.484 1.666 1.00 0.00 C ATOM 68 CD1 LEU A 616 -16.912 -4.976 2.968 1.00 0.00 C ATOM 69 CD2 LEU A 616 -18.973 -5.046 1.634 1.00 0.00 C ATOM 0 H LEU A 616 -17.473 -0.489 1.365 1.00 0.00 H new ATOM 0 HA LEU A 616 -16.452 -2.497 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.580 -2.594 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.600 -2.754 0.379 1.00 0.00 H new ATOM 0 HG LEU A 616 -16.905 -4.834 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -16.928 -6.066 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -15.881 -4.627 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -17.471 -4.586 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -18.941 -6.125 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -19.564 -4.586 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -19.429 -4.829 0.668 1.00 0.00 H new ATOM 81 N LEU A 617 -14.094 -2.076 2.309 1.00 0.00 N ATOM 82 CA LEU A 617 -12.686 -2.230 1.984 1.00 0.00 C ATOM 83 C LEU A 617 -12.141 -3.524 2.582 1.00 0.00 C ATOM 84 O LEU A 617 -12.856 -4.298 3.225 1.00 0.00 O ATOM 85 CB LEU A 617 -11.916 -1.047 2.594 1.00 0.00 C ATOM 86 CG LEU A 617 -12.356 0.338 2.094 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.881 1.366 3.123 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.790 0.611 0.693 1.00 0.00 C ATOM 0 H LEU A 617 -14.236 -1.635 3.218 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.567 -2.259 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -12.029 -1.079 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.855 -1.174 2.380 1.00 0.00 H new ATOM 0 HG LEU A 617 -13.440 0.396 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -12.176 2.365 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -12.333 1.148 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.796 1.318 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -12.112 1.596 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.701 0.578 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -12.154 -0.147 -0.001 1.00 0.00 H new ATOM 100 N SER A 618 -10.852 -3.752 2.363 1.00 0.00 N ATOM 101 CA SER A 618 -10.071 -4.874 2.842 1.00 0.00 C ATOM 102 C SER A 618 -8.918 -4.299 3.661 1.00 0.00 C ATOM 103 O SER A 618 -8.586 -3.113 3.508 1.00 0.00 O ATOM 104 CB SER A 618 -9.471 -5.625 1.648 1.00 0.00 C ATOM 105 OG SER A 618 -8.764 -4.732 0.820 1.00 0.00 O ATOM 0 H SER A 618 -10.290 -3.109 1.806 1.00 0.00 H new ATOM 0 HA SER A 618 -10.693 -5.551 3.428 1.00 0.00 H new ATOM 0 HB2 SER A 618 -8.804 -6.411 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 618 -10.263 -6.111 1.079 1.00 0.00 H new ATOM 0 HG SER A 618 -9.370 -4.364 0.143 1.00 0.00 H new ATOM 111 N PRO A 619 -8.281 -5.101 4.522 1.00 0.00 N ATOM 112 CA PRO A 619 -7.149 -4.604 5.269 1.00 0.00 C ATOM 113 C PRO A 619 -6.003 -4.419 4.261 1.00 0.00 C ATOM 114 O PRO A 619 -5.946 -5.117 3.240 1.00 0.00 O ATOM 115 CB PRO A 619 -6.836 -5.683 6.304 1.00 0.00 C ATOM 116 CG PRO A 619 -7.330 -6.963 5.628 1.00 0.00 C ATOM 117 CD PRO A 619 -8.543 -6.500 4.827 1.00 0.00 C ATOM 0 HA PRO A 619 -7.319 -3.654 5.775 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.770 -5.730 6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.352 -5.500 7.247 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.566 -7.397 4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.600 -7.725 6.360 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.662 -7.087 3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.462 -6.613 5.402 1.00 0.00 H new ATOM 125 N TRP A 620 -5.084 -3.488 4.526 1.00 0.00 N ATOM 126 CA TRP A 620 -3.951 -3.288 3.632 1.00 0.00 C ATOM 127 C TRP A 620 -3.154 -4.583 3.588 1.00 0.00 C ATOM 128 O TRP A 620 -2.723 -5.061 4.644 1.00 0.00 O ATOM 129 CB TRP A 620 -3.039 -2.152 4.086 1.00 0.00 C ATOM 130 CG TRP A 620 -3.593 -0.792 3.881 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.229 -0.048 4.803 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.539 0.017 2.680 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.662 1.131 4.226 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.253 1.225 2.916 1.00 0.00 C ATOM 135 CE3 TRP A 620 -2.932 -0.152 1.423 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.389 2.215 1.936 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.028 0.851 0.449 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.765 2.022 0.694 1.00 0.00 C ATOM 0 H TRP A 620 -5.104 -2.872 5.339 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.334 -3.016 2.649 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.818 -2.283 5.145 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -2.093 -2.228 3.551 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -4.378 -0.328 5.835 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -5.214 1.840 4.709 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.389 -1.060 1.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.962 3.109 2.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.530 0.722 -0.501 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -3.851 2.775 -0.075 1.00 0.00 H new ATOM 149 N SER A 621 -2.979 -5.128 2.384 1.00 0.00 N ATOM 150 CA SER A 621 -2.239 -6.355 2.161 1.00 0.00 C ATOM 151 C SER A 621 -0.775 -6.123 2.547 1.00 0.00 C ATOM 152 O SER A 621 -0.341 -4.979 2.705 1.00 0.00 O ATOM 153 CB SER A 621 -2.439 -6.766 0.700 1.00 0.00 C ATOM 154 OG SER A 621 -2.246 -8.151 0.494 1.00 0.00 O ATOM 0 H SER A 621 -3.355 -4.718 1.529 1.00 0.00 H new ATOM 0 HA SER A 621 -2.595 -7.178 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 621 -3.446 -6.492 0.384 1.00 0.00 H new ATOM 0 HB3 SER A 621 -1.745 -6.209 0.071 1.00 0.00 H new ATOM 0 HG SER A 621 -2.386 -8.364 -0.452 1.00 0.00 H new ATOM 160 N GLU A 622 0.004 -7.187 2.714 1.00 0.00 N ATOM 161 CA GLU A 622 1.406 -7.060 3.097 1.00 0.00 C ATOM 162 C GLU A 622 2.241 -6.316 2.043 1.00 0.00 C ATOM 163 O GLU A 622 1.867 -6.220 0.868 1.00 0.00 O ATOM 164 CB GLU A 622 1.987 -8.436 3.468 1.00 0.00 C ATOM 165 CG GLU A 622 2.062 -9.472 2.336 1.00 0.00 C ATOM 166 CD GLU A 622 2.597 -10.830 2.816 1.00 0.00 C ATOM 167 OE1 GLU A 622 2.829 -11.030 4.037 1.00 0.00 O ATOM 168 OE2 GLU A 622 2.761 -11.740 1.975 1.00 0.00 O ATOM 0 H GLU A 622 -0.313 -8.149 2.590 1.00 0.00 H new ATOM 0 HA GLU A 622 1.457 -6.434 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 622 2.992 -8.288 3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 622 1.386 -8.855 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 622 1.070 -9.608 1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 622 2.705 -9.092 1.542 1.00 0.00 H new ATOM 175 N TRP A 623 3.359 -5.759 2.507 1.00 0.00 N ATOM 176 CA TRP A 623 4.372 -5.016 1.768 1.00 0.00 C ATOM 177 C TRP A 623 5.236 -5.962 0.927 1.00 0.00 C ATOM 178 O TRP A 623 5.117 -7.185 1.030 1.00 0.00 O ATOM 179 CB TRP A 623 5.252 -4.284 2.796 1.00 0.00 C ATOM 180 CG TRP A 623 4.609 -3.114 3.469 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.998 -3.080 4.674 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.540 -1.760 2.957 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.567 -1.793 4.942 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.842 -0.940 3.891 1.00 0.00 C ATOM 185 CE3 TRP A 623 5.022 -1.153 1.786 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.576 0.418 3.636 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.797 0.207 1.553 1.00 0.00 C ATOM 188 CH2 TRP A 623 4.047 0.981 2.435 1.00 0.00 C ATOM 0 H TRP A 623 3.597 -5.823 3.497 1.00 0.00 H new ATOM 0 HA TRP A 623 3.894 -4.310 1.089 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.560 -4.998 3.560 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.158 -3.942 2.296 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.866 -3.929 5.329 1.00 0.00 H new ATOM 0 HE1 TRP A 623 3.105 -1.510 5.806 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.569 -1.739 1.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 3.023 1.015 4.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 5.214 0.668 0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.827 2.011 2.198 1.00 0.00 H new ATOM 199 N SER A 624 6.141 -5.406 0.123 1.00 0.00 N ATOM 200 CA SER A 624 7.055 -6.137 -0.744 1.00 0.00 C ATOM 201 C SER A 624 8.467 -5.574 -0.578 1.00 0.00 C ATOM 202 O SER A 624 8.725 -4.739 0.302 1.00 0.00 O ATOM 203 CB SER A 624 6.564 -6.014 -2.197 1.00 0.00 C ATOM 204 OG SER A 624 6.471 -7.304 -2.747 1.00 0.00 O ATOM 0 H SER A 624 6.260 -4.395 0.057 1.00 0.00 H new ATOM 0 HA SER A 624 7.081 -7.193 -0.477 1.00 0.00 H new ATOM 0 HB2 SER A 624 5.594 -5.518 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 624 7.253 -5.403 -2.779 1.00 0.00 H new ATOM 0 HG SER A 624 6.157 -7.243 -3.673 1.00 0.00 H new ATOM 210 N ASP A 625 9.414 -6.073 -1.377 1.00 0.00 N ATOM 211 CA ASP A 625 10.790 -5.587 -1.331 1.00 0.00 C ATOM 212 C ASP A 625 10.772 -4.134 -1.814 1.00 0.00 C ATOM 213 O ASP A 625 9.803 -3.694 -2.444 1.00 0.00 O ATOM 214 CB ASP A 625 11.732 -6.440 -2.189 1.00 0.00 C ATOM 215 CG ASP A 625 13.202 -6.039 -2.017 1.00 0.00 C ATOM 216 OD1 ASP A 625 13.562 -5.474 -0.953 1.00 0.00 O ATOM 217 OD2 ASP A 625 14.011 -6.351 -2.916 1.00 0.00 O ATOM 0 H ASP A 625 9.251 -6.812 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 625 11.172 -5.654 -0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.611 -7.490 -1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 625 11.452 -6.343 -3.238 1.00 0.00 H new ATOM 222 N CYS A 626 11.771 -3.339 -1.450 1.00 0.00 N ATOM 223 CA CYS A 626 11.817 -1.952 -1.873 1.00 0.00 C ATOM 224 C CYS A 626 12.090 -1.884 -3.376 1.00 0.00 C ATOM 225 O CYS A 626 12.621 -2.825 -3.964 1.00 0.00 O ATOM 226 CB CYS A 626 12.889 -1.218 -1.077 1.00 0.00 C ATOM 227 SG CYS A 626 12.831 0.571 -1.288 1.00 0.00 S ATOM 0 H CYS A 626 12.554 -3.632 -0.866 1.00 0.00 H new ATOM 0 HA CYS A 626 10.859 -1.468 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 626 12.774 -1.456 -0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 626 13.871 -1.581 -1.381 1.00 0.00 H new ATOM 232 N SER A 627 11.746 -0.758 -3.999 1.00 0.00 N ATOM 233 CA SER A 627 11.954 -0.543 -5.419 1.00 0.00 C ATOM 234 C SER A 627 13.464 -0.594 -5.718 1.00 0.00 C ATOM 235 O SER A 627 13.886 -1.243 -6.677 1.00 0.00 O ATOM 236 CB SER A 627 11.303 0.800 -5.780 1.00 0.00 C ATOM 237 OG SER A 627 11.061 0.952 -7.161 1.00 0.00 O ATOM 0 H SER A 627 11.312 0.033 -3.523 1.00 0.00 H new ATOM 0 HA SER A 627 11.493 -1.317 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 627 10.360 0.895 -5.241 1.00 0.00 H new ATOM 0 HB3 SER A 627 11.948 1.611 -5.440 1.00 0.00 H new ATOM 0 HG SER A 627 10.645 1.824 -7.326 1.00 0.00 H new ATOM 243 N VAL A 628 14.283 0.075 -4.899 1.00 0.00 N ATOM 244 CA VAL A 628 15.733 0.113 -5.057 1.00 0.00 C ATOM 245 C VAL A 628 16.375 -1.136 -4.437 1.00 0.00 C ATOM 246 O VAL A 628 15.783 -1.779 -3.572 1.00 0.00 O ATOM 247 CB VAL A 628 16.270 1.409 -4.401 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.515 1.261 -2.887 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.534 1.908 -5.114 1.00 0.00 C ATOM 0 H VAL A 628 13.948 0.611 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 628 15.992 0.116 -6.116 1.00 0.00 H new ATOM 0 HB VAL A 628 15.487 2.158 -4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 628 16.891 2.202 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.580 1.002 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.248 0.474 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 628 17.888 2.819 -4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.309 1.143 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.304 2.117 -6.159 1.00 0.00 H new ATOM 259 N THR A 629 17.626 -1.396 -4.804 1.00 0.00 N ATOM 260 CA THR A 629 18.444 -2.504 -4.334 1.00 0.00 C ATOM 261 C THR A 629 19.428 -2.068 -3.240 1.00 0.00 C ATOM 262 O THR A 629 19.853 -2.898 -2.438 1.00 0.00 O ATOM 263 CB THR A 629 19.233 -3.040 -5.545 1.00 0.00 C ATOM 264 OG1 THR A 629 19.762 -1.957 -6.304 1.00 0.00 O ATOM 265 CG2 THR A 629 18.371 -3.893 -6.477 1.00 0.00 C ATOM 0 H THR A 629 18.121 -0.806 -5.473 1.00 0.00 H new ATOM 0 HA THR A 629 17.798 -3.267 -3.901 1.00 0.00 H new ATOM 0 HB THR A 629 20.031 -3.663 -5.141 1.00 0.00 H new ATOM 0 HG1 THR A 629 20.528 -1.569 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 629 18.976 -4.244 -7.312 1.00 0.00 H new ATOM 0 HG22 THR A 629 17.979 -4.749 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.543 -3.294 -6.856 1.00 0.00 H new ATOM 273 N CYS A 630 19.821 -0.793 -3.199 1.00 0.00 N ATOM 274 CA CYS A 630 20.749 -0.227 -2.227 1.00 0.00 C ATOM 275 C CYS A 630 20.508 1.275 -2.116 1.00 0.00 C ATOM 276 O CYS A 630 20.057 1.900 -3.079 1.00 0.00 O ATOM 277 CB CYS A 630 22.210 -0.483 -2.616 1.00 0.00 C ATOM 278 SG CYS A 630 22.579 -0.682 -4.378 1.00 0.00 S ATOM 0 H CYS A 630 19.486 -0.102 -3.870 1.00 0.00 H new ATOM 0 HA CYS A 630 20.570 -0.713 -1.268 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.810 0.345 -2.237 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.544 -1.382 -2.098 1.00 0.00 H new ATOM 283 N GLY A 631 20.883 1.866 -0.986 1.00 0.00 N ATOM 284 CA GLY A 631 20.740 3.285 -0.718 1.00 0.00 C ATOM 285 C GLY A 631 19.282 3.744 -0.679 1.00 0.00 C ATOM 286 O GLY A 631 18.369 2.955 -0.433 1.00 0.00 O ATOM 0 H GLY A 631 21.306 1.353 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.214 3.518 0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.272 3.849 -1.484 1.00 0.00 H new ATOM 290 N LYS A 632 19.068 5.052 -0.868 1.00 0.00 N ATOM 291 CA LYS A 632 17.748 5.688 -0.846 1.00 0.00 C ATOM 292 C LYS A 632 16.755 4.966 -1.756 1.00 0.00 C ATOM 293 O LYS A 632 17.065 4.614 -2.899 1.00 0.00 O ATOM 294 CB LYS A 632 17.873 7.188 -1.179 1.00 0.00 C ATOM 295 CG LYS A 632 18.309 7.462 -2.628 1.00 0.00 C ATOM 296 CD LYS A 632 17.306 8.239 -3.489 1.00 0.00 C ATOM 297 CE LYS A 632 15.904 7.611 -3.520 1.00 0.00 C ATOM 298 NZ LYS A 632 15.083 8.157 -4.614 1.00 0.00 N ATOM 0 H LYS A 632 19.826 5.711 -1.044 1.00 0.00 H new ATOM 0 HA LYS A 632 17.343 5.607 0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 632 16.913 7.673 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 632 18.593 7.644 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 632 19.247 8.016 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 632 18.513 6.508 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 632 17.230 9.259 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 632 17.688 8.304 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 632 15.992 6.531 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 632 15.405 7.789 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 14.145 7.708 -4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 14.977 9.184 -4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 15.546 7.965 -5.525 1.00 0.00 H new ATOM 312 N GLY A 633 15.510 4.871 -1.316 1.00 0.00 N ATOM 313 CA GLY A 633 14.452 4.196 -2.043 1.00 0.00 C ATOM 314 C GLY A 633 13.081 4.383 -1.396 1.00 0.00 C ATOM 315 O GLY A 633 12.903 5.158 -0.458 1.00 0.00 O ATOM 0 H GLY A 633 15.204 5.268 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.421 4.573 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.679 3.132 -2.102 1.00 0.00 H new ATOM 319 N MET A 634 12.078 3.689 -1.930 1.00 0.00 N ATOM 320 CA MET A 634 10.705 3.693 -1.443 1.00 0.00 C ATOM 321 C MET A 634 10.082 2.342 -1.779 1.00 0.00 C ATOM 322 O MET A 634 10.422 1.731 -2.797 1.00 0.00 O ATOM 323 CB MET A 634 9.855 4.799 -2.091 1.00 0.00 C ATOM 324 CG MET A 634 10.211 6.208 -1.603 1.00 0.00 C ATOM 325 SD MET A 634 8.867 7.425 -1.709 1.00 0.00 S ATOM 326 CE MET A 634 7.838 6.898 -0.313 1.00 0.00 C ATOM 0 H MET A 634 12.207 3.087 -2.743 1.00 0.00 H new ATOM 0 HA MET A 634 10.726 3.879 -0.369 1.00 0.00 H new ATOM 0 HB2 MET A 634 9.980 4.755 -3.173 1.00 0.00 H new ATOM 0 HB3 MET A 634 8.802 4.606 -1.883 1.00 0.00 H new ATOM 0 HG2 MET A 634 10.541 6.144 -0.566 1.00 0.00 H new ATOM 0 HG3 MET A 634 11.057 6.574 -2.184 1.00 0.00 H new ATOM 0 HE1 MET A 634 6.914 7.477 -0.303 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.601 5.839 -0.415 1.00 0.00 H new ATOM 0 HE3 MET A 634 8.379 7.061 0.619 1.00 0.00 H new ATOM 336 N ARG A 635 9.235 1.838 -0.885 1.00 0.00 N ATOM 337 CA ARG A 635 8.507 0.579 -1.055 1.00 0.00 C ATOM 338 C ARG A 635 7.035 0.955 -1.195 1.00 0.00 C ATOM 339 O ARG A 635 6.665 2.079 -0.832 1.00 0.00 O ATOM 340 CB ARG A 635 8.741 -0.393 0.116 1.00 0.00 C ATOM 341 CG ARG A 635 8.427 0.186 1.491 1.00 0.00 C ATOM 342 CD ARG A 635 8.392 -0.911 2.557 1.00 0.00 C ATOM 343 NE ARG A 635 7.735 -0.403 3.765 1.00 0.00 N ATOM 344 CZ ARG A 635 7.275 -1.129 4.790 1.00 0.00 C ATOM 345 NH1 ARG A 635 7.558 -2.421 4.887 1.00 0.00 N ATOM 346 NH2 ARG A 635 6.528 -0.575 5.737 1.00 0.00 N ATOM 0 H ARG A 635 9.030 2.303 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 635 8.862 0.045 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 635 8.129 -1.282 -0.038 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.782 -0.716 0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 635 9.178 0.930 1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.466 0.699 1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.857 -1.782 2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 635 9.405 -1.236 2.792 1.00 0.00 H new ATOM 0 HE ARG A 635 7.616 0.608 3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 635 8.133 -2.872 4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 635 7.201 -2.964 5.674 1.00 0.00 H new ATOM 0 HH21 ARG A 635 6.297 0.417 5.689 1.00 0.00 H new ATOM 0 HH22 ARG A 635 6.185 -1.142 6.512 1.00 0.00 H new ATOM 360 N THR A 636 6.190 0.049 -1.671 1.00 0.00 N ATOM 361 CA THR A 636 4.765 0.313 -1.841 1.00 0.00 C ATOM 362 C THR A 636 3.947 -0.943 -1.547 1.00 0.00 C ATOM 363 O THR A 636 4.487 -2.051 -1.490 1.00 0.00 O ATOM 364 CB THR A 636 4.479 0.813 -3.262 1.00 0.00 C ATOM 365 OG1 THR A 636 4.925 -0.135 -4.208 1.00 0.00 O ATOM 366 CG2 THR A 636 5.152 2.138 -3.624 1.00 0.00 C ATOM 0 H THR A 636 6.473 -0.890 -1.950 1.00 0.00 H new ATOM 0 HA THR A 636 4.473 1.089 -1.133 1.00 0.00 H new ATOM 0 HB THR A 636 3.400 0.964 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 636 4.737 0.192 -5.112 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.892 2.411 -4.647 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.811 2.917 -2.943 1.00 0.00 H new ATOM 0 HG23 THR A 636 6.234 2.031 -3.541 1.00 0.00 H new ATOM 374 N ARG A 637 2.647 -0.777 -1.312 1.00 0.00 N ATOM 375 CA ARG A 637 1.715 -1.865 -1.067 1.00 0.00 C ATOM 376 C ARG A 637 0.349 -1.413 -1.531 1.00 0.00 C ATOM 377 O ARG A 637 0.052 -0.215 -1.488 1.00 0.00 O ATOM 378 CB ARG A 637 1.681 -2.340 0.394 1.00 0.00 C ATOM 379 CG ARG A 637 1.183 -1.361 1.475 1.00 0.00 C ATOM 380 CD ARG A 637 0.601 -2.189 2.626 1.00 0.00 C ATOM 381 NE ARG A 637 0.516 -1.509 3.927 1.00 0.00 N ATOM 382 CZ ARG A 637 0.269 -2.173 5.068 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.022 -3.481 5.058 1.00 0.00 N ATOM 384 NH2 ARG A 637 0.267 -1.528 6.225 1.00 0.00 N ATOM 0 H ARG A 637 2.206 0.142 -1.287 1.00 0.00 H new ATOM 0 HA ARG A 637 2.051 -2.737 -1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.053 -3.230 0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.691 -2.648 0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 637 2.002 -0.736 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.426 -0.692 1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.399 -2.516 2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.208 -3.086 2.746 1.00 0.00 H new ATOM 0 HE ARG A 637 0.649 -0.498 3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.019 -3.993 4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.164 -3.972 5.933 1.00 0.00 H new ATOM 0 HH21 ARG A 637 0.453 -0.525 6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 637 0.079 -2.034 7.091 1.00 0.00 H new ATOM 398 N GLN A 638 -0.487 -2.366 -1.926 1.00 0.00 N ATOM 399 CA GLN A 638 -1.835 -2.093 -2.377 1.00 0.00 C ATOM 400 C GLN A 638 -2.818 -3.104 -1.779 1.00 0.00 C ATOM 401 O GLN A 638 -2.432 -4.027 -1.047 1.00 0.00 O ATOM 402 CB GLN A 638 -1.903 -1.954 -3.914 1.00 0.00 C ATOM 403 CG GLN A 638 -1.404 -3.168 -4.708 1.00 0.00 C ATOM 404 CD GLN A 638 -1.813 -3.065 -6.180 1.00 0.00 C ATOM 405 OE1 GLN A 638 -2.854 -3.574 -6.593 1.00 0.00 O ATOM 406 NE2 GLN A 638 -1.042 -2.397 -7.011 1.00 0.00 N ATOM 0 H GLN A 638 -0.241 -3.356 -1.940 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.150 -1.120 -2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.936 -1.755 -4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.318 -1.083 -4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -0.319 -3.236 -4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -1.812 -4.082 -4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -0.178 -1.972 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -1.309 -2.304 -7.991 1.00 0.00 H new ATOM 415 N ARG A 639 -4.105 -2.889 -2.038 1.00 0.00 N ATOM 416 CA ARG A 639 -5.236 -3.700 -1.597 1.00 0.00 C ATOM 417 C ARG A 639 -6.342 -3.616 -2.657 1.00 0.00 C ATOM 418 O ARG A 639 -6.121 -3.021 -3.710 1.00 0.00 O ATOM 419 CB ARG A 639 -5.677 -3.242 -0.194 1.00 0.00 C ATOM 420 CG ARG A 639 -6.046 -1.755 -0.095 1.00 0.00 C ATOM 421 CD ARG A 639 -6.754 -1.477 1.232 1.00 0.00 C ATOM 422 NE ARG A 639 -7.115 -0.059 1.381 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.823 0.452 2.392 1.00 0.00 C ATOM 424 NH1 ARG A 639 -8.306 -0.329 3.352 1.00 0.00 N ATOM 425 NH2 ARG A 639 -8.053 1.753 2.420 1.00 0.00 N ATOM 0 H ARG A 639 -4.405 -2.091 -2.598 1.00 0.00 H new ATOM 0 HA ARG A 639 -4.967 -4.752 -1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.536 -3.838 0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.873 -3.451 0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.147 -1.143 -0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.693 -1.477 -0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.654 -2.088 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.106 -1.774 2.057 1.00 0.00 H new ATOM 0 HE ARG A 639 -6.800 0.585 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -8.138 -1.335 3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -8.845 0.077 4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.692 2.351 1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -8.592 2.159 3.185 1.00 0.00 H new ATOM 439 N MET A 640 -7.510 -4.219 -2.424 1.00 0.00 N ATOM 440 CA MET A 640 -8.643 -4.206 -3.359 1.00 0.00 C ATOM 441 C MET A 640 -9.934 -4.065 -2.561 1.00 0.00 C ATOM 442 O MET A 640 -9.981 -4.478 -1.401 1.00 0.00 O ATOM 443 CB MET A 640 -8.683 -5.517 -4.168 1.00 0.00 C ATOM 444 CG MET A 640 -7.387 -5.805 -4.935 1.00 0.00 C ATOM 445 SD MET A 640 -7.341 -7.359 -5.869 1.00 0.00 S ATOM 446 CE MET A 640 -8.368 -6.938 -7.297 1.00 0.00 C ATOM 0 H MET A 640 -7.701 -4.739 -1.567 1.00 0.00 H new ATOM 0 HA MET A 640 -8.532 -3.371 -4.050 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.886 -6.346 -3.490 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.511 -5.473 -4.875 1.00 0.00 H new ATOM 0 HG2 MET A 640 -7.209 -4.983 -5.628 1.00 0.00 H new ATOM 0 HG3 MET A 640 -6.561 -5.808 -4.224 1.00 0.00 H new ATOM 0 HE1 MET A 640 -8.433 -7.797 -7.964 1.00 0.00 H new ATOM 0 HE2 MET A 640 -9.367 -6.664 -6.958 1.00 0.00 H new ATOM 0 HE3 MET A 640 -7.923 -6.098 -7.830 1.00 0.00 H new ATOM 456 N LEU A 641 -10.982 -3.464 -3.126 1.00 0.00 N ATOM 457 CA LEU A 641 -12.244 -3.330 -2.396 1.00 0.00 C ATOM 458 C LEU A 641 -12.903 -4.714 -2.262 1.00 0.00 C ATOM 459 O LEU A 641 -12.575 -5.646 -3.000 1.00 0.00 O ATOM 460 CB LEU A 641 -13.133 -2.235 -3.008 1.00 0.00 C ATOM 461 CG LEU A 641 -14.135 -2.667 -4.096 1.00 0.00 C ATOM 462 CD1 LEU A 641 -14.977 -1.460 -4.520 1.00 0.00 C ATOM 463 CD2 LEU A 641 -13.436 -3.237 -5.329 1.00 0.00 C ATOM 0 H LEU A 641 -10.985 -3.070 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 641 -12.063 -2.980 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -13.694 -1.765 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.483 -1.470 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.763 -3.450 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -15.686 -1.764 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -15.520 -1.074 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -14.324 -0.682 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -14.182 -3.528 -6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -12.777 -2.481 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -12.849 -4.110 -5.043 1.00 0.00 H new ATOM 475 N LYS A 642 -13.841 -4.863 -1.329 1.00 0.00 N ATOM 476 CA LYS A 642 -14.558 -6.113 -1.041 1.00 0.00 C ATOM 477 C LYS A 642 -16.058 -6.010 -1.319 1.00 0.00 C ATOM 478 O LYS A 642 -16.831 -6.897 -0.927 1.00 0.00 O ATOM 479 CB LYS A 642 -14.295 -6.488 0.427 1.00 0.00 C ATOM 480 CG LYS A 642 -12.817 -6.707 0.777 1.00 0.00 C ATOM 481 CD LYS A 642 -12.072 -7.735 -0.097 1.00 0.00 C ATOM 482 CE LYS A 642 -12.763 -9.097 -0.187 1.00 0.00 C ATOM 483 NZ LYS A 642 -12.450 -9.943 0.984 1.00 0.00 N ATOM 0 H LYS A 642 -14.136 -4.093 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 642 -14.186 -6.891 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -14.693 -5.700 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.848 -7.398 0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -12.299 -5.751 0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -12.752 -7.026 1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -11.962 -7.329 -1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -11.068 -7.875 0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -13.841 -8.955 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -12.449 -9.606 -1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -12.935 -10.858 0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -11.423 -10.098 1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -12.772 -9.468 1.851 1.00 0.00 H new ATOM 497 N SER A 643 -16.468 -4.893 -1.911 1.00 0.00 N ATOM 498 CA SER A 643 -17.828 -4.572 -2.265 1.00 0.00 C ATOM 499 C SER A 643 -18.357 -5.536 -3.320 1.00 0.00 C ATOM 500 O SER A 643 -17.583 -6.093 -4.098 1.00 0.00 O ATOM 501 CB SER A 643 -17.812 -3.158 -2.857 1.00 0.00 C ATOM 502 OG SER A 643 -17.100 -2.258 -2.029 1.00 0.00 O ATOM 0 H SER A 643 -15.816 -4.152 -2.167 1.00 0.00 H new ATOM 0 HA SER A 643 -18.468 -4.643 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 643 -17.356 -3.182 -3.847 1.00 0.00 H new ATOM 0 HB3 SER A 643 -18.835 -2.804 -2.986 1.00 0.00 H new ATOM 0 HG SER A 643 -17.484 -1.360 -2.116 1.00 0.00 H new ATOM 508 N LEU A 644 -19.675 -5.749 -3.354 1.00 0.00 N ATOM 509 CA LEU A 644 -20.283 -6.617 -4.362 1.00 0.00 C ATOM 510 C LEU A 644 -20.503 -5.817 -5.649 1.00 0.00 C ATOM 511 O LEU A 644 -20.752 -6.394 -6.704 1.00 0.00 O ATOM 512 CB LEU A 644 -21.600 -7.244 -3.879 1.00 0.00 C ATOM 513 CG LEU A 644 -22.847 -6.334 -3.921 1.00 0.00 C ATOM 514 CD1 LEU A 644 -24.086 -7.149 -3.557 1.00 0.00 C ATOM 515 CD2 LEU A 644 -22.767 -5.147 -2.964 1.00 0.00 C ATOM 0 H LEU A 644 -20.337 -5.334 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 644 -19.599 -7.444 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -21.801 -8.128 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -21.460 -7.586 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 644 -22.902 -5.941 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -24.966 -6.506 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -24.208 -7.964 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -23.970 -7.559 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -23.676 -4.551 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -22.663 -5.510 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -21.905 -4.531 -3.220 1.00 0.00 H new ATOM 527 N ALA A 645 -20.464 -4.491 -5.558 1.00 0.00 N ATOM 528 CA ALA A 645 -20.640 -3.536 -6.630 1.00 0.00 C ATOM 529 C ALA A 645 -19.573 -2.467 -6.408 1.00 0.00 C ATOM 530 O ALA A 645 -19.193 -2.193 -5.269 1.00 0.00 O ATOM 531 CB ALA A 645 -22.059 -2.952 -6.557 1.00 0.00 C ATOM 0 H ALA A 645 -20.296 -4.029 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 645 -20.531 -3.981 -7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -22.198 -2.231 -7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -22.789 -3.755 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -22.199 -2.455 -5.597 1.00 0.00 H new ATOM 537 N GLU A 646 -19.089 -1.866 -7.476 1.00 0.00 N ATOM 538 CA GLU A 646 -18.072 -0.836 -7.496 1.00 0.00 C ATOM 539 C GLU A 646 -18.670 0.424 -6.888 1.00 0.00 C ATOM 540 O GLU A 646 -19.451 1.139 -7.523 1.00 0.00 O ATOM 541 CB GLU A 646 -17.603 -0.663 -8.935 1.00 0.00 C ATOM 542 CG GLU A 646 -16.405 0.272 -9.069 1.00 0.00 C ATOM 543 CD GLU A 646 -15.921 0.325 -10.519 1.00 0.00 C ATOM 544 OE1 GLU A 646 -15.553 -0.739 -11.074 1.00 0.00 O ATOM 545 OE2 GLU A 646 -15.897 1.433 -11.109 1.00 0.00 O ATOM 0 H GLU A 646 -19.417 -2.100 -8.413 1.00 0.00 H new ATOM 0 HA GLU A 646 -17.194 -1.093 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -17.342 -1.639 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -18.427 -0.276 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -16.679 1.273 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -15.597 -0.070 -8.423 1.00 0.00 H new ATOM 552 N LEU A 647 -18.402 0.616 -5.604 1.00 0.00 N ATOM 553 CA LEU A 647 -18.864 1.757 -4.826 1.00 0.00 C ATOM 554 C LEU A 647 -17.998 2.974 -5.171 1.00 0.00 C ATOM 555 O LEU A 647 -17.017 2.845 -5.906 1.00 0.00 O ATOM 556 CB LEU A 647 -18.947 1.364 -3.332 1.00 0.00 C ATOM 557 CG LEU A 647 -18.010 2.042 -2.310 1.00 0.00 C ATOM 558 CD1 LEU A 647 -18.469 1.683 -0.893 1.00 0.00 C ATOM 559 CD2 LEU A 647 -16.546 1.613 -2.473 1.00 0.00 C ATOM 0 H LEU A 647 -17.840 -0.038 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 647 -19.881 2.056 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -19.971 1.544 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -18.776 0.289 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 647 -18.064 3.116 -2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -17.811 2.159 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -19.490 2.033 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -18.433 0.602 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -15.933 2.121 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -16.465 0.535 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -16.198 1.878 -3.471 1.00 0.00 H new ATOM 571 N GLY A 648 -18.355 4.161 -4.685 1.00 0.00 N ATOM 572 CA GLY A 648 -17.573 5.354 -4.981 1.00 0.00 C ATOM 573 C GLY A 648 -17.941 6.567 -4.148 1.00 0.00 C ATOM 574 O GLY A 648 -17.560 7.678 -4.513 1.00 0.00 O ATOM 0 H GLY A 648 -19.170 4.319 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -16.518 5.129 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -17.696 5.602 -6.035 1.00 0.00 H new ATOM 578 N ASP A 649 -18.757 6.411 -3.105 1.00 0.00 N ATOM 579 CA ASP A 649 -19.126 7.536 -2.248 1.00 0.00 C ATOM 580 C ASP A 649 -18.019 7.832 -1.239 1.00 0.00 C ATOM 581 O ASP A 649 -17.982 8.927 -0.681 1.00 0.00 O ATOM 582 CB ASP A 649 -20.431 7.260 -1.508 1.00 0.00 C ATOM 583 CG ASP A 649 -20.381 6.062 -0.565 1.00 0.00 C ATOM 584 OD1 ASP A 649 -20.746 4.963 -1.047 1.00 0.00 O ATOM 585 OD2 ASP A 649 -20.092 6.261 0.635 1.00 0.00 O ATOM 0 H ASP A 649 -19.173 5.520 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 649 -19.266 8.405 -2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -20.704 8.146 -0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -21.222 7.098 -2.240 1.00 0.00 H new ATOM 590 N CYS A 650 -17.110 6.880 -1.031 1.00 0.00 N ATOM 591 CA CYS A 650 -15.995 6.980 -0.112 1.00 0.00 C ATOM 592 C CYS A 650 -14.794 7.675 -0.759 1.00 0.00 C ATOM 593 O CYS A 650 -14.733 7.824 -1.985 1.00 0.00 O ATOM 594 CB CYS A 650 -15.642 5.573 0.347 1.00 0.00 C ATOM 595 SG CYS A 650 -16.988 4.739 1.219 1.00 0.00 S ATOM 0 H CYS A 650 -17.138 5.986 -1.521 1.00 0.00 H new ATOM 0 HA CYS A 650 -16.275 7.593 0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -15.358 4.977 -0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -14.771 5.621 1.001 1.00 0.00 H new ATOM 600 N ASN A 651 -13.813 8.072 0.061 1.00 0.00 N ATOM 601 CA ASN A 651 -12.610 8.768 -0.396 1.00 0.00 C ATOM 602 C ASN A 651 -11.339 8.270 0.305 1.00 0.00 C ATOM 603 O ASN A 651 -10.632 9.046 0.948 1.00 0.00 O ATOM 604 CB ASN A 651 -12.818 10.287 -0.251 1.00 0.00 C ATOM 605 CG ASN A 651 -11.851 11.078 -1.118 1.00 0.00 C ATOM 606 OD1 ASN A 651 -12.187 11.443 -2.242 1.00 0.00 O ATOM 607 ND2 ASN A 651 -10.658 11.382 -0.648 1.00 0.00 N ATOM 0 H ASN A 651 -13.835 7.916 1.069 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.452 8.541 -1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -13.842 10.541 -0.525 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -12.687 10.573 0.793 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -10.008 11.923 -1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -10.385 11.076 0.286 1.00 0.00 H new ATOM 614 N GLU A 652 -11.089 6.960 0.281 1.00 0.00 N ATOM 615 CA GLU A 652 -9.889 6.351 0.870 1.00 0.00 C ATOM 616 C GLU A 652 -8.863 6.090 -0.245 1.00 0.00 C ATOM 617 O GLU A 652 -8.920 6.711 -1.311 1.00 0.00 O ATOM 618 CB GLU A 652 -10.215 5.075 1.663 1.00 0.00 C ATOM 619 CG GLU A 652 -10.845 3.976 0.804 1.00 0.00 C ATOM 620 CD GLU A 652 -12.320 4.272 0.554 1.00 0.00 C ATOM 621 OE1 GLU A 652 -13.076 4.245 1.547 1.00 0.00 O ATOM 622 OE2 GLU A 652 -12.674 4.656 -0.585 1.00 0.00 O ATOM 0 H GLU A 652 -11.718 6.283 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 652 -9.460 7.045 1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -9.300 4.693 2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -10.895 5.325 2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -10.317 3.902 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -10.741 3.012 1.302 1.00 0.00 H new ATOM 629 N ASP A 653 -7.902 5.195 0.003 1.00 0.00 N ATOM 630 CA ASP A 653 -6.845 4.828 -0.924 1.00 0.00 C ATOM 631 C ASP A 653 -6.697 3.313 -0.981 1.00 0.00 C ATOM 632 O ASP A 653 -6.993 2.619 -0.001 1.00 0.00 O ATOM 633 CB ASP A 653 -5.505 5.433 -0.459 1.00 0.00 C ATOM 634 CG ASP A 653 -5.596 6.863 0.066 1.00 0.00 C ATOM 635 OD1 ASP A 653 -5.774 7.811 -0.735 1.00 0.00 O ATOM 636 OD2 ASP A 653 -5.487 7.044 1.303 1.00 0.00 O ATOM 0 H ASP A 653 -7.843 4.692 0.889 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.106 5.210 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.089 4.799 0.324 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -4.804 5.411 -1.293 1.00 0.00 H new ATOM 641 N LEU A 654 -6.187 2.801 -2.104 1.00 0.00 N ATOM 642 CA LEU A 654 -5.939 1.382 -2.347 1.00 0.00 C ATOM 643 C LEU A 654 -4.441 1.120 -2.537 1.00 0.00 C ATOM 644 O LEU A 654 -4.059 -0.045 -2.491 1.00 0.00 O ATOM 645 CB LEU A 654 -6.772 0.814 -3.513 1.00 0.00 C ATOM 646 CG LEU A 654 -8.303 0.832 -3.311 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.978 0.334 -4.590 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.781 -0.051 -2.146 1.00 0.00 C ATOM 0 H LEU A 654 -5.927 3.387 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.271 0.845 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.536 1.380 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.459 -0.215 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.573 1.861 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -10.060 0.343 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.709 0.986 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.647 -0.682 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.866 0.011 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.490 -1.085 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.327 0.294 -1.217 1.00 0.00 H new ATOM 660 N GLU A 655 -3.592 2.151 -2.674 1.00 0.00 N ATOM 661 CA GLU A 655 -2.132 2.079 -2.819 1.00 0.00 C ATOM 662 C GLU A 655 -1.508 3.076 -1.826 1.00 0.00 C ATOM 663 O GLU A 655 -2.057 4.158 -1.595 1.00 0.00 O ATOM 664 CB GLU A 655 -1.646 2.374 -4.263 1.00 0.00 C ATOM 665 CG GLU A 655 -0.136 2.716 -4.285 1.00 0.00 C ATOM 666 CD GLU A 655 0.520 2.808 -5.660 1.00 0.00 C ATOM 667 OE1 GLU A 655 0.134 3.630 -6.515 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.524 2.094 -5.881 1.00 0.00 O ATOM 0 H GLU A 655 -3.928 3.114 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 655 -1.815 1.058 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -1.835 1.508 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.216 3.205 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.006 3.669 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.394 1.961 -3.704 1.00 0.00 H new ATOM 675 N GLN A 656 -0.373 2.712 -1.224 1.00 0.00 N ATOM 676 CA GLN A 656 0.388 3.537 -0.296 1.00 0.00 C ATOM 677 C GLN A 656 1.876 3.248 -0.496 1.00 0.00 C ATOM 678 O GLN A 656 2.256 2.146 -0.900 1.00 0.00 O ATOM 679 CB GLN A 656 -0.032 3.318 1.166 1.00 0.00 C ATOM 680 CG GLN A 656 -1.145 4.300 1.558 1.00 0.00 C ATOM 681 CD GLN A 656 -1.279 4.426 3.068 1.00 0.00 C ATOM 682 OE1 GLN A 656 -0.533 5.182 3.690 1.00 0.00 O ATOM 683 NE2 GLN A 656 -2.189 3.700 3.693 1.00 0.00 N ATOM 0 H GLN A 656 0.053 1.798 -1.379 1.00 0.00 H new ATOM 0 HA GLN A 656 0.181 4.586 -0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.378 2.293 1.302 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.828 3.453 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -0.934 5.279 1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -2.092 3.964 1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -2.799 3.079 3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -2.282 3.761 4.707 1.00 0.00 H new ATOM 692 N ALA A 657 2.716 4.233 -0.160 1.00 0.00 N ATOM 693 CA ALA A 657 4.169 4.167 -0.280 1.00 0.00 C ATOM 694 C ALA A 657 4.839 4.557 1.035 1.00 0.00 C ATOM 695 O ALA A 657 4.357 5.449 1.740 1.00 0.00 O ATOM 696 CB ALA A 657 4.637 5.096 -1.404 1.00 0.00 C ATOM 0 H ALA A 657 2.389 5.124 0.214 1.00 0.00 H new ATOM 0 HA ALA A 657 4.453 3.142 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.722 5.044 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 657 4.183 4.786 -2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 657 4.340 6.120 -1.177 1.00 0.00 H new ATOM 702 N GLU A 658 5.979 3.937 1.336 1.00 0.00 N ATOM 703 CA GLU A 658 6.780 4.152 2.540 1.00 0.00 C ATOM 704 C GLU A 658 8.231 4.410 2.139 1.00 0.00 C ATOM 705 O GLU A 658 8.706 3.883 1.129 1.00 0.00 O ATOM 706 CB GLU A 658 6.663 2.926 3.449 1.00 0.00 C ATOM 707 CG GLU A 658 7.509 2.973 4.724 1.00 0.00 C ATOM 708 CD GLU A 658 7.170 4.122 5.665 1.00 0.00 C ATOM 709 OE1 GLU A 658 6.020 4.185 6.148 1.00 0.00 O ATOM 710 OE2 GLU A 658 8.068 4.939 5.966 1.00 0.00 O ATOM 0 H GLU A 658 6.389 3.237 0.717 1.00 0.00 H new ATOM 0 HA GLU A 658 6.417 5.021 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.617 2.802 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.946 2.042 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 658 7.387 2.032 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 658 8.560 3.047 4.445 1.00 0.00 H new ATOM 717 N LYS A 659 8.934 5.243 2.909 1.00 0.00 N ATOM 718 CA LYS A 659 10.333 5.557 2.642 1.00 0.00 C ATOM 719 C LYS A 659 11.174 4.323 2.935 1.00 0.00 C ATOM 720 O LYS A 659 10.834 3.538 3.821 1.00 0.00 O ATOM 721 CB LYS A 659 10.807 6.716 3.523 1.00 0.00 C ATOM 722 CG LYS A 659 9.937 7.964 3.343 1.00 0.00 C ATOM 723 CD LYS A 659 10.650 9.179 3.943 1.00 0.00 C ATOM 724 CE LYS A 659 9.801 10.454 3.889 1.00 0.00 C ATOM 725 NZ LYS A 659 8.817 10.556 4.983 1.00 0.00 N ATOM 0 H LYS A 659 8.550 5.714 3.728 1.00 0.00 H new ATOM 0 HA LYS A 659 10.439 5.852 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 659 10.788 6.408 4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 659 11.842 6.957 3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 659 9.739 8.132 2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 659 8.972 7.820 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 659 10.911 8.966 4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 659 11.584 9.347 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 659 10.461 11.321 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 659 9.276 10.490 2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 8.279 11.441 4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 8.165 9.747 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 9.313 10.552 5.897 1.00 0.00 H new ATOM 739 N CYS A 660 12.268 4.131 2.218 1.00 0.00 N ATOM 740 CA CYS A 660 13.139 2.993 2.432 1.00 0.00 C ATOM 741 C CYS A 660 14.570 3.437 2.146 1.00 0.00 C ATOM 742 O CYS A 660 14.810 4.392 1.404 1.00 0.00 O ATOM 743 CB CYS A 660 12.670 1.835 1.525 1.00 0.00 C ATOM 744 SG CYS A 660 13.876 1.355 0.249 1.00 0.00 S ATOM 0 H CYS A 660 12.575 4.758 1.474 1.00 0.00 H new ATOM 0 HA CYS A 660 13.102 2.630 3.459 1.00 0.00 H new ATOM 0 HB2 CYS A 660 12.450 0.967 2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.738 2.123 1.039 1.00 0.00 H new ATOM 749 N MET A 661 15.531 2.761 2.754 1.00 0.00 N ATOM 750 CA MET A 661 16.935 3.032 2.558 1.00 0.00 C ATOM 751 C MET A 661 17.619 1.685 2.680 1.00 0.00 C ATOM 752 O MET A 661 17.885 1.221 3.796 1.00 0.00 O ATOM 753 CB MET A 661 17.547 4.043 3.540 1.00 0.00 C ATOM 754 CG MET A 661 16.989 5.479 3.531 1.00 0.00 C ATOM 755 SD MET A 661 15.350 5.829 4.243 1.00 0.00 S ATOM 756 CE MET A 661 15.531 5.111 5.890 1.00 0.00 C ATOM 0 H MET A 661 15.349 1.998 3.406 1.00 0.00 H new ATOM 0 HA MET A 661 17.075 3.507 1.587 1.00 0.00 H new ATOM 0 HB2 MET A 661 17.430 3.644 4.548 1.00 0.00 H new ATOM 0 HB3 MET A 661 18.617 4.098 3.341 1.00 0.00 H new ATOM 0 HG2 MET A 661 17.709 6.109 4.053 1.00 0.00 H new ATOM 0 HG3 MET A 661 16.968 5.811 2.493 1.00 0.00 H new ATOM 0 HE1 MET A 661 14.708 5.442 6.524 1.00 0.00 H new ATOM 0 HE2 MET A 661 15.518 4.024 5.816 1.00 0.00 H new ATOM 0 HE3 MET A 661 16.477 5.434 6.326 1.00 0.00 H new ATOM 766 N LEU A 662 17.796 0.993 1.555 1.00 0.00 N ATOM 767 CA LEU A 662 18.498 -0.290 1.597 1.00 0.00 C ATOM 768 C LEU A 662 19.960 0.035 1.979 1.00 0.00 C ATOM 769 O LEU A 662 20.359 1.207 1.927 1.00 0.00 O ATOM 770 CB LEU A 662 18.435 -1.008 0.230 1.00 0.00 C ATOM 771 CG LEU A 662 17.325 -2.043 -0.021 1.00 0.00 C ATOM 772 CD1 LEU A 662 17.549 -3.348 0.745 1.00 0.00 C ATOM 773 CD2 LEU A 662 15.939 -1.499 0.284 1.00 0.00 C ATOM 0 H LEU A 662 17.475 1.286 0.632 1.00 0.00 H new ATOM 0 HA LEU A 662 18.037 -0.964 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.350 -0.241 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.391 -1.508 0.077 1.00 0.00 H new ATOM 0 HG LEU A 662 17.379 -2.262 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 662 16.735 -4.041 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 662 18.495 -3.793 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 662 17.576 -3.142 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.194 -2.271 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 662 15.888 -1.201 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 662 15.740 -0.635 -0.350 1.00 0.00 H new ATOM 785 N PRO A 663 20.785 -0.948 2.368 1.00 0.00 N ATOM 786 CA PRO A 663 22.171 -0.684 2.720 1.00 0.00 C ATOM 787 C PRO A 663 22.960 -0.249 1.479 1.00 0.00 C ATOM 788 O PRO A 663 22.416 -0.168 0.374 1.00 0.00 O ATOM 789 CB PRO A 663 22.682 -1.997 3.325 1.00 0.00 C ATOM 790 CG PRO A 663 21.832 -3.064 2.645 1.00 0.00 C ATOM 791 CD PRO A 663 20.485 -2.364 2.487 1.00 0.00 C ATOM 0 HA PRO A 663 22.285 0.134 3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.743 -2.143 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.556 -2.015 4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.249 -3.363 1.683 1.00 0.00 H new ATOM 0 HG3 PRO A 663 21.752 -3.966 3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 663 19.957 -2.727 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.842 -2.556 3.346 1.00 0.00 H new ATOM 799 N GLU A 664 24.223 0.134 1.645 1.00 0.00 N ATOM 800 CA GLU A 664 25.035 0.526 0.494 1.00 0.00 C ATOM 801 C GLU A 664 25.207 -0.692 -0.413 1.00 0.00 C ATOM 802 O GLU A 664 25.192 -1.828 0.061 1.00 0.00 O ATOM 803 CB GLU A 664 26.367 1.148 0.913 1.00 0.00 C ATOM 804 CG GLU A 664 27.176 0.375 1.972 1.00 0.00 C ATOM 805 CD GLU A 664 27.316 1.173 3.279 1.00 0.00 C ATOM 806 OE1 GLU A 664 27.467 2.414 3.225 1.00 0.00 O ATOM 807 OE2 GLU A 664 27.159 0.577 4.373 1.00 0.00 O ATOM 0 H GLU A 664 24.700 0.182 2.545 1.00 0.00 H new ATOM 0 HA GLU A 664 24.524 1.311 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.987 1.261 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 664 26.172 2.150 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.688 -0.577 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 664 28.166 0.147 1.578 1.00 0.00 H new ATOM 814 N CYS A 665 25.341 -0.443 -1.714 1.00 0.00 N ATOM 815 CA CYS A 665 25.492 -1.468 -2.736 1.00 0.00 C ATOM 816 C CYS A 665 26.729 -2.333 -2.462 1.00 0.00 C ATOM 817 O CYS A 665 27.839 -1.801 -2.602 1.00 0.00 O ATOM 818 CB CYS A 665 25.596 -0.809 -4.117 1.00 0.00 C ATOM 819 SG CYS A 665 24.301 0.366 -4.588 1.00 0.00 S ATOM 0 H CYS A 665 25.347 0.504 -2.093 1.00 0.00 H new ATOM 0 HA CYS A 665 24.616 -2.116 -2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 665 26.554 -0.292 -4.171 1.00 0.00 H new ATOM 0 HB3 CYS A 665 25.619 -1.601 -4.866 1.00 0.00 H new ATOM 824 N PRO A 666 26.580 -3.610 -2.067 1.00 0.00 N ATOM 825 CA PRO A 666 27.717 -4.478 -1.807 1.00 0.00 C ATOM 826 C PRO A 666 28.353 -4.927 -3.128 1.00 0.00 C ATOM 827 O PRO A 666 27.723 -4.791 -4.203 1.00 0.00 O ATOM 828 CB PRO A 666 27.147 -5.673 -1.039 1.00 0.00 C ATOM 829 CG PRO A 666 25.730 -5.796 -1.587 1.00 0.00 C ATOM 830 CD PRO A 666 25.335 -4.346 -1.873 1.00 0.00 C ATOM 0 HA PRO A 666 28.499 -3.974 -1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 666 27.727 -6.579 -1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 666 27.149 -5.498 0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 666 25.700 -6.407 -2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 666 25.059 -6.261 -0.865 1.00 0.00 H new ATOM 0 HD2 PRO A 666 24.705 -4.283 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 666 24.762 -3.929 -1.045 1.00 0.00 H new