USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=11 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 654 THR OG1 : rot 180:sc= 0.00209 USER MOD Set 1.2: A 655 SER OG : rot 180:sc= 0 USER MOD Single : A 653 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 657 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.4!) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 GLN : amide:sc= -1.89 K(o=-1.9,f=-6.2!) USER MOD Single : A 679 LYS NZ :NH3+ -168:sc=-0.00822 (180deg=-0.162) USER MOD Single : A 681 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 684 GLN : amide:sc= -3.39! C(o=-3.4!,f=-3.8!) USER MOD Single : A 687 LYS NZ :NH3+ -172:sc= 0.628 (180deg=0.405) USER MOD Single : A 690 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 691 TYR OH : rot 68:sc= 0.415 USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 695 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.6!) USER MOD Single : A 697 LYS NZ :NH3+ 147:sc= 0.289 (180deg=0.0125) USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 TYR OH : rot 180:sc= 0 USER MOD Single : A 705 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 710 MET CE :methyl 174:sc= 0 (180deg=-0.0619) USER MOD Single : A 714 SER OG : rot 1:sc= 0.58 USER MOD Single : A 715 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 652 4.642 -5.610 0.875 1.00 0.00 N ATOM 2 CA PHE A 652 4.477 -6.778 -0.019 1.00 0.00 C ATOM 3 C PHE A 652 3.216 -6.612 -0.891 1.00 0.00 C ATOM 4 O PHE A 652 3.289 -6.693 -2.119 1.00 0.00 O ATOM 5 CB PHE A 652 4.414 -8.091 0.809 1.00 0.00 C ATOM 6 CG PHE A 652 5.640 -8.329 1.695 1.00 0.00 C ATOM 7 CD1 PHE A 652 6.824 -8.831 1.157 1.00 0.00 C ATOM 8 CD2 PHE A 652 5.611 -8.036 3.059 1.00 0.00 C ATOM 9 CE1 PHE A 652 7.936 -9.035 1.953 1.00 0.00 C ATOM 10 CE2 PHE A 652 6.724 -8.242 3.856 1.00 0.00 C ATOM 11 CZ PHE A 652 7.887 -8.738 3.302 1.00 0.00 C ATOM 0 HA PHE A 652 5.341 -6.838 -0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 652 3.523 -8.070 1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 652 4.303 -8.934 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 652 6.873 -9.064 0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 652 4.707 -7.643 3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 652 8.844 -9.427 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 652 6.682 -8.015 4.911 1.00 0.00 H new ATOM 0 HZ PHE A 652 8.758 -8.894 3.922 1.00 0.00 H new ATOM 21 N ASN A 653 2.058 -6.376 -0.244 1.00 0.00 N ATOM 22 CA ASN A 653 0.751 -6.251 -0.933 1.00 0.00 C ATOM 23 C ASN A 653 0.468 -4.778 -1.293 1.00 0.00 C ATOM 24 O ASN A 653 -0.202 -4.050 -0.547 1.00 0.00 O ATOM 25 CB ASN A 653 -0.375 -6.859 -0.054 1.00 0.00 C ATOM 26 CG ASN A 653 -0.258 -8.378 0.073 1.00 0.00 C ATOM 27 OD1 ASN A 653 0.397 -8.898 0.973 1.00 0.00 O ATOM 28 ND2 ASN A 653 -0.862 -9.100 -0.860 1.00 0.00 N ATOM 0 H ASN A 653 1.998 -6.266 0.768 1.00 0.00 H new ATOM 0 HA ASN A 653 0.783 -6.812 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 653 -0.340 -6.410 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 653 -1.344 -6.606 -0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 653 -0.790 -10.117 -0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 653 -1.399 -8.638 -1.594 1.00 0.00 H new ATOM 35 N THR A 654 1.031 -4.343 -2.436 1.00 0.00 N ATOM 36 CA THR A 654 0.886 -2.971 -2.956 1.00 0.00 C ATOM 37 C THR A 654 -0.444 -2.793 -3.714 1.00 0.00 C ATOM 38 O THR A 654 -1.101 -1.745 -3.600 1.00 0.00 O ATOM 39 CB THR A 654 2.083 -2.614 -3.903 1.00 0.00 C ATOM 40 OG1 THR A 654 2.230 -3.633 -4.912 1.00 0.00 O ATOM 41 CG2 THR A 654 3.409 -2.468 -3.136 1.00 0.00 C ATOM 0 H THR A 654 1.605 -4.941 -3.030 1.00 0.00 H new ATOM 0 HA THR A 654 0.887 -2.295 -2.101 1.00 0.00 H new ATOM 0 HB THR A 654 1.854 -1.653 -4.364 1.00 0.00 H new ATOM 0 HG1 THR A 654 2.978 -3.404 -5.502 1.00 0.00 H new ATOM 0 HG21 THR A 654 4.208 -2.221 -3.835 1.00 0.00 H new ATOM 0 HG22 THR A 654 3.315 -1.674 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 654 3.644 -3.406 -2.634 1.00 0.00 H new ATOM 49 N SER A 655 -0.832 -3.826 -4.491 1.00 0.00 N ATOM 50 CA SER A 655 -2.054 -3.797 -5.322 1.00 0.00 C ATOM 51 C SER A 655 -2.582 -5.219 -5.579 1.00 0.00 C ATOM 52 O SER A 655 -1.819 -6.195 -5.547 1.00 0.00 O ATOM 53 CB SER A 655 -1.769 -3.074 -6.664 1.00 0.00 C ATOM 54 OG SER A 655 -0.694 -3.675 -7.369 1.00 0.00 O ATOM 0 H SER A 655 -0.310 -4.700 -4.560 1.00 0.00 H new ATOM 0 HA SER A 655 -2.823 -3.247 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 655 -2.665 -3.092 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 655 -1.536 -2.027 -6.470 1.00 0.00 H new ATOM 0 HG SER A 655 -0.545 -3.194 -8.210 1.00 0.00 H new ATOM 60 N ASP A 656 -3.903 -5.326 -5.811 1.00 0.00 N ATOM 61 CA ASP A 656 -4.576 -6.590 -6.200 1.00 0.00 C ATOM 62 C ASP A 656 -5.038 -6.499 -7.669 1.00 0.00 C ATOM 63 O ASP A 656 -5.125 -5.405 -8.240 1.00 0.00 O ATOM 64 CB ASP A 656 -5.772 -6.892 -5.252 1.00 0.00 C ATOM 65 CG ASP A 656 -6.941 -5.899 -5.393 1.00 0.00 C ATOM 66 OD1 ASP A 656 -6.797 -4.727 -4.966 1.00 0.00 O ATOM 67 OD2 ASP A 656 -8.008 -6.278 -5.923 1.00 0.00 O ATOM 0 H ASP A 656 -4.543 -4.535 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 656 -3.869 -7.414 -6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 656 -6.137 -7.900 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 656 -5.419 -6.879 -4.221 1.00 0.00 H new ATOM 72 N TYR A 657 -5.340 -7.660 -8.270 1.00 0.00 N ATOM 73 CA TYR A 657 -5.581 -7.778 -9.724 1.00 0.00 C ATOM 74 C TYR A 657 -7.021 -8.248 -9.998 1.00 0.00 C ATOM 75 O TYR A 657 -7.470 -9.264 -9.460 1.00 0.00 O ATOM 76 CB TYR A 657 -4.560 -8.761 -10.351 1.00 0.00 C ATOM 77 CG TYR A 657 -3.086 -8.407 -10.071 1.00 0.00 C ATOM 78 CD1 TYR A 657 -2.448 -8.854 -8.908 1.00 0.00 C ATOM 79 CD2 TYR A 657 -2.341 -7.620 -10.954 1.00 0.00 C ATOM 80 CE1 TYR A 657 -1.132 -8.535 -8.645 1.00 0.00 C ATOM 81 CE2 TYR A 657 -1.023 -7.302 -10.692 1.00 0.00 C ATOM 82 CZ TYR A 657 -0.426 -7.759 -9.537 1.00 0.00 C ATOM 83 OH TYR A 657 0.888 -7.452 -9.284 1.00 0.00 O ATOM 0 H TYR A 657 -5.425 -8.543 -7.767 1.00 0.00 H new ATOM 0 HA TYR A 657 -5.451 -6.797 -10.181 1.00 0.00 H new ATOM 0 HB2 TYR A 657 -4.759 -9.764 -9.973 1.00 0.00 H new ATOM 0 HB3 TYR A 657 -4.716 -8.790 -11.429 1.00 0.00 H new ATOM 0 HD1 TYR A 657 -2.997 -9.461 -8.203 1.00 0.00 H new ATOM 0 HD2 TYR A 657 -2.805 -7.254 -11.858 1.00 0.00 H new ATOM 0 HE1 TYR A 657 -0.657 -8.892 -7.743 1.00 0.00 H new ATOM 0 HE2 TYR A 657 -0.462 -6.698 -11.390 1.00 0.00 H new ATOM 0 HH TYR A 657 1.241 -6.898 -10.012 1.00 0.00 H new ATOM 93 N ARG A 658 -7.727 -7.484 -10.844 1.00 0.00 N ATOM 94 CA ARG A 658 -9.127 -7.730 -11.210 1.00 0.00 C ATOM 95 C ARG A 658 -9.147 -8.104 -12.704 1.00 0.00 C ATOM 96 O ARG A 658 -9.287 -7.241 -13.576 1.00 0.00 O ATOM 97 CB ARG A 658 -10.027 -6.472 -10.919 1.00 0.00 C ATOM 98 CG ARG A 658 -9.810 -5.778 -9.540 1.00 0.00 C ATOM 99 CD ARG A 658 -8.575 -4.850 -9.514 1.00 0.00 C ATOM 100 NE ARG A 658 -8.322 -4.254 -8.187 1.00 0.00 N ATOM 101 CZ ARG A 658 -8.098 -2.950 -7.932 1.00 0.00 C ATOM 102 NH1 ARG A 658 -8.239 -2.038 -8.882 1.00 0.00 N ATOM 103 NH2 ARG A 658 -7.765 -2.572 -6.709 1.00 0.00 N ATOM 0 H ARG A 658 -7.332 -6.662 -11.301 1.00 0.00 H new ATOM 0 HA ARG A 658 -9.540 -8.541 -10.610 1.00 0.00 H new ATOM 0 HB2 ARG A 658 -9.853 -5.737 -11.704 1.00 0.00 H new ATOM 0 HB3 ARG A 658 -11.072 -6.774 -10.991 1.00 0.00 H new ATOM 0 HG2 ARG A 658 -10.698 -5.198 -9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 658 -9.699 -6.541 -8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 658 -7.697 -5.416 -9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 658 -8.713 -4.052 -10.243 1.00 0.00 H new ATOM 0 HE ARG A 658 -8.316 -4.889 -7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 658 -8.521 -2.319 -9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 658 -8.066 -1.054 -8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 658 -7.679 -3.266 -5.966 1.00 0.00 H new ATOM 0 HH22 ARG A 658 -7.594 -1.587 -6.509 1.00 0.00 H new ATOM 117 N PHE A 659 -8.948 -9.397 -12.981 1.00 0.00 N ATOM 118 CA PHE A 659 -8.725 -9.922 -14.349 1.00 0.00 C ATOM 119 C PHE A 659 -9.970 -10.632 -14.911 1.00 0.00 C ATOM 120 O PHE A 659 -9.861 -11.522 -15.749 1.00 0.00 O ATOM 121 CB PHE A 659 -7.455 -10.837 -14.378 1.00 0.00 C ATOM 122 CG PHE A 659 -7.197 -11.674 -13.125 1.00 0.00 C ATOM 123 CD1 PHE A 659 -8.000 -12.759 -12.798 1.00 0.00 C ATOM 124 CD2 PHE A 659 -6.148 -11.355 -12.265 1.00 0.00 C ATOM 125 CE1 PHE A 659 -7.754 -13.501 -11.662 1.00 0.00 C ATOM 126 CE2 PHE A 659 -5.903 -12.099 -11.130 1.00 0.00 C ATOM 127 CZ PHE A 659 -6.712 -13.168 -10.823 1.00 0.00 C ATOM 0 H PHE A 659 -8.936 -10.121 -12.263 1.00 0.00 H new ATOM 0 HA PHE A 659 -8.544 -9.075 -15.010 1.00 0.00 H new ATOM 0 HB2 PHE A 659 -7.539 -11.512 -15.230 1.00 0.00 H new ATOM 0 HB3 PHE A 659 -6.583 -10.207 -14.555 1.00 0.00 H new ATOM 0 HD1 PHE A 659 -8.826 -13.025 -13.441 1.00 0.00 H new ATOM 0 HD2 PHE A 659 -5.515 -10.510 -12.491 1.00 0.00 H new ATOM 0 HE1 PHE A 659 -8.382 -14.348 -11.428 1.00 0.00 H new ATOM 0 HE2 PHE A 659 -5.077 -11.843 -10.483 1.00 0.00 H new ATOM 0 HZ PHE A 659 -6.532 -13.745 -9.928 1.00 0.00 H new ATOM 137 N GLU A 660 -11.155 -10.191 -14.474 1.00 0.00 N ATOM 138 CA GLU A 660 -12.445 -10.763 -14.910 1.00 0.00 C ATOM 139 C GLU A 660 -12.991 -9.993 -16.139 1.00 0.00 C ATOM 140 O GLU A 660 -12.619 -8.833 -16.376 1.00 0.00 O ATOM 141 CB GLU A 660 -13.474 -10.736 -13.739 1.00 0.00 C ATOM 142 CG GLU A 660 -13.043 -11.475 -12.441 1.00 0.00 C ATOM 143 CD GLU A 660 -11.983 -10.728 -11.602 1.00 0.00 C ATOM 144 OE1 GLU A 660 -12.326 -9.693 -10.984 1.00 0.00 O ATOM 145 OE2 GLU A 660 -10.809 -11.151 -11.566 1.00 0.00 O ATOM 0 H GLU A 660 -11.252 -9.426 -13.806 1.00 0.00 H new ATOM 0 HA GLU A 660 -12.285 -11.801 -15.202 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -13.684 -9.696 -13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -14.408 -11.174 -14.091 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -13.925 -11.643 -11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -12.651 -12.456 -12.709 1.00 0.00 H new ATOM 152 N CYS A 661 -13.877 -10.657 -16.921 1.00 0.00 N ATOM 153 CA CYS A 661 -14.527 -10.033 -18.096 1.00 0.00 C ATOM 154 C CYS A 661 -15.452 -8.877 -17.675 1.00 0.00 C ATOM 155 O CYS A 661 -16.090 -8.946 -16.625 1.00 0.00 O ATOM 156 CB CYS A 661 -15.327 -11.058 -18.919 1.00 0.00 C ATOM 157 SG CYS A 661 -15.911 -10.386 -20.510 1.00 0.00 S ATOM 0 H CYS A 661 -14.157 -11.624 -16.758 1.00 0.00 H new ATOM 0 HA CYS A 661 -13.726 -9.638 -18.721 1.00 0.00 H new ATOM 0 HB2 CYS A 661 -14.704 -11.933 -19.106 1.00 0.00 H new ATOM 0 HB3 CYS A 661 -16.184 -11.396 -18.336 1.00 0.00 H new ATOM 162 N ILE A 662 -15.544 -7.841 -18.541 1.00 0.00 N ATOM 163 CA ILE A 662 -16.312 -6.599 -18.268 1.00 0.00 C ATOM 164 C ILE A 662 -17.837 -6.836 -18.112 1.00 0.00 C ATOM 165 O ILE A 662 -18.524 -6.003 -17.517 1.00 0.00 O ATOM 166 CB ILE A 662 -16.051 -5.516 -19.385 1.00 0.00 C ATOM 167 CG1 ILE A 662 -16.470 -6.053 -20.798 1.00 0.00 C ATOM 168 CG2 ILE A 662 -14.567 -5.053 -19.366 1.00 0.00 C ATOM 169 CD1 ILE A 662 -16.349 -5.050 -21.935 1.00 0.00 C ATOM 0 H ILE A 662 -15.087 -7.841 -19.453 1.00 0.00 H new ATOM 0 HA ILE A 662 -15.947 -6.232 -17.308 1.00 0.00 H new ATOM 0 HB ILE A 662 -16.672 -4.646 -19.170 1.00 0.00 H new ATOM 0 HG12 ILE A 662 -15.856 -6.922 -21.035 1.00 0.00 H new ATOM 0 HG13 ILE A 662 -17.503 -6.397 -20.747 1.00 0.00 H new ATOM 0 HG21 ILE A 662 -14.409 -4.306 -20.144 1.00 0.00 H new ATOM 0 HG22 ILE A 662 -14.334 -4.619 -18.394 1.00 0.00 H new ATOM 0 HG23 ILE A 662 -13.917 -5.909 -19.547 1.00 0.00 H new ATOM 0 HD11 ILE A 662 -16.662 -5.518 -22.868 1.00 0.00 H new ATOM 0 HD12 ILE A 662 -16.985 -4.189 -21.730 1.00 0.00 H new ATOM 0 HD13 ILE A 662 -15.313 -4.723 -22.023 1.00 0.00 H new ATOM 181 N CYS A 663 -18.365 -7.959 -18.654 1.00 0.00 N ATOM 182 CA CYS A 663 -19.799 -8.333 -18.463 1.00 0.00 C ATOM 183 C CYS A 663 -20.001 -9.080 -17.121 1.00 0.00 C ATOM 184 O CYS A 663 -21.120 -9.166 -16.609 1.00 0.00 O ATOM 185 CB CYS A 663 -20.320 -9.199 -19.635 1.00 0.00 C ATOM 186 SG CYS A 663 -19.608 -10.875 -19.722 1.00 0.00 S ATOM 0 H CYS A 663 -17.833 -8.619 -19.221 1.00 0.00 H new ATOM 0 HA CYS A 663 -20.375 -7.408 -18.441 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -21.404 -9.284 -19.552 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -20.111 -8.682 -20.571 1.00 0.00 H new ATOM 191 N GLY A 664 -18.896 -9.633 -16.580 1.00 0.00 N ATOM 192 CA GLY A 664 -18.901 -10.329 -15.280 1.00 0.00 C ATOM 193 C GLY A 664 -19.619 -11.678 -15.284 1.00 0.00 C ATOM 194 O GLY A 664 -19.938 -12.220 -14.220 1.00 0.00 O ATOM 0 H GLY A 664 -17.981 -9.609 -17.030 1.00 0.00 H new ATOM 0 HA2 GLY A 664 -17.870 -10.482 -14.960 1.00 0.00 H new ATOM 0 HA3 GLY A 664 -19.372 -9.683 -14.539 1.00 0.00 H new ATOM 198 N GLU A 665 -19.872 -12.221 -16.485 1.00 0.00 N ATOM 199 CA GLU A 665 -20.567 -13.506 -16.654 1.00 0.00 C ATOM 200 C GLU A 665 -19.579 -14.674 -16.474 1.00 0.00 C ATOM 201 O GLU A 665 -19.556 -15.330 -15.428 1.00 0.00 O ATOM 202 CB GLU A 665 -21.258 -13.554 -18.047 1.00 0.00 C ATOM 203 CG GLU A 665 -22.456 -12.594 -18.211 1.00 0.00 C ATOM 204 CD GLU A 665 -23.687 -12.996 -17.375 1.00 0.00 C ATOM 205 OE1 GLU A 665 -24.514 -13.798 -17.865 1.00 0.00 O ATOM 206 OE2 GLU A 665 -23.831 -12.533 -16.223 1.00 0.00 O ATOM 0 H GLU A 665 -19.601 -11.782 -17.365 1.00 0.00 H new ATOM 0 HA GLU A 665 -21.338 -13.603 -15.890 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -20.517 -13.322 -18.812 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -21.599 -14.573 -18.232 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -22.147 -11.588 -17.927 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -22.738 -12.555 -19.263 1.00 0.00 H new ATOM 213 N LEU A 666 -18.743 -14.899 -17.501 1.00 0.00 N ATOM 214 CA LEU A 666 -17.756 -16.000 -17.539 1.00 0.00 C ATOM 215 C LEU A 666 -16.431 -15.473 -18.112 1.00 0.00 C ATOM 216 O LEU A 666 -16.315 -14.282 -18.463 1.00 0.00 O ATOM 217 CB LEU A 666 -18.264 -17.176 -18.439 1.00 0.00 C ATOM 218 CG LEU A 666 -19.596 -17.880 -18.023 1.00 0.00 C ATOM 219 CD1 LEU A 666 -20.006 -18.953 -19.058 1.00 0.00 C ATOM 220 CD2 LEU A 666 -19.491 -18.491 -16.605 1.00 0.00 C ATOM 0 H LEU A 666 -18.730 -14.318 -18.339 1.00 0.00 H new ATOM 0 HA LEU A 666 -17.613 -16.370 -16.524 1.00 0.00 H new ATOM 0 HB2 LEU A 666 -18.388 -16.795 -19.453 1.00 0.00 H new ATOM 0 HB3 LEU A 666 -17.481 -17.933 -18.477 1.00 0.00 H new ATOM 0 HG LEU A 666 -20.376 -17.119 -18.000 1.00 0.00 H new ATOM 0 HD11 LEU A 666 -20.936 -19.426 -18.743 1.00 0.00 H new ATOM 0 HD12 LEU A 666 -20.150 -18.484 -20.031 1.00 0.00 H new ATOM 0 HD13 LEU A 666 -19.222 -19.707 -19.131 1.00 0.00 H new ATOM 0 HD21 LEU A 666 -20.434 -18.973 -16.346 1.00 0.00 H new ATOM 0 HD22 LEU A 666 -18.689 -19.229 -16.585 1.00 0.00 H new ATOM 0 HD23 LEU A 666 -19.277 -17.702 -15.884 1.00 0.00 H new ATOM 232 N ASP A 667 -15.442 -16.372 -18.195 1.00 0.00 N ATOM 233 CA ASP A 667 -14.194 -16.171 -18.966 1.00 0.00 C ATOM 234 C ASP A 667 -13.848 -17.488 -19.690 1.00 0.00 C ATOM 235 O ASP A 667 -12.703 -17.711 -20.098 1.00 0.00 O ATOM 236 CB ASP A 667 -13.032 -15.709 -18.039 1.00 0.00 C ATOM 237 CG ASP A 667 -13.257 -14.306 -17.452 1.00 0.00 C ATOM 238 OD1 ASP A 667 -13.129 -13.328 -18.200 1.00 0.00 O ATOM 239 OD2 ASP A 667 -13.625 -14.183 -16.261 1.00 0.00 O ATOM 0 H ASP A 667 -15.481 -17.276 -17.723 1.00 0.00 H new ATOM 0 HA ASP A 667 -14.340 -15.381 -19.703 1.00 0.00 H new ATOM 0 HB2 ASP A 667 -12.918 -16.424 -17.224 1.00 0.00 H new ATOM 0 HB3 ASP A 667 -12.099 -15.716 -18.603 1.00 0.00 H new ATOM 244 N GLN A 668 -14.871 -18.364 -19.843 1.00 0.00 N ATOM 245 CA GLN A 668 -14.768 -19.658 -20.554 1.00 0.00 C ATOM 246 C GLN A 668 -15.439 -19.556 -21.931 1.00 0.00 C ATOM 247 O GLN A 668 -16.233 -18.645 -22.164 1.00 0.00 O ATOM 248 CB GLN A 668 -15.443 -20.814 -19.740 1.00 0.00 C ATOM 249 CG GLN A 668 -14.841 -21.091 -18.343 1.00 0.00 C ATOM 250 CD GLN A 668 -15.184 -20.031 -17.285 1.00 0.00 C ATOM 251 OE1 GLN A 668 -16.259 -19.445 -17.302 1.00 0.00 O ATOM 252 NE2 GLN A 668 -14.261 -19.762 -16.376 1.00 0.00 N ATOM 0 H GLN A 668 -15.804 -18.187 -19.470 1.00 0.00 H new ATOM 0 HA GLN A 668 -13.709 -19.887 -20.670 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -16.501 -20.579 -19.619 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -15.385 -21.730 -20.328 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -15.193 -22.062 -17.995 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -13.757 -21.159 -18.434 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -13.374 -20.266 -16.385 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -14.436 -19.051 -15.666 1.00 0.00 H new ATOM 261 N ILE A 669 -15.111 -20.520 -22.826 1.00 0.00 N ATOM 262 CA ILE A 669 -15.753 -20.670 -24.154 1.00 0.00 C ATOM 263 C ILE A 669 -17.205 -21.196 -23.998 1.00 0.00 C ATOM 264 O ILE A 669 -18.023 -21.031 -24.910 1.00 0.00 O ATOM 265 CB ILE A 669 -14.906 -21.651 -25.078 1.00 0.00 C ATOM 266 CG1 ILE A 669 -13.429 -21.159 -25.190 1.00 0.00 C ATOM 267 CG2 ILE A 669 -15.531 -21.825 -26.488 1.00 0.00 C ATOM 268 CD1 ILE A 669 -12.496 -22.076 -25.967 1.00 0.00 C ATOM 0 H ILE A 669 -14.390 -21.218 -22.645 1.00 0.00 H new ATOM 0 HA ILE A 669 -15.787 -19.690 -24.631 1.00 0.00 H new ATOM 0 HB ILE A 669 -14.920 -22.631 -24.600 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -13.425 -20.178 -25.664 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -13.029 -21.029 -24.184 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -14.915 -22.503 -27.078 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -16.535 -22.238 -26.392 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -15.582 -20.856 -26.985 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -11.495 -21.645 -25.987 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -12.461 -23.053 -25.485 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -12.863 -22.188 -26.987 1.00 0.00 H new ATOM 280 N ASP A 670 -17.480 -21.787 -22.799 1.00 0.00 N ATOM 281 CA ASP A 670 -18.752 -22.456 -22.406 1.00 0.00 C ATOM 282 C ASP A 670 -20.013 -21.912 -23.117 1.00 0.00 C ATOM 283 O ASP A 670 -20.667 -22.639 -23.870 1.00 0.00 O ATOM 284 CB ASP A 670 -18.914 -22.372 -20.863 1.00 0.00 C ATOM 285 CG ASP A 670 -20.261 -22.932 -20.357 1.00 0.00 C ATOM 286 OD1 ASP A 670 -20.485 -24.157 -20.469 1.00 0.00 O ATOM 287 OD2 ASP A 670 -21.108 -22.152 -19.871 1.00 0.00 O ATOM 0 H ASP A 670 -16.789 -21.810 -22.049 1.00 0.00 H new ATOM 0 HA ASP A 670 -18.672 -23.493 -22.733 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -18.100 -22.920 -20.389 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -18.821 -21.332 -20.551 1.00 0.00 H new ATOM 292 N ARG A 671 -20.355 -20.639 -22.864 1.00 0.00 N ATOM 293 CA ARG A 671 -21.450 -19.966 -23.584 1.00 0.00 C ATOM 294 C ARG A 671 -20.876 -19.233 -24.803 1.00 0.00 C ATOM 295 O ARG A 671 -21.126 -19.615 -25.957 1.00 0.00 O ATOM 296 CB ARG A 671 -22.225 -18.985 -22.655 1.00 0.00 C ATOM 297 CG ARG A 671 -22.957 -19.638 -21.457 1.00 0.00 C ATOM 298 CD ARG A 671 -23.867 -20.811 -21.884 1.00 0.00 C ATOM 299 NE ARG A 671 -24.778 -20.447 -22.993 1.00 0.00 N ATOM 300 CZ ARG A 671 -25.164 -21.274 -23.984 1.00 0.00 C ATOM 301 NH1 ARG A 671 -24.789 -22.550 -23.999 1.00 0.00 N ATOM 302 NH2 ARG A 671 -25.934 -20.817 -24.952 1.00 0.00 N ATOM 0 H ARG A 671 -19.891 -20.055 -22.168 1.00 0.00 H new ATOM 0 HA ARG A 671 -22.165 -20.717 -23.919 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -21.523 -18.246 -22.270 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -22.958 -18.446 -23.256 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -22.221 -19.997 -20.738 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -23.557 -18.884 -20.948 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -23.248 -21.655 -22.189 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -24.456 -21.140 -21.028 1.00 0.00 H new ATOM 0 HE ARG A 671 -25.142 -19.494 -23.008 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -24.199 -22.917 -23.252 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -25.091 -23.161 -24.758 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -26.234 -19.842 -24.948 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -26.229 -21.438 -25.705 1.00 0.00 H new ATOM 316 N LYS A 672 -20.080 -18.189 -24.528 1.00 0.00 N ATOM 317 CA LYS A 672 -19.422 -17.372 -25.561 1.00 0.00 C ATOM 318 C LYS A 672 -17.906 -17.618 -25.504 1.00 0.00 C ATOM 319 O LYS A 672 -17.388 -17.819 -24.411 1.00 0.00 O ATOM 320 CB LYS A 672 -19.711 -15.863 -25.330 1.00 0.00 C ATOM 321 CG LYS A 672 -21.210 -15.496 -25.234 1.00 0.00 C ATOM 322 CD LYS A 672 -22.028 -15.875 -26.494 1.00 0.00 C ATOM 323 CE LYS A 672 -21.572 -15.135 -27.762 1.00 0.00 C ATOM 324 NZ LYS A 672 -22.350 -15.547 -28.952 1.00 0.00 N ATOM 0 H LYS A 672 -19.873 -17.885 -23.577 1.00 0.00 H new ATOM 0 HA LYS A 672 -19.812 -17.654 -26.539 1.00 0.00 H new ATOM 0 HB2 LYS A 672 -19.215 -15.549 -24.411 1.00 0.00 H new ATOM 0 HB3 LYS A 672 -19.264 -15.293 -26.144 1.00 0.00 H new ATOM 0 HG2 LYS A 672 -21.642 -15.996 -24.367 1.00 0.00 H new ATOM 0 HG3 LYS A 672 -21.302 -14.424 -25.062 1.00 0.00 H new ATOM 0 HD2 LYS A 672 -21.948 -16.949 -26.660 1.00 0.00 H new ATOM 0 HD3 LYS A 672 -23.081 -15.658 -26.314 1.00 0.00 H new ATOM 0 HE2 LYS A 672 -21.678 -14.060 -27.613 1.00 0.00 H new ATOM 0 HE3 LYS A 672 -20.514 -15.330 -27.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 672 -22.012 -15.025 -29.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 672 -22.229 -16.568 -29.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 672 -23.357 -15.338 -28.798 1.00 0.00 H new ATOM 338 N PRO A 673 -17.161 -17.571 -26.655 1.00 0.00 N ATOM 339 CA PRO A 673 -15.687 -17.742 -26.653 1.00 0.00 C ATOM 340 C PRO A 673 -14.963 -16.657 -25.840 1.00 0.00 C ATOM 341 O PRO A 673 -15.534 -15.602 -25.563 1.00 0.00 O ATOM 342 CB PRO A 673 -15.289 -17.693 -28.143 1.00 0.00 C ATOM 343 CG PRO A 673 -16.459 -17.109 -28.871 1.00 0.00 C ATOM 344 CD PRO A 673 -17.690 -17.368 -28.023 1.00 0.00 C ATOM 0 HA PRO A 673 -15.397 -18.677 -26.173 1.00 0.00 H new ATOM 0 HB2 PRO A 673 -14.397 -17.083 -28.287 1.00 0.00 H new ATOM 0 HB3 PRO A 673 -15.057 -18.690 -28.517 1.00 0.00 H new ATOM 0 HG2 PRO A 673 -16.319 -16.040 -29.029 1.00 0.00 H new ATOM 0 HG3 PRO A 673 -16.567 -17.565 -29.855 1.00 0.00 H new ATOM 0 HD2 PRO A 673 -18.382 -16.527 -28.060 1.00 0.00 H new ATOM 0 HD3 PRO A 673 -18.235 -18.245 -28.372 1.00 0.00 H new ATOM 352 N ARG A 674 -13.689 -16.920 -25.498 1.00 0.00 N ATOM 353 CA ARG A 674 -12.898 -16.063 -24.598 1.00 0.00 C ATOM 354 C ARG A 674 -11.589 -15.586 -25.251 1.00 0.00 C ATOM 355 O ARG A 674 -11.144 -16.154 -26.254 1.00 0.00 O ATOM 356 CB ARG A 674 -12.655 -16.797 -23.239 1.00 0.00 C ATOM 357 CG ARG A 674 -12.226 -18.291 -23.316 1.00 0.00 C ATOM 358 CD ARG A 674 -10.854 -18.521 -23.959 1.00 0.00 C ATOM 359 NE ARG A 674 -10.420 -19.928 -23.919 1.00 0.00 N ATOM 360 CZ ARG A 674 -9.326 -20.410 -24.538 1.00 0.00 C ATOM 361 NH1 ARG A 674 -8.558 -19.618 -25.283 1.00 0.00 N ATOM 362 NH2 ARG A 674 -9.009 -21.686 -24.405 1.00 0.00 N ATOM 0 H ARG A 674 -13.178 -17.735 -25.839 1.00 0.00 H new ATOM 0 HA ARG A 674 -13.471 -15.158 -24.395 1.00 0.00 H new ATOM 0 HB2 ARG A 674 -11.888 -16.251 -22.690 1.00 0.00 H new ATOM 0 HB3 ARG A 674 -13.571 -16.736 -22.651 1.00 0.00 H new ATOM 0 HG2 ARG A 674 -12.216 -18.706 -22.308 1.00 0.00 H new ATOM 0 HG3 ARG A 674 -12.976 -18.844 -23.881 1.00 0.00 H new ATOM 0 HD2 ARG A 674 -10.886 -18.187 -24.996 1.00 0.00 H new ATOM 0 HD3 ARG A 674 -10.114 -17.905 -23.449 1.00 0.00 H new ATOM 0 HE ARG A 674 -10.989 -20.584 -23.384 1.00 0.00 H new ATOM 0 HH11 ARG A 674 -8.795 -18.632 -25.391 1.00 0.00 H new ATOM 0 HH12 ARG A 674 -7.732 -19.997 -25.746 1.00 0.00 H new ATOM 0 HH21 ARG A 674 -9.592 -22.300 -23.836 1.00 0.00 H new ATOM 0 HH22 ARG A 674 -8.181 -22.057 -24.872 1.00 0.00 H new ATOM 376 N VAL A 675 -11.001 -14.528 -24.667 1.00 0.00 N ATOM 377 CA VAL A 675 -9.677 -14.000 -25.035 1.00 0.00 C ATOM 378 C VAL A 675 -8.863 -13.697 -23.754 1.00 0.00 C ATOM 379 O VAL A 675 -9.275 -12.895 -22.901 1.00 0.00 O ATOM 380 CB VAL A 675 -9.770 -12.713 -25.963 1.00 0.00 C ATOM 381 CG1 VAL A 675 -10.299 -13.069 -27.364 1.00 0.00 C ATOM 382 CG2 VAL A 675 -10.635 -11.590 -25.340 1.00 0.00 C ATOM 0 H VAL A 675 -11.442 -14.005 -23.910 1.00 0.00 H new ATOM 0 HA VAL A 675 -9.166 -14.765 -25.619 1.00 0.00 H new ATOM 0 HB VAL A 675 -8.753 -12.332 -26.055 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -10.351 -12.167 -27.974 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -9.628 -13.787 -27.835 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -11.294 -13.505 -27.277 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -10.664 -10.736 -26.016 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -11.648 -11.959 -25.178 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -10.203 -11.284 -24.387 1.00 0.00 H new ATOM 392 N GLN A 676 -7.731 -14.406 -23.601 1.00 0.00 N ATOM 393 CA GLN A 676 -6.766 -14.184 -22.510 1.00 0.00 C ATOM 394 C GLN A 676 -5.761 -13.108 -22.948 1.00 0.00 C ATOM 395 O GLN A 676 -4.870 -13.377 -23.760 1.00 0.00 O ATOM 396 CB GLN A 676 -6.019 -15.506 -22.137 1.00 0.00 C ATOM 397 CG GLN A 676 -6.794 -16.498 -21.247 1.00 0.00 C ATOM 398 CD GLN A 676 -8.097 -16.993 -21.850 1.00 0.00 C ATOM 399 OE1 GLN A 676 -8.095 -17.940 -22.627 1.00 0.00 O ATOM 400 NE2 GLN A 676 -9.221 -16.382 -21.481 1.00 0.00 N ATOM 0 H GLN A 676 -7.458 -15.156 -24.237 1.00 0.00 H new ATOM 0 HA GLN A 676 -7.304 -13.851 -21.623 1.00 0.00 H new ATOM 0 HB2 GLN A 676 -5.744 -16.016 -23.060 1.00 0.00 H new ATOM 0 HB3 GLN A 676 -5.091 -15.243 -21.630 1.00 0.00 H new ATOM 0 HG2 GLN A 676 -6.155 -17.356 -21.038 1.00 0.00 H new ATOM 0 HG3 GLN A 676 -7.008 -16.020 -20.291 1.00 0.00 H new ATOM 0 HE21 GLN A 676 -9.185 -15.596 -20.832 1.00 0.00 H new ATOM 0 HE22 GLN A 676 -10.118 -16.700 -21.848 1.00 0.00 H new ATOM 409 N CYS A 677 -5.913 -11.882 -22.424 1.00 0.00 N ATOM 410 CA CYS A 677 -5.030 -10.762 -22.780 1.00 0.00 C ATOM 411 C CYS A 677 -3.674 -10.933 -22.089 1.00 0.00 C ATOM 412 O CYS A 677 -3.484 -10.484 -20.954 1.00 0.00 O ATOM 413 CB CYS A 677 -5.656 -9.409 -22.399 1.00 0.00 C ATOM 414 SG CYS A 677 -4.610 -7.969 -22.794 1.00 0.00 S ATOM 0 H CYS A 677 -6.641 -11.641 -21.751 1.00 0.00 H new ATOM 0 HA CYS A 677 -4.890 -10.769 -23.861 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -6.610 -9.304 -22.915 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -5.870 -9.407 -21.330 1.00 0.00 H new ATOM 419 N LEU A 678 -2.758 -11.611 -22.798 1.00 0.00 N ATOM 420 CA LEU A 678 -1.381 -11.902 -22.331 1.00 0.00 C ATOM 421 C LEU A 678 -0.575 -10.615 -22.015 1.00 0.00 C ATOM 422 O LEU A 678 0.390 -10.654 -21.252 1.00 0.00 O ATOM 423 CB LEU A 678 -0.680 -12.798 -23.402 1.00 0.00 C ATOM 424 CG LEU A 678 -0.679 -12.259 -24.889 1.00 0.00 C ATOM 425 CD1 LEU A 678 0.583 -11.423 -25.211 1.00 0.00 C ATOM 426 CD2 LEU A 678 -0.875 -13.402 -25.924 1.00 0.00 C ATOM 0 H LEU A 678 -2.950 -11.981 -23.729 1.00 0.00 H new ATOM 0 HA LEU A 678 -1.428 -12.440 -21.384 1.00 0.00 H new ATOM 0 HB2 LEU A 678 0.355 -12.949 -23.094 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.161 -13.776 -23.395 1.00 0.00 H new ATOM 0 HG LEU A 678 -1.537 -11.591 -24.971 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.536 -11.076 -26.243 1.00 0.00 H new ATOM 0 HD12 LEU A 678 0.631 -10.564 -24.541 1.00 0.00 H new ATOM 0 HD13 LEU A 678 1.472 -12.039 -25.075 1.00 0.00 H new ATOM 0 HD21 LEU A 678 -0.868 -12.986 -26.931 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.066 -14.126 -25.824 1.00 0.00 H new ATOM 0 HD23 LEU A 678 -1.829 -13.897 -25.743 1.00 0.00 H new ATOM 438 N LYS A 679 -1.011 -9.486 -22.615 1.00 0.00 N ATOM 439 CA LYS A 679 -0.401 -8.164 -22.416 1.00 0.00 C ATOM 440 C LYS A 679 -0.512 -7.667 -20.953 1.00 0.00 C ATOM 441 O LYS A 679 0.393 -6.985 -20.468 1.00 0.00 O ATOM 442 CB LYS A 679 -1.047 -7.152 -23.405 1.00 0.00 C ATOM 443 CG LYS A 679 -0.468 -5.712 -23.361 1.00 0.00 C ATOM 444 CD LYS A 679 -0.849 -4.856 -24.603 1.00 0.00 C ATOM 445 CE LYS A 679 -0.195 -5.369 -25.901 1.00 0.00 C ATOM 446 NZ LYS A 679 1.293 -5.356 -25.825 1.00 0.00 N ATOM 0 H LYS A 679 -1.804 -9.472 -23.256 1.00 0.00 H new ATOM 0 HA LYS A 679 0.666 -8.249 -22.621 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -0.935 -7.539 -24.418 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -2.116 -7.101 -23.199 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -0.825 -5.212 -22.461 1.00 0.00 H new ATOM 0 HG3 LYS A 679 0.618 -5.767 -23.286 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -1.933 -4.857 -24.722 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -0.548 -3.822 -24.433 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -0.538 -6.384 -26.102 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -0.520 -4.751 -26.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 1.690 -5.511 -26.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 1.614 -4.436 -25.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 1.615 -6.112 -25.187 1.00 0.00 H new ATOM 460 N CYS A 680 -1.606 -8.030 -20.236 1.00 0.00 N ATOM 461 CA CYS A 680 -1.839 -7.530 -18.852 1.00 0.00 C ATOM 462 C CYS A 680 -2.586 -8.567 -17.977 1.00 0.00 C ATOM 463 O CYS A 680 -3.140 -8.206 -16.929 1.00 0.00 O ATOM 464 CB CYS A 680 -2.627 -6.189 -18.892 1.00 0.00 C ATOM 465 SG CYS A 680 -4.388 -6.357 -19.317 1.00 0.00 S ATOM 0 H CYS A 680 -2.331 -8.657 -20.584 1.00 0.00 H new ATOM 0 HA CYS A 680 -0.864 -7.362 -18.395 1.00 0.00 H new ATOM 0 HB2 CYS A 680 -2.546 -5.706 -17.918 1.00 0.00 H new ATOM 0 HB3 CYS A 680 -2.154 -5.526 -19.616 1.00 0.00 H new ATOM 470 N HIS A 681 -2.567 -9.856 -18.410 1.00 0.00 N ATOM 471 CA HIS A 681 -3.228 -10.991 -17.708 1.00 0.00 C ATOM 472 C HIS A 681 -4.754 -10.772 -17.535 1.00 0.00 C ATOM 473 O HIS A 681 -5.352 -11.316 -16.611 1.00 0.00 O ATOM 474 CB HIS A 681 -2.559 -11.275 -16.326 1.00 0.00 C ATOM 475 CG HIS A 681 -1.114 -11.703 -16.401 1.00 0.00 C ATOM 476 ND1 HIS A 681 -0.711 -13.021 -16.318 1.00 0.00 N ATOM 477 CD2 HIS A 681 0.020 -10.978 -16.537 1.00 0.00 C ATOM 478 CE1 HIS A 681 0.603 -13.083 -16.403 1.00 0.00 C ATOM 479 NE2 HIS A 681 1.068 -11.860 -16.537 1.00 0.00 N ATOM 0 H HIS A 681 -2.088 -10.140 -19.265 1.00 0.00 H new ATOM 0 HA HIS A 681 -3.093 -11.865 -18.345 1.00 0.00 H new ATOM 0 HB2 HIS A 681 -2.626 -10.376 -15.714 1.00 0.00 H new ATOM 0 HB3 HIS A 681 -3.128 -12.052 -15.815 1.00 0.00 H new ATOM 0 HD2 HIS A 681 0.087 -9.904 -16.629 1.00 0.00 H new ATOM 0 HE1 HIS A 681 1.197 -13.985 -16.368 1.00 0.00 H new ATOM 0 HE2 HIS A 681 2.052 -11.608 -16.627 1.00 0.00 H new ATOM 488 N LEU A 682 -5.392 -10.029 -18.461 1.00 0.00 N ATOM 489 CA LEU A 682 -6.827 -9.660 -18.343 1.00 0.00 C ATOM 490 C LEU A 682 -7.650 -10.691 -19.127 1.00 0.00 C ATOM 491 O LEU A 682 -7.579 -10.722 -20.356 1.00 0.00 O ATOM 492 CB LEU A 682 -7.062 -8.211 -18.889 1.00 0.00 C ATOM 493 CG LEU A 682 -8.417 -7.482 -18.541 1.00 0.00 C ATOM 494 CD1 LEU A 682 -9.650 -8.096 -19.234 1.00 0.00 C ATOM 495 CD2 LEU A 682 -8.633 -7.398 -17.024 1.00 0.00 C ATOM 0 H LEU A 682 -4.940 -9.670 -19.302 1.00 0.00 H new ATOM 0 HA LEU A 682 -7.138 -9.666 -17.298 1.00 0.00 H new ATOM 0 HB2 LEU A 682 -6.247 -7.585 -18.526 1.00 0.00 H new ATOM 0 HB3 LEU A 682 -6.976 -8.249 -19.975 1.00 0.00 H new ATOM 0 HG LEU A 682 -8.315 -6.473 -18.940 1.00 0.00 H new ATOM 0 HD11 LEU A 682 -10.543 -7.541 -18.946 1.00 0.00 H new ATOM 0 HD12 LEU A 682 -9.523 -8.044 -20.315 1.00 0.00 H new ATOM 0 HD13 LEU A 682 -9.756 -9.138 -18.931 1.00 0.00 H new ATOM 0 HD21 LEU A 682 -9.575 -6.890 -16.818 1.00 0.00 H new ATOM 0 HD22 LEU A 682 -8.664 -8.404 -16.605 1.00 0.00 H new ATOM 0 HD23 LEU A 682 -7.814 -6.840 -16.570 1.00 0.00 H new ATOM 507 N TRP A 683 -8.434 -11.510 -18.423 1.00 0.00 N ATOM 508 CA TRP A 683 -9.276 -12.531 -19.066 1.00 0.00 C ATOM 509 C TRP A 683 -10.599 -11.860 -19.466 1.00 0.00 C ATOM 510 O TRP A 683 -11.142 -11.036 -18.715 1.00 0.00 O ATOM 511 CB TRP A 683 -9.531 -13.763 -18.138 1.00 0.00 C ATOM 512 CG TRP A 683 -8.389 -14.146 -17.201 1.00 0.00 C ATOM 513 CD1 TRP A 683 -8.516 -14.450 -15.875 1.00 0.00 C ATOM 514 CD2 TRP A 683 -6.979 -14.268 -17.491 1.00 0.00 C ATOM 515 NE1 TRP A 683 -7.302 -14.738 -15.330 1.00 0.00 N ATOM 516 CE2 TRP A 683 -6.342 -14.642 -16.290 1.00 0.00 C ATOM 517 CE3 TRP A 683 -6.189 -14.102 -18.632 1.00 0.00 C ATOM 518 CZ2 TRP A 683 -4.971 -14.843 -16.194 1.00 0.00 C ATOM 519 CZ3 TRP A 683 -4.826 -14.310 -18.539 1.00 0.00 C ATOM 520 CH2 TRP A 683 -4.232 -14.680 -17.325 1.00 0.00 C ATOM 0 H TRP A 683 -8.506 -11.489 -17.406 1.00 0.00 H new ATOM 0 HA TRP A 683 -8.761 -12.921 -19.944 1.00 0.00 H new ATOM 0 HB2 TRP A 683 -10.416 -13.561 -17.535 1.00 0.00 H new ATOM 0 HB3 TRP A 683 -9.763 -14.623 -18.766 1.00 0.00 H new ATOM 0 HD1 TRP A 683 -9.451 -14.460 -15.334 1.00 0.00 H new ATOM 0 HE1 TRP A 683 -7.138 -14.987 -14.355 1.00 0.00 H new ATOM 0 HE3 TRP A 683 -6.637 -13.816 -19.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 683 -4.509 -15.118 -15.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 683 -4.209 -14.185 -19.416 1.00 0.00 H new ATOM 0 HH2 TRP A 683 -3.165 -14.839 -17.286 1.00 0.00 H new ATOM 531 N GLN A 684 -11.096 -12.194 -20.651 1.00 0.00 N ATOM 532 CA GLN A 684 -12.293 -11.565 -21.228 1.00 0.00 C ATOM 533 C GLN A 684 -13.010 -12.579 -22.146 1.00 0.00 C ATOM 534 O GLN A 684 -12.551 -13.713 -22.299 1.00 0.00 O ATOM 535 CB GLN A 684 -11.854 -10.289 -22.019 1.00 0.00 C ATOM 536 CG GLN A 684 -12.966 -9.244 -22.302 1.00 0.00 C ATOM 537 CD GLN A 684 -13.014 -8.055 -21.335 1.00 0.00 C ATOM 538 OE1 GLN A 684 -13.382 -6.951 -21.732 1.00 0.00 O ATOM 539 NE2 GLN A 684 -12.662 -8.261 -20.073 1.00 0.00 N ATOM 0 H GLN A 684 -10.683 -12.911 -21.247 1.00 0.00 H new ATOM 0 HA GLN A 684 -12.991 -11.268 -20.445 1.00 0.00 H new ATOM 0 HB2 GLN A 684 -11.056 -9.798 -21.462 1.00 0.00 H new ATOM 0 HB3 GLN A 684 -11.430 -10.605 -22.972 1.00 0.00 H new ATOM 0 HG2 GLN A 684 -12.833 -8.862 -23.314 1.00 0.00 H new ATOM 0 HG3 GLN A 684 -13.931 -9.750 -22.277 1.00 0.00 H new ATOM 0 HE21 GLN A 684 -12.361 -9.188 -19.772 1.00 0.00 H new ATOM 0 HE22 GLN A 684 -12.693 -7.492 -19.403 1.00 0.00 H new ATOM 548 N HIS A 685 -14.162 -12.181 -22.721 1.00 0.00 N ATOM 549 CA HIS A 685 -14.800 -12.910 -23.839 1.00 0.00 C ATOM 550 C HIS A 685 -14.373 -12.297 -25.178 1.00 0.00 C ATOM 551 O HIS A 685 -14.206 -11.073 -25.271 1.00 0.00 O ATOM 552 CB HIS A 685 -16.345 -12.890 -23.738 1.00 0.00 C ATOM 553 CG HIS A 685 -16.912 -13.761 -22.649 1.00 0.00 C ATOM 554 ND1 HIS A 685 -17.709 -13.228 -21.684 1.00 0.00 N ATOM 555 CD2 HIS A 685 -16.808 -15.104 -22.452 1.00 0.00 C ATOM 556 CE1 HIS A 685 -18.087 -14.229 -20.926 1.00 0.00 C ATOM 557 NE2 HIS A 685 -17.566 -15.394 -21.349 1.00 0.00 N ATOM 0 H HIS A 685 -14.675 -11.350 -22.427 1.00 0.00 H new ATOM 0 HA HIS A 685 -14.470 -13.947 -23.779 1.00 0.00 H new ATOM 0 HB2 HIS A 685 -16.672 -11.864 -23.572 1.00 0.00 H new ATOM 0 HB3 HIS A 685 -16.763 -13.207 -24.694 1.00 0.00 H new ATOM 0 HD2 HIS A 685 -16.240 -15.803 -23.048 1.00 0.00 H new ATOM 0 HE1 HIS A 685 -18.736 -14.130 -20.069 1.00 0.00 H new ATOM 0 HE2 HIS A 685 -17.708 -16.313 -20.931 1.00 0.00 H new ATOM 565 N ALA A 686 -14.219 -13.158 -26.202 1.00 0.00 N ATOM 566 CA ALA A 686 -13.974 -12.724 -27.578 1.00 0.00 C ATOM 567 C ALA A 686 -15.153 -11.869 -28.080 1.00 0.00 C ATOM 568 O ALA A 686 -14.978 -10.769 -28.599 1.00 0.00 O ATOM 569 CB ALA A 686 -13.764 -13.958 -28.476 1.00 0.00 C ATOM 0 H ALA A 686 -14.262 -14.171 -26.092 1.00 0.00 H new ATOM 0 HA ALA A 686 -13.074 -12.111 -27.614 1.00 0.00 H new ATOM 0 HB1 ALA A 686 -13.582 -13.635 -29.501 1.00 0.00 H new ATOM 0 HB2 ALA A 686 -12.907 -14.528 -28.117 1.00 0.00 H new ATOM 0 HB3 ALA A 686 -14.655 -14.585 -28.446 1.00 0.00 H new ATOM 575 N LYS A 687 -16.367 -12.385 -27.869 1.00 0.00 N ATOM 576 CA LYS A 687 -17.607 -11.767 -28.357 1.00 0.00 C ATOM 577 C LYS A 687 -18.092 -10.603 -27.452 1.00 0.00 C ATOM 578 O LYS A 687 -19.202 -10.093 -27.626 1.00 0.00 O ATOM 579 CB LYS A 687 -18.676 -12.876 -28.499 1.00 0.00 C ATOM 580 CG LYS A 687 -18.243 -14.044 -29.426 1.00 0.00 C ATOM 581 CD LYS A 687 -18.069 -13.632 -30.906 1.00 0.00 C ATOM 582 CE LYS A 687 -19.405 -13.474 -31.636 1.00 0.00 C ATOM 583 NZ LYS A 687 -19.242 -12.837 -32.967 1.00 0.00 N ATOM 0 H LYS A 687 -16.520 -13.250 -27.351 1.00 0.00 H new ATOM 0 HA LYS A 687 -17.419 -11.310 -29.328 1.00 0.00 H new ATOM 0 HB2 LYS A 687 -18.907 -13.274 -27.511 1.00 0.00 H new ATOM 0 HB3 LYS A 687 -19.594 -12.436 -28.888 1.00 0.00 H new ATOM 0 HG2 LYS A 687 -17.303 -14.457 -29.060 1.00 0.00 H new ATOM 0 HG3 LYS A 687 -18.986 -14.839 -29.365 1.00 0.00 H new ATOM 0 HD2 LYS A 687 -17.519 -12.692 -30.955 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -17.466 -14.381 -31.419 1.00 0.00 H new ATOM 0 HE2 LYS A 687 -19.869 -14.453 -31.757 1.00 0.00 H new ATOM 0 HE3 LYS A 687 -20.081 -12.874 -31.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -20.178 -12.626 -33.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -18.702 -11.954 -32.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -18.732 -13.484 -33.601 1.00 0.00 H new ATOM 597 N CYS A 688 -17.256 -10.201 -26.473 1.00 0.00 N ATOM 598 CA CYS A 688 -17.451 -8.958 -25.693 1.00 0.00 C ATOM 599 C CYS A 688 -16.522 -7.845 -26.217 1.00 0.00 C ATOM 600 O CYS A 688 -16.667 -6.682 -25.824 1.00 0.00 O ATOM 601 CB CYS A 688 -17.200 -9.204 -24.181 1.00 0.00 C ATOM 602 SG CYS A 688 -18.502 -10.168 -23.359 1.00 0.00 S ATOM 0 H CYS A 688 -16.426 -10.728 -26.200 1.00 0.00 H new ATOM 0 HA CYS A 688 -18.486 -8.639 -25.817 1.00 0.00 H new ATOM 0 HB2 CYS A 688 -16.249 -9.723 -24.061 1.00 0.00 H new ATOM 0 HB3 CYS A 688 -17.104 -8.242 -23.679 1.00 0.00 H new ATOM 607 N VAL A 689 -15.561 -8.210 -27.108 1.00 0.00 N ATOM 608 CA VAL A 689 -14.523 -7.280 -27.622 1.00 0.00 C ATOM 609 C VAL A 689 -14.488 -7.275 -29.175 1.00 0.00 C ATOM 610 O VAL A 689 -13.469 -6.897 -29.779 1.00 0.00 O ATOM 611 CB VAL A 689 -13.099 -7.623 -27.013 1.00 0.00 C ATOM 612 CG1 VAL A 689 -13.154 -7.595 -25.470 1.00 0.00 C ATOM 613 CG2 VAL A 689 -12.547 -8.982 -27.502 1.00 0.00 C ATOM 0 H VAL A 689 -15.486 -9.154 -27.488 1.00 0.00 H new ATOM 0 HA VAL A 689 -14.789 -6.274 -27.298 1.00 0.00 H new ATOM 0 HB VAL A 689 -12.412 -6.855 -27.369 1.00 0.00 H new ATOM 0 HG11 VAL A 689 -12.170 -7.832 -25.066 1.00 0.00 H new ATOM 0 HG12 VAL A 689 -13.454 -6.602 -25.135 1.00 0.00 H new ATOM 0 HG13 VAL A 689 -13.877 -8.331 -25.118 1.00 0.00 H new ATOM 0 HG21 VAL A 689 -11.571 -9.161 -27.052 1.00 0.00 H new ATOM 0 HG22 VAL A 689 -13.232 -9.779 -27.212 1.00 0.00 H new ATOM 0 HG23 VAL A 689 -12.448 -8.965 -28.587 1.00 0.00 H new ATOM 623 N ASN A 690 -15.630 -7.675 -29.807 1.00 0.00 N ATOM 624 CA ASN A 690 -15.832 -7.643 -31.290 1.00 0.00 C ATOM 625 C ASN A 690 -14.860 -8.604 -32.015 1.00 0.00 C ATOM 626 O ASN A 690 -14.408 -8.349 -33.139 1.00 0.00 O ATOM 627 CB ASN A 690 -15.699 -6.184 -31.838 1.00 0.00 C ATOM 628 CG ASN A 690 -16.681 -5.190 -31.204 1.00 0.00 C ATOM 629 OD1 ASN A 690 -17.810 -5.541 -30.861 1.00 0.00 O ATOM 630 ND2 ASN A 690 -16.256 -3.943 -31.039 1.00 0.00 N ATOM 0 H ASN A 690 -16.441 -8.031 -29.301 1.00 0.00 H new ATOM 0 HA ASN A 690 -16.845 -7.990 -31.495 1.00 0.00 H new ATOM 0 HB2 ASN A 690 -14.681 -5.833 -31.667 1.00 0.00 H new ATOM 0 HB3 ASN A 690 -15.855 -6.196 -32.917 1.00 0.00 H new ATOM 0 HD21 ASN A 690 -16.871 -3.246 -30.618 1.00 0.00 H new ATOM 0 HD22 ASN A 690 -15.315 -3.682 -31.333 1.00 0.00 H new ATOM 637 N TYR A 691 -14.616 -9.742 -31.376 1.00 0.00 N ATOM 638 CA TYR A 691 -13.601 -10.736 -31.778 1.00 0.00 C ATOM 639 C TYR A 691 -14.294 -12.110 -31.835 1.00 0.00 C ATOM 640 O TYR A 691 -15.197 -12.361 -31.046 1.00 0.00 O ATOM 641 CB TYR A 691 -12.474 -10.686 -30.702 1.00 0.00 C ATOM 642 CG TYR A 691 -11.154 -11.403 -31.021 1.00 0.00 C ATOM 643 CD1 TYR A 691 -10.995 -12.767 -30.799 1.00 0.00 C ATOM 644 CD2 TYR A 691 -10.044 -10.697 -31.491 1.00 0.00 C ATOM 645 CE1 TYR A 691 -9.793 -13.398 -31.049 1.00 0.00 C ATOM 646 CE2 TYR A 691 -8.843 -11.331 -31.747 1.00 0.00 C ATOM 647 CZ TYR A 691 -8.721 -12.678 -31.518 1.00 0.00 C ATOM 648 OH TYR A 691 -7.517 -13.305 -31.762 1.00 0.00 O ATOM 0 H TYR A 691 -15.129 -10.016 -30.538 1.00 0.00 H new ATOM 0 HA TYR A 691 -13.163 -10.538 -32.756 1.00 0.00 H new ATOM 0 HB2 TYR A 691 -12.247 -9.639 -30.501 1.00 0.00 H new ATOM 0 HB3 TYR A 691 -12.871 -11.109 -29.779 1.00 0.00 H new ATOM 0 HD1 TYR A 691 -11.828 -13.343 -30.424 1.00 0.00 H new ATOM 0 HD2 TYR A 691 -10.126 -9.633 -31.658 1.00 0.00 H new ATOM 0 HE1 TYR A 691 -9.695 -14.459 -30.876 1.00 0.00 H new ATOM 0 HE2 TYR A 691 -8.003 -10.768 -32.126 1.00 0.00 H new ATOM 0 HH TYR A 691 -7.615 -13.918 -32.520 1.00 0.00 H new ATOM 658 N ASP A 692 -13.914 -12.979 -32.777 1.00 0.00 N ATOM 659 CA ASP A 692 -14.494 -14.347 -32.887 1.00 0.00 C ATOM 660 C ASP A 692 -13.445 -15.412 -32.555 1.00 0.00 C ATOM 661 O ASP A 692 -12.232 -15.157 -32.653 1.00 0.00 O ATOM 662 CB ASP A 692 -15.070 -14.603 -34.309 1.00 0.00 C ATOM 663 CG ASP A 692 -16.449 -13.964 -34.534 1.00 0.00 C ATOM 664 OD1 ASP A 692 -16.529 -12.743 -34.797 1.00 0.00 O ATOM 665 OD2 ASP A 692 -17.471 -14.682 -34.430 1.00 0.00 O ATOM 0 H ASP A 692 -13.207 -12.771 -33.482 1.00 0.00 H new ATOM 0 HA ASP A 692 -15.308 -14.414 -32.166 1.00 0.00 H new ATOM 0 HB2 ASP A 692 -14.372 -14.214 -35.051 1.00 0.00 H new ATOM 0 HB3 ASP A 692 -15.145 -15.678 -34.474 1.00 0.00 H new ATOM 670 N GLU A 693 -13.922 -16.627 -32.188 1.00 0.00 N ATOM 671 CA GLU A 693 -13.026 -17.785 -31.952 1.00 0.00 C ATOM 672 C GLU A 693 -12.390 -18.258 -33.274 1.00 0.00 C ATOM 673 O GLU A 693 -11.265 -18.782 -33.289 1.00 0.00 O ATOM 674 CB GLU A 693 -13.741 -18.940 -31.190 1.00 0.00 C ATOM 675 CG GLU A 693 -14.931 -19.637 -31.908 1.00 0.00 C ATOM 676 CD GLU A 693 -14.531 -20.862 -32.764 1.00 0.00 C ATOM 677 OE1 GLU A 693 -14.112 -21.889 -32.182 1.00 0.00 O ATOM 678 OE2 GLU A 693 -14.633 -20.814 -34.006 1.00 0.00 O ATOM 0 H GLU A 693 -14.912 -16.829 -32.050 1.00 0.00 H new ATOM 0 HA GLU A 693 -12.220 -17.453 -31.298 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -12.997 -19.701 -30.954 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -14.104 -18.545 -30.241 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -15.657 -19.954 -31.159 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -15.430 -18.909 -32.548 1.00 0.00 H new ATOM 685 N LYS A 694 -13.091 -17.955 -34.380 1.00 0.00 N ATOM 686 CA LYS A 694 -12.664 -18.276 -35.756 1.00 0.00 C ATOM 687 C LYS A 694 -11.302 -17.611 -36.079 1.00 0.00 C ATOM 688 O LYS A 694 -10.547 -18.102 -36.927 1.00 0.00 O ATOM 689 CB LYS A 694 -13.753 -17.840 -36.794 1.00 0.00 C ATOM 690 CG LYS A 694 -15.135 -18.561 -36.687 1.00 0.00 C ATOM 691 CD LYS A 694 -16.038 -18.042 -35.536 1.00 0.00 C ATOM 692 CE LYS A 694 -17.344 -18.842 -35.375 1.00 0.00 C ATOM 693 NZ LYS A 694 -18.193 -18.801 -36.594 1.00 0.00 N ATOM 0 H LYS A 694 -13.988 -17.471 -34.344 1.00 0.00 H new ATOM 0 HA LYS A 694 -12.541 -19.357 -35.827 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -13.917 -16.768 -36.689 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -13.357 -18.005 -37.796 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -15.667 -18.444 -37.631 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -14.965 -19.628 -36.547 1.00 0.00 H new ATOM 0 HD2 LYS A 694 -15.480 -18.080 -34.601 1.00 0.00 H new ATOM 0 HD3 LYS A 694 -16.282 -16.996 -35.719 1.00 0.00 H new ATOM 0 HE2 LYS A 694 -17.104 -19.879 -35.139 1.00 0.00 H new ATOM 0 HE3 LYS A 694 -17.907 -18.445 -34.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 -19.059 -19.354 -36.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 -18.447 -17.815 -36.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 -17.668 -19.205 -37.396 1.00 0.00 H new ATOM 707 N ASN A 695 -10.997 -16.500 -35.375 1.00 0.00 N ATOM 708 CA ASN A 695 -9.705 -15.793 -35.480 1.00 0.00 C ATOM 709 C ASN A 695 -8.928 -15.790 -34.136 1.00 0.00 C ATOM 710 O ASN A 695 -7.843 -15.214 -34.058 1.00 0.00 O ATOM 711 CB ASN A 695 -9.924 -14.353 -36.020 1.00 0.00 C ATOM 712 CG ASN A 695 -10.899 -13.511 -35.196 1.00 0.00 C ATOM 713 OD1 ASN A 695 -12.105 -13.516 -35.441 1.00 0.00 O ATOM 714 ND2 ASN A 695 -10.393 -12.779 -34.226 1.00 0.00 N ATOM 0 H ASN A 695 -11.644 -16.067 -34.715 1.00 0.00 H new ATOM 0 HA ASN A 695 -9.083 -16.336 -36.191 1.00 0.00 H new ATOM 0 HB2 ASN A 695 -8.962 -13.841 -36.056 1.00 0.00 H new ATOM 0 HB3 ASN A 695 -10.292 -14.414 -37.044 1.00 0.00 H new ATOM 0 HD21 ASN A 695 -11.005 -12.196 -33.655 1.00 0.00 H new ATOM 0 HD22 ASN A 695 -9.389 -12.795 -34.046 1.00 0.00 H new ATOM 721 N LEU A 696 -9.486 -16.437 -33.089 1.00 0.00 N ATOM 722 CA LEU A 696 -8.775 -16.686 -31.797 1.00 0.00 C ATOM 723 C LEU A 696 -7.610 -17.663 -32.002 1.00 0.00 C ATOM 724 O LEU A 696 -6.499 -17.453 -31.498 1.00 0.00 O ATOM 725 CB LEU A 696 -9.767 -17.266 -30.742 1.00 0.00 C ATOM 726 CG LEU A 696 -9.193 -17.670 -29.345 1.00 0.00 C ATOM 727 CD1 LEU A 696 -8.742 -16.437 -28.537 1.00 0.00 C ATOM 728 CD2 LEU A 696 -10.216 -18.526 -28.546 1.00 0.00 C ATOM 0 H LEU A 696 -10.438 -16.803 -33.107 1.00 0.00 H new ATOM 0 HA LEU A 696 -8.379 -15.737 -31.435 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -10.553 -16.528 -30.580 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -10.241 -18.146 -31.176 1.00 0.00 H new ATOM 0 HG LEU A 696 -8.309 -18.283 -29.519 1.00 0.00 H new ATOM 0 HD11 LEU A 696 -8.349 -16.758 -27.572 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -7.965 -15.906 -29.087 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -9.593 -15.774 -28.380 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -9.790 -18.793 -27.579 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -11.130 -17.953 -28.394 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -10.445 -19.434 -29.104 1.00 0.00 H new ATOM 740 N LYS A 697 -7.901 -18.733 -32.761 1.00 0.00 N ATOM 741 CA LYS A 697 -6.948 -19.845 -33.017 1.00 0.00 C ATOM 742 C LYS A 697 -5.704 -19.399 -33.828 1.00 0.00 C ATOM 743 O LYS A 697 -4.689 -20.106 -33.838 1.00 0.00 O ATOM 744 CB LYS A 697 -7.687 -21.038 -33.729 1.00 0.00 C ATOM 745 CG LYS A 697 -8.179 -22.166 -32.781 1.00 0.00 C ATOM 746 CD LYS A 697 -9.274 -21.696 -31.786 1.00 0.00 C ATOM 747 CE LYS A 697 -10.670 -21.613 -32.422 1.00 0.00 C ATOM 748 NZ LYS A 697 -11.265 -22.944 -32.687 1.00 0.00 N ATOM 0 H LYS A 697 -8.804 -18.859 -33.219 1.00 0.00 H new ATOM 0 HA LYS A 697 -6.576 -20.180 -32.049 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -8.544 -20.642 -34.273 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -7.014 -21.473 -34.468 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -8.570 -22.989 -33.379 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -7.330 -22.555 -32.219 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -9.307 -22.383 -30.940 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -9.002 -20.717 -31.391 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -11.331 -21.050 -31.763 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -10.605 -21.057 -33.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -12.297 -22.892 -32.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -11.041 -23.237 -33.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -10.875 -23.638 -32.017 1.00 0.00 H new ATOM 762 N ILE A 698 -5.782 -18.229 -34.492 1.00 0.00 N ATOM 763 CA ILE A 698 -4.712 -17.744 -35.401 1.00 0.00 C ATOM 764 C ILE A 698 -4.123 -16.382 -34.943 1.00 0.00 C ATOM 765 O ILE A 698 -2.921 -16.298 -34.659 1.00 0.00 O ATOM 766 CB ILE A 698 -5.219 -17.684 -36.906 1.00 0.00 C ATOM 767 CG1 ILE A 698 -6.611 -16.988 -36.998 1.00 0.00 C ATOM 768 CG2 ILE A 698 -5.270 -19.105 -37.529 1.00 0.00 C ATOM 769 CD1 ILE A 698 -7.249 -16.958 -38.378 1.00 0.00 C ATOM 0 H ILE A 698 -6.578 -17.595 -34.418 1.00 0.00 H new ATOM 0 HA ILE A 698 -3.899 -18.468 -35.352 1.00 0.00 H new ATOM 0 HB ILE A 698 -4.507 -17.089 -37.477 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -7.294 -17.493 -36.314 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -6.507 -15.962 -36.645 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -5.620 -19.038 -38.559 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -4.273 -19.546 -37.512 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -5.953 -19.730 -36.954 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -8.212 -16.451 -38.323 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -6.597 -16.424 -39.069 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -7.396 -17.978 -38.733 1.00 0.00 H new ATOM 781 N LYS A 699 -4.958 -15.329 -34.864 1.00 0.00 N ATOM 782 CA LYS A 699 -4.495 -13.954 -34.561 1.00 0.00 C ATOM 783 C LYS A 699 -4.255 -13.733 -33.047 1.00 0.00 C ATOM 784 O LYS A 699 -4.839 -14.437 -32.215 1.00 0.00 O ATOM 785 CB LYS A 699 -5.546 -12.940 -35.082 1.00 0.00 C ATOM 786 CG LYS A 699 -5.658 -12.894 -36.619 1.00 0.00 C ATOM 787 CD LYS A 699 -6.929 -12.161 -37.090 1.00 0.00 C ATOM 788 CE LYS A 699 -6.983 -10.694 -36.627 1.00 0.00 C ATOM 789 NZ LYS A 699 -8.209 -10.000 -37.095 1.00 0.00 N ATOM 0 H LYS A 699 -5.965 -15.402 -35.006 1.00 0.00 H new ATOM 0 HA LYS A 699 -3.538 -13.804 -35.062 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.520 -13.193 -34.664 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -5.291 -11.946 -34.716 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -4.780 -12.396 -37.030 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -5.661 -13.911 -37.012 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -6.979 -12.195 -38.178 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -7.806 -12.688 -36.714 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -6.940 -10.657 -35.538 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -6.105 -10.166 -36.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -8.201 -9.016 -36.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -8.239 -10.011 -38.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -9.048 -10.487 -36.720 1.00 0.00 H new ATOM 803 N PRO A 700 -3.360 -12.757 -32.680 1.00 0.00 N ATOM 804 CA PRO A 700 -3.240 -12.241 -31.289 1.00 0.00 C ATOM 805 C PRO A 700 -4.558 -11.630 -30.765 1.00 0.00 C ATOM 806 O PRO A 700 -5.366 -11.091 -31.533 1.00 0.00 O ATOM 807 CB PRO A 700 -2.129 -11.161 -31.396 1.00 0.00 C ATOM 808 CG PRO A 700 -2.053 -10.832 -32.852 1.00 0.00 C ATOM 809 CD PRO A 700 -2.350 -12.117 -33.571 1.00 0.00 C ATOM 0 HA PRO A 700 -3.007 -13.035 -30.580 1.00 0.00 H new ATOM 0 HB2 PRO A 700 -2.376 -10.280 -30.804 1.00 0.00 H new ATOM 0 HB3 PRO A 700 -1.175 -11.537 -31.025 1.00 0.00 H new ATOM 0 HG2 PRO A 700 -2.774 -10.058 -33.117 1.00 0.00 H new ATOM 0 HG3 PRO A 700 -1.066 -10.453 -33.118 1.00 0.00 H new ATOM 0 HD2 PRO A 700 -2.745 -11.941 -34.572 1.00 0.00 H new ATOM 0 HD3 PRO A 700 -1.459 -12.734 -33.684 1.00 0.00 H new ATOM 817 N PHE A 701 -4.735 -11.702 -29.442 1.00 0.00 N ATOM 818 CA PHE A 701 -5.960 -11.281 -28.760 1.00 0.00 C ATOM 819 C PHE A 701 -5.603 -10.528 -27.479 1.00 0.00 C ATOM 820 O PHE A 701 -4.822 -11.011 -26.642 1.00 0.00 O ATOM 821 CB PHE A 701 -6.873 -12.500 -28.463 1.00 0.00 C ATOM 822 CG PHE A 701 -6.155 -13.756 -27.970 1.00 0.00 C ATOM 823 CD1 PHE A 701 -5.527 -14.613 -28.876 1.00 0.00 C ATOM 824 CD2 PHE A 701 -6.115 -14.086 -26.619 1.00 0.00 C ATOM 825 CE1 PHE A 701 -4.884 -15.748 -28.449 1.00 0.00 C ATOM 826 CE2 PHE A 701 -5.468 -15.231 -26.192 1.00 0.00 C ATOM 827 CZ PHE A 701 -4.855 -16.059 -27.105 1.00 0.00 C ATOM 0 H PHE A 701 -4.021 -12.059 -28.807 1.00 0.00 H new ATOM 0 HA PHE A 701 -6.518 -10.609 -29.412 1.00 0.00 H new ATOM 0 HB2 PHE A 701 -7.609 -12.206 -27.715 1.00 0.00 H new ATOM 0 HB3 PHE A 701 -7.423 -12.750 -29.371 1.00 0.00 H new ATOM 0 HD1 PHE A 701 -5.548 -14.379 -29.930 1.00 0.00 H new ATOM 0 HD2 PHE A 701 -6.594 -13.442 -25.897 1.00 0.00 H new ATOM 0 HE1 PHE A 701 -4.401 -16.397 -29.164 1.00 0.00 H new ATOM 0 HE2 PHE A 701 -5.444 -15.476 -25.140 1.00 0.00 H new ATOM 0 HZ PHE A 701 -4.351 -16.953 -26.769 1.00 0.00 H new ATOM 837 N TYR A 702 -6.179 -9.327 -27.345 1.00 0.00 N ATOM 838 CA TYR A 702 -5.964 -8.438 -26.205 1.00 0.00 C ATOM 839 C TYR A 702 -7.313 -7.857 -25.752 1.00 0.00 C ATOM 840 O TYR A 702 -8.295 -7.864 -26.501 1.00 0.00 O ATOM 841 CB TYR A 702 -4.978 -7.289 -26.573 1.00 0.00 C ATOM 842 CG TYR A 702 -3.625 -7.752 -27.148 1.00 0.00 C ATOM 843 CD1 TYR A 702 -2.694 -8.419 -26.351 1.00 0.00 C ATOM 844 CD2 TYR A 702 -3.283 -7.521 -28.485 1.00 0.00 C ATOM 845 CE1 TYR A 702 -1.479 -8.837 -26.865 1.00 0.00 C ATOM 846 CE2 TYR A 702 -2.068 -7.940 -29.000 1.00 0.00 C ATOM 847 CZ TYR A 702 -1.169 -8.594 -28.184 1.00 0.00 C ATOM 848 OH TYR A 702 0.048 -9.006 -28.691 1.00 0.00 O ATOM 0 H TYR A 702 -6.818 -8.942 -28.040 1.00 0.00 H new ATOM 0 HA TYR A 702 -5.521 -9.011 -25.390 1.00 0.00 H new ATOM 0 HB2 TYR A 702 -5.460 -6.635 -27.300 1.00 0.00 H new ATOM 0 HB3 TYR A 702 -4.791 -6.691 -25.681 1.00 0.00 H new ATOM 0 HD1 TYR A 702 -2.926 -8.613 -25.314 1.00 0.00 H new ATOM 0 HD2 TYR A 702 -3.981 -7.005 -29.128 1.00 0.00 H new ATOM 0 HE1 TYR A 702 -0.774 -9.354 -26.231 1.00 0.00 H new ATOM 0 HE2 TYR A 702 -1.825 -7.755 -30.036 1.00 0.00 H new ATOM 0 HH TYR A 702 0.109 -8.759 -29.637 1.00 0.00 H new ATOM 858 N CYS A 703 -7.345 -7.377 -24.505 1.00 0.00 N ATOM 859 CA CYS A 703 -8.516 -6.688 -23.929 1.00 0.00 C ATOM 860 C CYS A 703 -8.575 -5.243 -24.473 1.00 0.00 C ATOM 861 O CYS A 703 -7.513 -4.656 -24.740 1.00 0.00 O ATOM 862 CB CYS A 703 -8.427 -6.694 -22.386 1.00 0.00 C ATOM 863 SG CYS A 703 -7.286 -5.471 -21.677 1.00 0.00 S ATOM 0 H CYS A 703 -6.559 -7.453 -23.860 1.00 0.00 H new ATOM 0 HA CYS A 703 -9.429 -7.210 -24.216 1.00 0.00 H new ATOM 0 HB2 CYS A 703 -9.423 -6.518 -21.979 1.00 0.00 H new ATOM 0 HB3 CYS A 703 -8.120 -7.687 -22.059 1.00 0.00 H new ATOM 868 N PRO A 704 -9.797 -4.626 -24.603 1.00 0.00 N ATOM 869 CA PRO A 704 -9.984 -3.333 -25.318 1.00 0.00 C ATOM 870 C PRO A 704 -9.211 -2.159 -24.678 1.00 0.00 C ATOM 871 O PRO A 704 -8.736 -1.277 -25.391 1.00 0.00 O ATOM 872 CB PRO A 704 -11.521 -3.110 -25.258 1.00 0.00 C ATOM 873 CG PRO A 704 -11.968 -3.899 -24.069 1.00 0.00 C ATOM 874 CD PRO A 704 -11.091 -5.121 -24.051 1.00 0.00 C ATOM 0 HA PRO A 704 -9.589 -3.372 -26.333 1.00 0.00 H new ATOM 0 HB2 PRO A 704 -11.765 -2.053 -25.148 1.00 0.00 H new ATOM 0 HB3 PRO A 704 -12.008 -3.456 -26.170 1.00 0.00 H new ATOM 0 HG2 PRO A 704 -11.858 -3.322 -23.150 1.00 0.00 H new ATOM 0 HG3 PRO A 704 -13.020 -4.171 -24.151 1.00 0.00 H new ATOM 0 HD2 PRO A 704 -10.973 -5.516 -23.042 1.00 0.00 H new ATOM 0 HD3 PRO A 704 -11.507 -5.923 -24.660 1.00 0.00 H new ATOM 882 N HIS A 705 -9.048 -2.195 -23.334 1.00 0.00 N ATOM 883 CA HIS A 705 -8.327 -1.140 -22.576 1.00 0.00 C ATOM 884 C HIS A 705 -6.862 -1.015 -23.052 1.00 0.00 C ATOM 885 O HIS A 705 -6.313 0.083 -23.085 1.00 0.00 O ATOM 886 CB HIS A 705 -8.391 -1.415 -21.048 1.00 0.00 C ATOM 887 CG HIS A 705 -7.792 -0.318 -20.180 1.00 0.00 C ATOM 888 ND1 HIS A 705 -8.315 0.959 -20.122 1.00 0.00 N ATOM 889 CD2 HIS A 705 -6.711 -0.307 -19.359 1.00 0.00 C ATOM 890 CE1 HIS A 705 -7.585 1.705 -19.312 1.00 0.00 C ATOM 891 NE2 HIS A 705 -6.605 0.961 -18.836 1.00 0.00 N ATOM 0 H HIS A 705 -9.408 -2.948 -22.748 1.00 0.00 H new ATOM 0 HA HIS A 705 -8.824 -0.190 -22.771 1.00 0.00 H new ATOM 0 HB2 HIS A 705 -9.433 -1.558 -20.762 1.00 0.00 H new ATOM 0 HB3 HIS A 705 -7.871 -2.350 -20.839 1.00 0.00 H new ATOM 0 HD2 HIS A 705 -6.055 -1.140 -19.154 1.00 0.00 H new ATOM 0 HE1 HIS A 705 -7.760 2.745 -19.080 1.00 0.00 H new ATOM 0 HE2 HIS A 705 -5.885 1.275 -18.185 1.00 0.00 H new ATOM 900 N CYS A 706 -6.255 -2.157 -23.447 1.00 0.00 N ATOM 901 CA CYS A 706 -4.884 -2.187 -24.013 1.00 0.00 C ATOM 902 C CYS A 706 -4.830 -1.526 -25.395 1.00 0.00 C ATOM 903 O CYS A 706 -3.896 -0.777 -25.680 1.00 0.00 O ATOM 904 CB CYS A 706 -4.331 -3.626 -24.078 1.00 0.00 C ATOM 905 SG CYS A 706 -3.765 -4.270 -22.474 1.00 0.00 S ATOM 0 H CYS A 706 -6.695 -3.075 -23.384 1.00 0.00 H new ATOM 0 HA CYS A 706 -4.249 -1.611 -23.340 1.00 0.00 H new ATOM 0 HB2 CYS A 706 -5.105 -4.285 -24.470 1.00 0.00 H new ATOM 0 HB3 CYS A 706 -3.501 -3.654 -24.784 1.00 0.00 H new ATOM 910 N LEU A 707 -5.840 -1.794 -26.247 1.00 0.00 N ATOM 911 CA LEU A 707 -5.909 -1.202 -27.605 1.00 0.00 C ATOM 912 C LEU A 707 -6.056 0.326 -27.514 1.00 0.00 C ATOM 913 O LEU A 707 -5.416 1.063 -28.262 1.00 0.00 O ATOM 914 CB LEU A 707 -7.075 -1.801 -28.452 1.00 0.00 C ATOM 915 CG LEU A 707 -6.843 -3.226 -29.057 1.00 0.00 C ATOM 916 CD1 LEU A 707 -6.739 -4.314 -27.970 1.00 0.00 C ATOM 917 CD2 LEU A 707 -7.942 -3.574 -30.092 1.00 0.00 C ATOM 0 H LEU A 707 -6.618 -2.414 -26.023 1.00 0.00 H new ATOM 0 HA LEU A 707 -4.976 -1.449 -28.111 1.00 0.00 H new ATOM 0 HB2 LEU A 707 -7.967 -1.838 -27.826 1.00 0.00 H new ATOM 0 HB3 LEU A 707 -7.289 -1.114 -29.271 1.00 0.00 H new ATOM 0 HG LEU A 707 -5.883 -3.202 -29.572 1.00 0.00 H new ATOM 0 HD11 LEU A 707 -6.578 -5.284 -28.440 1.00 0.00 H new ATOM 0 HD12 LEU A 707 -5.903 -4.089 -27.308 1.00 0.00 H new ATOM 0 HD13 LEU A 707 -7.662 -4.340 -27.392 1.00 0.00 H new ATOM 0 HD21 LEU A 707 -7.758 -4.569 -30.498 1.00 0.00 H new ATOM 0 HD22 LEU A 707 -8.918 -3.555 -29.607 1.00 0.00 H new ATOM 0 HD23 LEU A 707 -7.924 -2.844 -30.901 1.00 0.00 H new ATOM 929 N VAL A 708 -6.889 0.778 -26.563 1.00 0.00 N ATOM 930 CA VAL A 708 -7.165 2.209 -26.340 1.00 0.00 C ATOM 931 C VAL A 708 -5.973 2.893 -25.622 1.00 0.00 C ATOM 932 O VAL A 708 -5.760 4.100 -25.764 1.00 0.00 O ATOM 933 CB VAL A 708 -8.513 2.410 -25.541 1.00 0.00 C ATOM 934 CG1 VAL A 708 -8.869 3.909 -25.372 1.00 0.00 C ATOM 935 CG2 VAL A 708 -9.678 1.650 -26.226 1.00 0.00 C ATOM 0 H VAL A 708 -7.392 0.161 -25.925 1.00 0.00 H new ATOM 0 HA VAL A 708 -7.287 2.687 -27.312 1.00 0.00 H new ATOM 0 HB VAL A 708 -8.361 1.994 -24.545 1.00 0.00 H new ATOM 0 HG11 VAL A 708 -9.803 4.001 -24.817 1.00 0.00 H new ATOM 0 HG12 VAL A 708 -8.071 4.413 -24.826 1.00 0.00 H new ATOM 0 HG13 VAL A 708 -8.984 4.369 -26.354 1.00 0.00 H new ATOM 0 HG21 VAL A 708 -10.596 1.803 -25.658 1.00 0.00 H new ATOM 0 HG22 VAL A 708 -9.812 2.027 -27.240 1.00 0.00 H new ATOM 0 HG23 VAL A 708 -9.447 0.585 -26.262 1.00 0.00 H new ATOM 945 N ALA A 709 -5.183 2.111 -24.865 1.00 0.00 N ATOM 946 CA ALA A 709 -3.947 2.611 -24.222 1.00 0.00 C ATOM 947 C ALA A 709 -2.829 2.804 -25.267 1.00 0.00 C ATOM 948 O ALA A 709 -2.052 3.766 -25.189 1.00 0.00 O ATOM 949 CB ALA A 709 -3.489 1.656 -23.105 1.00 0.00 C ATOM 0 H ALA A 709 -5.376 1.127 -24.681 1.00 0.00 H new ATOM 0 HA ALA A 709 -4.165 3.580 -23.773 1.00 0.00 H new ATOM 0 HB1 ALA A 709 -2.579 2.043 -22.646 1.00 0.00 H new ATOM 0 HB2 ALA A 709 -4.271 1.578 -22.350 1.00 0.00 H new ATOM 0 HB3 ALA A 709 -3.292 0.671 -23.527 1.00 0.00 H new ATOM 955 N MET A 710 -2.772 1.883 -26.243 1.00 0.00 N ATOM 956 CA MET A 710 -1.771 1.910 -27.321 1.00 0.00 C ATOM 957 C MET A 710 -2.190 2.930 -28.406 1.00 0.00 C ATOM 958 O MET A 710 -1.693 4.064 -28.409 1.00 0.00 O ATOM 959 CB MET A 710 -1.584 0.473 -27.910 1.00 0.00 C ATOM 960 CG MET A 710 -0.983 -0.549 -26.923 1.00 0.00 C ATOM 961 SD MET A 710 -1.059 -2.262 -27.520 1.00 0.00 S ATOM 962 CE MET A 710 -0.089 -2.193 -29.024 1.00 0.00 C ATOM 0 H MET A 710 -3.420 1.098 -26.306 1.00 0.00 H new ATOM 0 HA MET A 710 -0.809 2.231 -26.922 1.00 0.00 H new ATOM 0 HB2 MET A 710 -2.552 0.105 -28.250 1.00 0.00 H new ATOM 0 HB3 MET A 710 -0.940 0.534 -28.787 1.00 0.00 H new ATOM 0 HG2 MET A 710 0.057 -0.286 -26.728 1.00 0.00 H new ATOM 0 HG3 MET A 710 -1.513 -0.480 -25.973 1.00 0.00 H new ATOM 0 HE1 MET A 710 0.030 -3.199 -29.427 1.00 0.00 H new ATOM 0 HE2 MET A 710 -0.598 -1.566 -29.757 1.00 0.00 H new ATOM 0 HE3 MET A 710 0.892 -1.772 -28.805 1.00 0.00 H new ATOM 972 N GLU A 711 -3.167 2.529 -29.260 1.00 0.00 N ATOM 973 CA GLU A 711 -3.722 3.338 -30.381 1.00 0.00 C ATOM 974 C GLU A 711 -2.662 3.828 -31.415 1.00 0.00 C ATOM 975 O GLU A 711 -1.497 4.062 -31.080 1.00 0.00 O ATOM 976 CB GLU A 711 -4.584 4.539 -29.870 1.00 0.00 C ATOM 977 CG GLU A 711 -5.938 4.127 -29.269 1.00 0.00 C ATOM 978 CD GLU A 711 -6.819 5.322 -28.846 1.00 0.00 C ATOM 979 OE1 GLU A 711 -6.450 6.033 -27.884 1.00 0.00 O ATOM 980 OE2 GLU A 711 -7.877 5.566 -29.476 1.00 0.00 O ATOM 0 H GLU A 711 -3.603 1.610 -29.187 1.00 0.00 H new ATOM 0 HA GLU A 711 -4.368 2.643 -30.918 1.00 0.00 H new ATOM 0 HB2 GLU A 711 -4.016 5.086 -29.118 1.00 0.00 H new ATOM 0 HB3 GLU A 711 -4.760 5.225 -30.699 1.00 0.00 H new ATOM 0 HG2 GLU A 711 -6.482 3.527 -29.998 1.00 0.00 H new ATOM 0 HG3 GLU A 711 -5.762 3.492 -28.401 1.00 0.00 H new ATOM 987 N PRO A 712 -3.061 3.964 -32.721 1.00 0.00 N ATOM 988 CA PRO A 712 -2.251 4.696 -33.726 1.00 0.00 C ATOM 989 C PRO A 712 -2.354 6.223 -33.512 1.00 0.00 C ATOM 990 O PRO A 712 -3.370 6.717 -32.994 1.00 0.00 O ATOM 991 CB PRO A 712 -2.895 4.268 -35.069 1.00 0.00 C ATOM 992 CG PRO A 712 -4.328 3.997 -34.719 1.00 0.00 C ATOM 993 CD PRO A 712 -4.303 3.391 -33.335 1.00 0.00 C ATOM 0 HA PRO A 712 -1.186 4.470 -33.673 1.00 0.00 H new ATOM 0 HB2 PRO A 712 -2.810 5.054 -35.820 1.00 0.00 H new ATOM 0 HB3 PRO A 712 -2.410 3.382 -35.479 1.00 0.00 H new ATOM 0 HG2 PRO A 712 -4.915 4.915 -34.734 1.00 0.00 H new ATOM 0 HG3 PRO A 712 -4.784 3.315 -35.437 1.00 0.00 H new ATOM 0 HD2 PRO A 712 -5.192 3.658 -32.764 1.00 0.00 H new ATOM 0 HD3 PRO A 712 -4.265 2.302 -33.375 1.00 0.00 H new ATOM 1001 N VAL A 713 -1.299 6.961 -33.890 1.00 0.00 N ATOM 1002 CA VAL A 713 -1.301 8.435 -33.852 1.00 0.00 C ATOM 1003 C VAL A 713 -2.127 8.976 -35.045 1.00 0.00 C ATOM 1004 O VAL A 713 -1.606 9.293 -36.120 1.00 0.00 O ATOM 1005 CB VAL A 713 0.172 9.034 -33.780 1.00 0.00 C ATOM 1006 CG1 VAL A 713 0.831 8.684 -32.419 1.00 0.00 C ATOM 1007 CG2 VAL A 713 1.067 8.547 -34.950 1.00 0.00 C ATOM 0 H VAL A 713 -0.425 6.558 -34.229 1.00 0.00 H new ATOM 0 HA VAL A 713 -1.782 8.770 -32.933 1.00 0.00 H new ATOM 0 HB VAL A 713 0.082 10.116 -33.872 1.00 0.00 H new ATOM 0 HG11 VAL A 713 1.838 9.100 -32.385 1.00 0.00 H new ATOM 0 HG12 VAL A 713 0.236 9.105 -31.608 1.00 0.00 H new ATOM 0 HG13 VAL A 713 0.882 7.601 -32.307 1.00 0.00 H new ATOM 0 HG21 VAL A 713 2.061 8.984 -34.854 1.00 0.00 H new ATOM 0 HG22 VAL A 713 1.144 7.460 -34.921 1.00 0.00 H new ATOM 0 HG23 VAL A 713 0.625 8.854 -35.898 1.00 0.00 H new ATOM 1017 N SER A 714 -3.458 9.007 -34.849 1.00 0.00 N ATOM 1018 CA SER A 714 -4.434 9.290 -35.907 1.00 0.00 C ATOM 1019 C SER A 714 -5.224 10.564 -35.551 1.00 0.00 C ATOM 1020 O SER A 714 -6.176 10.520 -34.760 1.00 0.00 O ATOM 1021 CB SER A 714 -5.361 8.057 -36.081 1.00 0.00 C ATOM 1022 OG SER A 714 -6.161 8.160 -37.248 1.00 0.00 O ATOM 0 H SER A 714 -3.887 8.834 -33.940 1.00 0.00 H new ATOM 0 HA SER A 714 -3.931 9.471 -36.857 1.00 0.00 H new ATOM 0 HB2 SER A 714 -4.756 7.152 -36.134 1.00 0.00 H new ATOM 0 HB3 SER A 714 -6.004 7.960 -35.207 1.00 0.00 H new ATOM 0 HG SER A 714 -5.950 8.994 -37.717 1.00 0.00 H new ATOM 1028 N THR A 715 -4.777 11.708 -36.090 1.00 0.00 N ATOM 1029 CA THR A 715 -5.401 13.016 -35.835 1.00 0.00 C ATOM 1030 C THR A 715 -6.677 13.179 -36.680 1.00 0.00 C ATOM 1031 O THR A 715 -6.651 13.025 -37.909 1.00 0.00 O ATOM 1032 CB THR A 715 -4.393 14.174 -36.108 1.00 0.00 C ATOM 1033 OG1 THR A 715 -3.199 13.963 -35.324 1.00 0.00 O ATOM 1034 CG2 THR A 715 -4.985 15.561 -35.780 1.00 0.00 C ATOM 0 H THR A 715 -3.972 11.753 -36.715 1.00 0.00 H new ATOM 0 HA THR A 715 -5.684 13.063 -34.783 1.00 0.00 H new ATOM 0 HB THR A 715 -4.161 14.163 -37.173 1.00 0.00 H new ATOM 0 HG1 THR A 715 -2.563 14.689 -35.495 1.00 0.00 H new ATOM 0 HG21 THR A 715 -4.243 16.332 -35.988 1.00 0.00 H new ATOM 0 HG22 THR A 715 -5.869 15.734 -36.394 1.00 0.00 H new ATOM 0 HG23 THR A 715 -5.262 15.598 -34.726 1.00 0.00 H new ATOM 1042 N ARG A 716 -7.795 13.464 -35.991 1.00 0.00 N ATOM 1043 CA ARG A 716 -9.129 13.530 -36.594 1.00 0.00 C ATOM 1044 C ARG A 716 -9.696 14.963 -36.472 1.00 0.00 C ATOM 1045 O ARG A 716 -9.603 15.737 -37.450 1.00 0.00 O ATOM 1046 CB ARG A 716 -10.044 12.478 -35.909 1.00 0.00 C ATOM 1047 CG ARG A 716 -9.521 11.034 -36.031 1.00 0.00 C ATOM 1048 CD ARG A 716 -9.524 10.510 -37.475 1.00 0.00 C ATOM 1049 NE ARG A 716 -8.895 9.179 -37.564 1.00 0.00 N ATOM 1050 CZ ARG A 716 -9.522 8.002 -37.386 1.00 0.00 C ATOM 1051 NH1 ARG A 716 -10.825 7.951 -37.100 1.00 0.00 N ATOM 1052 NH2 ARG A 716 -8.828 6.879 -37.480 1.00 0.00 N ATOM 1053 OXT ARG A 716 -10.196 15.331 -35.381 1.00 0.00 O ATOM 0 H ARG A 716 -7.793 13.656 -34.989 1.00 0.00 H new ATOM 0 HA ARG A 716 -9.077 13.296 -37.657 1.00 0.00 H new ATOM 0 HB2 ARG A 716 -10.147 12.730 -34.854 1.00 0.00 H new ATOM 0 HB3 ARG A 716 -11.040 12.533 -36.349 1.00 0.00 H new ATOM 0 HG2 ARG A 716 -8.506 10.987 -35.636 1.00 0.00 H new ATOM 0 HG3 ARG A 716 -10.134 10.379 -35.412 1.00 0.00 H new ATOM 0 HD2 ARG A 716 -10.549 10.455 -37.842 1.00 0.00 H new ATOM 0 HD3 ARG A 716 -8.992 11.210 -38.119 1.00 0.00 H new ATOM 0 HE ARG A 716 -7.898 9.148 -37.779 1.00 0.00 H new ATOM 0 HH11 ARG A 716 -11.362 8.814 -37.013 1.00 0.00 H new ATOM 0 HH12 ARG A 716 -11.283 7.049 -36.968 1.00 0.00 H new ATOM 0 HH21 ARG A 716 -7.829 6.912 -37.685 1.00 0.00 H new ATOM 0 HH22 ARG A 716 -9.292 5.980 -37.347 1.00 0.00 H new TER 1067 ARG A 716 HETATM 1068 ZN ZN A 801 -17.944 -11.189 -21.319 1.00 0.00 ZN HETATM 1069 ZN ZN A 802 -5.008 -6.017 -21.559 1.00 0.00 ZN