USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 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= -0.0146 USER MOD Single : A 621 SER OG : rot 94:sc= 1.28 USER MOD Single : A 624 SER OG : rot 180:sc= 0.0526 USER MOD Single : A 627 SER OG : rot 180:sc= 0 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 MET CE :methyl 161:sc= -2.3! (180deg=-3.29!) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.9) USER MOD Single : A 640 MET CE :methyl 177:sc= 0 (180deg=-0.0123) USER MOD Single : A 642 LYS NZ :NH3+ -121:sc= 1.01 (180deg=0.0743) USER MOD Single : A 643 SER OG : rot -12:sc= -0.203 USER MOD Single : A 651 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.46) USER MOD Single : A 656 GLN : amide:sc= -0.0429 X(o=-0.043,f=-0.043) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl -153:sc= -0.287 (180deg=-1.25) USER MOD ----------------------------------------------------------------- ATOM 38 N PRO A 614 -18.106 2.204 6.319 1.00 0.00 N ATOM 39 CA PRO A 614 -18.602 2.464 4.977 1.00 0.00 C ATOM 40 C PRO A 614 -17.535 2.212 3.901 1.00 0.00 C ATOM 41 O PRO A 614 -17.870 2.011 2.729 1.00 0.00 O ATOM 42 CB PRO A 614 -19.103 3.910 4.985 1.00 0.00 C ATOM 43 CG PRO A 614 -18.319 4.559 6.122 1.00 0.00 C ATOM 44 CD PRO A 614 -18.137 3.421 7.122 1.00 0.00 C ATOM 0 HA PRO A 614 -19.409 1.778 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -18.912 4.405 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -20.178 3.960 5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -17.361 4.948 5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -18.864 5.395 6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -17.215 3.541 7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -18.955 3.396 7.843 1.00 0.00 H new ATOM 52 N CYS A 615 -16.253 2.199 4.278 1.00 0.00 N ATOM 53 CA CYS A 615 -15.136 1.958 3.377 1.00 0.00 C ATOM 54 C CYS A 615 -14.884 0.452 3.333 1.00 0.00 C ATOM 55 O CYS A 615 -13.875 -0.047 3.839 1.00 0.00 O ATOM 56 CB CYS A 615 -13.901 2.758 3.794 1.00 0.00 C ATOM 57 SG CYS A 615 -14.262 4.397 4.463 1.00 0.00 S ATOM 0 H CYS A 615 -15.963 2.360 5.242 1.00 0.00 H new ATOM 0 HA CYS A 615 -15.375 2.304 2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -13.349 2.188 4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -13.246 2.868 2.930 1.00 0.00 H new ATOM 62 N LEU A 616 -15.844 -0.255 2.744 1.00 0.00 N ATOM 63 CA LEU A 616 -15.871 -1.699 2.569 1.00 0.00 C ATOM 64 C LEU A 616 -14.719 -2.107 1.645 1.00 0.00 C ATOM 65 O LEU A 616 -14.898 -2.221 0.433 1.00 0.00 O ATOM 66 CB LEU A 616 -17.262 -2.105 2.031 1.00 0.00 C ATOM 67 CG LEU A 616 -17.662 -3.573 2.263 1.00 0.00 C ATOM 68 CD1 LEU A 616 -16.655 -4.595 1.732 1.00 0.00 C ATOM 69 CD2 LEU A 616 -17.934 -3.872 3.741 1.00 0.00 C ATOM 0 H LEU A 616 -16.672 0.194 2.354 1.00 0.00 H new ATOM 0 HA LEU A 616 -15.724 -2.225 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.012 -1.465 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.290 -1.904 0.960 1.00 0.00 H new ATOM 0 HG LEU A 616 -18.579 -3.685 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -17.016 -5.603 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -16.537 -4.465 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -15.693 -4.447 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -18.213 -4.920 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -17.036 -3.670 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -18.747 -3.240 4.096 1.00 0.00 H new ATOM 81 N LEU A 617 -13.527 -2.313 2.195 1.00 0.00 N ATOM 82 CA LEU A 617 -12.290 -2.689 1.527 1.00 0.00 C ATOM 83 C LEU A 617 -11.588 -3.730 2.398 1.00 0.00 C ATOM 84 O LEU A 617 -11.588 -3.594 3.624 1.00 0.00 O ATOM 85 CB LEU A 617 -11.337 -1.472 1.454 1.00 0.00 C ATOM 86 CG LEU A 617 -11.891 -0.144 0.895 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.397 1.062 1.694 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.465 0.071 -0.552 1.00 0.00 C ATOM 0 H LEU A 617 -13.392 -2.213 3.201 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.519 -3.059 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -10.965 -1.280 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.479 -1.757 0.845 1.00 0.00 H new ATOM 0 HG LEU A 617 -12.976 -0.223 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -11.811 1.976 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -11.719 0.968 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.309 1.103 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -11.872 1.015 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.377 0.099 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -11.841 -0.746 -1.167 1.00 0.00 H new ATOM 100 N SER A 618 -11.008 -4.776 1.812 1.00 0.00 N ATOM 101 CA SER A 618 -10.277 -5.763 2.607 1.00 0.00 C ATOM 102 C SER A 618 -8.919 -5.125 2.975 1.00 0.00 C ATOM 103 O SER A 618 -8.501 -4.151 2.319 1.00 0.00 O ATOM 104 CB SER A 618 -10.168 -7.089 1.841 1.00 0.00 C ATOM 105 OG SER A 618 -11.465 -7.633 1.753 1.00 0.00 O ATOM 0 H SER A 618 -11.028 -4.961 0.809 1.00 0.00 H new ATOM 0 HA SER A 618 -10.795 -6.020 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 618 -9.752 -6.925 0.847 1.00 0.00 H new ATOM 0 HB3 SER A 618 -9.498 -7.776 2.357 1.00 0.00 H new ATOM 0 HG SER A 618 -11.413 -8.550 1.411 1.00 0.00 H new ATOM 111 N PRO A 619 -8.200 -5.649 3.984 1.00 0.00 N ATOM 112 CA PRO A 619 -6.932 -5.075 4.394 1.00 0.00 C ATOM 113 C PRO A 619 -5.888 -5.179 3.285 1.00 0.00 C ATOM 114 O PRO A 619 -5.828 -6.170 2.551 1.00 0.00 O ATOM 115 CB PRO A 619 -6.528 -5.807 5.674 1.00 0.00 C ATOM 116 CG PRO A 619 -7.288 -7.129 5.615 1.00 0.00 C ATOM 117 CD PRO A 619 -8.551 -6.780 4.831 1.00 0.00 C ATOM 0 HA PRO A 619 -7.016 -4.006 4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.451 -5.970 5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -6.797 -5.234 6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.707 -7.904 5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.524 -7.501 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.884 -7.627 4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.369 -6.524 5.504 1.00 0.00 H new ATOM 125 N TRP A 620 -5.057 -4.142 3.186 1.00 0.00 N ATOM 126 CA TRP A 620 -3.988 -4.036 2.206 1.00 0.00 C ATOM 127 C TRP A 620 -3.071 -5.245 2.236 1.00 0.00 C ATOM 128 O TRP A 620 -2.764 -5.761 3.313 1.00 0.00 O ATOM 129 CB TRP A 620 -3.114 -2.838 2.545 1.00 0.00 C ATOM 130 CG TRP A 620 -3.721 -1.493 2.393 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.298 -0.776 3.374 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.742 -0.649 1.214 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.676 0.454 2.885 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.356 0.590 1.553 1.00 0.00 C ATOM 135 CE3 TRP A 620 -3.283 -0.816 -0.105 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.526 1.617 0.617 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.457 0.203 -1.050 1.00 0.00 C ATOM 138 CH2 TRP A 620 -4.088 1.410 -0.699 1.00 0.00 C ATOM 0 H TRP A 620 -5.114 -3.333 3.804 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.461 -3.949 1.228 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.781 -2.944 3.577 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -2.224 -2.880 1.917 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -4.443 -1.114 4.390 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -5.136 1.175 3.441 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.794 -1.735 -0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.986 2.551 0.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -3.102 0.060 -2.060 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -4.235 2.178 -1.444 1.00 0.00 H new ATOM 149 N SER A 621 -2.570 -5.632 1.067 1.00 0.00 N ATOM 150 CA SER A 621 -1.653 -6.749 0.933 1.00 0.00 C ATOM 151 C SER A 621 -0.373 -6.453 1.730 1.00 0.00 C ATOM 152 O SER A 621 -0.101 -5.299 2.099 1.00 0.00 O ATOM 153 CB SER A 621 -1.347 -6.943 -0.558 1.00 0.00 C ATOM 154 OG SER A 621 -2.545 -6.872 -1.321 1.00 0.00 O ATOM 0 H SER A 621 -2.793 -5.174 0.183 1.00 0.00 H new ATOM 0 HA SER A 621 -2.092 -7.665 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 621 -0.647 -6.178 -0.895 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.865 -7.908 -0.715 1.00 0.00 H new ATOM 0 HG SER A 621 -2.677 -5.954 -1.638 1.00 0.00 H new ATOM 160 N GLU A 622 0.393 -7.492 2.048 1.00 0.00 N ATOM 161 CA GLU A 622 1.634 -7.309 2.781 1.00 0.00 C ATOM 162 C GLU A 622 2.595 -6.546 1.865 1.00 0.00 C ATOM 163 O GLU A 622 2.648 -6.808 0.663 1.00 0.00 O ATOM 164 CB GLU A 622 2.186 -8.660 3.261 1.00 0.00 C ATOM 165 CG GLU A 622 2.640 -9.620 2.149 1.00 0.00 C ATOM 166 CD GLU A 622 2.671 -11.086 2.605 1.00 0.00 C ATOM 167 OE1 GLU A 622 3.148 -11.370 3.730 1.00 0.00 O ATOM 168 OE2 GLU A 622 2.197 -11.954 1.837 1.00 0.00 O ATOM 0 H GLU A 622 0.176 -8.460 1.811 1.00 0.00 H new ATOM 0 HA GLU A 622 1.481 -6.726 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 622 3.031 -8.473 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 622 1.419 -9.156 3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 622 1.969 -9.524 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 622 3.633 -9.329 1.807 1.00 0.00 H new ATOM 175 N TRP A 623 3.304 -5.559 2.404 1.00 0.00 N ATOM 176 CA TRP A 623 4.258 -4.769 1.648 1.00 0.00 C ATOM 177 C TRP A 623 5.375 -5.627 1.069 1.00 0.00 C ATOM 178 O TRP A 623 5.784 -6.613 1.692 1.00 0.00 O ATOM 179 CB TRP A 623 4.936 -3.788 2.597 1.00 0.00 C ATOM 180 CG TRP A 623 4.144 -2.592 2.972 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.505 -2.346 4.135 1.00 0.00 C ATOM 182 CD2 TRP A 623 3.984 -1.412 2.158 1.00 0.00 C ATOM 183 NE1 TRP A 623 2.947 -1.083 4.074 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.174 -0.476 2.857 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.474 -1.049 0.893 1.00 0.00 C ATOM 186 CZ2 TRP A 623 2.797 0.749 2.285 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.161 0.194 0.349 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.290 1.067 1.006 1.00 0.00 C ATOM 0 H TRP A 623 3.229 -5.287 3.384 1.00 0.00 H new ATOM 0 HA TRP A 623 3.709 -4.280 0.843 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.204 -4.322 3.509 1.00 0.00 H new ATOM 0 HB3 TRP A 623 5.866 -3.454 2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.440 -3.023 4.974 1.00 0.00 H new ATOM 0 HE1 TRP A 623 2.429 -0.651 4.839 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.096 -1.737 0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.146 1.430 2.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.598 0.487 -0.594 1.00 0.00 H new ATOM 0 HH2 TRP A 623 2.994 1.990 0.530 1.00 0.00 H new ATOM 199 N SER A 624 5.897 -5.207 -0.084 1.00 0.00 N ATOM 200 CA SER A 624 6.999 -5.901 -0.716 1.00 0.00 C ATOM 201 C SER A 624 8.285 -5.218 -0.215 1.00 0.00 C ATOM 202 O SER A 624 8.272 -4.421 0.738 1.00 0.00 O ATOM 203 CB SER A 624 6.793 -5.872 -2.233 1.00 0.00 C ATOM 204 OG SER A 624 7.682 -6.741 -2.908 1.00 0.00 O ATOM 0 H SER A 624 5.568 -4.387 -0.593 1.00 0.00 H new ATOM 0 HA SER A 624 7.067 -6.958 -0.459 1.00 0.00 H new ATOM 0 HB2 SER A 624 5.766 -6.154 -2.464 1.00 0.00 H new ATOM 0 HB3 SER A 624 6.934 -4.855 -2.598 1.00 0.00 H new ATOM 0 HG SER A 624 7.516 -6.694 -3.873 1.00 0.00 H new ATOM 210 N ASP A 625 9.414 -5.583 -0.805 1.00 0.00 N ATOM 211 CA ASP A 625 10.723 -5.040 -0.464 1.00 0.00 C ATOM 212 C ASP A 625 10.853 -3.620 -0.992 1.00 0.00 C ATOM 213 O ASP A 625 10.026 -3.161 -1.783 1.00 0.00 O ATOM 214 CB ASP A 625 11.828 -5.927 -1.040 1.00 0.00 C ATOM 215 CG ASP A 625 11.663 -7.356 -0.544 1.00 0.00 C ATOM 216 OD1 ASP A 625 11.984 -7.612 0.639 1.00 0.00 O ATOM 217 OD2 ASP A 625 11.105 -8.176 -1.307 1.00 0.00 O ATOM 0 H ASP A 625 9.447 -6.279 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 625 10.825 -5.019 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.792 -5.905 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 625 12.804 -5.542 -0.746 1.00 0.00 H new ATOM 222 N CYS A 626 11.878 -2.896 -0.551 1.00 0.00 N ATOM 223 CA CYS A 626 12.101 -1.540 -1.014 1.00 0.00 C ATOM 224 C CYS A 626 12.496 -1.601 -2.497 1.00 0.00 C ATOM 225 O CYS A 626 13.132 -2.560 -2.940 1.00 0.00 O ATOM 226 CB CYS A 626 13.184 -0.889 -0.150 1.00 0.00 C ATOM 227 SG CYS A 626 13.148 0.917 -0.060 1.00 0.00 S ATOM 0 H CYS A 626 12.564 -3.230 0.126 1.00 0.00 H new ATOM 0 HA CYS A 626 11.202 -0.931 -0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.100 -1.285 0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 626 14.158 -1.195 -0.532 1.00 0.00 H new ATOM 232 N SER A 627 12.181 -0.559 -3.268 1.00 0.00 N ATOM 233 CA SER A 627 12.519 -0.489 -4.692 1.00 0.00 C ATOM 234 C SER A 627 14.044 -0.488 -4.876 1.00 0.00 C ATOM 235 O SER A 627 14.542 -0.777 -5.965 1.00 0.00 O ATOM 236 CB SER A 627 11.887 0.772 -5.306 1.00 0.00 C ATOM 237 OG SER A 627 12.172 0.935 -6.676 1.00 0.00 O ATOM 0 H SER A 627 11.684 0.262 -2.923 1.00 0.00 H new ATOM 0 HA SER A 627 12.121 -1.364 -5.205 1.00 0.00 H new ATOM 0 HB2 SER A 627 10.806 0.729 -5.171 1.00 0.00 H new ATOM 0 HB3 SER A 627 12.242 1.648 -4.763 1.00 0.00 H new ATOM 0 HG SER A 627 11.741 1.752 -7.005 1.00 0.00 H new ATOM 243 N VAL A 628 14.802 -0.166 -3.828 1.00 0.00 N ATOM 244 CA VAL A 628 16.250 -0.117 -3.821 1.00 0.00 C ATOM 245 C VAL A 628 16.776 -1.240 -2.926 1.00 0.00 C ATOM 246 O VAL A 628 16.057 -1.722 -2.047 1.00 0.00 O ATOM 247 CB VAL A 628 16.664 1.284 -3.324 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.772 1.357 -1.792 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.968 1.723 -3.980 1.00 0.00 C ATOM 0 H VAL A 628 14.398 0.077 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 628 16.675 -0.271 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 628 15.872 1.973 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 628 17.066 2.364 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.807 1.115 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.520 0.644 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 628 18.243 2.713 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.757 1.013 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.838 1.757 -5.062 1.00 0.00 H new ATOM 259 N THR A 629 18.050 -1.573 -3.079 1.00 0.00 N ATOM 260 CA THR A 629 18.730 -2.610 -2.308 1.00 0.00 C ATOM 261 C THR A 629 19.700 -1.973 -1.301 1.00 0.00 C ATOM 262 O THR A 629 20.064 -2.609 -0.314 1.00 0.00 O ATOM 263 CB THR A 629 19.414 -3.614 -3.260 1.00 0.00 C ATOM 264 OG1 THR A 629 18.902 -3.502 -4.588 1.00 0.00 O ATOM 265 CG2 THR A 629 19.179 -5.047 -2.781 1.00 0.00 C ATOM 0 H THR A 629 18.657 -1.118 -3.761 1.00 0.00 H new ATOM 0 HA THR A 629 18.004 -3.176 -1.724 1.00 0.00 H new ATOM 0 HB THR A 629 20.479 -3.382 -3.260 1.00 0.00 H new ATOM 0 HG1 THR A 629 19.355 -4.149 -5.169 1.00 0.00 H new ATOM 0 HG21 THR A 629 19.667 -5.743 -3.463 1.00 0.00 H new ATOM 0 HG22 THR A 629 19.593 -5.169 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 629 18.109 -5.252 -2.758 1.00 0.00 H new ATOM 273 N CYS A 630 20.075 -0.705 -1.523 1.00 0.00 N ATOM 274 CA CYS A 630 20.961 0.088 -0.693 1.00 0.00 C ATOM 275 C CYS A 630 20.604 1.566 -0.830 1.00 0.00 C ATOM 276 O CYS A 630 20.245 2.014 -1.921 1.00 0.00 O ATOM 277 CB CYS A 630 22.418 -0.096 -1.097 1.00 0.00 C ATOM 278 SG CYS A 630 22.791 -0.095 -2.876 1.00 0.00 S ATOM 0 H CYS A 630 19.743 -0.186 -2.336 1.00 0.00 H new ATOM 0 HA CYS A 630 20.837 -0.246 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 630 23.001 0.697 -0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.768 -1.039 -0.679 1.00 0.00 H new ATOM 283 N GLY A 631 20.765 2.331 0.244 1.00 0.00 N ATOM 284 CA GLY A 631 20.497 3.753 0.323 1.00 0.00 C ATOM 285 C GLY A 631 19.008 4.084 0.280 1.00 0.00 C ATOM 286 O GLY A 631 18.142 3.244 0.536 1.00 0.00 O ATOM 0 H GLY A 631 21.104 1.951 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 631 20.924 4.147 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 631 20.999 4.258 -0.502 1.00 0.00 H new ATOM 290 N LYS A 632 18.713 5.351 -0.011 1.00 0.00 N ATOM 291 CA LYS A 632 17.375 5.916 -0.133 1.00 0.00 C ATOM 292 C LYS A 632 16.556 5.077 -1.118 1.00 0.00 C ATOM 293 O LYS A 632 17.040 4.736 -2.197 1.00 0.00 O ATOM 294 CB LYS A 632 17.459 7.407 -0.529 1.00 0.00 C ATOM 295 CG LYS A 632 17.710 7.727 -2.020 1.00 0.00 C ATOM 296 CD LYS A 632 19.012 7.176 -2.630 1.00 0.00 C ATOM 297 CE LYS A 632 18.938 7.254 -4.155 1.00 0.00 C ATOM 298 NZ LYS A 632 20.040 6.516 -4.799 1.00 0.00 N ATOM 0 H LYS A 632 19.442 6.045 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 632 16.860 5.881 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 632 16.527 7.889 -0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 632 18.256 7.867 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 632 16.871 7.339 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 632 17.708 8.810 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 632 19.866 7.749 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 632 19.164 6.143 -2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 632 17.984 6.849 -4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 632 18.970 8.298 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 19.953 6.594 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 20.950 6.918 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 19.995 5.514 -4.523 1.00 0.00 H new ATOM 312 N GLY A 633 15.312 4.780 -0.769 1.00 0.00 N ATOM 313 CA GLY A 633 14.400 3.979 -1.560 1.00 0.00 C ATOM 314 C GLY A 633 12.954 4.307 -1.189 1.00 0.00 C ATOM 315 O GLY A 633 12.673 5.330 -0.556 1.00 0.00 O ATOM 0 H GLY A 633 14.899 5.104 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.563 4.169 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.595 2.920 -1.392 1.00 0.00 H new ATOM 319 N MET A 634 12.005 3.511 -1.669 1.00 0.00 N ATOM 320 CA MET A 634 10.563 3.606 -1.439 1.00 0.00 C ATOM 321 C MET A 634 9.943 2.338 -2.018 1.00 0.00 C ATOM 322 O MET A 634 10.526 1.759 -2.932 1.00 0.00 O ATOM 323 CB MET A 634 9.987 4.909 -2.018 1.00 0.00 C ATOM 324 CG MET A 634 9.885 4.986 -3.540 1.00 0.00 C ATOM 325 SD MET A 634 8.436 4.177 -4.256 1.00 0.00 S ATOM 326 CE MET A 634 7.096 4.993 -3.340 1.00 0.00 C ATOM 0 H MET A 634 12.238 2.724 -2.274 1.00 0.00 H new ATOM 0 HA MET A 634 10.325 3.663 -0.377 1.00 0.00 H new ATOM 0 HB2 MET A 634 8.991 5.058 -1.600 1.00 0.00 H new ATOM 0 HB3 MET A 634 10.605 5.739 -1.674 1.00 0.00 H new ATOM 0 HG2 MET A 634 9.878 6.035 -3.835 1.00 0.00 H new ATOM 0 HG3 MET A 634 10.781 4.539 -3.971 1.00 0.00 H new ATOM 0 HE1 MET A 634 6.157 4.866 -3.879 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.009 4.547 -2.349 1.00 0.00 H new ATOM 0 HE3 MET A 634 7.317 6.056 -3.242 1.00 0.00 H new ATOM 336 N ARG A 635 8.810 1.881 -1.491 1.00 0.00 N ATOM 337 CA ARG A 635 8.097 0.705 -1.973 1.00 0.00 C ATOM 338 C ARG A 635 6.659 1.095 -2.236 1.00 0.00 C ATOM 339 O ARG A 635 6.236 2.199 -1.872 1.00 0.00 O ATOM 340 CB ARG A 635 8.169 -0.455 -0.981 1.00 0.00 C ATOM 341 CG ARG A 635 7.938 -0.058 0.473 1.00 0.00 C ATOM 342 CD ARG A 635 8.024 -1.334 1.285 1.00 0.00 C ATOM 343 NE ARG A 635 7.844 -1.054 2.703 1.00 0.00 N ATOM 344 CZ ARG A 635 7.851 -2.000 3.649 1.00 0.00 C ATOM 345 NH1 ARG A 635 8.158 -3.265 3.358 1.00 0.00 N ATOM 346 NH2 ARG A 635 7.532 -1.673 4.889 1.00 0.00 N ATOM 0 H ARG A 635 8.353 2.330 -0.698 1.00 0.00 H new ATOM 0 HA ARG A 635 8.569 0.357 -2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.428 -1.204 -1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.148 -0.928 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 635 8.687 0.663 0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 635 6.964 0.415 0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.262 -2.037 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 635 8.991 -1.810 1.123 1.00 0.00 H new ATOM 0 HE ARG A 635 7.705 -0.085 2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 635 8.393 -3.525 2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 635 8.158 -3.972 4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 635 7.285 -0.710 5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 635 7.533 -2.384 5.620 1.00 0.00 H new ATOM 360 N THR A 636 5.913 0.173 -2.827 1.00 0.00 N ATOM 361 CA THR A 636 4.520 0.341 -3.178 1.00 0.00 C ATOM 362 C THR A 636 3.808 -1.000 -2.984 1.00 0.00 C ATOM 363 O THR A 636 4.458 -2.053 -2.959 1.00 0.00 O ATOM 364 CB THR A 636 4.424 0.879 -4.617 1.00 0.00 C ATOM 365 OG1 THR A 636 5.235 0.133 -5.505 1.00 0.00 O ATOM 366 CG2 THR A 636 4.918 2.326 -4.721 1.00 0.00 C ATOM 0 H THR A 636 6.279 -0.744 -3.082 1.00 0.00 H new ATOM 0 HA THR A 636 4.026 1.070 -2.536 1.00 0.00 H new ATOM 0 HB THR A 636 3.369 0.805 -4.881 1.00 0.00 H new ATOM 0 HG1 THR A 636 5.151 0.498 -6.410 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.833 2.666 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.313 2.964 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 636 5.960 2.378 -4.407 1.00 0.00 H new ATOM 374 N ARG A 637 2.496 -0.980 -2.766 1.00 0.00 N ATOM 375 CA ARG A 637 1.643 -2.156 -2.598 1.00 0.00 C ATOM 376 C ARG A 637 0.255 -1.766 -3.082 1.00 0.00 C ATOM 377 O ARG A 637 -0.058 -0.572 -3.153 1.00 0.00 O ATOM 378 CB ARG A 637 1.597 -2.706 -1.158 1.00 0.00 C ATOM 379 CG ARG A 637 0.989 -1.739 -0.130 1.00 0.00 C ATOM 380 CD ARG A 637 0.500 -2.459 1.119 1.00 0.00 C ATOM 381 NE ARG A 637 0.067 -1.487 2.130 1.00 0.00 N ATOM 382 CZ ARG A 637 -0.102 -1.763 3.424 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.007 -3.017 3.861 1.00 0.00 N ATOM 384 NH2 ARG A 637 -0.384 -0.780 4.270 1.00 0.00 N ATOM 0 H ARG A 637 1.974 -0.106 -2.698 1.00 0.00 H new ATOM 0 HA ARG A 637 2.062 -2.976 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.021 -3.631 -1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.610 -2.959 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.734 -0.994 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.158 -1.202 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.327 -3.122 0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.297 -3.083 1.523 1.00 0.00 H new ATOM 0 HE ARG A 637 -0.118 -0.533 1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.220 -3.769 3.205 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.123 -3.225 4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -0.470 0.177 3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.515 -0.982 5.261 1.00 0.00 H new ATOM 398 N GLN A 638 -0.598 -2.749 -3.326 1.00 0.00 N ATOM 399 CA GLN A 638 -1.946 -2.521 -3.799 1.00 0.00 C ATOM 400 C GLN A 638 -2.915 -3.511 -3.170 1.00 0.00 C ATOM 401 O GLN A 638 -2.545 -4.366 -2.354 1.00 0.00 O ATOM 402 CB GLN A 638 -1.951 -2.558 -5.341 1.00 0.00 C ATOM 403 CG GLN A 638 -1.636 -3.930 -5.967 1.00 0.00 C ATOM 404 CD GLN A 638 -2.865 -4.829 -6.050 1.00 0.00 C ATOM 405 OE1 GLN A 638 -3.039 -5.762 -5.269 1.00 0.00 O ATOM 406 NE2 GLN A 638 -3.755 -4.549 -6.981 1.00 0.00 N ATOM 0 H GLN A 638 -0.368 -3.734 -3.199 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.292 -1.534 -3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.930 -2.233 -5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.224 -1.834 -5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -1.228 -3.785 -6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -0.865 -4.427 -5.377 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -3.596 -3.771 -7.621 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -4.603 -5.110 -7.061 1.00 0.00 H new ATOM 415 N ARG A 639 -4.185 -3.361 -3.522 1.00 0.00 N ATOM 416 CA ARG A 639 -5.283 -4.200 -3.080 1.00 0.00 C ATOM 417 C ARG A 639 -6.371 -4.162 -4.148 1.00 0.00 C ATOM 418 O ARG A 639 -6.310 -3.360 -5.086 1.00 0.00 O ATOM 419 CB ARG A 639 -5.755 -3.769 -1.687 1.00 0.00 C ATOM 420 CG ARG A 639 -6.256 -2.324 -1.622 1.00 0.00 C ATOM 421 CD ARG A 639 -6.725 -2.018 -0.202 1.00 0.00 C ATOM 422 NE ARG A 639 -7.113 -0.615 -0.077 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.582 -0.040 1.027 1.00 0.00 C ATOM 424 NH1 ARG A 639 -7.904 -0.757 2.106 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.717 1.272 1.009 1.00 0.00 N ATOM 0 H ARG A 639 -4.488 -2.617 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 639 -4.972 -5.239 -2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.554 -4.435 -1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.933 -3.890 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.460 -1.637 -1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -7.074 -2.178 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.570 -2.658 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -5.928 -2.244 0.506 1.00 0.00 H new ATOM 0 HE ARG A 639 -7.016 -0.028 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -7.792 -1.771 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -8.262 -0.291 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.466 1.799 0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -8.073 1.759 1.831 1.00 0.00 H new ATOM 439 N MET A 640 -7.385 -5.004 -3.997 1.00 0.00 N ATOM 440 CA MET A 640 -8.509 -5.128 -4.909 1.00 0.00 C ATOM 441 C MET A 640 -9.784 -4.799 -4.150 1.00 0.00 C ATOM 442 O MET A 640 -10.020 -5.373 -3.084 1.00 0.00 O ATOM 443 CB MET A 640 -8.591 -6.570 -5.431 1.00 0.00 C ATOM 444 CG MET A 640 -7.304 -7.045 -6.108 1.00 0.00 C ATOM 445 SD MET A 640 -7.409 -8.727 -6.773 1.00 0.00 S ATOM 446 CE MET A 640 -8.425 -8.474 -8.246 1.00 0.00 C ATOM 0 H MET A 640 -7.447 -5.643 -3.204 1.00 0.00 H new ATOM 0 HA MET A 640 -8.382 -4.447 -5.751 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.823 -7.237 -4.600 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.415 -6.645 -6.140 1.00 0.00 H new ATOM 0 HG2 MET A 640 -7.055 -6.359 -6.917 1.00 0.00 H new ATOM 0 HG3 MET A 640 -6.487 -6.999 -5.388 1.00 0.00 H new ATOM 0 HE1 MET A 640 -8.527 -9.417 -8.784 1.00 0.00 H new ATOM 0 HE2 MET A 640 -9.411 -8.116 -7.951 1.00 0.00 H new ATOM 0 HE3 MET A 640 -7.950 -7.737 -8.893 1.00 0.00 H new ATOM 456 N LEU A 641 -10.624 -3.902 -4.682 1.00 0.00 N ATOM 457 CA LEU A 641 -11.892 -3.527 -4.048 1.00 0.00 C ATOM 458 C LEU A 641 -12.646 -4.804 -3.679 1.00 0.00 C ATOM 459 O LEU A 641 -12.652 -5.776 -4.440 1.00 0.00 O ATOM 460 CB LEU A 641 -12.693 -2.534 -4.923 1.00 0.00 C ATOM 461 CG LEU A 641 -14.210 -2.764 -5.117 1.00 0.00 C ATOM 462 CD1 LEU A 641 -14.905 -1.426 -5.374 1.00 0.00 C ATOM 463 CD2 LEU A 641 -14.541 -3.706 -6.283 1.00 0.00 C ATOM 0 H LEU A 641 -10.444 -3.418 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 641 -11.713 -2.978 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -12.562 -1.539 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.233 -2.520 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.566 -3.233 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -15.974 -1.591 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -14.746 -0.764 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -14.491 -0.968 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -15.622 -3.822 -6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -14.153 -3.286 -7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -14.083 -4.679 -6.106 1.00 0.00 H new ATOM 475 N LYS A 642 -13.197 -4.838 -2.467 1.00 0.00 N ATOM 476 CA LYS A 642 -13.945 -5.963 -1.918 1.00 0.00 C ATOM 477 C LYS A 642 -15.397 -5.603 -1.624 1.00 0.00 C ATOM 478 O LYS A 642 -16.055 -6.316 -0.862 1.00 0.00 O ATOM 479 CB LYS A 642 -13.216 -6.540 -0.693 1.00 0.00 C ATOM 480 CG LYS A 642 -13.516 -8.041 -0.525 1.00 0.00 C ATOM 481 CD LYS A 642 -12.463 -8.948 -1.167 1.00 0.00 C ATOM 482 CE LYS A 642 -12.437 -8.835 -2.688 1.00 0.00 C ATOM 483 NZ LYS A 642 -11.333 -7.994 -3.194 1.00 0.00 N ATOM 0 H LYS A 642 -13.131 -4.054 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 642 -13.988 -6.745 -2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.142 -6.391 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -13.523 -6.002 0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -13.585 -8.273 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -14.490 -8.260 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -11.480 -8.693 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -12.661 -9.983 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -12.350 -9.833 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -13.386 -8.422 -3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -11.724 -7.203 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -10.785 -7.621 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -10.712 -8.565 -3.802 1.00 0.00 H new ATOM 497 N SER A 643 -15.861 -4.491 -2.187 1.00 0.00 N ATOM 498 CA SER A 643 -17.220 -4.002 -2.052 1.00 0.00 C ATOM 499 C SER A 643 -18.210 -5.087 -2.501 1.00 0.00 C ATOM 500 O SER A 643 -17.828 -6.068 -3.147 1.00 0.00 O ATOM 501 CB SER A 643 -17.313 -2.740 -2.913 1.00 0.00 C ATOM 502 OG SER A 643 -16.404 -1.774 -2.423 1.00 0.00 O ATOM 0 H SER A 643 -15.278 -3.889 -2.768 1.00 0.00 H new ATOM 0 HA SER A 643 -17.472 -3.763 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 643 -17.085 -2.977 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 643 -18.329 -2.345 -2.892 1.00 0.00 H new ATOM 0 HG SER A 643 -16.073 -2.052 -1.544 1.00 0.00 H new ATOM 508 N LEU A 644 -19.475 -4.940 -2.113 1.00 0.00 N ATOM 509 CA LEU A 644 -20.546 -5.872 -2.464 1.00 0.00 C ATOM 510 C LEU A 644 -21.527 -5.225 -3.446 1.00 0.00 C ATOM 511 O LEU A 644 -22.289 -5.935 -4.102 1.00 0.00 O ATOM 512 CB LEU A 644 -21.233 -6.448 -1.213 1.00 0.00 C ATOM 513 CG LEU A 644 -22.200 -5.506 -0.464 1.00 0.00 C ATOM 514 CD1 LEU A 644 -23.289 -6.342 0.208 1.00 0.00 C ATOM 515 CD2 LEU A 644 -21.472 -4.688 0.607 1.00 0.00 C ATOM 0 H LEU A 644 -19.790 -4.159 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 644 -20.104 -6.726 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -21.785 -7.340 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -20.459 -6.768 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 644 -22.631 -4.815 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -23.977 -5.684 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -23.836 -6.903 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -22.832 -7.036 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -22.184 -4.036 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -21.017 -5.362 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -20.696 -4.083 0.138 1.00 0.00 H new ATOM 527 N ALA A 645 -21.496 -3.896 -3.542 1.00 0.00 N ATOM 528 CA ALA A 645 -22.305 -3.071 -4.413 1.00 0.00 C ATOM 529 C ALA A 645 -21.317 -2.101 -5.053 1.00 0.00 C ATOM 530 O ALA A 645 -20.828 -2.354 -6.154 1.00 0.00 O ATOM 531 CB ALA A 645 -23.429 -2.386 -3.623 1.00 0.00 C ATOM 0 H ALA A 645 -20.860 -3.339 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 645 -22.829 -3.637 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -24.025 -1.771 -4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -24.065 -3.143 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -22.996 -1.757 -2.845 1.00 0.00 H new ATOM 537 N GLU A 646 -20.941 -1.041 -4.336 1.00 0.00 N ATOM 538 CA GLU A 646 -20.001 -0.030 -4.792 1.00 0.00 C ATOM 539 C GLU A 646 -19.298 0.622 -3.595 1.00 0.00 C ATOM 540 O GLU A 646 -19.517 0.227 -2.446 1.00 0.00 O ATOM 541 CB GLU A 646 -20.744 0.999 -5.666 1.00 0.00 C ATOM 542 CG GLU A 646 -21.464 2.155 -4.946 1.00 0.00 C ATOM 543 CD GLU A 646 -22.303 1.766 -3.728 1.00 0.00 C ATOM 544 OE1 GLU A 646 -23.365 1.133 -3.893 1.00 0.00 O ATOM 545 OE2 GLU A 646 -21.952 2.191 -2.604 1.00 0.00 O ATOM 0 H GLU A 646 -21.295 -0.862 -3.396 1.00 0.00 H new ATOM 0 HA GLU A 646 -19.224 -0.491 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -20.025 1.432 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -21.482 0.463 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -20.716 2.882 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -22.113 2.656 -5.664 1.00 0.00 H new ATOM 552 N LEU A 647 -18.427 1.595 -3.866 1.00 0.00 N ATOM 553 CA LEU A 647 -17.683 2.366 -2.878 1.00 0.00 C ATOM 554 C LEU A 647 -17.248 3.657 -3.556 1.00 0.00 C ATOM 555 O LEU A 647 -16.859 3.629 -4.726 1.00 0.00 O ATOM 556 CB LEU A 647 -16.484 1.563 -2.358 1.00 0.00 C ATOM 557 CG LEU A 647 -15.745 2.208 -1.168 1.00 0.00 C ATOM 558 CD1 LEU A 647 -15.159 1.089 -0.309 1.00 0.00 C ATOM 559 CD2 LEU A 647 -14.588 3.129 -1.569 1.00 0.00 C ATOM 0 H LEU A 647 -18.214 1.877 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 647 -18.300 2.592 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -16.829 0.573 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -15.776 1.422 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 647 -16.479 2.820 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -14.630 1.521 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -15.963 0.448 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -14.464 0.498 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -14.123 3.540 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -13.849 2.560 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -14.968 3.943 -2.187 1.00 0.00 H new ATOM 571 N GLY A 648 -17.312 4.783 -2.852 1.00 0.00 N ATOM 572 CA GLY A 648 -16.911 6.068 -3.401 1.00 0.00 C ATOM 573 C GLY A 648 -16.975 7.196 -2.379 1.00 0.00 C ATOM 574 O GLY A 648 -16.216 8.152 -2.504 1.00 0.00 O ATOM 0 H GLY A 648 -17.643 4.828 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -15.894 5.991 -3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -17.555 6.313 -4.246 1.00 0.00 H new ATOM 578 N ASP A 649 -17.812 7.090 -1.343 1.00 0.00 N ATOM 579 CA ASP A 649 -17.951 8.127 -0.315 1.00 0.00 C ATOM 580 C ASP A 649 -16.657 8.349 0.462 1.00 0.00 C ATOM 581 O ASP A 649 -16.347 9.475 0.846 1.00 0.00 O ATOM 582 CB ASP A 649 -19.081 7.769 0.651 1.00 0.00 C ATOM 583 CG ASP A 649 -19.245 8.819 1.751 1.00 0.00 C ATOM 584 OD1 ASP A 649 -19.591 9.970 1.407 1.00 0.00 O ATOM 585 OD2 ASP A 649 -19.120 8.449 2.945 1.00 0.00 O ATOM 0 H ASP A 649 -18.414 6.281 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 649 -18.190 9.058 -0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -20.015 7.674 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -18.878 6.798 1.103 1.00 0.00 H new ATOM 590 N CYS A 650 -15.890 7.280 0.685 1.00 0.00 N ATOM 591 CA CYS A 650 -14.627 7.372 1.401 1.00 0.00 C ATOM 592 C CYS A 650 -13.491 7.858 0.509 1.00 0.00 C ATOM 593 O CYS A 650 -12.470 8.285 1.045 1.00 0.00 O ATOM 594 CB CYS A 650 -14.231 6.010 1.968 1.00 0.00 C ATOM 595 SG CYS A 650 -15.452 5.278 3.073 1.00 0.00 S ATOM 0 H CYS A 650 -16.128 6.338 0.376 1.00 0.00 H new ATOM 0 HA CYS A 650 -14.782 8.094 2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.051 5.324 1.140 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -13.289 6.114 2.506 1.00 0.00 H new ATOM 600 N ASN A 651 -13.636 7.742 -0.821 1.00 0.00 N ATOM 601 CA ASN A 651 -12.649 8.128 -1.837 1.00 0.00 C ATOM 602 C ASN A 651 -11.262 7.486 -1.601 1.00 0.00 C ATOM 603 O ASN A 651 -10.279 7.891 -2.219 1.00 0.00 O ATOM 604 CB ASN A 651 -12.627 9.665 -1.948 1.00 0.00 C ATOM 605 CG ASN A 651 -11.671 10.219 -2.998 1.00 0.00 C ATOM 606 OD1 ASN A 651 -10.892 11.122 -2.708 1.00 0.00 O ATOM 607 ND2 ASN A 651 -11.718 9.768 -4.237 1.00 0.00 N ATOM 0 H ASN A 651 -14.486 7.358 -1.234 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.948 7.728 -2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -13.635 10.013 -2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -12.358 10.081 -0.977 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -11.108 10.170 -4.949 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -12.364 9.018 -4.482 1.00 0.00 H new ATOM 614 N GLU A 652 -11.173 6.454 -0.754 1.00 0.00 N ATOM 615 CA GLU A 652 -9.931 5.775 -0.424 1.00 0.00 C ATOM 616 C GLU A 652 -9.329 5.115 -1.668 1.00 0.00 C ATOM 617 O GLU A 652 -10.025 4.788 -2.632 1.00 0.00 O ATOM 618 CB GLU A 652 -10.155 4.784 0.728 1.00 0.00 C ATOM 619 CG GLU A 652 -8.874 4.565 1.547 1.00 0.00 C ATOM 620 CD GLU A 652 -9.075 3.700 2.797 1.00 0.00 C ATOM 621 OE1 GLU A 652 -10.139 3.717 3.442 1.00 0.00 O ATOM 622 OE2 GLU A 652 -8.140 2.928 3.133 1.00 0.00 O ATOM 0 H GLU A 652 -11.984 6.065 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 652 -9.201 6.507 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -10.945 5.157 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -10.497 3.830 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -8.123 4.097 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -8.477 5.534 1.848 1.00 0.00 H new ATOM 629 N ASP A 653 -8.022 4.901 -1.625 1.00 0.00 N ATOM 630 CA ASP A 653 -7.215 4.326 -2.698 1.00 0.00 C ATOM 631 C ASP A 653 -7.069 2.809 -2.646 1.00 0.00 C ATOM 632 O ASP A 653 -7.280 2.159 -1.614 1.00 0.00 O ATOM 633 CB ASP A 653 -5.797 4.910 -2.580 1.00 0.00 C ATOM 634 CG ASP A 653 -5.470 6.044 -3.542 1.00 0.00 C ATOM 635 OD1 ASP A 653 -5.933 6.036 -4.709 1.00 0.00 O ATOM 636 OD2 ASP A 653 -4.648 6.898 -3.146 1.00 0.00 O ATOM 0 H ASP A 653 -7.466 5.134 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.727 4.570 -3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.655 5.270 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -5.078 4.106 -2.737 1.00 0.00 H new ATOM 641 N LEU A 654 -6.588 2.256 -3.763 1.00 0.00 N ATOM 642 CA LEU A 654 -6.314 0.839 -3.968 1.00 0.00 C ATOM 643 C LEU A 654 -4.804 0.593 -4.103 1.00 0.00 C ATOM 644 O LEU A 654 -4.396 -0.562 -4.175 1.00 0.00 O ATOM 645 CB LEU A 654 -7.072 0.306 -5.189 1.00 0.00 C ATOM 646 CG LEU A 654 -8.606 0.274 -5.063 1.00 0.00 C ATOM 647 CD1 LEU A 654 -9.171 -0.224 -6.395 1.00 0.00 C ATOM 648 CD2 LEU A 654 -9.085 -0.663 -3.945 1.00 0.00 C ATOM 0 H LEU A 654 -6.370 2.816 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.668 0.293 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.810 0.918 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.722 -0.705 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.952 1.278 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -10.259 -0.258 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.870 0.454 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.787 -1.223 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -10.174 -0.648 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.744 -1.678 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.677 -0.329 -2.991 1.00 0.00 H new ATOM 660 N GLU A 655 -3.977 1.645 -4.130 1.00 0.00 N ATOM 661 CA GLU A 655 -2.516 1.607 -4.215 1.00 0.00 C ATOM 662 C GLU A 655 -1.962 2.538 -3.130 1.00 0.00 C ATOM 663 O GLU A 655 -2.555 3.578 -2.831 1.00 0.00 O ATOM 664 CB GLU A 655 -2.020 1.991 -5.615 1.00 0.00 C ATOM 665 CG GLU A 655 -0.499 2.236 -5.653 1.00 0.00 C ATOM 666 CD GLU A 655 0.011 2.297 -7.087 1.00 0.00 C ATOM 667 OE1 GLU A 655 0.086 1.240 -7.755 1.00 0.00 O ATOM 668 OE2 GLU A 655 0.228 3.418 -7.605 1.00 0.00 O ATOM 0 H GLU A 655 -4.333 2.600 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 655 -2.156 0.592 -4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.275 1.198 -6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.539 2.890 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.265 3.169 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.014 1.439 -5.115 1.00 0.00 H new ATOM 675 N GLN A 656 -0.836 2.159 -2.527 1.00 0.00 N ATOM 676 CA GLN A 656 -0.145 2.895 -1.481 1.00 0.00 C ATOM 677 C GLN A 656 1.360 2.842 -1.743 1.00 0.00 C ATOM 678 O GLN A 656 1.861 1.891 -2.345 1.00 0.00 O ATOM 679 CB GLN A 656 -0.486 2.280 -0.105 1.00 0.00 C ATOM 680 CG GLN A 656 -1.396 3.179 0.744 1.00 0.00 C ATOM 681 CD GLN A 656 -0.648 4.415 1.243 1.00 0.00 C ATOM 682 OE1 GLN A 656 0.248 4.313 2.076 1.00 0.00 O ATOM 683 NE2 GLN A 656 -0.935 5.594 0.719 1.00 0.00 N ATOM 0 H GLN A 656 -0.362 1.289 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 656 -0.465 3.937 -1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.973 1.316 -0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.438 2.089 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -2.259 3.487 0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -1.777 2.614 1.595 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -1.680 5.677 0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -0.412 6.421 1.007 1.00 0.00 H new ATOM 692 N ALA A 657 2.075 3.842 -1.226 1.00 0.00 N ATOM 693 CA ALA A 657 3.518 4.021 -1.323 1.00 0.00 C ATOM 694 C ALA A 657 4.100 4.291 0.063 1.00 0.00 C ATOM 695 O ALA A 657 3.430 4.879 0.917 1.00 0.00 O ATOM 696 CB ALA A 657 3.834 5.215 -2.227 1.00 0.00 C ATOM 0 H ALA A 657 1.632 4.593 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 657 3.956 3.114 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 657 4.914 5.344 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 657 3.426 5.036 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 657 3.387 6.117 -1.808 1.00 0.00 H new ATOM 702 N GLU A 658 5.356 3.898 0.280 1.00 0.00 N ATOM 703 CA GLU A 658 6.048 4.086 1.546 1.00 0.00 C ATOM 704 C GLU A 658 7.557 4.192 1.336 1.00 0.00 C ATOM 705 O GLU A 658 8.205 3.250 0.885 1.00 0.00 O ATOM 706 CB GLU A 658 5.742 2.911 2.490 1.00 0.00 C ATOM 707 CG GLU A 658 6.206 3.138 3.933 1.00 0.00 C ATOM 708 CD GLU A 658 6.049 1.865 4.769 1.00 0.00 C ATOM 709 OE1 GLU A 658 6.979 1.025 4.747 1.00 0.00 O ATOM 710 OE2 GLU A 658 5.013 1.705 5.463 1.00 0.00 O ATOM 0 H GLU A 658 5.924 3.435 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 658 5.694 5.016 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 658 4.668 2.727 2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.220 2.012 2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 658 7.249 3.453 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 658 5.627 3.945 4.382 1.00 0.00 H new ATOM 717 N LYS A 659 8.123 5.361 1.627 1.00 0.00 N ATOM 718 CA LYS A 659 9.557 5.639 1.558 1.00 0.00 C ATOM 719 C LYS A 659 10.248 4.647 2.502 1.00 0.00 C ATOM 720 O LYS A 659 9.694 4.334 3.559 1.00 0.00 O ATOM 721 CB LYS A 659 9.856 7.101 1.956 1.00 0.00 C ATOM 722 CG LYS A 659 9.511 7.423 3.427 1.00 0.00 C ATOM 723 CD LYS A 659 9.676 8.885 3.853 1.00 0.00 C ATOM 724 CE LYS A 659 8.714 9.778 3.069 1.00 0.00 C ATOM 725 NZ LYS A 659 8.515 11.101 3.682 1.00 0.00 N ATOM 0 H LYS A 659 7.578 6.169 1.928 1.00 0.00 H new ATOM 0 HA LYS A 659 9.929 5.518 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 659 10.913 7.306 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 659 9.292 7.769 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 659 8.478 7.127 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 659 10.138 6.805 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 659 9.485 8.983 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 659 10.703 9.207 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 659 9.095 9.909 2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 659 7.750 9.276 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 7.853 11.656 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 8.124 10.985 4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 9.427 11.598 3.738 1.00 0.00 H new ATOM 739 N CYS A 660 11.419 4.147 2.125 1.00 0.00 N ATOM 740 CA CYS A 660 12.201 3.211 2.922 1.00 0.00 C ATOM 741 C CYS A 660 13.674 3.492 2.619 1.00 0.00 C ATOM 742 O CYS A 660 13.957 4.081 1.579 1.00 0.00 O ATOM 743 CB CYS A 660 11.789 1.755 2.629 1.00 0.00 C ATOM 744 SG CYS A 660 11.401 1.331 0.904 1.00 0.00 S ATOM 0 H CYS A 660 11.860 4.387 1.237 1.00 0.00 H new ATOM 0 HA CYS A 660 12.020 3.346 3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 660 12.595 1.102 2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 660 10.916 1.522 3.239 1.00 0.00 H new ATOM 749 N MET A 661 14.636 3.111 3.462 1.00 0.00 N ATOM 750 CA MET A 661 16.042 3.398 3.169 1.00 0.00 C ATOM 751 C MET A 661 16.942 2.283 3.668 1.00 0.00 C ATOM 752 O MET A 661 17.077 2.053 4.872 1.00 0.00 O ATOM 753 CB MET A 661 16.501 4.725 3.782 1.00 0.00 C ATOM 754 CG MET A 661 15.558 5.912 3.565 1.00 0.00 C ATOM 755 SD MET A 661 16.092 7.457 4.341 1.00 0.00 S ATOM 756 CE MET A 661 16.277 6.848 6.034 1.00 0.00 C ATOM 0 H MET A 661 14.473 2.612 4.337 1.00 0.00 H new ATOM 0 HA MET A 661 16.121 3.474 2.084 1.00 0.00 H new ATOM 0 HB2 MET A 661 16.637 4.582 4.854 1.00 0.00 H new ATOM 0 HB3 MET A 661 17.477 4.978 3.368 1.00 0.00 H new ATOM 0 HG2 MET A 661 15.448 6.079 2.494 1.00 0.00 H new ATOM 0 HG3 MET A 661 14.572 5.650 3.950 1.00 0.00 H new ATOM 0 HE1 MET A 661 16.129 7.670 6.735 1.00 0.00 H new ATOM 0 HE2 MET A 661 15.537 6.071 6.224 1.00 0.00 H new ATOM 0 HE3 MET A 661 17.277 6.436 6.165 1.00 0.00 H new ATOM 766 N LEU A 662 17.536 1.570 2.725 1.00 0.00 N ATOM 767 CA LEU A 662 18.453 0.470 2.983 1.00 0.00 C ATOM 768 C LEU A 662 19.842 1.034 3.359 1.00 0.00 C ATOM 769 O LEU A 662 20.070 2.235 3.171 1.00 0.00 O ATOM 770 CB LEU A 662 18.501 -0.380 1.697 1.00 0.00 C ATOM 771 CG LEU A 662 17.393 -1.434 1.518 1.00 0.00 C ATOM 772 CD1 LEU A 662 17.660 -2.616 2.443 1.00 0.00 C ATOM 773 CD2 LEU A 662 15.975 -0.913 1.756 1.00 0.00 C ATOM 0 H LEU A 662 17.390 1.745 1.731 1.00 0.00 H new ATOM 0 HA LEU A 662 18.127 -0.150 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.468 0.296 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.464 -0.890 1.663 1.00 0.00 H new ATOM 0 HG LEU A 662 17.432 -1.732 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 662 16.875 -3.362 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 662 18.625 -3.059 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 662 17.671 -2.273 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.260 -1.723 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 662 15.892 -0.537 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 662 15.761 -0.107 1.054 1.00 0.00 H new ATOM 785 N PRO A 663 20.774 0.218 3.892 1.00 0.00 N ATOM 786 CA PRO A 663 22.127 0.659 4.251 1.00 0.00 C ATOM 787 C PRO A 663 22.936 0.951 2.976 1.00 0.00 C ATOM 788 O PRO A 663 22.405 0.821 1.875 1.00 0.00 O ATOM 789 CB PRO A 663 22.727 -0.497 5.060 1.00 0.00 C ATOM 790 CG PRO A 663 22.029 -1.724 4.476 1.00 0.00 C ATOM 791 CD PRO A 663 20.626 -1.205 4.172 1.00 0.00 C ATOM 0 HA PRO A 663 22.132 1.581 4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.809 -0.554 4.941 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.528 -0.389 6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.530 -2.084 3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 663 22.009 -2.553 5.184 1.00 0.00 H new ATOM 0 HD2 PRO A 663 20.194 -1.727 3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.958 -1.369 5.018 1.00 0.00 H new ATOM 799 N GLU A 664 24.200 1.370 3.078 1.00 0.00 N ATOM 800 CA GLU A 664 24.999 1.661 1.888 1.00 0.00 C ATOM 801 C GLU A 664 25.202 0.398 1.054 1.00 0.00 C ATOM 802 O GLU A 664 25.104 -0.726 1.549 1.00 0.00 O ATOM 803 CB GLU A 664 26.329 2.366 2.207 1.00 0.00 C ATOM 804 CG GLU A 664 27.264 1.567 3.121 1.00 0.00 C ATOM 805 CD GLU A 664 26.888 1.744 4.591 1.00 0.00 C ATOM 806 OE1 GLU A 664 26.956 2.876 5.121 1.00 0.00 O ATOM 807 OE2 GLU A 664 26.463 0.754 5.229 1.00 0.00 O ATOM 0 H GLU A 664 24.687 1.514 3.963 1.00 0.00 H new ATOM 0 HA GLU A 664 24.432 2.375 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.848 2.578 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 664 26.114 3.326 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 664 27.219 0.511 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 664 28.293 1.891 2.965 1.00 0.00 H new ATOM 814 N CYS A 665 25.492 0.595 -0.228 1.00 0.00 N ATOM 815 CA CYS A 665 25.699 -0.488 -1.176 1.00 0.00 C ATOM 816 C CYS A 665 26.872 -1.389 -0.767 1.00 0.00 C ATOM 817 O CYS A 665 27.944 -0.865 -0.451 1.00 0.00 O ATOM 818 CB CYS A 665 25.832 0.099 -2.577 1.00 0.00 C ATOM 819 SG CYS A 665 24.413 1.139 -3.034 1.00 0.00 S ATOM 0 H CYS A 665 25.590 1.523 -0.640 1.00 0.00 H new ATOM 0 HA CYS A 665 24.833 -1.150 -1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 665 26.745 0.691 -2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 665 25.932 -0.711 -3.299 1.00 0.00 H new ATOM 824 N PRO A 666 26.673 -2.723 -0.732 1.00 0.00 N ATOM 825 CA PRO A 666 27.703 -3.678 -0.352 1.00 0.00 C ATOM 826 C PRO A 666 28.794 -3.738 -1.410 1.00 0.00 C ATOM 827 O PRO A 666 29.968 -3.837 -1.005 1.00 0.00 O ATOM 828 CB PRO A 666 26.996 -5.027 -0.198 1.00 0.00 C ATOM 829 CG PRO A 666 25.831 -4.907 -1.170 1.00 0.00 C ATOM 830 CD PRO A 666 25.451 -3.432 -1.094 1.00 0.00 C ATOM 0 HA PRO A 666 28.194 -3.391 0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 666 27.652 -5.859 -0.453 1.00 0.00 H new ATOM 0 HB3 PRO A 666 26.655 -5.191 0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 666 26.121 -5.195 -2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 666 25.000 -5.551 -0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 666 25.063 -3.079 -2.049 1.00 0.00 H new ATOM 0 HD3 PRO A 666 24.670 -3.268 -0.352 1.00 0.00 H new