USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 525 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 NoAdj-H: A 685 HIS HD1 : A 685 HIS ND1 : A 801 ZNZN :(H bumps) USER MOD Set 1.1: A 679 LYS NZ :NH3+ -132:sc= 1.13 (180deg=0.745) USER MOD Set 1.2: A 702 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 695 ASN : amide:sc= -0.842 K(o=-0.84,f=-1.4) USER MOD Set 2.2: A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 THR OG1 : rot 39:sc= 0.262 USER MOD Single : A 655 SER OG : rot 180:sc= 0 USER MOD Single : A 657 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 GLN : amide:sc= -1.48! C(o=-1.5!,f=-2.3!) USER MOD Single : A 681 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 684 GLN : amide:sc= -4.87! C(o=-4.9!,f=-6.7!) USER MOD Single : A 687 LYS NZ :NH3+ 166:sc= -0.0397 (180deg=-0.245) USER MOD Single : A 690 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 691 TYR OH : rot -93:sc= 0.699 USER MOD Single : A 694 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0107) USER MOD Single : A 697 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0509) USER MOD Single : A 705 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 710 MET CE :methyl 176:sc= -1.28 (180deg=-1.35) USER MOD Single : A 714 SER OG : rot 180:sc= 0 USER MOD Single : A 715 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 652 -4.400 -11.782 5.702 1.00 0.00 N ATOM 2 CA PHE A 652 -3.013 -11.475 5.274 1.00 0.00 C ATOM 3 C PHE A 652 -3.035 -10.414 4.159 1.00 0.00 C ATOM 4 O PHE A 652 -4.043 -10.272 3.455 1.00 0.00 O ATOM 5 CB PHE A 652 -2.302 -12.768 4.808 1.00 0.00 C ATOM 6 CG PHE A 652 -2.299 -13.885 5.859 1.00 0.00 C ATOM 7 CD1 PHE A 652 -1.510 -13.780 7.005 1.00 0.00 C ATOM 8 CD2 PHE A 652 -3.078 -15.031 5.702 1.00 0.00 C ATOM 9 CE1 PHE A 652 -1.500 -14.784 7.960 1.00 0.00 C ATOM 10 CE2 PHE A 652 -3.066 -16.034 6.659 1.00 0.00 C ATOM 11 CZ PHE A 652 -2.276 -15.909 7.786 1.00 0.00 C ATOM 0 HA PHE A 652 -2.453 -11.071 6.117 1.00 0.00 H new ATOM 0 HB2 PHE A 652 -2.789 -13.134 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 652 -1.272 -12.530 4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 652 -0.897 -12.902 7.150 1.00 0.00 H new ATOM 0 HD2 PHE A 652 -3.698 -15.138 4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 652 -0.884 -14.685 8.841 1.00 0.00 H new ATOM 0 HE2 PHE A 652 -3.676 -16.915 6.523 1.00 0.00 H new ATOM 0 HZ PHE A 652 -2.267 -16.692 8.529 1.00 0.00 H new ATOM 21 N ASN A 653 -1.933 -9.659 4.017 1.00 0.00 N ATOM 22 CA ASN A 653 -1.794 -8.619 2.981 1.00 0.00 C ATOM 23 C ASN A 653 -1.454 -9.276 1.632 1.00 0.00 C ATOM 24 O ASN A 653 -0.281 -9.406 1.257 1.00 0.00 O ATOM 25 CB ASN A 653 -0.725 -7.586 3.407 1.00 0.00 C ATOM 26 CG ASN A 653 -1.094 -6.861 4.700 1.00 0.00 C ATOM 27 OD1 ASN A 653 -0.728 -7.285 5.796 1.00 0.00 O ATOM 28 ND2 ASN A 653 -1.848 -5.778 4.580 1.00 0.00 N ATOM 0 H ASN A 653 -1.113 -9.752 4.616 1.00 0.00 H new ATOM 0 HA ASN A 653 -2.736 -8.084 2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 653 0.232 -8.091 3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 653 -0.593 -6.855 2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 653 -2.143 -5.267 5.412 1.00 0.00 H new ATOM 0 HD22 ASN A 653 -2.133 -5.455 3.655 1.00 0.00 H new ATOM 35 N THR A 654 -2.507 -9.754 0.951 1.00 0.00 N ATOM 36 CA THR A 654 -2.414 -10.502 -0.305 1.00 0.00 C ATOM 37 C THR A 654 -3.481 -9.982 -1.299 1.00 0.00 C ATOM 38 O THR A 654 -4.689 -10.079 -1.030 1.00 0.00 O ATOM 39 CB THR A 654 -2.621 -12.038 -0.042 1.00 0.00 C ATOM 40 OG1 THR A 654 -3.832 -12.254 0.707 1.00 0.00 O ATOM 41 CG2 THR A 654 -1.440 -12.679 0.718 1.00 0.00 C ATOM 0 H THR A 654 -3.468 -9.626 1.269 1.00 0.00 H new ATOM 0 HA THR A 654 -1.423 -10.356 -0.734 1.00 0.00 H new ATOM 0 HB THR A 654 -2.686 -12.515 -1.020 1.00 0.00 H new ATOM 0 HG1 THR A 654 -4.525 -11.637 0.393 1.00 0.00 H new ATOM 0 HG21 THR A 654 -1.639 -13.740 0.871 1.00 0.00 H new ATOM 0 HG22 THR A 654 -0.526 -12.561 0.136 1.00 0.00 H new ATOM 0 HG23 THR A 654 -1.320 -12.189 1.684 1.00 0.00 H new ATOM 49 N SER A 655 -3.034 -9.422 -2.437 1.00 0.00 N ATOM 50 CA SER A 655 -3.931 -8.908 -3.496 1.00 0.00 C ATOM 51 C SER A 655 -3.343 -9.210 -4.889 1.00 0.00 C ATOM 52 O SER A 655 -2.120 -9.265 -5.057 1.00 0.00 O ATOM 53 CB SER A 655 -4.147 -7.386 -3.317 1.00 0.00 C ATOM 54 OG SER A 655 -2.923 -6.673 -3.396 1.00 0.00 O ATOM 0 H SER A 655 -2.043 -9.312 -2.652 1.00 0.00 H new ATOM 0 HA SER A 655 -4.896 -9.409 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 655 -4.831 -7.022 -4.084 1.00 0.00 H new ATOM 0 HB3 SER A 655 -4.618 -7.196 -2.353 1.00 0.00 H new ATOM 0 HG SER A 655 -3.094 -5.715 -3.281 1.00 0.00 H new ATOM 60 N ASP A 656 -4.233 -9.397 -5.881 1.00 0.00 N ATOM 61 CA ASP A 656 -3.869 -9.632 -7.296 1.00 0.00 C ATOM 62 C ASP A 656 -4.622 -8.652 -8.197 1.00 0.00 C ATOM 63 O ASP A 656 -5.443 -7.850 -7.734 1.00 0.00 O ATOM 64 CB ASP A 656 -4.223 -11.085 -7.738 1.00 0.00 C ATOM 65 CG ASP A 656 -3.390 -12.159 -7.031 1.00 0.00 C ATOM 66 OD1 ASP A 656 -2.236 -12.399 -7.439 1.00 0.00 O ATOM 67 OD2 ASP A 656 -3.890 -12.780 -6.070 1.00 0.00 O ATOM 0 H ASP A 656 -5.241 -9.390 -5.723 1.00 0.00 H new ATOM 0 HA ASP A 656 -2.793 -9.485 -7.389 1.00 0.00 H new ATOM 0 HB2 ASP A 656 -5.279 -11.269 -7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 656 -4.078 -11.174 -8.815 1.00 0.00 H new ATOM 72 N TYR A 657 -4.328 -8.738 -9.499 1.00 0.00 N ATOM 73 CA TYR A 657 -5.113 -8.066 -10.536 1.00 0.00 C ATOM 74 C TYR A 657 -6.426 -8.840 -10.733 1.00 0.00 C ATOM 75 O TYR A 657 -6.423 -10.076 -10.758 1.00 0.00 O ATOM 76 CB TYR A 657 -4.316 -7.988 -11.861 1.00 0.00 C ATOM 77 CG TYR A 657 -3.007 -7.189 -11.739 1.00 0.00 C ATOM 78 CD1 TYR A 657 -2.990 -5.800 -11.889 1.00 0.00 C ATOM 79 CD2 TYR A 657 -1.792 -7.823 -11.455 1.00 0.00 C ATOM 80 CE1 TYR A 657 -1.823 -5.080 -11.762 1.00 0.00 C ATOM 81 CE2 TYR A 657 -0.624 -7.098 -11.331 1.00 0.00 C ATOM 82 CZ TYR A 657 -0.648 -5.731 -11.485 1.00 0.00 C ATOM 83 OH TYR A 657 0.509 -5.008 -11.354 1.00 0.00 O ATOM 0 H TYR A 657 -3.540 -9.275 -9.861 1.00 0.00 H new ATOM 0 HA TYR A 657 -5.333 -7.044 -10.227 1.00 0.00 H new ATOM 0 HB2 TYR A 657 -4.086 -8.999 -12.198 1.00 0.00 H new ATOM 0 HB3 TYR A 657 -4.942 -7.531 -12.627 1.00 0.00 H new ATOM 0 HD1 TYR A 657 -3.911 -5.280 -12.109 1.00 0.00 H new ATOM 0 HD2 TYR A 657 -1.768 -8.896 -11.331 1.00 0.00 H new ATOM 0 HE1 TYR A 657 -1.833 -4.007 -11.880 1.00 0.00 H new ATOM 0 HE2 TYR A 657 0.306 -7.602 -11.114 1.00 0.00 H new ATOM 0 HH TYR A 657 1.253 -5.614 -11.157 1.00 0.00 H new ATOM 93 N ARG A 658 -7.542 -8.105 -10.828 1.00 0.00 N ATOM 94 CA ARG A 658 -8.872 -8.698 -11.021 1.00 0.00 C ATOM 95 C ARG A 658 -9.025 -9.119 -12.497 1.00 0.00 C ATOM 96 O ARG A 658 -9.540 -8.350 -13.315 1.00 0.00 O ATOM 97 CB ARG A 658 -10.008 -7.708 -10.592 1.00 0.00 C ATOM 98 CG ARG A 658 -10.112 -7.383 -9.075 1.00 0.00 C ATOM 99 CD ARG A 658 -8.947 -6.533 -8.536 1.00 0.00 C ATOM 100 NE ARG A 658 -9.114 -6.175 -7.113 1.00 0.00 N ATOM 101 CZ ARG A 658 -8.136 -5.742 -6.300 1.00 0.00 C ATOM 102 NH1 ARG A 658 -6.879 -5.680 -6.719 1.00 0.00 N ATOM 103 NH2 ARG A 658 -8.425 -5.392 -5.060 1.00 0.00 N ATOM 0 H ARG A 658 -7.549 -7.086 -10.773 1.00 0.00 H new ATOM 0 HA ARG A 658 -8.966 -9.578 -10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 658 -9.866 -6.772 -11.132 1.00 0.00 H new ATOM 0 HB3 ARG A 658 -10.962 -8.122 -10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 658 -11.048 -6.857 -8.890 1.00 0.00 H new ATOM 0 HG3 ARG A 658 -10.156 -8.318 -8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 658 -8.014 -7.082 -8.661 1.00 0.00 H new ATOM 0 HD3 ARG A 658 -8.863 -5.622 -9.128 1.00 0.00 H new ATOM 0 HE ARG A 658 -10.049 -6.264 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 658 -6.644 -5.963 -7.670 1.00 0.00 H new ATOM 0 HH12 ARG A 658 -6.147 -5.349 -6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 658 -9.386 -5.451 -4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 658 -7.687 -5.062 -4.438 1.00 0.00 H new ATOM 117 N PHE A 659 -8.498 -10.319 -12.832 1.00 0.00 N ATOM 118 CA PHE A 659 -8.575 -10.882 -14.196 1.00 0.00 C ATOM 119 C PHE A 659 -10.000 -11.392 -14.490 1.00 0.00 C ATOM 120 O PHE A 659 -10.288 -12.589 -14.421 1.00 0.00 O ATOM 121 CB PHE A 659 -7.459 -11.957 -14.469 1.00 0.00 C ATOM 122 CG PHE A 659 -6.976 -12.760 -13.259 1.00 0.00 C ATOM 123 CD1 PHE A 659 -7.739 -13.788 -12.719 1.00 0.00 C ATOM 124 CD2 PHE A 659 -5.744 -12.474 -12.662 1.00 0.00 C ATOM 125 CE1 PHE A 659 -7.290 -14.504 -11.626 1.00 0.00 C ATOM 126 CE2 PHE A 659 -5.299 -13.187 -11.566 1.00 0.00 C ATOM 127 CZ PHE A 659 -6.072 -14.204 -11.048 1.00 0.00 C ATOM 0 H PHE A 659 -8.011 -10.920 -12.167 1.00 0.00 H new ATOM 0 HA PHE A 659 -8.369 -10.080 -14.904 1.00 0.00 H new ATOM 0 HB2 PHE A 659 -7.834 -12.657 -15.216 1.00 0.00 H new ATOM 0 HB3 PHE A 659 -6.599 -11.452 -14.909 1.00 0.00 H new ATOM 0 HD1 PHE A 659 -8.695 -14.030 -13.159 1.00 0.00 H new ATOM 0 HD2 PHE A 659 -5.130 -11.682 -13.065 1.00 0.00 H new ATOM 0 HE1 PHE A 659 -7.895 -15.302 -11.222 1.00 0.00 H new ATOM 0 HE2 PHE A 659 -4.347 -12.948 -11.116 1.00 0.00 H new ATOM 0 HZ PHE A 659 -5.726 -14.765 -10.192 1.00 0.00 H new ATOM 137 N GLU A 660 -10.900 -10.427 -14.769 1.00 0.00 N ATOM 138 CA GLU A 660 -12.347 -10.657 -14.970 1.00 0.00 C ATOM 139 C GLU A 660 -12.824 -9.914 -16.228 1.00 0.00 C ATOM 140 O GLU A 660 -12.182 -8.950 -16.667 1.00 0.00 O ATOM 141 CB GLU A 660 -13.146 -10.137 -13.744 1.00 0.00 C ATOM 142 CG GLU A 660 -12.735 -10.740 -12.389 1.00 0.00 C ATOM 143 CD GLU A 660 -13.501 -10.121 -11.211 1.00 0.00 C ATOM 144 OE1 GLU A 660 -13.182 -8.973 -10.832 1.00 0.00 O ATOM 145 OE2 GLU A 660 -14.454 -10.750 -10.695 1.00 0.00 O ATOM 0 H GLU A 660 -10.637 -9.446 -14.863 1.00 0.00 H new ATOM 0 HA GLU A 660 -12.516 -11.727 -15.087 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -13.034 -9.054 -13.690 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -14.204 -10.340 -13.908 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -12.910 -11.816 -12.406 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -11.665 -10.593 -12.240 1.00 0.00 H new ATOM 152 N CYS A 661 -13.951 -10.353 -16.799 1.00 0.00 N ATOM 153 CA CYS A 661 -14.528 -9.717 -17.989 1.00 0.00 C ATOM 154 C CYS A 661 -15.375 -8.494 -17.598 1.00 0.00 C ATOM 155 O CYS A 661 -16.008 -8.502 -16.536 1.00 0.00 O ATOM 156 CB CYS A 661 -15.364 -10.710 -18.806 1.00 0.00 C ATOM 157 SG CYS A 661 -15.756 -10.067 -20.462 1.00 0.00 S ATOM 0 H CYS A 661 -14.484 -11.151 -16.454 1.00 0.00 H new ATOM 0 HA CYS A 661 -13.702 -9.381 -18.615 1.00 0.00 H new ATOM 0 HB2 CYS A 661 -14.820 -11.650 -18.901 1.00 0.00 H new ATOM 0 HB3 CYS A 661 -16.289 -10.929 -18.274 1.00 0.00 H new ATOM 162 N ILE A 662 -15.397 -7.456 -18.470 1.00 0.00 N ATOM 163 CA ILE A 662 -16.116 -6.182 -18.198 1.00 0.00 C ATOM 164 C ILE A 662 -17.647 -6.369 -18.025 1.00 0.00 C ATOM 165 O ILE A 662 -18.285 -5.585 -17.316 1.00 0.00 O ATOM 166 CB ILE A 662 -15.826 -5.097 -19.310 1.00 0.00 C ATOM 167 CG1 ILE A 662 -16.169 -5.641 -20.739 1.00 0.00 C ATOM 168 CG2 ILE A 662 -14.357 -4.600 -19.229 1.00 0.00 C ATOM 169 CD1 ILE A 662 -16.030 -4.625 -21.865 1.00 0.00 C ATOM 0 H ILE A 662 -14.923 -7.475 -19.373 1.00 0.00 H new ATOM 0 HA ILE A 662 -15.723 -5.825 -17.246 1.00 0.00 H new ATOM 0 HB ILE A 662 -16.477 -4.243 -19.123 1.00 0.00 H new ATOM 0 HG12 ILE A 662 -15.520 -6.490 -20.954 1.00 0.00 H new ATOM 0 HG13 ILE A 662 -17.192 -6.016 -20.733 1.00 0.00 H new ATOM 0 HG21 ILE A 662 -14.182 -3.854 -20.004 1.00 0.00 H new ATOM 0 HG22 ILE A 662 -14.177 -4.155 -18.250 1.00 0.00 H new ATOM 0 HG23 ILE A 662 -13.680 -5.441 -19.375 1.00 0.00 H new ATOM 0 HD11 ILE A 662 -16.289 -5.096 -22.814 1.00 0.00 H new ATOM 0 HD12 ILE A 662 -16.700 -3.785 -21.682 1.00 0.00 H new ATOM 0 HD13 ILE A 662 -15.002 -4.266 -21.906 1.00 0.00 H new ATOM 181 N CYS A 663 -18.225 -7.406 -18.660 1.00 0.00 N ATOM 182 CA CYS A 663 -19.676 -7.712 -18.522 1.00 0.00 C ATOM 183 C CYS A 663 -19.968 -8.480 -17.212 1.00 0.00 C ATOM 184 O CYS A 663 -21.118 -8.512 -16.753 1.00 0.00 O ATOM 185 CB CYS A 663 -20.183 -8.543 -19.719 1.00 0.00 C ATOM 186 SG CYS A 663 -19.503 -10.231 -19.799 1.00 0.00 S ATOM 0 H CYS A 663 -17.720 -8.047 -19.272 1.00 0.00 H new ATOM 0 HA CYS A 663 -20.202 -6.757 -18.497 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -21.270 -8.603 -19.670 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -19.934 -8.019 -20.642 1.00 0.00 H new ATOM 191 N GLY A 664 -18.920 -9.095 -16.620 1.00 0.00 N ATOM 192 CA GLY A 664 -19.067 -9.925 -15.416 1.00 0.00 C ATOM 193 C GLY A 664 -19.745 -11.257 -15.720 1.00 0.00 C ATOM 194 O GLY A 664 -20.827 -11.550 -15.198 1.00 0.00 O ATOM 0 H GLY A 664 -17.962 -9.028 -16.963 1.00 0.00 H new ATOM 0 HA2 GLY A 664 -18.085 -10.109 -14.980 1.00 0.00 H new ATOM 0 HA3 GLY A 664 -19.650 -9.383 -14.671 1.00 0.00 H new ATOM 198 N GLU A 665 -19.090 -12.065 -16.567 1.00 0.00 N ATOM 199 CA GLU A 665 -19.652 -13.326 -17.109 1.00 0.00 C ATOM 200 C GLU A 665 -18.485 -14.309 -17.400 1.00 0.00 C ATOM 201 O GLU A 665 -17.337 -13.861 -17.567 1.00 0.00 O ATOM 202 CB GLU A 665 -20.483 -12.979 -18.391 1.00 0.00 C ATOM 203 CG GLU A 665 -21.696 -13.876 -18.716 1.00 0.00 C ATOM 204 CD GLU A 665 -21.359 -15.311 -19.148 1.00 0.00 C ATOM 205 OE1 GLU A 665 -20.711 -15.490 -20.204 1.00 0.00 O ATOM 206 OE2 GLU A 665 -21.740 -16.259 -18.439 1.00 0.00 O ATOM 0 H GLU A 665 -18.147 -11.866 -16.902 1.00 0.00 H new ATOM 0 HA GLU A 665 -20.318 -13.814 -16.398 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -20.839 -11.953 -18.294 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -19.808 -13.003 -19.246 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -22.339 -13.921 -17.837 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -22.274 -13.402 -19.509 1.00 0.00 H new ATOM 213 N LEU A 666 -18.812 -15.628 -17.459 1.00 0.00 N ATOM 214 CA LEU A 666 -17.854 -16.765 -17.608 1.00 0.00 C ATOM 215 C LEU A 666 -16.739 -16.519 -18.653 1.00 0.00 C ATOM 216 O LEU A 666 -17.020 -16.226 -19.811 1.00 0.00 O ATOM 217 CB LEU A 666 -18.631 -18.051 -18.010 1.00 0.00 C ATOM 218 CG LEU A 666 -19.749 -18.536 -17.031 1.00 0.00 C ATOM 219 CD1 LEU A 666 -20.554 -19.695 -17.652 1.00 0.00 C ATOM 220 CD2 LEU A 666 -19.177 -18.933 -15.650 1.00 0.00 C ATOM 0 H LEU A 666 -19.781 -15.943 -17.403 1.00 0.00 H new ATOM 0 HA LEU A 666 -17.366 -16.873 -16.639 1.00 0.00 H new ATOM 0 HB2 LEU A 666 -19.085 -17.882 -18.986 1.00 0.00 H new ATOM 0 HB3 LEU A 666 -17.910 -18.860 -18.129 1.00 0.00 H new ATOM 0 HG LEU A 666 -20.425 -17.697 -16.867 1.00 0.00 H new ATOM 0 HD11 LEU A 666 -21.326 -20.017 -16.954 1.00 0.00 H new ATOM 0 HD12 LEU A 666 -21.020 -19.359 -18.579 1.00 0.00 H new ATOM 0 HD13 LEU A 666 -19.886 -20.530 -17.864 1.00 0.00 H new ATOM 0 HD21 LEU A 666 -19.988 -19.264 -15.002 1.00 0.00 H new ATOM 0 HD22 LEU A 666 -18.458 -19.743 -15.773 1.00 0.00 H new ATOM 0 HD23 LEU A 666 -18.681 -18.073 -15.201 1.00 0.00 H new ATOM 232 N ASP A 667 -15.479 -16.697 -18.229 1.00 0.00 N ATOM 233 CA ASP A 667 -14.270 -16.478 -19.073 1.00 0.00 C ATOM 234 C ASP A 667 -13.843 -17.781 -19.806 1.00 0.00 C ATOM 235 O ASP A 667 -12.647 -18.032 -20.028 1.00 0.00 O ATOM 236 CB ASP A 667 -13.124 -15.918 -18.175 1.00 0.00 C ATOM 237 CG ASP A 667 -12.737 -16.848 -17.001 1.00 0.00 C ATOM 238 OD1 ASP A 667 -13.522 -16.956 -16.029 1.00 0.00 O ATOM 239 OD2 ASP A 667 -11.668 -17.492 -17.042 1.00 0.00 O ATOM 0 H ASP A 667 -15.256 -17.001 -17.281 1.00 0.00 H new ATOM 0 HA ASP A 667 -14.500 -15.751 -19.852 1.00 0.00 H new ATOM 0 HB2 ASP A 667 -12.243 -15.744 -18.793 1.00 0.00 H new ATOM 0 HB3 ASP A 667 -13.429 -14.951 -17.775 1.00 0.00 H new ATOM 244 N GLN A 668 -14.841 -18.564 -20.263 1.00 0.00 N ATOM 245 CA GLN A 668 -14.632 -19.888 -20.894 1.00 0.00 C ATOM 246 C GLN A 668 -15.451 -20.014 -22.206 1.00 0.00 C ATOM 247 O GLN A 668 -16.533 -19.428 -22.325 1.00 0.00 O ATOM 248 CB GLN A 668 -15.012 -21.004 -19.887 1.00 0.00 C ATOM 249 CG GLN A 668 -16.456 -20.911 -19.343 1.00 0.00 C ATOM 250 CD GLN A 668 -16.735 -21.865 -18.179 1.00 0.00 C ATOM 251 OE1 GLN A 668 -17.136 -23.011 -18.376 1.00 0.00 O ATOM 252 NE2 GLN A 668 -16.526 -21.397 -16.953 1.00 0.00 N ATOM 0 H GLN A 668 -15.823 -18.295 -20.205 1.00 0.00 H new ATOM 0 HA GLN A 668 -13.580 -19.995 -21.159 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -14.881 -21.972 -20.370 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -14.318 -20.970 -19.047 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -16.648 -19.888 -19.018 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -17.155 -21.124 -20.152 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -16.193 -20.442 -16.822 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -16.698 -21.993 -16.143 1.00 0.00 H new ATOM 261 N ILE A 669 -14.916 -20.808 -23.180 1.00 0.00 N ATOM 262 CA ILE A 669 -15.526 -20.993 -24.534 1.00 0.00 C ATOM 263 C ILE A 669 -16.795 -21.888 -24.460 1.00 0.00 C ATOM 264 O ILE A 669 -17.567 -21.972 -25.423 1.00 0.00 O ATOM 265 CB ILE A 669 -14.485 -21.612 -25.569 1.00 0.00 C ATOM 266 CG1 ILE A 669 -13.085 -20.937 -25.441 1.00 0.00 C ATOM 267 CG2 ILE A 669 -15.001 -21.492 -27.032 1.00 0.00 C ATOM 268 CD1 ILE A 669 -11.996 -21.499 -26.345 1.00 0.00 C ATOM 0 H ILE A 669 -14.053 -21.336 -23.050 1.00 0.00 H new ATOM 0 HA ILE A 669 -15.814 -20.004 -24.890 1.00 0.00 H new ATOM 0 HB ILE A 669 -14.382 -22.669 -25.324 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -13.194 -19.873 -25.653 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -12.753 -21.024 -24.406 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -14.268 -21.924 -27.713 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -15.946 -22.027 -27.130 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -15.152 -20.441 -27.280 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -11.066 -20.957 -26.174 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -11.847 -22.555 -26.122 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -12.295 -21.387 -27.387 1.00 0.00 H new ATOM 280 N ASP A 670 -16.995 -22.521 -23.280 1.00 0.00 N ATOM 281 CA ASP A 670 -18.128 -23.435 -22.977 1.00 0.00 C ATOM 282 C ASP A 670 -19.495 -22.864 -23.417 1.00 0.00 C ATOM 283 O ASP A 670 -20.372 -23.608 -23.874 1.00 0.00 O ATOM 284 CB ASP A 670 -18.138 -23.732 -21.456 1.00 0.00 C ATOM 285 CG ASP A 670 -19.251 -24.706 -21.016 1.00 0.00 C ATOM 286 OD1 ASP A 670 -19.106 -25.931 -21.239 1.00 0.00 O ATOM 287 OD2 ASP A 670 -20.258 -24.255 -20.419 1.00 0.00 O ATOM 0 H ASP A 670 -16.358 -22.409 -22.491 1.00 0.00 H new ATOM 0 HA ASP A 670 -17.979 -24.352 -23.547 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -17.172 -24.147 -21.171 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -18.254 -22.794 -20.913 1.00 0.00 H new ATOM 292 N ARG A 671 -19.665 -21.547 -23.266 1.00 0.00 N ATOM 293 CA ARG A 671 -20.856 -20.832 -23.756 1.00 0.00 C ATOM 294 C ARG A 671 -20.455 -19.838 -24.864 1.00 0.00 C ATOM 295 O ARG A 671 -20.963 -19.914 -25.989 1.00 0.00 O ATOM 296 CB ARG A 671 -21.582 -20.104 -22.591 1.00 0.00 C ATOM 297 CG ARG A 671 -22.843 -19.306 -23.010 1.00 0.00 C ATOM 298 CD ARG A 671 -23.931 -20.168 -23.676 1.00 0.00 C ATOM 299 NE ARG A 671 -25.028 -19.345 -24.221 1.00 0.00 N ATOM 300 CZ ARG A 671 -26.003 -19.776 -25.045 1.00 0.00 C ATOM 301 NH1 ARG A 671 -26.075 -21.054 -25.424 1.00 0.00 N ATOM 302 NH2 ARG A 671 -26.905 -18.912 -25.484 1.00 0.00 N ATOM 0 H ARG A 671 -18.985 -20.944 -22.802 1.00 0.00 H new ATOM 0 HA ARG A 671 -21.552 -21.558 -24.177 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -21.868 -20.842 -21.842 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -20.879 -19.421 -22.113 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -23.265 -18.822 -22.129 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -22.548 -18.514 -23.698 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -23.487 -20.758 -24.478 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -24.333 -20.872 -22.947 1.00 0.00 H new ATOM 0 HE ARG A 671 -25.050 -18.362 -23.950 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -25.384 -21.725 -25.089 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -26.821 -21.359 -26.049 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -26.856 -17.934 -25.198 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -27.649 -19.224 -26.108 1.00 0.00 H new ATOM 316 N LYS A 672 -19.550 -18.899 -24.538 1.00 0.00 N ATOM 317 CA LYS A 672 -19.194 -17.773 -25.438 1.00 0.00 C ATOM 318 C LYS A 672 -17.681 -17.744 -25.745 1.00 0.00 C ATOM 319 O LYS A 672 -16.882 -18.102 -24.880 1.00 0.00 O ATOM 320 CB LYS A 672 -19.608 -16.415 -24.796 1.00 0.00 C ATOM 321 CG LYS A 672 -21.116 -16.244 -24.513 1.00 0.00 C ATOM 322 CD LYS A 672 -22.005 -16.383 -25.769 1.00 0.00 C ATOM 323 CE LYS A 672 -21.694 -15.332 -26.850 1.00 0.00 C ATOM 324 NZ LYS A 672 -22.639 -15.420 -27.987 1.00 0.00 N ATOM 0 H LYS A 672 -19.045 -18.893 -23.652 1.00 0.00 H new ATOM 0 HA LYS A 672 -19.735 -17.924 -26.372 1.00 0.00 H new ATOM 0 HB2 LYS A 672 -19.065 -16.296 -23.859 1.00 0.00 H new ATOM 0 HB3 LYS A 672 -19.286 -15.609 -25.455 1.00 0.00 H new ATOM 0 HG2 LYS A 672 -21.425 -16.986 -23.777 1.00 0.00 H new ATOM 0 HG3 LYS A 672 -21.284 -15.264 -24.067 1.00 0.00 H new ATOM 0 HD2 LYS A 672 -21.873 -17.379 -26.191 1.00 0.00 H new ATOM 0 HD3 LYS A 672 -23.052 -16.296 -25.477 1.00 0.00 H new ATOM 0 HE2 LYS A 672 -21.743 -14.335 -26.413 1.00 0.00 H new ATOM 0 HE3 LYS A 672 -20.675 -15.472 -27.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 672 -22.399 -14.697 -28.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 672 -22.575 -16.363 -28.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 672 -23.608 -15.261 -27.646 1.00 0.00 H new ATOM 338 N PRO A 673 -17.266 -17.288 -26.980 1.00 0.00 N ATOM 339 CA PRO A 673 -15.839 -17.031 -27.313 1.00 0.00 C ATOM 340 C PRO A 673 -15.169 -16.086 -26.293 1.00 0.00 C ATOM 341 O PRO A 673 -15.760 -15.071 -25.906 1.00 0.00 O ATOM 342 CB PRO A 673 -15.918 -16.374 -28.717 1.00 0.00 C ATOM 343 CG PRO A 673 -17.181 -16.914 -29.308 1.00 0.00 C ATOM 344 CD PRO A 673 -18.147 -17.028 -28.157 1.00 0.00 C ATOM 0 HA PRO A 673 -15.234 -17.937 -27.292 1.00 0.00 H new ATOM 0 HB2 PRO A 673 -15.945 -15.287 -28.646 1.00 0.00 H new ATOM 0 HB3 PRO A 673 -15.052 -16.632 -29.326 1.00 0.00 H new ATOM 0 HG2 PRO A 673 -17.568 -16.250 -30.081 1.00 0.00 H new ATOM 0 HG3 PRO A 673 -17.012 -17.884 -29.776 1.00 0.00 H new ATOM 0 HD2 PRO A 673 -18.727 -16.114 -28.029 1.00 0.00 H new ATOM 0 HD3 PRO A 673 -18.859 -17.839 -28.311 1.00 0.00 H new ATOM 352 N ARG A 674 -13.939 -16.419 -25.870 1.00 0.00 N ATOM 353 CA ARG A 674 -13.221 -15.693 -24.806 1.00 0.00 C ATOM 354 C ARG A 674 -11.763 -15.452 -25.205 1.00 0.00 C ATOM 355 O ARG A 674 -11.220 -16.178 -26.033 1.00 0.00 O ATOM 356 CB ARG A 674 -13.347 -16.479 -23.470 1.00 0.00 C ATOM 357 CG ARG A 674 -12.865 -17.949 -23.512 1.00 0.00 C ATOM 358 CD ARG A 674 -11.372 -18.137 -23.208 1.00 0.00 C ATOM 359 NE ARG A 674 -10.930 -19.530 -23.397 1.00 0.00 N ATOM 360 CZ ARG A 674 -10.754 -20.448 -22.433 1.00 0.00 C ATOM 361 NH1 ARG A 674 -11.023 -20.172 -21.164 1.00 0.00 N ATOM 362 NH2 ARG A 674 -10.311 -21.649 -22.760 1.00 0.00 N ATOM 0 H ARG A 674 -13.411 -17.202 -26.257 1.00 0.00 H new ATOM 0 HA ARG A 674 -13.671 -14.711 -24.662 1.00 0.00 H new ATOM 0 HB2 ARG A 674 -12.780 -15.951 -22.704 1.00 0.00 H new ATOM 0 HB3 ARG A 674 -14.392 -16.466 -23.159 1.00 0.00 H new ATOM 0 HG2 ARG A 674 -13.445 -18.529 -22.794 1.00 0.00 H new ATOM 0 HG3 ARG A 674 -13.077 -18.360 -24.499 1.00 0.00 H new ATOM 0 HD2 ARG A 674 -10.787 -17.483 -23.855 1.00 0.00 H new ATOM 0 HD3 ARG A 674 -11.172 -17.832 -22.181 1.00 0.00 H new ATOM 0 HE ARG A 674 -10.739 -19.826 -24.354 1.00 0.00 H new ATOM 0 HH11 ARG A 674 -11.370 -19.248 -20.906 1.00 0.00 H new ATOM 0 HH12 ARG A 674 -10.883 -20.883 -20.447 1.00 0.00 H new ATOM 0 HH21 ARG A 674 -10.107 -21.869 -23.735 1.00 0.00 H new ATOM 0 HH22 ARG A 674 -10.173 -22.356 -22.038 1.00 0.00 H new ATOM 376 N VAL A 675 -11.137 -14.430 -24.600 1.00 0.00 N ATOM 377 CA VAL A 675 -9.756 -14.027 -24.899 1.00 0.00 C ATOM 378 C VAL A 675 -8.928 -13.873 -23.605 1.00 0.00 C ATOM 379 O VAL A 675 -9.362 -13.237 -22.632 1.00 0.00 O ATOM 380 CB VAL A 675 -9.718 -12.693 -25.751 1.00 0.00 C ATOM 381 CG1 VAL A 675 -10.392 -12.894 -27.125 1.00 0.00 C ATOM 382 CG2 VAL A 675 -10.364 -11.490 -25.019 1.00 0.00 C ATOM 0 H VAL A 675 -11.580 -13.856 -23.883 1.00 0.00 H new ATOM 0 HA VAL A 675 -9.306 -14.820 -25.496 1.00 0.00 H new ATOM 0 HB VAL A 675 -8.664 -12.457 -25.896 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -10.352 -11.962 -27.690 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -9.869 -13.675 -27.676 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -11.432 -13.186 -26.981 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -10.307 -10.605 -25.653 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -11.408 -11.714 -24.802 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -9.831 -11.303 -24.087 1.00 0.00 H new ATOM 392 N GLN A 676 -7.754 -14.522 -23.600 1.00 0.00 N ATOM 393 CA GLN A 676 -6.729 -14.368 -22.554 1.00 0.00 C ATOM 394 C GLN A 676 -5.823 -13.191 -22.944 1.00 0.00 C ATOM 395 O GLN A 676 -4.870 -13.361 -23.711 1.00 0.00 O ATOM 396 CB GLN A 676 -5.897 -15.687 -22.383 1.00 0.00 C ATOM 397 CG GLN A 676 -6.556 -16.792 -21.530 1.00 0.00 C ATOM 398 CD GLN A 676 -7.964 -17.172 -21.971 1.00 0.00 C ATOM 399 OE1 GLN A 676 -8.149 -18.043 -22.819 1.00 0.00 O ATOM 400 NE2 GLN A 676 -8.968 -16.505 -21.405 1.00 0.00 N ATOM 0 H GLN A 676 -7.485 -15.178 -24.333 1.00 0.00 H new ATOM 0 HA GLN A 676 -7.205 -14.167 -21.594 1.00 0.00 H new ATOM 0 HB2 GLN A 676 -5.689 -16.094 -23.373 1.00 0.00 H new ATOM 0 HB3 GLN A 676 -4.937 -15.433 -21.935 1.00 0.00 H new ATOM 0 HG2 GLN A 676 -5.927 -17.681 -21.560 1.00 0.00 H new ATOM 0 HG3 GLN A 676 -6.590 -16.461 -20.492 1.00 0.00 H new ATOM 0 HE21 GLN A 676 -8.774 -15.789 -20.705 1.00 0.00 H new ATOM 0 HE22 GLN A 676 -9.931 -16.710 -21.672 1.00 0.00 H new ATOM 409 N CYS A 677 -6.163 -11.983 -22.458 1.00 0.00 N ATOM 410 CA CYS A 677 -5.380 -10.767 -22.740 1.00 0.00 C ATOM 411 C CYS A 677 -3.978 -10.868 -22.114 1.00 0.00 C ATOM 412 O CYS A 677 -3.768 -10.475 -20.957 1.00 0.00 O ATOM 413 CB CYS A 677 -6.095 -9.497 -22.239 1.00 0.00 C ATOM 414 SG CYS A 677 -5.229 -7.965 -22.695 1.00 0.00 S ATOM 0 H CYS A 677 -6.978 -11.823 -21.866 1.00 0.00 H new ATOM 0 HA CYS A 677 -5.281 -10.689 -23.823 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -7.106 -9.471 -22.647 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -6.190 -9.545 -21.154 1.00 0.00 H new ATOM 419 N LEU A 678 -3.045 -11.419 -22.911 1.00 0.00 N ATOM 420 CA LEU A 678 -1.650 -11.708 -22.508 1.00 0.00 C ATOM 421 C LEU A 678 -0.889 -10.443 -22.062 1.00 0.00 C ATOM 422 O LEU A 678 0.022 -10.506 -21.232 1.00 0.00 O ATOM 423 CB LEU A 678 -0.945 -12.453 -23.691 1.00 0.00 C ATOM 424 CG LEU A 678 -1.004 -11.771 -25.116 1.00 0.00 C ATOM 425 CD1 LEU A 678 0.098 -10.709 -25.313 1.00 0.00 C ATOM 426 CD2 LEU A 678 -0.973 -12.812 -26.265 1.00 0.00 C ATOM 0 H LEU A 678 -3.241 -11.683 -23.876 1.00 0.00 H new ATOM 0 HA LEU A 678 -1.652 -12.351 -21.628 1.00 0.00 H new ATOM 0 HB2 LEU A 678 0.103 -12.590 -23.426 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.386 -13.447 -23.774 1.00 0.00 H new ATOM 0 HG LEU A 678 -1.964 -11.256 -25.157 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.010 -10.274 -26.308 1.00 0.00 H new ATOM 0 HD12 LEU A 678 -0.013 -9.926 -24.563 1.00 0.00 H new ATOM 0 HD13 LEU A 678 1.077 -11.176 -25.207 1.00 0.00 H new ATOM 0 HD21 LEU A 678 -1.016 -12.296 -27.224 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.052 -13.392 -26.205 1.00 0.00 H new ATOM 0 HD23 LEU A 678 -1.829 -13.480 -26.174 1.00 0.00 H new ATOM 438 N LYS A 679 -1.313 -9.296 -22.609 1.00 0.00 N ATOM 439 CA LYS A 679 -0.649 -8.005 -22.412 1.00 0.00 C ATOM 440 C LYS A 679 -0.832 -7.451 -20.983 1.00 0.00 C ATOM 441 O LYS A 679 -0.031 -6.627 -20.537 1.00 0.00 O ATOM 442 CB LYS A 679 -1.163 -7.021 -23.492 1.00 0.00 C ATOM 443 CG LYS A 679 -0.475 -5.630 -23.525 1.00 0.00 C ATOM 444 CD LYS A 679 -0.453 -5.006 -24.941 1.00 0.00 C ATOM 445 CE LYS A 679 0.494 -5.767 -25.899 1.00 0.00 C ATOM 446 NZ LYS A 679 0.576 -5.145 -27.244 1.00 0.00 N ATOM 0 H LYS A 679 -2.137 -9.240 -23.208 1.00 0.00 H new ATOM 0 HA LYS A 679 0.427 -8.140 -22.524 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -1.041 -7.488 -24.469 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -2.232 -6.872 -23.341 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -0.995 -4.956 -22.844 1.00 0.00 H new ATOM 0 HG3 LYS A 679 0.547 -5.726 -23.159 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -1.462 -5.008 -25.353 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -0.138 -3.965 -24.873 1.00 0.00 H new ATOM 0 HE2 LYS A 679 1.491 -5.806 -25.461 1.00 0.00 H new ATOM 0 HE3 LYS A 679 0.150 -6.796 -26.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 0.458 -5.877 -27.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -0.175 -4.433 -27.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 1.503 -4.688 -27.359 1.00 0.00 H new ATOM 460 N CYS A 680 -1.866 -7.918 -20.248 1.00 0.00 N ATOM 461 CA CYS A 680 -2.093 -7.464 -18.853 1.00 0.00 C ATOM 462 C CYS A 680 -2.660 -8.591 -17.960 1.00 0.00 C ATOM 463 O CYS A 680 -3.122 -8.313 -16.846 1.00 0.00 O ATOM 464 CB CYS A 680 -3.019 -6.223 -18.839 1.00 0.00 C ATOM 465 SG CYS A 680 -4.774 -6.570 -19.174 1.00 0.00 S ATOM 0 H CYS A 680 -2.547 -8.597 -20.588 1.00 0.00 H new ATOM 0 HA CYS A 680 -1.126 -7.186 -18.433 1.00 0.00 H new ATOM 0 HB2 CYS A 680 -2.939 -5.740 -17.865 1.00 0.00 H new ATOM 0 HB3 CYS A 680 -2.657 -5.510 -19.580 1.00 0.00 H new ATOM 470 N HIS A 681 -2.572 -9.861 -18.446 1.00 0.00 N ATOM 471 CA HIS A 681 -3.080 -11.073 -17.739 1.00 0.00 C ATOM 472 C HIS A 681 -4.538 -10.860 -17.273 1.00 0.00 C ATOM 473 O HIS A 681 -4.817 -10.716 -16.082 1.00 0.00 O ATOM 474 CB HIS A 681 -2.150 -11.477 -16.550 1.00 0.00 C ATOM 475 CG HIS A 681 -0.741 -11.872 -16.944 1.00 0.00 C ATOM 476 ND1 HIS A 681 -0.067 -12.935 -16.373 1.00 0.00 N ATOM 477 CD2 HIS A 681 0.134 -11.317 -17.822 1.00 0.00 C ATOM 478 CE1 HIS A 681 1.145 -13.018 -16.884 1.00 0.00 C ATOM 479 NE2 HIS A 681 1.292 -12.050 -17.765 1.00 0.00 N ATOM 0 H HIS A 681 -2.143 -10.074 -19.347 1.00 0.00 H new ATOM 0 HA HIS A 681 -3.071 -11.903 -18.446 1.00 0.00 H new ATOM 0 HB2 HIS A 681 -2.095 -10.642 -15.852 1.00 0.00 H new ATOM 0 HB3 HIS A 681 -2.609 -12.309 -16.016 1.00 0.00 H new ATOM 0 HD2 HIS A 681 -0.048 -10.457 -18.449 1.00 0.00 H new ATOM 0 HE1 HIS A 681 1.891 -13.755 -16.624 1.00 0.00 H new ATOM 0 HE2 HIS A 681 2.132 -11.874 -18.316 1.00 0.00 H new ATOM 488 N LEU A 682 -5.451 -10.785 -18.248 1.00 0.00 N ATOM 489 CA LEU A 682 -6.853 -10.364 -18.028 1.00 0.00 C ATOM 490 C LEU A 682 -7.764 -11.280 -18.856 1.00 0.00 C ATOM 491 O LEU A 682 -7.630 -11.336 -20.084 1.00 0.00 O ATOM 492 CB LEU A 682 -6.984 -8.857 -18.453 1.00 0.00 C ATOM 493 CG LEU A 682 -8.282 -8.057 -18.083 1.00 0.00 C ATOM 494 CD1 LEU A 682 -9.529 -8.552 -18.834 1.00 0.00 C ATOM 495 CD2 LEU A 682 -8.529 -8.043 -16.565 1.00 0.00 C ATOM 0 H LEU A 682 -5.244 -11.015 -19.220 1.00 0.00 H new ATOM 0 HA LEU A 682 -7.148 -10.449 -16.982 1.00 0.00 H new ATOM 0 HB2 LEU A 682 -6.137 -8.322 -18.022 1.00 0.00 H new ATOM 0 HB3 LEU A 682 -6.871 -8.813 -19.536 1.00 0.00 H new ATOM 0 HG LEU A 682 -8.102 -7.033 -18.410 1.00 0.00 H new ATOM 0 HD11 LEU A 682 -10.393 -7.959 -18.535 1.00 0.00 H new ATOM 0 HD12 LEU A 682 -9.372 -8.449 -19.908 1.00 0.00 H new ATOM 0 HD13 LEU A 682 -9.707 -9.600 -18.593 1.00 0.00 H new ATOM 0 HD21 LEU A 682 -9.437 -7.479 -16.349 1.00 0.00 H new ATOM 0 HD22 LEU A 682 -8.643 -9.066 -16.205 1.00 0.00 H new ATOM 0 HD23 LEU A 682 -7.683 -7.574 -16.063 1.00 0.00 H new ATOM 507 N TRP A 683 -8.695 -11.979 -18.191 1.00 0.00 N ATOM 508 CA TRP A 683 -9.616 -12.917 -18.861 1.00 0.00 C ATOM 509 C TRP A 683 -10.873 -12.151 -19.280 1.00 0.00 C ATOM 510 O TRP A 683 -11.488 -11.478 -18.464 1.00 0.00 O ATOM 511 CB TRP A 683 -9.986 -14.118 -17.937 1.00 0.00 C ATOM 512 CG TRP A 683 -8.855 -14.687 -17.091 1.00 0.00 C ATOM 513 CD1 TRP A 683 -8.983 -15.175 -15.823 1.00 0.00 C ATOM 514 CD2 TRP A 683 -7.453 -14.839 -17.425 1.00 0.00 C ATOM 515 NE1 TRP A 683 -7.772 -15.577 -15.344 1.00 0.00 N ATOM 516 CE2 TRP A 683 -6.820 -15.386 -16.299 1.00 0.00 C ATOM 517 CE3 TRP A 683 -6.670 -14.553 -18.547 1.00 0.00 C ATOM 518 CZ2 TRP A 683 -5.458 -15.660 -16.258 1.00 0.00 C ATOM 519 CZ3 TRP A 683 -5.320 -14.825 -18.507 1.00 0.00 C ATOM 520 CH2 TRP A 683 -4.722 -15.367 -17.367 1.00 0.00 C ATOM 0 H TRP A 683 -8.833 -11.914 -17.182 1.00 0.00 H new ATOM 0 HA TRP A 683 -9.122 -13.333 -19.739 1.00 0.00 H new ATOM 0 HB2 TRP A 683 -10.788 -13.803 -17.270 1.00 0.00 H new ATOM 0 HB3 TRP A 683 -10.385 -14.919 -18.559 1.00 0.00 H new ATOM 0 HD1 TRP A 683 -9.913 -15.234 -15.276 1.00 0.00 H new ATOM 0 HE1 TRP A 683 -7.605 -15.961 -14.414 1.00 0.00 H new ATOM 0 HE3 TRP A 683 -7.117 -14.125 -19.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 683 -5.000 -16.089 -15.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 683 -4.712 -14.615 -19.374 1.00 0.00 H new ATOM 0 HH2 TRP A 683 -3.659 -15.557 -17.364 1.00 0.00 H new ATOM 531 N GLN A 684 -11.242 -12.243 -20.560 1.00 0.00 N ATOM 532 CA GLN A 684 -12.362 -11.472 -21.129 1.00 0.00 C ATOM 533 C GLN A 684 -13.120 -12.347 -22.154 1.00 0.00 C ATOM 534 O GLN A 684 -12.755 -13.503 -22.364 1.00 0.00 O ATOM 535 CB GLN A 684 -11.791 -10.172 -21.792 1.00 0.00 C ATOM 536 CG GLN A 684 -12.828 -9.046 -22.058 1.00 0.00 C ATOM 537 CD GLN A 684 -12.841 -7.905 -21.038 1.00 0.00 C ATOM 538 OE1 GLN A 684 -13.192 -6.787 -21.374 1.00 0.00 O ATOM 539 NE2 GLN A 684 -12.452 -8.167 -19.797 1.00 0.00 N ATOM 0 H GLN A 684 -10.777 -12.851 -21.234 1.00 0.00 H new ATOM 0 HA GLN A 684 -13.068 -11.183 -20.350 1.00 0.00 H new ATOM 0 HB2 GLN A 684 -11.004 -9.774 -21.151 1.00 0.00 H new ATOM 0 HB3 GLN A 684 -11.324 -10.443 -22.739 1.00 0.00 H new ATOM 0 HG2 GLN A 684 -12.636 -8.625 -23.045 1.00 0.00 H new ATOM 0 HG3 GLN A 684 -13.822 -9.492 -22.090 1.00 0.00 H new ATOM 0 HE21 GLN A 684 -12.163 -9.111 -19.542 1.00 0.00 H new ATOM 0 HE22 GLN A 684 -12.442 -7.424 -19.098 1.00 0.00 H new ATOM 548 N HIS A 685 -14.209 -11.813 -22.744 1.00 0.00 N ATOM 549 CA HIS A 685 -14.850 -12.410 -23.933 1.00 0.00 C ATOM 550 C HIS A 685 -14.312 -11.765 -25.213 1.00 0.00 C ATOM 551 O HIS A 685 -13.961 -10.580 -25.221 1.00 0.00 O ATOM 552 CB HIS A 685 -16.389 -12.253 -23.913 1.00 0.00 C ATOM 553 CG HIS A 685 -17.095 -13.146 -22.933 1.00 0.00 C ATOM 554 ND1 HIS A 685 -17.749 -12.616 -21.865 1.00 0.00 N ATOM 555 CD2 HIS A 685 -17.278 -14.491 -22.944 1.00 0.00 C ATOM 556 CE1 HIS A 685 -18.308 -13.619 -21.240 1.00 0.00 C ATOM 557 NE2 HIS A 685 -18.057 -14.781 -21.857 1.00 0.00 N ATOM 0 H HIS A 685 -14.665 -10.963 -22.413 1.00 0.00 H new ATOM 0 HA HIS A 685 -14.610 -13.473 -23.912 1.00 0.00 H new ATOM 0 HB2 HIS A 685 -16.632 -11.216 -23.681 1.00 0.00 H new ATOM 0 HB3 HIS A 685 -16.775 -12.455 -24.912 1.00 0.00 H new ATOM 0 HD2 HIS A 685 -16.887 -15.192 -23.666 1.00 0.00 H new ATOM 0 HE1 HIS A 685 -18.897 -13.523 -20.340 1.00 0.00 H new ATOM 0 HE2 HIS A 685 -18.384 -15.704 -21.572 1.00 0.00 H new ATOM 565 N ALA A 686 -14.291 -12.562 -26.284 1.00 0.00 N ATOM 566 CA ALA A 686 -13.969 -12.097 -27.636 1.00 0.00 C ATOM 567 C ALA A 686 -15.033 -11.090 -28.132 1.00 0.00 C ATOM 568 O ALA A 686 -14.710 -10.013 -28.625 1.00 0.00 O ATOM 569 CB ALA A 686 -13.861 -13.314 -28.566 1.00 0.00 C ATOM 0 H ALA A 686 -14.499 -13.559 -26.237 1.00 0.00 H new ATOM 0 HA ALA A 686 -13.013 -11.573 -27.632 1.00 0.00 H new ATOM 0 HB1 ALA A 686 -13.622 -12.980 -29.576 1.00 0.00 H new ATOM 0 HB2 ALA A 686 -13.074 -13.978 -28.207 1.00 0.00 H new ATOM 0 HB3 ALA A 686 -14.810 -13.849 -28.576 1.00 0.00 H new ATOM 575 N LYS A 687 -16.313 -11.452 -27.956 1.00 0.00 N ATOM 576 CA LYS A 687 -17.471 -10.599 -28.341 1.00 0.00 C ATOM 577 C LYS A 687 -17.530 -9.286 -27.513 1.00 0.00 C ATOM 578 O LYS A 687 -18.145 -8.307 -27.943 1.00 0.00 O ATOM 579 CB LYS A 687 -18.803 -11.416 -28.214 1.00 0.00 C ATOM 580 CG LYS A 687 -19.249 -12.166 -29.506 1.00 0.00 C ATOM 581 CD LYS A 687 -18.184 -13.129 -30.088 1.00 0.00 C ATOM 582 CE LYS A 687 -18.648 -13.787 -31.401 1.00 0.00 C ATOM 583 NZ LYS A 687 -19.023 -12.777 -32.433 1.00 0.00 N ATOM 0 H LYS A 687 -16.585 -12.344 -27.543 1.00 0.00 H new ATOM 0 HA LYS A 687 -17.340 -10.302 -29.382 1.00 0.00 H new ATOM 0 HB2 LYS A 687 -18.688 -12.145 -27.412 1.00 0.00 H new ATOM 0 HB3 LYS A 687 -19.600 -10.736 -27.915 1.00 0.00 H new ATOM 0 HG2 LYS A 687 -20.154 -12.734 -29.288 1.00 0.00 H new ATOM 0 HG3 LYS A 687 -19.510 -11.430 -30.267 1.00 0.00 H new ATOM 0 HD2 LYS A 687 -17.259 -12.580 -30.266 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -17.959 -13.904 -29.355 1.00 0.00 H new ATOM 0 HE2 LYS A 687 -17.852 -14.422 -31.789 1.00 0.00 H new ATOM 0 HE3 LYS A 687 -19.502 -14.434 -31.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -19.099 -13.241 -33.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -19.938 -12.349 -32.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -18.294 -12.036 -32.475 1.00 0.00 H new ATOM 597 N CYS A 688 -16.862 -9.272 -26.341 1.00 0.00 N ATOM 598 CA CYS A 688 -16.812 -8.083 -25.452 1.00 0.00 C ATOM 599 C CYS A 688 -15.648 -7.139 -25.816 1.00 0.00 C ATOM 600 O CYS A 688 -15.542 -6.043 -25.253 1.00 0.00 O ATOM 601 CB CYS A 688 -16.692 -8.515 -23.978 1.00 0.00 C ATOM 602 SG CYS A 688 -18.149 -9.386 -23.344 1.00 0.00 S ATOM 0 H CYS A 688 -16.345 -10.075 -25.983 1.00 0.00 H new ATOM 0 HA CYS A 688 -17.744 -7.536 -25.595 1.00 0.00 H new ATOM 0 HB2 CYS A 688 -15.820 -9.160 -23.869 1.00 0.00 H new ATOM 0 HB3 CYS A 688 -16.514 -7.632 -23.365 1.00 0.00 H new ATOM 607 N VAL A 689 -14.760 -7.573 -26.734 1.00 0.00 N ATOM 608 CA VAL A 689 -13.607 -6.766 -27.199 1.00 0.00 C ATOM 609 C VAL A 689 -13.682 -6.531 -28.723 1.00 0.00 C ATOM 610 O VAL A 689 -12.761 -5.938 -29.303 1.00 0.00 O ATOM 611 CB VAL A 689 -12.231 -7.443 -26.810 1.00 0.00 C ATOM 612 CG1 VAL A 689 -12.196 -7.783 -25.311 1.00 0.00 C ATOM 613 CG2 VAL A 689 -11.914 -8.698 -27.658 1.00 0.00 C ATOM 0 H VAL A 689 -14.820 -8.491 -27.175 1.00 0.00 H new ATOM 0 HA VAL A 689 -13.658 -5.801 -26.696 1.00 0.00 H new ATOM 0 HB VAL A 689 -11.453 -6.711 -27.029 1.00 0.00 H new ATOM 0 HG11 VAL A 689 -11.241 -8.248 -25.065 1.00 0.00 H new ATOM 0 HG12 VAL A 689 -12.316 -6.870 -24.728 1.00 0.00 H new ATOM 0 HG13 VAL A 689 -13.006 -8.473 -25.075 1.00 0.00 H new ATOM 0 HG21 VAL A 689 -10.958 -9.117 -27.344 1.00 0.00 H new ATOM 0 HG22 VAL A 689 -12.700 -9.440 -27.517 1.00 0.00 H new ATOM 0 HG23 VAL A 689 -11.861 -8.422 -28.711 1.00 0.00 H new ATOM 623 N ASN A 690 -14.805 -6.977 -29.340 1.00 0.00 N ATOM 624 CA ASN A 690 -15.028 -6.973 -30.809 1.00 0.00 C ATOM 625 C ASN A 690 -14.042 -7.951 -31.482 1.00 0.00 C ATOM 626 O ASN A 690 -13.021 -7.539 -32.041 1.00 0.00 O ATOM 627 CB ASN A 690 -14.941 -5.537 -31.435 1.00 0.00 C ATOM 628 CG ASN A 690 -15.926 -4.524 -30.840 1.00 0.00 C ATOM 629 OD1 ASN A 690 -16.998 -4.881 -30.354 1.00 0.00 O ATOM 630 ND2 ASN A 690 -15.567 -3.249 -30.874 1.00 0.00 N ATOM 0 H ASN A 690 -15.596 -7.357 -28.821 1.00 0.00 H new ATOM 0 HA ASN A 690 -16.048 -7.310 -30.994 1.00 0.00 H new ATOM 0 HB2 ASN A 690 -13.927 -5.158 -31.305 1.00 0.00 H new ATOM 0 HB3 ASN A 690 -15.119 -5.611 -32.508 1.00 0.00 H new ATOM 0 HD21 ASN A 690 -16.186 -2.535 -30.491 1.00 0.00 H new ATOM 0 HD22 ASN A 690 -14.672 -2.982 -31.283 1.00 0.00 H new ATOM 637 N TYR A 691 -14.345 -9.256 -31.361 1.00 0.00 N ATOM 638 CA TYR A 691 -13.442 -10.360 -31.768 1.00 0.00 C ATOM 639 C TYR A 691 -14.255 -11.683 -31.741 1.00 0.00 C ATOM 640 O TYR A 691 -15.397 -11.696 -31.265 1.00 0.00 O ATOM 641 CB TYR A 691 -12.237 -10.382 -30.774 1.00 0.00 C ATOM 642 CG TYR A 691 -11.013 -11.238 -31.141 1.00 0.00 C ATOM 643 CD1 TYR A 691 -10.029 -10.755 -32.009 1.00 0.00 C ATOM 644 CD2 TYR A 691 -10.816 -12.494 -30.577 1.00 0.00 C ATOM 645 CE1 TYR A 691 -8.904 -11.499 -32.292 1.00 0.00 C ATOM 646 CE2 TYR A 691 -9.698 -13.239 -30.865 1.00 0.00 C ATOM 647 CZ TYR A 691 -8.745 -12.738 -31.717 1.00 0.00 C ATOM 648 OH TYR A 691 -7.625 -13.479 -31.992 1.00 0.00 O ATOM 0 H TYR A 691 -15.231 -9.582 -30.975 1.00 0.00 H new ATOM 0 HA TYR A 691 -13.050 -10.228 -32.776 1.00 0.00 H new ATOM 0 HB2 TYR A 691 -11.898 -9.355 -30.638 1.00 0.00 H new ATOM 0 HB3 TYR A 691 -12.607 -10.726 -29.808 1.00 0.00 H new ATOM 0 HD1 TYR A 691 -10.152 -9.784 -32.465 1.00 0.00 H new ATOM 0 HD2 TYR A 691 -11.557 -12.892 -29.899 1.00 0.00 H new ATOM 0 HE1 TYR A 691 -8.151 -11.111 -32.962 1.00 0.00 H new ATOM 0 HE2 TYR A 691 -9.569 -14.216 -30.423 1.00 0.00 H new ATOM 0 HH TYR A 691 -7.809 -14.084 -32.740 1.00 0.00 H new ATOM 658 N ASP A 692 -13.678 -12.789 -32.230 1.00 0.00 N ATOM 659 CA ASP A 692 -14.382 -14.100 -32.313 1.00 0.00 C ATOM 660 C ASP A 692 -13.422 -15.264 -32.012 1.00 0.00 C ATOM 661 O ASP A 692 -12.203 -15.067 -31.957 1.00 0.00 O ATOM 662 CB ASP A 692 -15.018 -14.258 -33.716 1.00 0.00 C ATOM 663 CG ASP A 692 -13.980 -14.173 -34.844 1.00 0.00 C ATOM 664 OD1 ASP A 692 -13.607 -13.047 -35.237 1.00 0.00 O ATOM 665 OD2 ASP A 692 -13.505 -15.228 -35.320 1.00 0.00 O ATOM 0 H ASP A 692 -12.720 -12.813 -32.579 1.00 0.00 H new ATOM 0 HA ASP A 692 -15.170 -14.124 -31.560 1.00 0.00 H new ATOM 0 HB2 ASP A 692 -15.533 -15.217 -33.772 1.00 0.00 H new ATOM 0 HB3 ASP A 692 -15.771 -13.483 -33.860 1.00 0.00 H new ATOM 670 N GLU A 693 -13.983 -16.484 -31.838 1.00 0.00 N ATOM 671 CA GLU A 693 -13.186 -17.687 -31.497 1.00 0.00 C ATOM 672 C GLU A 693 -12.421 -18.242 -32.721 1.00 0.00 C ATOM 673 O GLU A 693 -11.316 -18.779 -32.563 1.00 0.00 O ATOM 674 CB GLU A 693 -14.050 -18.800 -30.833 1.00 0.00 C ATOM 675 CG GLU A 693 -15.260 -19.278 -31.660 1.00 0.00 C ATOM 676 CD GLU A 693 -16.040 -20.430 -31.001 1.00 0.00 C ATOM 677 OE1 GLU A 693 -15.604 -21.596 -31.125 1.00 0.00 O ATOM 678 OE2 GLU A 693 -17.088 -20.184 -30.366 1.00 0.00 O ATOM 0 H GLU A 693 -14.983 -16.661 -31.928 1.00 0.00 H new ATOM 0 HA GLU A 693 -12.449 -17.363 -30.762 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.411 -19.658 -30.626 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -14.410 -18.432 -29.872 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -15.935 -18.437 -31.819 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -14.914 -19.600 -32.642 1.00 0.00 H new ATOM 685 N LYS A 694 -12.980 -18.063 -33.931 1.00 0.00 N ATOM 686 CA LYS A 694 -12.387 -18.613 -35.179 1.00 0.00 C ATOM 687 C LYS A 694 -10.970 -18.039 -35.411 1.00 0.00 C ATOM 688 O LYS A 694 -10.049 -18.776 -35.786 1.00 0.00 O ATOM 689 CB LYS A 694 -13.310 -18.361 -36.414 1.00 0.00 C ATOM 690 CG LYS A 694 -14.534 -19.314 -36.538 1.00 0.00 C ATOM 691 CD LYS A 694 -15.542 -19.206 -35.371 1.00 0.00 C ATOM 692 CE LYS A 694 -16.687 -20.232 -35.479 1.00 0.00 C ATOM 693 NZ LYS A 694 -17.626 -20.147 -34.328 1.00 0.00 N ATOM 0 H LYS A 694 -13.844 -17.541 -34.079 1.00 0.00 H new ATOM 0 HA LYS A 694 -12.299 -19.693 -35.058 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -13.673 -17.334 -36.371 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -12.709 -18.449 -37.319 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -15.053 -19.101 -37.472 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -14.175 -20.341 -36.600 1.00 0.00 H new ATOM 0 HD2 LYS A 694 -15.016 -19.352 -34.427 1.00 0.00 H new ATOM 0 HD3 LYS A 694 -15.961 -18.200 -35.350 1.00 0.00 H new ATOM 0 HE2 LYS A 694 -17.235 -20.066 -36.406 1.00 0.00 H new ATOM 0 HE3 LYS A 694 -16.269 -21.237 -35.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 -18.442 -20.769 -34.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 -17.138 -20.446 -33.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 -17.955 -19.166 -34.220 1.00 0.00 H new ATOM 707 N ASN A 695 -10.795 -16.724 -35.149 1.00 0.00 N ATOM 708 CA ASN A 695 -9.467 -16.070 -35.242 1.00 0.00 C ATOM 709 C ASN A 695 -8.755 -16.021 -33.870 1.00 0.00 C ATOM 710 O ASN A 695 -7.611 -15.594 -33.793 1.00 0.00 O ATOM 711 CB ASN A 695 -9.559 -14.666 -35.923 1.00 0.00 C ATOM 712 CG ASN A 695 -10.034 -13.484 -35.059 1.00 0.00 C ATOM 713 OD1 ASN A 695 -9.651 -12.338 -35.308 1.00 0.00 O ATOM 714 ND2 ASN A 695 -10.853 -13.721 -34.057 1.00 0.00 N ATOM 0 H ASN A 695 -11.551 -16.097 -34.873 1.00 0.00 H new ATOM 0 HA ASN A 695 -8.844 -16.686 -35.890 1.00 0.00 H new ATOM 0 HB2 ASN A 695 -8.573 -14.419 -36.317 1.00 0.00 H new ATOM 0 HB3 ASN A 695 -10.232 -14.750 -36.776 1.00 0.00 H new ATOM 0 HD21 ASN A 695 -11.180 -12.951 -33.473 1.00 0.00 H new ATOM 0 HD22 ASN A 695 -11.160 -14.674 -33.864 1.00 0.00 H new ATOM 721 N LEU A 696 -9.428 -16.494 -32.793 1.00 0.00 N ATOM 722 CA LEU A 696 -8.781 -16.728 -31.463 1.00 0.00 C ATOM 723 C LEU A 696 -7.717 -17.836 -31.575 1.00 0.00 C ATOM 724 O LEU A 696 -6.708 -17.816 -30.861 1.00 0.00 O ATOM 725 CB LEU A 696 -9.847 -17.126 -30.400 1.00 0.00 C ATOM 726 CG LEU A 696 -9.354 -17.569 -28.983 1.00 0.00 C ATOM 727 CD1 LEU A 696 -8.815 -16.379 -28.169 1.00 0.00 C ATOM 728 CD2 LEU A 696 -10.473 -18.328 -28.219 1.00 0.00 C ATOM 0 H LEU A 696 -10.422 -16.724 -32.812 1.00 0.00 H new ATOM 0 HA LEU A 696 -8.299 -15.802 -31.148 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -10.518 -16.277 -30.268 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -10.442 -17.940 -30.814 1.00 0.00 H new ATOM 0 HG LEU A 696 -8.521 -18.258 -29.123 1.00 0.00 H new ATOM 0 HD11 LEU A 696 -8.483 -16.728 -27.191 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -7.976 -15.927 -28.698 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -9.604 -15.638 -28.041 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -10.106 -18.625 -27.237 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -11.339 -17.677 -28.101 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -10.761 -19.215 -28.783 1.00 0.00 H new ATOM 740 N LYS A 697 -7.966 -18.814 -32.464 1.00 0.00 N ATOM 741 CA LYS A 697 -6.983 -19.884 -32.777 1.00 0.00 C ATOM 742 C LYS A 697 -5.836 -19.394 -33.713 1.00 0.00 C ATOM 743 O LYS A 697 -4.895 -20.155 -33.965 1.00 0.00 O ATOM 744 CB LYS A 697 -7.688 -21.150 -33.392 1.00 0.00 C ATOM 745 CG LYS A 697 -8.390 -22.088 -32.365 1.00 0.00 C ATOM 746 CD LYS A 697 -9.765 -21.570 -31.882 1.00 0.00 C ATOM 747 CE LYS A 697 -10.868 -21.750 -32.947 1.00 0.00 C ATOM 748 NZ LYS A 697 -11.234 -23.170 -33.166 1.00 0.00 N ATOM 0 H LYS A 697 -8.840 -18.891 -32.983 1.00 0.00 H new ATOM 0 HA LYS A 697 -6.528 -20.164 -31.827 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -8.429 -20.816 -34.119 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -6.944 -21.730 -33.939 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -8.521 -23.071 -32.816 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -7.738 -22.218 -31.501 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -10.051 -22.100 -30.973 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -9.682 -20.514 -31.623 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -11.755 -21.195 -32.641 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -10.530 -21.318 -33.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -12.067 -23.222 -33.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -10.438 -23.669 -33.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -11.454 -23.616 -32.253 1.00 0.00 H new ATOM 762 N ILE A 698 -5.890 -18.132 -34.202 1.00 0.00 N ATOM 763 CA ILE A 698 -4.918 -17.610 -35.210 1.00 0.00 C ATOM 764 C ILE A 698 -4.197 -16.345 -34.678 1.00 0.00 C ATOM 765 O ILE A 698 -3.014 -16.365 -34.326 1.00 0.00 O ATOM 766 CB ILE A 698 -5.639 -17.226 -36.577 1.00 0.00 C ATOM 767 CG1 ILE A 698 -6.709 -18.285 -36.986 1.00 0.00 C ATOM 768 CG2 ILE A 698 -4.604 -17.006 -37.712 1.00 0.00 C ATOM 769 CD1 ILE A 698 -7.589 -17.864 -38.156 1.00 0.00 C ATOM 0 H ILE A 698 -6.595 -17.451 -33.918 1.00 0.00 H new ATOM 0 HA ILE A 698 -4.198 -18.409 -35.390 1.00 0.00 H new ATOM 0 HB ILE A 698 -6.164 -16.285 -36.413 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -6.203 -19.216 -37.243 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -7.344 -18.495 -36.125 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -5.124 -16.745 -38.633 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -3.928 -16.197 -37.436 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -4.032 -17.921 -37.865 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -8.305 -18.656 -38.376 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -8.126 -16.951 -37.898 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -6.967 -17.683 -39.033 1.00 0.00 H new ATOM 781 N LYS A 699 -4.978 -15.268 -34.628 1.00 0.00 N ATOM 782 CA LYS A 699 -4.535 -13.878 -34.403 1.00 0.00 C ATOM 783 C LYS A 699 -4.366 -13.505 -32.906 1.00 0.00 C ATOM 784 O LYS A 699 -4.874 -14.212 -32.039 1.00 0.00 O ATOM 785 CB LYS A 699 -5.605 -12.982 -35.084 1.00 0.00 C ATOM 786 CG LYS A 699 -5.557 -13.066 -36.626 1.00 0.00 C ATOM 787 CD LYS A 699 -6.801 -12.465 -37.302 1.00 0.00 C ATOM 788 CE LYS A 699 -6.992 -10.986 -36.976 1.00 0.00 C ATOM 789 NZ LYS A 699 -8.187 -10.407 -37.640 1.00 0.00 N ATOM 0 H LYS A 699 -5.989 -15.336 -34.748 1.00 0.00 H new ATOM 0 HA LYS A 699 -3.540 -13.737 -34.825 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.595 -13.279 -34.738 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -5.457 -11.947 -34.775 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -4.669 -12.546 -36.985 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -5.457 -14.110 -36.924 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -6.717 -12.587 -38.382 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -7.685 -13.020 -36.986 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -7.085 -10.864 -35.897 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -6.105 -10.432 -37.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -8.272 -9.402 -37.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -8.089 -10.497 -38.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -9.038 -10.916 -37.328 1.00 0.00 H new ATOM 803 N PRO A 700 -3.609 -12.387 -32.588 1.00 0.00 N ATOM 804 CA PRO A 700 -3.540 -11.790 -31.212 1.00 0.00 C ATOM 805 C PRO A 700 -4.918 -11.328 -30.689 1.00 0.00 C ATOM 806 O PRO A 700 -5.811 -10.995 -31.474 1.00 0.00 O ATOM 807 CB PRO A 700 -2.577 -10.578 -31.395 1.00 0.00 C ATOM 808 CG PRO A 700 -2.621 -10.292 -32.863 1.00 0.00 C ATOM 809 CD PRO A 700 -2.718 -11.640 -33.521 1.00 0.00 C ATOM 0 HA PRO A 700 -3.199 -12.513 -30.471 1.00 0.00 H new ATOM 0 HB2 PRO A 700 -2.905 -9.717 -30.812 1.00 0.00 H new ATOM 0 HB3 PRO A 700 -1.566 -10.819 -31.067 1.00 0.00 H new ATOM 0 HG2 PRO A 700 -3.477 -9.666 -33.117 1.00 0.00 H new ATOM 0 HG3 PRO A 700 -1.728 -9.758 -33.188 1.00 0.00 H new ATOM 0 HD2 PRO A 700 -3.143 -11.574 -34.523 1.00 0.00 H new ATOM 0 HD3 PRO A 700 -1.742 -12.116 -33.619 1.00 0.00 H new ATOM 817 N PHE A 701 -5.058 -11.291 -29.353 1.00 0.00 N ATOM 818 CA PHE A 701 -6.332 -11.001 -28.676 1.00 0.00 C ATOM 819 C PHE A 701 -6.082 -10.258 -27.350 1.00 0.00 C ATOM 820 O PHE A 701 -5.223 -10.652 -26.548 1.00 0.00 O ATOM 821 CB PHE A 701 -7.134 -12.313 -28.462 1.00 0.00 C ATOM 822 CG PHE A 701 -6.314 -13.532 -28.024 1.00 0.00 C ATOM 823 CD1 PHE A 701 -6.075 -13.804 -26.681 1.00 0.00 C ATOM 824 CD2 PHE A 701 -5.793 -14.411 -28.976 1.00 0.00 C ATOM 825 CE1 PHE A 701 -5.336 -14.915 -26.307 1.00 0.00 C ATOM 826 CE2 PHE A 701 -5.057 -15.514 -28.599 1.00 0.00 C ATOM 827 CZ PHE A 701 -4.830 -15.767 -27.266 1.00 0.00 C ATOM 0 H PHE A 701 -4.286 -11.463 -28.709 1.00 0.00 H new ATOM 0 HA PHE A 701 -6.931 -10.345 -29.307 1.00 0.00 H new ATOM 0 HB2 PHE A 701 -7.904 -12.128 -27.713 1.00 0.00 H new ATOM 0 HB3 PHE A 701 -7.647 -12.559 -29.392 1.00 0.00 H new ATOM 0 HD1 PHE A 701 -6.469 -13.143 -25.923 1.00 0.00 H new ATOM 0 HD2 PHE A 701 -5.970 -14.224 -30.025 1.00 0.00 H new ATOM 0 HE1 PHE A 701 -5.156 -15.114 -25.261 1.00 0.00 H new ATOM 0 HE2 PHE A 701 -4.659 -16.180 -29.350 1.00 0.00 H new ATOM 0 HZ PHE A 701 -4.256 -16.633 -26.971 1.00 0.00 H new ATOM 837 N TYR A 702 -6.844 -9.159 -27.134 1.00 0.00 N ATOM 838 CA TYR A 702 -6.646 -8.229 -26.002 1.00 0.00 C ATOM 839 C TYR A 702 -7.999 -7.742 -25.449 1.00 0.00 C ATOM 840 O TYR A 702 -9.009 -7.807 -26.138 1.00 0.00 O ATOM 841 CB TYR A 702 -5.795 -7.002 -26.442 1.00 0.00 C ATOM 842 CG TYR A 702 -4.432 -7.358 -27.057 1.00 0.00 C ATOM 843 CD1 TYR A 702 -3.403 -7.874 -26.271 1.00 0.00 C ATOM 844 CD2 TYR A 702 -4.190 -7.206 -28.428 1.00 0.00 C ATOM 845 CE1 TYR A 702 -2.183 -8.214 -26.825 1.00 0.00 C ATOM 846 CE2 TYR A 702 -2.970 -7.546 -28.979 1.00 0.00 C ATOM 847 CZ TYR A 702 -1.972 -8.049 -28.174 1.00 0.00 C ATOM 848 OH TYR A 702 -0.753 -8.378 -28.720 1.00 0.00 O ATOM 0 H TYR A 702 -7.617 -8.894 -27.745 1.00 0.00 H new ATOM 0 HA TYR A 702 -6.116 -8.770 -25.218 1.00 0.00 H new ATOM 0 HB2 TYR A 702 -6.366 -6.421 -27.167 1.00 0.00 H new ATOM 0 HB3 TYR A 702 -5.632 -6.360 -25.576 1.00 0.00 H new ATOM 0 HD1 TYR A 702 -3.562 -8.010 -25.211 1.00 0.00 H new ATOM 0 HD2 TYR A 702 -4.970 -6.816 -29.065 1.00 0.00 H new ATOM 0 HE1 TYR A 702 -1.396 -8.609 -26.199 1.00 0.00 H new ATOM 0 HE2 TYR A 702 -2.799 -7.418 -30.038 1.00 0.00 H new ATOM 0 HH TYR A 702 -0.769 -8.203 -29.684 1.00 0.00 H new ATOM 858 N CYS A 703 -7.987 -7.259 -24.193 1.00 0.00 N ATOM 859 CA CYS A 703 -9.152 -6.584 -23.556 1.00 0.00 C ATOM 860 C CYS A 703 -9.221 -5.102 -24.042 1.00 0.00 C ATOM 861 O CYS A 703 -8.168 -4.546 -24.404 1.00 0.00 O ATOM 862 CB CYS A 703 -9.039 -6.687 -22.010 1.00 0.00 C ATOM 863 SG CYS A 703 -7.841 -5.559 -21.241 1.00 0.00 S ATOM 0 H CYS A 703 -7.172 -7.322 -23.583 1.00 0.00 H new ATOM 0 HA CYS A 703 -10.080 -7.076 -23.849 1.00 0.00 H new ATOM 0 HB2 CYS A 703 -10.021 -6.497 -21.577 1.00 0.00 H new ATOM 0 HB3 CYS A 703 -8.768 -7.710 -21.750 1.00 0.00 H new ATOM 868 N PRO A 704 -10.439 -4.429 -24.034 1.00 0.00 N ATOM 869 CA PRO A 704 -10.698 -3.172 -24.801 1.00 0.00 C ATOM 870 C PRO A 704 -9.764 -1.994 -24.463 1.00 0.00 C ATOM 871 O PRO A 704 -9.391 -1.232 -25.357 1.00 0.00 O ATOM 872 CB PRO A 704 -12.177 -2.823 -24.461 1.00 0.00 C ATOM 873 CG PRO A 704 -12.770 -4.114 -24.007 1.00 0.00 C ATOM 874 CD PRO A 704 -11.658 -4.813 -23.265 1.00 0.00 C ATOM 0 HA PRO A 704 -10.508 -3.337 -25.862 1.00 0.00 H new ATOM 0 HB2 PRO A 704 -12.237 -2.063 -23.682 1.00 0.00 H new ATOM 0 HB3 PRO A 704 -12.702 -2.429 -25.331 1.00 0.00 H new ATOM 0 HG2 PRO A 704 -13.632 -3.947 -23.361 1.00 0.00 H new ATOM 0 HG3 PRO A 704 -13.116 -4.709 -24.852 1.00 0.00 H new ATOM 0 HD2 PRO A 704 -11.599 -4.485 -22.227 1.00 0.00 H new ATOM 0 HD3 PRO A 704 -11.801 -5.893 -23.251 1.00 0.00 H new ATOM 882 N HIS A 705 -9.375 -1.854 -23.175 1.00 0.00 N ATOM 883 CA HIS A 705 -8.487 -0.745 -22.749 1.00 0.00 C ATOM 884 C HIS A 705 -7.103 -0.879 -23.412 1.00 0.00 C ATOM 885 O HIS A 705 -6.564 0.107 -23.903 1.00 0.00 O ATOM 886 CB HIS A 705 -8.345 -0.648 -21.207 1.00 0.00 C ATOM 887 CG HIS A 705 -7.487 0.520 -20.763 1.00 0.00 C ATOM 888 ND1 HIS A 705 -6.156 0.393 -20.425 1.00 0.00 N ATOM 889 CD2 HIS A 705 -7.771 1.844 -20.647 1.00 0.00 C ATOM 890 CE1 HIS A 705 -5.661 1.581 -20.125 1.00 0.00 C ATOM 891 NE2 HIS A 705 -6.615 2.481 -20.253 1.00 0.00 N ATOM 0 H HIS A 705 -9.656 -2.483 -22.423 1.00 0.00 H new ATOM 0 HA HIS A 705 -8.956 0.181 -23.080 1.00 0.00 H new ATOM 0 HB2 HIS A 705 -9.335 -0.554 -20.762 1.00 0.00 H new ATOM 0 HB3 HIS A 705 -7.912 -1.574 -20.829 1.00 0.00 H new ATOM 0 HD2 HIS A 705 -8.727 2.311 -20.830 1.00 0.00 H new ATOM 0 HE1 HIS A 705 -4.643 1.781 -19.825 1.00 0.00 H new ATOM 0 HE2 HIS A 705 -6.514 3.482 -20.088 1.00 0.00 H new ATOM 900 N CYS A 706 -6.557 -2.111 -23.441 1.00 0.00 N ATOM 901 CA CYS A 706 -5.270 -2.402 -24.123 1.00 0.00 C ATOM 902 C CYS A 706 -5.342 -2.072 -25.623 1.00 0.00 C ATOM 903 O CYS A 706 -4.360 -1.596 -26.194 1.00 0.00 O ATOM 904 CB CYS A 706 -4.851 -3.873 -23.935 1.00 0.00 C ATOM 905 SG CYS A 706 -4.403 -4.313 -22.233 1.00 0.00 S ATOM 0 H CYS A 706 -6.985 -2.925 -23.000 1.00 0.00 H new ATOM 0 HA CYS A 706 -4.517 -1.764 -23.660 1.00 0.00 H new ATOM 0 HB2 CYS A 706 -5.669 -4.516 -24.260 1.00 0.00 H new ATOM 0 HB3 CYS A 706 -4.003 -4.083 -24.587 1.00 0.00 H new ATOM 910 N LEU A 707 -6.517 -2.306 -26.239 1.00 0.00 N ATOM 911 CA LEU A 707 -6.747 -2.007 -27.667 1.00 0.00 C ATOM 912 C LEU A 707 -6.596 -0.485 -27.893 1.00 0.00 C ATOM 913 O LEU A 707 -5.809 -0.053 -28.732 1.00 0.00 O ATOM 914 CB LEU A 707 -8.153 -2.560 -28.093 1.00 0.00 C ATOM 915 CG LEU A 707 -8.501 -2.663 -29.625 1.00 0.00 C ATOM 916 CD1 LEU A 707 -8.824 -1.305 -30.275 1.00 0.00 C ATOM 917 CD2 LEU A 707 -7.393 -3.408 -30.405 1.00 0.00 C ATOM 0 H LEU A 707 -7.328 -2.704 -25.766 1.00 0.00 H new ATOM 0 HA LEU A 707 -6.009 -2.501 -28.298 1.00 0.00 H new ATOM 0 HB2 LEU A 707 -8.258 -3.556 -27.664 1.00 0.00 H new ATOM 0 HB3 LEU A 707 -8.910 -1.930 -27.625 1.00 0.00 H new ATOM 0 HG LEU A 707 -9.418 -3.250 -29.684 1.00 0.00 H new ATOM 0 HD11 LEU A 707 -9.054 -1.452 -31.330 1.00 0.00 H new ATOM 0 HD12 LEU A 707 -9.683 -0.858 -29.775 1.00 0.00 H new ATOM 0 HD13 LEU A 707 -7.964 -0.642 -30.180 1.00 0.00 H new ATOM 0 HD21 LEU A 707 -7.664 -3.462 -31.459 1.00 0.00 H new ATOM 0 HD22 LEU A 707 -6.450 -2.871 -30.300 1.00 0.00 H new ATOM 0 HD23 LEU A 707 -7.283 -4.417 -30.007 1.00 0.00 H new ATOM 929 N VAL A 708 -7.294 0.303 -27.058 1.00 0.00 N ATOM 930 CA VAL A 708 -7.319 1.785 -27.143 1.00 0.00 C ATOM 931 C VAL A 708 -6.046 2.417 -26.489 1.00 0.00 C ATOM 932 O VAL A 708 -5.835 3.631 -26.555 1.00 0.00 O ATOM 933 CB VAL A 708 -8.655 2.336 -26.480 1.00 0.00 C ATOM 934 CG1 VAL A 708 -8.845 3.864 -26.689 1.00 0.00 C ATOM 935 CG2 VAL A 708 -9.897 1.567 -27.008 1.00 0.00 C ATOM 0 H VAL A 708 -7.863 -0.067 -26.297 1.00 0.00 H new ATOM 0 HA VAL A 708 -7.308 2.077 -28.193 1.00 0.00 H new ATOM 0 HB VAL A 708 -8.557 2.166 -25.408 1.00 0.00 H new ATOM 0 HG11 VAL A 708 -9.773 4.183 -26.215 1.00 0.00 H new ATOM 0 HG12 VAL A 708 -8.007 4.399 -26.243 1.00 0.00 H new ATOM 0 HG13 VAL A 708 -8.888 4.083 -27.756 1.00 0.00 H new ATOM 0 HG21 VAL A 708 -10.797 1.964 -26.539 1.00 0.00 H new ATOM 0 HG22 VAL A 708 -9.968 1.688 -28.089 1.00 0.00 H new ATOM 0 HG23 VAL A 708 -9.799 0.508 -26.768 1.00 0.00 H new ATOM 945 N ALA A 709 -5.194 1.584 -25.854 1.00 0.00 N ATOM 946 CA ALA A 709 -3.932 2.042 -25.211 1.00 0.00 C ATOM 947 C ALA A 709 -2.714 1.836 -26.134 1.00 0.00 C ATOM 948 O ALA A 709 -1.725 2.573 -26.030 1.00 0.00 O ATOM 949 CB ALA A 709 -3.713 1.325 -23.868 1.00 0.00 C ATOM 0 H ALA A 709 -5.355 0.580 -25.770 1.00 0.00 H new ATOM 0 HA ALA A 709 -4.032 3.111 -25.026 1.00 0.00 H new ATOM 0 HB1 ALA A 709 -2.785 1.675 -23.416 1.00 0.00 H new ATOM 0 HB2 ALA A 709 -4.547 1.541 -23.200 1.00 0.00 H new ATOM 0 HB3 ALA A 709 -3.652 0.250 -24.035 1.00 0.00 H new ATOM 955 N MET A 710 -2.784 0.819 -27.024 1.00 0.00 N ATOM 956 CA MET A 710 -1.729 0.551 -28.039 1.00 0.00 C ATOM 957 C MET A 710 -1.804 1.578 -29.192 1.00 0.00 C ATOM 958 O MET A 710 -0.862 1.719 -29.977 1.00 0.00 O ATOM 959 CB MET A 710 -1.850 -0.898 -28.605 1.00 0.00 C ATOM 960 CG MET A 710 -1.534 -2.014 -27.595 1.00 0.00 C ATOM 961 SD MET A 710 -1.766 -3.681 -28.272 1.00 0.00 S ATOM 962 CE MET A 710 -3.499 -3.660 -28.731 1.00 0.00 C ATOM 0 H MET A 710 -3.565 0.164 -27.062 1.00 0.00 H new ATOM 0 HA MET A 710 -0.762 0.649 -27.545 1.00 0.00 H new ATOM 0 HB2 MET A 710 -2.863 -1.043 -28.980 1.00 0.00 H new ATOM 0 HB3 MET A 710 -1.178 -0.997 -29.457 1.00 0.00 H new ATOM 0 HG2 MET A 710 -0.503 -1.907 -27.256 1.00 0.00 H new ATOM 0 HG3 MET A 710 -2.171 -1.893 -26.719 1.00 0.00 H new ATOM 0 HE1 MET A 710 -3.756 -4.597 -29.225 1.00 0.00 H new ATOM 0 HE2 MET A 710 -4.111 -3.541 -27.837 1.00 0.00 H new ATOM 0 HE3 MET A 710 -3.685 -2.829 -29.411 1.00 0.00 H new ATOM 972 N GLU A 711 -2.944 2.275 -29.280 1.00 0.00 N ATOM 973 CA GLU A 711 -3.206 3.330 -30.271 1.00 0.00 C ATOM 974 C GLU A 711 -3.602 4.633 -29.533 1.00 0.00 C ATOM 975 O GLU A 711 -3.922 4.585 -28.336 1.00 0.00 O ATOM 976 CB GLU A 711 -4.338 2.854 -31.221 1.00 0.00 C ATOM 977 CG GLU A 711 -5.691 2.587 -30.521 1.00 0.00 C ATOM 978 CD GLU A 711 -6.750 1.959 -31.444 1.00 0.00 C ATOM 979 OE1 GLU A 711 -6.538 0.810 -31.911 1.00 0.00 O ATOM 980 OE2 GLU A 711 -7.796 2.594 -31.708 1.00 0.00 O ATOM 0 H GLU A 711 -3.730 2.118 -28.649 1.00 0.00 H new ATOM 0 HA GLU A 711 -2.315 3.532 -30.866 1.00 0.00 H new ATOM 0 HB2 GLU A 711 -4.486 3.607 -31.995 1.00 0.00 H new ATOM 0 HB3 GLU A 711 -4.016 1.941 -31.721 1.00 0.00 H new ATOM 0 HG2 GLU A 711 -5.526 1.927 -29.670 1.00 0.00 H new ATOM 0 HG3 GLU A 711 -6.077 3.526 -30.125 1.00 0.00 H new ATOM 987 N PRO A 712 -3.556 5.828 -30.204 1.00 0.00 N ATOM 988 CA PRO A 712 -4.097 7.076 -29.617 1.00 0.00 C ATOM 989 C PRO A 712 -5.636 7.152 -29.746 1.00 0.00 C ATOM 990 O PRO A 712 -6.249 6.409 -30.527 1.00 0.00 O ATOM 991 CB PRO A 712 -3.404 8.171 -30.453 1.00 0.00 C ATOM 992 CG PRO A 712 -3.237 7.548 -31.805 1.00 0.00 C ATOM 993 CD PRO A 712 -2.942 6.081 -31.543 1.00 0.00 C ATOM 0 HA PRO A 712 -3.908 7.163 -28.547 1.00 0.00 H new ATOM 0 HB2 PRO A 712 -4.009 9.077 -30.503 1.00 0.00 H new ATOM 0 HB3 PRO A 712 -2.443 8.453 -30.023 1.00 0.00 H new ATOM 0 HG2 PRO A 712 -4.139 7.666 -32.405 1.00 0.00 H new ATOM 0 HG3 PRO A 712 -2.423 8.019 -32.356 1.00 0.00 H new ATOM 0 HD2 PRO A 712 -3.378 5.442 -32.311 1.00 0.00 H new ATOM 0 HD3 PRO A 712 -1.870 5.884 -31.535 1.00 0.00 H new ATOM 1001 N VAL A 713 -6.249 8.049 -28.961 1.00 0.00 N ATOM 1002 CA VAL A 713 -7.691 8.345 -29.054 1.00 0.00 C ATOM 1003 C VAL A 713 -7.992 9.235 -30.281 1.00 0.00 C ATOM 1004 O VAL A 713 -7.080 9.855 -30.854 1.00 0.00 O ATOM 1005 CB VAL A 713 -8.226 9.019 -27.732 1.00 0.00 C ATOM 1006 CG1 VAL A 713 -8.093 8.055 -26.524 1.00 0.00 C ATOM 1007 CG2 VAL A 713 -7.507 10.367 -27.453 1.00 0.00 C ATOM 0 H VAL A 713 -5.764 8.590 -28.245 1.00 0.00 H new ATOM 0 HA VAL A 713 -8.215 7.398 -29.181 1.00 0.00 H new ATOM 0 HB VAL A 713 -9.285 9.235 -27.875 1.00 0.00 H new ATOM 0 HG11 VAL A 713 -8.469 8.544 -25.625 1.00 0.00 H new ATOM 0 HG12 VAL A 713 -8.672 7.151 -26.714 1.00 0.00 H new ATOM 0 HG13 VAL A 713 -7.045 7.792 -26.382 1.00 0.00 H new ATOM 0 HG21 VAL A 713 -7.899 10.805 -26.535 1.00 0.00 H new ATOM 0 HG22 VAL A 713 -6.437 10.193 -27.344 1.00 0.00 H new ATOM 0 HG23 VAL A 713 -7.680 11.051 -28.284 1.00 0.00 H new ATOM 1017 N SER A 714 -9.275 9.283 -30.676 1.00 0.00 N ATOM 1018 CA SER A 714 -9.722 10.047 -31.852 1.00 0.00 C ATOM 1019 C SER A 714 -9.848 11.550 -31.502 1.00 0.00 C ATOM 1020 O SER A 714 -10.924 12.033 -31.128 1.00 0.00 O ATOM 1021 CB SER A 714 -11.052 9.462 -32.378 1.00 0.00 C ATOM 1022 OG SER A 714 -10.913 8.087 -32.706 1.00 0.00 O ATOM 0 H SER A 714 -10.028 8.795 -30.191 1.00 0.00 H new ATOM 0 HA SER A 714 -8.981 9.962 -32.647 1.00 0.00 H new ATOM 0 HB2 SER A 714 -11.829 9.582 -31.623 1.00 0.00 H new ATOM 0 HB3 SER A 714 -11.374 10.018 -33.258 1.00 0.00 H new ATOM 0 HG SER A 714 -11.769 7.741 -33.035 1.00 0.00 H new ATOM 1028 N THR A 715 -8.701 12.251 -31.568 1.00 0.00 N ATOM 1029 CA THR A 715 -8.596 13.690 -31.281 1.00 0.00 C ATOM 1030 C THR A 715 -9.171 14.514 -32.454 1.00 0.00 C ATOM 1031 O THR A 715 -8.842 14.256 -33.624 1.00 0.00 O ATOM 1032 CB THR A 715 -7.098 14.079 -31.013 1.00 0.00 C ATOM 1033 OG1 THR A 715 -6.586 13.286 -29.922 1.00 0.00 O ATOM 1034 CG2 THR A 715 -6.917 15.575 -30.682 1.00 0.00 C ATOM 0 H THR A 715 -7.810 11.826 -31.826 1.00 0.00 H new ATOM 0 HA THR A 715 -9.178 13.915 -30.387 1.00 0.00 H new ATOM 0 HB THR A 715 -6.545 13.881 -31.931 1.00 0.00 H new ATOM 0 HG1 THR A 715 -5.651 13.526 -29.754 1.00 0.00 H new ATOM 0 HG21 THR A 715 -5.862 15.784 -30.507 1.00 0.00 H new ATOM 0 HG22 THR A 715 -7.272 16.178 -31.518 1.00 0.00 H new ATOM 0 HG23 THR A 715 -7.489 15.822 -29.788 1.00 0.00 H new ATOM 1042 N ARG A 716 -10.038 15.489 -32.122 1.00 0.00 N ATOM 1043 CA ARG A 716 -10.701 16.354 -33.111 1.00 0.00 C ATOM 1044 C ARG A 716 -9.719 17.434 -33.630 1.00 0.00 C ATOM 1045 O ARG A 716 -9.462 18.422 -32.904 1.00 0.00 O ATOM 1046 CB ARG A 716 -11.980 16.991 -32.503 1.00 0.00 C ATOM 1047 CG ARG A 716 -13.068 15.966 -32.114 1.00 0.00 C ATOM 1048 CD ARG A 716 -13.562 15.124 -33.311 1.00 0.00 C ATOM 1049 NE ARG A 716 -14.062 15.947 -34.432 1.00 0.00 N ATOM 1050 CZ ARG A 716 -14.470 15.472 -35.619 1.00 0.00 C ATOM 1051 NH1 ARG A 716 -14.511 14.166 -35.863 1.00 0.00 N ATOM 1052 NH2 ARG A 716 -14.850 16.323 -36.556 1.00 0.00 N ATOM 1053 OXT ARG A 716 -9.199 17.291 -34.760 1.00 0.00 O ATOM 0 H ARG A 716 -10.298 15.698 -31.158 1.00 0.00 H new ATOM 0 HA ARG A 716 -11.006 15.746 -33.963 1.00 0.00 H new ATOM 0 HB2 ARG A 716 -11.703 17.564 -31.618 1.00 0.00 H new ATOM 0 HB3 ARG A 716 -12.399 17.696 -33.221 1.00 0.00 H new ATOM 0 HG2 ARG A 716 -12.674 15.300 -31.347 1.00 0.00 H new ATOM 0 HG3 ARG A 716 -13.915 16.493 -31.674 1.00 0.00 H new ATOM 0 HD2 ARG A 716 -12.746 14.495 -33.666 1.00 0.00 H new ATOM 0 HD3 ARG A 716 -14.356 14.457 -32.975 1.00 0.00 H new ATOM 0 HE ARG A 716 -14.100 16.957 -34.292 1.00 0.00 H new ATOM 0 HH11 ARG A 716 -14.229 13.503 -35.141 1.00 0.00 H new ATOM 0 HH12 ARG A 716 -14.824 13.827 -36.772 1.00 0.00 H new ATOM 0 HH21 ARG A 716 -14.831 17.326 -36.372 1.00 0.00 H new ATOM 0 HH22 ARG A 716 -15.163 15.977 -37.463 1.00 0.00 H new TER 1067 ARG A 716 HETATM 1068 ZN ZN A 801 -17.821 -10.601 -21.369 1.00 0.00 ZN HETATM 1069 ZN ZN A 802 -5.564 -6.108 -21.325 1.00 0.00 ZN