USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 304 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 699 HIS HE2 : A 699 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 703 HIS HE2 : A 703 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 679 LYS NZ :NH3+ -134:sc= 0.011 (180deg=0) USER MOD Set 1.2: A 684 ASN : amide:sc= -0.162 K(o=-0.15,f=-1.5) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : A 671 SER OG : rot 180:sc= -0.155 USER MOD Single : A 673 SER OG : rot 180:sc= 0.103 USER MOD Single : A 674 SER OG : rot 18:sc= 0.414 USER MOD Single : A 676 THR OG1 : rot 180:sc= 0 USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 682 GLN :FLIP amide:sc= -0.795 F(o=-2!,f=-0.79) USER MOD Single : A 688 LYS NZ :NH3+ 152:sc= -0.237 (180deg=-1.2) USER MOD Single : A 691 SER OG : rot 180:sc= 0.00519 USER MOD Single : A 692 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 693 THR OG1 : rot 180:sc= 0.003 USER MOD Single : A 694 SER OG : rot 180:sc= 0 USER MOD Single : A 695 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 GLN : amide:sc= -0.0594 K(o=-0.059,f=-1.7!) USER MOD Single : A 704 THR OG1 : rot 180:sc= -0.0246 USER MOD Single : A 707 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 709 SER OG : rot 180:sc= 0 USER MOD Single : A 712 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 713 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 669 -15.837 28.542 10.677 1.00 0.00 N ATOM 2 CA GLY A 669 -14.879 28.915 11.702 1.00 0.00 C ATOM 3 C GLY A 669 -13.701 27.963 11.769 1.00 0.00 C ATOM 4 O GLY A 669 -12.548 28.388 11.711 1.00 0.00 O ATOM 0 HA2 GLY A 669 -14.516 29.924 11.506 1.00 0.00 H new ATOM 0 HA3 GLY A 669 -15.379 28.939 12.670 1.00 0.00 H new ATOM 8 N SER A 670 -13.992 26.672 11.893 1.00 0.00 N ATOM 9 CA SER A 670 -12.947 25.658 11.973 1.00 0.00 C ATOM 10 C SER A 670 -12.489 25.238 10.580 1.00 0.00 C ATOM 11 O SER A 670 -13.152 25.525 9.584 1.00 0.00 O ATOM 12 CB SER A 670 -13.450 24.438 12.747 1.00 0.00 C ATOM 13 OG SER A 670 -12.372 23.715 13.316 1.00 0.00 O ATOM 0 H SER A 670 -14.942 26.304 11.940 1.00 0.00 H new ATOM 0 HA SER A 670 -12.096 26.089 12.501 1.00 0.00 H new ATOM 0 HB2 SER A 670 -14.132 24.759 13.534 1.00 0.00 H new ATOM 0 HB3 SER A 670 -14.016 23.788 12.080 1.00 0.00 H new ATOM 0 HG SER A 670 -12.720 22.941 13.807 1.00 0.00 H new ATOM 19 N SER A 671 -11.349 24.557 10.519 1.00 0.00 N ATOM 20 CA SER A 671 -10.799 24.100 9.248 1.00 0.00 C ATOM 21 C SER A 671 -11.600 22.923 8.701 1.00 0.00 C ATOM 22 O SER A 671 -12.302 22.237 9.443 1.00 0.00 O ATOM 23 CB SER A 671 -9.332 23.698 9.418 1.00 0.00 C ATOM 24 OG SER A 671 -8.899 22.881 8.344 1.00 0.00 O ATOM 0 H SER A 671 -10.789 24.310 11.335 1.00 0.00 H new ATOM 0 HA SER A 671 -10.863 24.923 8.536 1.00 0.00 H new ATOM 0 HB2 SER A 671 -8.711 24.592 9.472 1.00 0.00 H new ATOM 0 HB3 SER A 671 -9.205 23.164 10.360 1.00 0.00 H new ATOM 0 HG SER A 671 -7.958 22.639 8.475 1.00 0.00 H new ATOM 30 N GLY A 672 -11.489 22.695 7.396 1.00 0.00 N ATOM 31 CA GLY A 672 -12.209 21.601 6.770 1.00 0.00 C ATOM 32 C GLY A 672 -11.344 20.818 5.802 1.00 0.00 C ATOM 33 O GLY A 672 -10.952 21.331 4.754 1.00 0.00 O ATOM 0 H GLY A 672 -10.913 23.248 6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 672 -12.586 20.929 7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 672 -13.076 21.996 6.240 1.00 0.00 H new ATOM 37 N SER A 673 -11.045 19.571 6.154 1.00 0.00 N ATOM 38 CA SER A 673 -10.217 18.717 5.311 1.00 0.00 C ATOM 39 C SER A 673 -10.895 17.372 5.069 1.00 0.00 C ATOM 40 O SER A 673 -12.034 17.154 5.482 1.00 0.00 O ATOM 41 CB SER A 673 -8.847 18.501 5.958 1.00 0.00 C ATOM 42 OG SER A 673 -7.889 18.089 4.998 1.00 0.00 O ATOM 0 H SER A 673 -11.364 19.130 7.017 1.00 0.00 H new ATOM 0 HA SER A 673 -10.083 19.215 4.351 1.00 0.00 H new ATOM 0 HB2 SER A 673 -8.516 19.424 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 673 -8.927 17.749 6.743 1.00 0.00 H new ATOM 0 HG SER A 673 -7.022 17.959 5.436 1.00 0.00 H new ATOM 48 N SER A 674 -10.185 16.472 4.395 1.00 0.00 N ATOM 49 CA SER A 674 -10.719 15.149 4.093 1.00 0.00 C ATOM 50 C SER A 674 -9.602 14.110 4.049 1.00 0.00 C ATOM 51 O SER A 674 -8.625 14.263 3.317 1.00 0.00 O ATOM 52 CB SER A 674 -11.465 15.169 2.757 1.00 0.00 C ATOM 53 OG SER A 674 -10.566 15.335 1.674 1.00 0.00 O ATOM 0 H SER A 674 -9.240 16.635 4.048 1.00 0.00 H new ATOM 0 HA SER A 674 -11.416 14.876 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 674 -12.021 14.240 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 674 -12.194 15.979 2.756 1.00 0.00 H new ATOM 0 HG SER A 674 -9.657 15.112 1.966 1.00 0.00 H new ATOM 59 N GLY A 675 -9.755 13.052 4.839 1.00 0.00 N ATOM 60 CA GLY A 675 -8.753 12.003 4.877 1.00 0.00 C ATOM 61 C GLY A 675 -7.821 12.133 6.065 1.00 0.00 C ATOM 62 O GLY A 675 -6.906 12.957 6.059 1.00 0.00 O ATOM 0 H GLY A 675 -10.555 12.903 5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 675 -9.249 11.033 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 675 -8.169 12.029 3.957 1.00 0.00 H new ATOM 66 N THR A 676 -8.053 11.318 7.090 1.00 0.00 N ATOM 67 CA THR A 676 -7.230 11.348 8.292 1.00 0.00 C ATOM 68 C THR A 676 -6.272 10.163 8.331 1.00 0.00 C ATOM 69 O THR A 676 -6.022 9.589 9.390 1.00 0.00 O ATOM 70 CB THR A 676 -8.095 11.337 9.566 1.00 0.00 C ATOM 71 OG1 THR A 676 -9.060 10.281 9.494 1.00 0.00 O ATOM 72 CG2 THR A 676 -8.805 12.669 9.749 1.00 0.00 C ATOM 0 H THR A 676 -8.805 10.629 7.111 1.00 0.00 H new ATOM 0 HA THR A 676 -6.657 12.275 8.260 1.00 0.00 H new ATOM 0 HB THR A 676 -7.441 11.172 10.422 1.00 0.00 H new ATOM 0 HG1 THR A 676 -9.605 10.280 10.309 1.00 0.00 H new ATOM 0 HG21 THR A 676 -9.410 12.637 10.655 1.00 0.00 H new ATOM 0 HG22 THR A 676 -8.067 13.466 9.833 1.00 0.00 H new ATOM 0 HG23 THR A 676 -9.448 12.859 8.890 1.00 0.00 H new ATOM 80 N GLY A 677 -5.736 9.801 7.168 1.00 0.00 N ATOM 81 CA GLY A 677 -4.811 8.686 7.093 1.00 0.00 C ATOM 82 C GLY A 677 -4.514 8.275 5.664 1.00 0.00 C ATOM 83 O GLY A 677 -5.100 7.324 5.150 1.00 0.00 O ATOM 0 H GLY A 677 -5.926 10.260 6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 677 -3.880 8.956 7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 677 -5.227 7.836 7.634 1.00 0.00 H new ATOM 87 N GLY A 678 -3.600 8.996 5.020 1.00 0.00 N ATOM 88 CA GLY A 678 -3.244 8.686 3.648 1.00 0.00 C ATOM 89 C GLY A 678 -1.979 7.856 3.550 1.00 0.00 C ATOM 90 O GLY A 678 -0.875 8.371 3.723 1.00 0.00 O ATOM 0 H GLY A 678 -3.101 9.788 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -4.066 8.147 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -3.110 9.614 3.092 1.00 0.00 H new ATOM 94 N LYS A 679 -2.140 6.566 3.275 1.00 0.00 N ATOM 95 CA LYS A 679 -1.003 5.662 3.155 1.00 0.00 C ATOM 96 C LYS A 679 -1.458 4.268 2.736 1.00 0.00 C ATOM 97 O LYS A 679 -1.391 3.309 3.506 1.00 0.00 O ATOM 98 CB LYS A 679 -0.244 5.585 4.482 1.00 0.00 C ATOM 99 CG LYS A 679 -1.141 5.337 5.682 1.00 0.00 C ATOM 100 CD LYS A 679 -0.331 5.136 6.952 1.00 0.00 C ATOM 101 CE LYS A 679 0.254 6.447 7.453 1.00 0.00 C ATOM 102 NZ LYS A 679 1.318 6.227 8.472 1.00 0.00 N ATOM 0 H LYS A 679 -3.048 6.123 3.131 1.00 0.00 H new ATOM 0 HA LYS A 679 -0.338 6.055 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 679 0.497 4.788 4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 679 0.302 6.516 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -1.819 6.181 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -1.758 4.457 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -0.965 4.701 7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 679 0.474 4.426 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 679 0.666 7.005 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -0.540 7.058 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 1.168 6.870 9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 1.281 5.242 8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 2.249 6.415 8.048 1.00 0.00 H new ATOM 116 N PRO A 680 -1.932 4.149 1.487 1.00 0.00 N ATOM 117 CA PRO A 680 -2.406 2.876 0.937 1.00 0.00 C ATOM 118 C PRO A 680 -1.269 1.886 0.705 1.00 0.00 C ATOM 119 O PRO A 680 -1.355 0.723 1.101 1.00 0.00 O ATOM 120 CB PRO A 680 -3.044 3.279 -0.394 1.00 0.00 C ATOM 121 CG PRO A 680 -2.356 4.544 -0.776 1.00 0.00 C ATOM 122 CD PRO A 680 -2.041 5.250 0.514 1.00 0.00 C ATOM 0 HA PRO A 680 -3.091 2.369 1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 680 -2.902 2.507 -1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 680 -4.118 3.429 -0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -1.447 4.338 -1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 680 -2.994 5.158 -1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.114 5.819 0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -2.827 5.954 0.789 1.00 0.00 H new ATOM 130 N TYR A 681 -0.205 2.354 0.062 1.00 0.00 N ATOM 131 CA TYR A 681 0.948 1.509 -0.225 1.00 0.00 C ATOM 132 C TYR A 681 2.128 1.876 0.670 1.00 0.00 C ATOM 133 O TYR A 681 2.981 1.040 0.963 1.00 0.00 O ATOM 134 CB TYR A 681 1.349 1.639 -1.695 1.00 0.00 C ATOM 135 CG TYR A 681 1.654 3.059 -2.116 1.00 0.00 C ATOM 136 CD1 TYR A 681 2.880 3.643 -1.823 1.00 0.00 C ATOM 137 CD2 TYR A 681 0.716 3.817 -2.806 1.00 0.00 C ATOM 138 CE1 TYR A 681 3.163 4.940 -2.206 1.00 0.00 C ATOM 139 CE2 TYR A 681 0.991 5.114 -3.194 1.00 0.00 C ATOM 140 CZ TYR A 681 2.215 5.671 -2.891 1.00 0.00 C ATOM 141 OH TYR A 681 2.492 6.963 -3.274 1.00 0.00 O ATOM 0 H TYR A 681 -0.117 3.314 -0.270 1.00 0.00 H new ATOM 0 HA TYR A 681 0.668 0.475 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 681 2.225 1.018 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 681 0.544 1.249 -2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 681 3.625 3.073 -1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 681 -0.245 3.385 -3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 681 4.121 5.379 -1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 681 0.251 5.688 -3.732 1.00 0.00 H new ATOM 0 HH TYR A 681 1.720 7.337 -3.747 1.00 0.00 H new ATOM 151 N GLN A 682 2.167 3.133 1.101 1.00 0.00 N ATOM 152 CA GLN A 682 3.242 3.612 1.962 1.00 0.00 C ATOM 153 C GLN A 682 3.414 2.702 3.175 1.00 0.00 C ATOM 154 O GLN A 682 2.468 2.470 3.929 1.00 0.00 O ATOM 155 CB GLN A 682 2.958 5.043 2.420 1.00 0.00 C ATOM 156 CG GLN A 682 3.945 5.558 3.455 1.00 0.00 C ATOM 157 CD GLN A 682 3.582 6.936 3.973 1.00 0.00 C ATOM 158 OE1 GLN A 682 3.644 7.933 3.099 1.00 0.00 O flip ATOM 159 NE2 GLN A 682 3.249 7.102 5.147 1.00 0.00 N flip ATOM 0 H GLN A 682 1.467 3.837 0.868 1.00 0.00 H new ATOM 0 HA GLN A 682 4.168 3.599 1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 682 2.976 5.703 1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 682 1.951 5.090 2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 682 3.987 4.859 4.291 1.00 0.00 H new ATOM 0 HG3 GLN A 682 4.942 5.590 3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 682 3.215 6.307 5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 682 3.007 8.035 5.482 1.00 0.00 H new ATOM 168 N CYS A 683 4.626 2.189 3.356 1.00 0.00 N ATOM 169 CA CYS A 683 4.923 1.304 4.476 1.00 0.00 C ATOM 170 C CYS A 683 4.484 1.931 5.796 1.00 0.00 C ATOM 171 O CYS A 683 5.017 2.957 6.215 1.00 0.00 O ATOM 172 CB CYS A 683 6.419 0.988 4.521 1.00 0.00 C ATOM 173 SG CYS A 683 6.866 -0.326 5.700 1.00 0.00 S ATOM 0 H CYS A 683 5.419 2.371 2.741 1.00 0.00 H new ATOM 0 HA CYS A 683 4.367 0.377 4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 683 6.748 0.694 3.524 1.00 0.00 H new ATOM 0 HB3 CYS A 683 6.964 1.896 4.781 1.00 0.00 H new ATOM 178 N ASN A 684 3.508 1.306 6.446 1.00 0.00 N ATOM 179 CA ASN A 684 2.996 1.802 7.719 1.00 0.00 C ATOM 180 C ASN A 684 3.702 1.125 8.890 1.00 0.00 C ATOM 181 O ASN A 684 3.783 1.682 9.984 1.00 0.00 O ATOM 182 CB ASN A 684 1.487 1.568 7.812 1.00 0.00 C ATOM 183 CG ASN A 684 0.862 2.293 8.988 1.00 0.00 C ATOM 184 OD1 ASN A 684 1.521 3.077 9.670 1.00 0.00 O ATOM 185 ND2 ASN A 684 -0.418 2.032 9.230 1.00 0.00 N ATOM 0 H ASN A 684 3.055 0.455 6.112 1.00 0.00 H new ATOM 0 HA ASN A 684 3.193 2.873 7.770 1.00 0.00 H new ATOM 0 HB2 ASN A 684 1.013 1.902 6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 684 1.292 0.499 7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 684 -0.893 2.489 10.008 1.00 0.00 H new ATOM 0 HD22 ASN A 684 -0.925 1.374 8.638 1.00 0.00 H new ATOM 192 N GLU A 685 4.209 -0.080 8.651 1.00 0.00 N ATOM 193 CA GLU A 685 4.907 -0.833 9.686 1.00 0.00 C ATOM 194 C GLU A 685 6.003 0.012 10.329 1.00 0.00 C ATOM 195 O GLU A 685 6.143 0.043 11.552 1.00 0.00 O ATOM 196 CB GLU A 685 5.512 -2.111 9.099 1.00 0.00 C ATOM 197 CG GLU A 685 4.480 -3.176 8.769 1.00 0.00 C ATOM 198 CD GLU A 685 4.215 -4.112 9.932 1.00 0.00 C ATOM 199 OE1 GLU A 685 5.106 -4.929 10.250 1.00 0.00 O ATOM 200 OE2 GLU A 685 3.119 -4.029 10.524 1.00 0.00 O ATOM 0 H GLU A 685 4.150 -0.555 7.751 1.00 0.00 H new ATOM 0 HA GLU A 685 4.182 -1.102 10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 685 6.064 -1.859 8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 685 6.232 -2.521 9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 685 3.547 -2.694 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 685 4.823 -3.756 7.912 1.00 0.00 H new ATOM 207 N CYS A 686 6.779 0.697 9.495 1.00 0.00 N ATOM 208 CA CYS A 686 7.864 1.542 9.979 1.00 0.00 C ATOM 209 C CYS A 686 7.611 3.006 9.627 1.00 0.00 C ATOM 210 O CYS A 686 8.097 3.911 10.305 1.00 0.00 O ATOM 211 CB CYS A 686 9.198 1.086 9.386 1.00 0.00 C ATOM 212 SG CYS A 686 9.372 1.421 7.604 1.00 0.00 S ATOM 0 H CYS A 686 6.676 0.683 8.480 1.00 0.00 H new ATOM 0 HA CYS A 686 7.907 1.449 11.064 1.00 0.00 H new ATOM 0 HB2 CYS A 686 10.009 1.582 9.919 1.00 0.00 H new ATOM 0 HB3 CYS A 686 9.312 0.016 9.557 1.00 0.00 H new ATOM 217 N GLY A 687 6.847 3.229 8.562 1.00 0.00 N ATOM 218 CA GLY A 687 6.543 4.583 8.138 1.00 0.00 C ATOM 219 C GLY A 687 7.513 5.095 7.092 1.00 0.00 C ATOM 220 O GLY A 687 8.255 6.047 7.334 1.00 0.00 O ATOM 0 H GLY A 687 6.433 2.496 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 687 5.530 4.616 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 687 6.564 5.245 9.004 1.00 0.00 H new ATOM 224 N LYS A 688 7.510 4.461 5.924 1.00 0.00 N ATOM 225 CA LYS A 688 8.396 4.856 4.836 1.00 0.00 C ATOM 226 C LYS A 688 7.651 4.870 3.505 1.00 0.00 C ATOM 227 O LYS A 688 6.880 3.959 3.205 1.00 0.00 O ATOM 228 CB LYS A 688 9.592 3.904 4.753 1.00 0.00 C ATOM 229 CG LYS A 688 10.775 4.479 3.994 1.00 0.00 C ATOM 230 CD LYS A 688 12.071 3.782 4.373 1.00 0.00 C ATOM 231 CE LYS A 688 12.721 4.434 5.584 1.00 0.00 C ATOM 232 NZ LYS A 688 12.217 3.858 6.861 1.00 0.00 N ATOM 0 H LYS A 688 6.903 3.671 5.707 1.00 0.00 H new ATOM 0 HA LYS A 688 8.755 5.864 5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 688 9.910 3.645 5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 688 9.277 2.979 4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 688 10.606 4.377 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 688 10.859 5.545 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 688 11.872 2.732 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 688 12.761 3.810 3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 688 13.802 4.305 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 688 12.526 5.506 5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 12.951 3.942 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 11.366 4.374 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 11.982 2.855 6.720 1.00 0.00 H new ATOM 246 N ALA A 689 7.887 5.909 2.711 1.00 0.00 N ATOM 247 CA ALA A 689 7.240 6.039 1.411 1.00 0.00 C ATOM 248 C ALA A 689 8.270 6.085 0.288 1.00 0.00 C ATOM 249 O ALA A 689 9.316 6.722 0.417 1.00 0.00 O ATOM 250 CB ALA A 689 6.365 7.283 1.379 1.00 0.00 C ATOM 0 H ALA A 689 8.521 6.673 2.945 1.00 0.00 H new ATOM 0 HA ALA A 689 6.611 5.162 1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 689 5.888 7.367 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 689 5.600 7.209 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 689 6.980 8.165 1.560 1.00 0.00 H new ATOM 256 N PHE A 690 7.968 5.406 -0.814 1.00 0.00 N ATOM 257 CA PHE A 690 8.869 5.369 -1.960 1.00 0.00 C ATOM 258 C PHE A 690 8.228 6.028 -3.178 1.00 0.00 C ATOM 259 O PHE A 690 7.006 6.152 -3.259 1.00 0.00 O ATOM 260 CB PHE A 690 9.250 3.924 -2.289 1.00 0.00 C ATOM 261 CG PHE A 690 10.081 3.265 -1.225 1.00 0.00 C ATOM 262 CD1 PHE A 690 9.512 2.881 -0.022 1.00 0.00 C ATOM 263 CD2 PHE A 690 11.431 3.030 -1.429 1.00 0.00 C ATOM 264 CE1 PHE A 690 10.275 2.276 0.959 1.00 0.00 C ATOM 265 CE2 PHE A 690 12.199 2.425 -0.452 1.00 0.00 C ATOM 266 CZ PHE A 690 11.619 2.046 0.743 1.00 0.00 C ATOM 0 H PHE A 690 7.106 4.874 -0.937 1.00 0.00 H new ATOM 0 HA PHE A 690 9.770 5.925 -1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 690 8.341 3.343 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 690 9.799 3.907 -3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 690 8.461 3.056 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 690 11.889 3.323 -2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 690 9.820 1.983 1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 690 13.251 2.249 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 690 12.216 1.570 1.507 1.00 0.00 H new ATOM 276 N SER A 691 9.063 6.449 -4.123 1.00 0.00 N ATOM 277 CA SER A 691 8.579 7.100 -5.335 1.00 0.00 C ATOM 278 C SER A 691 7.684 6.159 -6.136 1.00 0.00 C ATOM 279 O SER A 691 6.677 6.580 -6.706 1.00 0.00 O ATOM 280 CB SER A 691 9.756 7.560 -6.197 1.00 0.00 C ATOM 281 OG SER A 691 10.734 6.541 -6.309 1.00 0.00 O ATOM 0 H SER A 691 10.077 6.351 -4.073 1.00 0.00 H new ATOM 0 HA SER A 691 7.992 7.970 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 691 9.398 7.836 -7.189 1.00 0.00 H new ATOM 0 HB3 SER A 691 10.204 8.452 -5.760 1.00 0.00 H new ATOM 0 HG SER A 691 11.475 6.859 -6.866 1.00 0.00 H new ATOM 287 N GLN A 692 8.059 4.885 -6.174 1.00 0.00 N ATOM 288 CA GLN A 692 7.292 3.885 -6.906 1.00 0.00 C ATOM 289 C GLN A 692 7.060 2.644 -6.051 1.00 0.00 C ATOM 290 O GLN A 692 7.872 2.311 -5.186 1.00 0.00 O ATOM 291 CB GLN A 692 8.015 3.500 -8.198 1.00 0.00 C ATOM 292 CG GLN A 692 8.335 4.687 -9.093 1.00 0.00 C ATOM 293 CD GLN A 692 9.252 4.321 -10.243 1.00 0.00 C ATOM 294 OE1 GLN A 692 10.450 4.107 -10.053 1.00 0.00 O ATOM 295 NE2 GLN A 692 8.693 4.245 -11.445 1.00 0.00 N ATOM 0 H GLN A 692 8.889 4.521 -5.706 1.00 0.00 H new ATOM 0 HA GLN A 692 6.324 4.319 -7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 692 8.942 2.985 -7.946 1.00 0.00 H new ATOM 0 HB3 GLN A 692 7.398 2.793 -8.753 1.00 0.00 H new ATOM 0 HG2 GLN A 692 7.407 5.098 -9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 692 8.802 5.471 -8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 692 7.696 4.430 -11.557 1.00 0.00 H new ATOM 0 HE22 GLN A 692 9.260 4.001 -12.257 1.00 0.00 H new ATOM 304 N THR A 693 5.946 1.961 -6.296 1.00 0.00 N ATOM 305 CA THR A 693 5.606 0.758 -5.548 1.00 0.00 C ATOM 306 C THR A 693 6.591 -0.368 -5.840 1.00 0.00 C ATOM 307 O THR A 693 6.780 -1.269 -5.022 1.00 0.00 O ATOM 308 CB THR A 693 4.180 0.275 -5.877 1.00 0.00 C ATOM 309 OG1 THR A 693 3.978 0.276 -7.295 1.00 0.00 O ATOM 310 CG2 THR A 693 3.141 1.164 -5.211 1.00 0.00 C ATOM 0 H THR A 693 5.263 2.221 -7.008 1.00 0.00 H new ATOM 0 HA THR A 693 5.659 1.019 -4.491 1.00 0.00 H new ATOM 0 HB THR A 693 4.066 -0.739 -5.495 1.00 0.00 H new ATOM 0 HG1 THR A 693 3.070 -0.034 -7.496 1.00 0.00 H new ATOM 0 HG21 THR A 693 2.142 0.804 -5.457 1.00 0.00 H new ATOM 0 HG22 THR A 693 3.279 1.139 -4.130 1.00 0.00 H new ATOM 0 HG23 THR A 693 3.256 2.188 -5.567 1.00 0.00 H new ATOM 318 N SER A 694 7.218 -0.311 -7.010 1.00 0.00 N ATOM 319 CA SER A 694 8.183 -1.328 -7.411 1.00 0.00 C ATOM 320 C SER A 694 9.247 -1.521 -6.336 1.00 0.00 C ATOM 321 O SER A 694 9.455 -2.630 -5.843 1.00 0.00 O ATOM 322 CB SER A 694 8.844 -0.940 -8.735 1.00 0.00 C ATOM 323 OG SER A 694 7.987 -1.207 -9.831 1.00 0.00 O ATOM 0 H SER A 694 7.075 0.429 -7.697 1.00 0.00 H new ATOM 0 HA SER A 694 7.649 -2.269 -7.542 1.00 0.00 H new ATOM 0 HB2 SER A 694 9.101 0.119 -8.720 1.00 0.00 H new ATOM 0 HB3 SER A 694 9.776 -1.492 -8.855 1.00 0.00 H new ATOM 0 HG SER A 694 8.432 -0.949 -10.665 1.00 0.00 H new ATOM 329 N LYS A 695 9.920 -0.434 -5.976 1.00 0.00 N ATOM 330 CA LYS A 695 10.963 -0.480 -4.958 1.00 0.00 C ATOM 331 C LYS A 695 10.367 -0.750 -3.580 1.00 0.00 C ATOM 332 O LYS A 695 10.957 -1.459 -2.764 1.00 0.00 O ATOM 333 CB LYS A 695 11.745 0.835 -4.939 1.00 0.00 C ATOM 334 CG LYS A 695 12.906 0.866 -5.917 1.00 0.00 C ATOM 335 CD LYS A 695 13.980 1.847 -5.476 1.00 0.00 C ATOM 336 CE LYS A 695 13.571 3.285 -5.758 1.00 0.00 C ATOM 337 NZ LYS A 695 14.528 4.260 -5.166 1.00 0.00 N ATOM 0 H LYS A 695 9.762 0.491 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 695 11.642 -1.295 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 695 11.065 1.656 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 695 12.124 1.008 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 695 13.337 -0.132 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 695 12.542 1.144 -6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 695 14.171 1.724 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 695 14.913 1.624 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 695 13.513 3.441 -6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 695 12.574 3.465 -5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 695 14.214 5.228 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 695 14.565 4.128 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 695 15.474 4.106 -5.569 1.00 0.00 H new ATOM 351 N LEU A 696 9.193 -0.180 -3.327 1.00 0.00 N ATOM 352 CA LEU A 696 8.516 -0.360 -2.047 1.00 0.00 C ATOM 353 C LEU A 696 8.397 -1.840 -1.698 1.00 0.00 C ATOM 354 O LEU A 696 8.638 -2.241 -0.559 1.00 0.00 O ATOM 355 CB LEU A 696 7.127 0.279 -2.089 1.00 0.00 C ATOM 356 CG LEU A 696 6.200 -0.053 -0.919 1.00 0.00 C ATOM 357 CD1 LEU A 696 6.707 0.588 0.363 1.00 0.00 C ATOM 358 CD2 LEU A 696 4.779 0.401 -1.220 1.00 0.00 C ATOM 0 H LEU A 696 8.691 0.410 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 696 9.111 0.129 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 696 7.248 1.361 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.636 -0.026 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 696 6.193 -1.134 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 696 6.034 0.341 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 696 7.706 0.214 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 696 6.745 1.670 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 696 4.133 0.157 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 696 4.769 1.478 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 696 4.416 -0.107 -2.114 1.00 0.00 H new ATOM 370 N ALA A 697 8.025 -2.648 -2.685 1.00 0.00 N ATOM 371 CA ALA A 697 7.878 -4.084 -2.483 1.00 0.00 C ATOM 372 C ALA A 697 9.159 -4.694 -1.923 1.00 0.00 C ATOM 373 O ALA A 697 9.114 -5.598 -1.089 1.00 0.00 O ATOM 374 CB ALA A 697 7.495 -4.764 -3.789 1.00 0.00 C ATOM 0 H ALA A 697 7.820 -2.332 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 697 7.082 -4.244 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 697 7.389 -5.836 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 697 6.550 -4.357 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 697 8.272 -4.587 -4.533 1.00 0.00 H new ATOM 380 N ARG A 698 10.299 -4.193 -2.387 1.00 0.00 N ATOM 381 CA ARG A 698 11.592 -4.690 -1.934 1.00 0.00 C ATOM 382 C ARG A 698 11.861 -4.270 -0.492 1.00 0.00 C ATOM 383 O ARG A 698 12.597 -4.939 0.234 1.00 0.00 O ATOM 384 CB ARG A 698 12.709 -4.174 -2.844 1.00 0.00 C ATOM 385 CG ARG A 698 12.445 -4.404 -4.323 1.00 0.00 C ATOM 386 CD ARG A 698 12.555 -5.877 -4.685 1.00 0.00 C ATOM 387 NE ARG A 698 13.916 -6.380 -4.523 1.00 0.00 N ATOM 388 CZ ARG A 698 14.274 -7.631 -4.790 1.00 0.00 C ATOM 389 NH1 ARG A 698 13.376 -8.502 -5.229 1.00 0.00 N ATOM 390 NH2 ARG A 698 15.533 -8.014 -4.617 1.00 0.00 N ATOM 0 H ARG A 698 10.353 -3.443 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 698 11.570 -5.779 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 698 12.844 -3.107 -2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 698 13.644 -4.663 -2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 698 11.450 -4.039 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 698 13.157 -3.828 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 698 11.877 -6.456 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 698 12.236 -6.022 -5.717 1.00 0.00 H new ATOM 0 HE ARG A 698 14.631 -5.735 -4.186 1.00 0.00 H new ATOM 0 HH11 ARG A 698 12.407 -8.212 -5.363 1.00 0.00 H new ATOM 0 HH12 ARG A 698 13.654 -9.462 -5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 698 16.227 -7.347 -4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 698 15.807 -8.975 -4.822 1.00 0.00 H new ATOM 404 N HIS A 699 11.261 -3.156 -0.084 1.00 0.00 N ATOM 405 CA HIS A 699 11.435 -2.646 1.271 1.00 0.00 C ATOM 406 C HIS A 699 10.658 -3.493 2.275 1.00 0.00 C ATOM 407 O HIS A 699 11.116 -3.720 3.395 1.00 0.00 O ATOM 408 CB HIS A 699 10.978 -1.189 1.354 1.00 0.00 C ATOM 409 CG HIS A 699 10.952 -0.648 2.750 1.00 0.00 C ATOM 410 ND1 HIS A 699 12.091 -0.292 3.441 1.00 0.00 N ATOM 411 CD2 HIS A 699 9.915 -0.400 3.583 1.00 0.00 C ATOM 412 CE1 HIS A 699 11.756 0.149 4.640 1.00 0.00 C ATOM 413 NE2 HIS A 699 10.441 0.095 4.752 1.00 0.00 N ATOM 0 H HIS A 699 10.650 -2.590 -0.673 1.00 0.00 H new ATOM 0 HA HIS A 699 12.495 -2.701 1.519 1.00 0.00 H new ATOM 0 HB2 HIS A 699 11.642 -0.573 0.747 1.00 0.00 H new ATOM 0 HB3 HIS A 699 9.981 -1.104 0.922 1.00 0.00 H new ATOM 0 HD1 HIS A 699 13.043 -0.359 3.082 1.00 0.00 H new ATOM 0 HD2 HIS A 699 8.869 -0.561 3.369 1.00 0.00 H new ATOM 0 HE1 HIS A 699 12.441 0.495 5.400 1.00 0.00 H new ATOM 421 N GLN A 700 9.481 -3.956 1.865 1.00 0.00 N ATOM 422 CA GLN A 700 8.641 -4.776 2.730 1.00 0.00 C ATOM 423 C GLN A 700 9.378 -6.037 3.169 1.00 0.00 C ATOM 424 O GLN A 700 9.041 -6.642 4.187 1.00 0.00 O ATOM 425 CB GLN A 700 7.346 -5.153 2.008 1.00 0.00 C ATOM 426 CG GLN A 700 6.421 -3.972 1.760 1.00 0.00 C ATOM 427 CD GLN A 700 5.011 -4.400 1.403 1.00 0.00 C ATOM 428 OE1 GLN A 700 4.638 -5.560 1.582 1.00 0.00 O ATOM 429 NE2 GLN A 700 4.219 -3.463 0.895 1.00 0.00 N ATOM 0 H GLN A 700 9.088 -3.777 0.941 1.00 0.00 H new ATOM 0 HA GLN A 700 8.398 -4.192 3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 700 7.594 -5.616 1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 700 6.816 -5.901 2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 700 6.392 -3.345 2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 700 6.826 -3.361 0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 700 4.570 -2.514 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 700 3.259 -3.692 0.636 1.00 0.00 H new ATOM 438 N ARG A 701 10.386 -6.427 2.395 1.00 0.00 N ATOM 439 CA ARG A 701 11.170 -7.616 2.704 1.00 0.00 C ATOM 440 C ARG A 701 11.677 -7.575 4.142 1.00 0.00 C ATOM 441 O ARG A 701 11.566 -8.555 4.879 1.00 0.00 O ATOM 442 CB ARG A 701 12.350 -7.740 1.739 1.00 0.00 C ATOM 443 CG ARG A 701 11.938 -8.045 0.308 1.00 0.00 C ATOM 444 CD ARG A 701 11.484 -9.489 0.155 1.00 0.00 C ATOM 445 NE ARG A 701 12.554 -10.434 0.463 1.00 0.00 N ATOM 446 CZ ARG A 701 13.534 -10.735 -0.381 1.00 0.00 C ATOM 447 NH1 ARG A 701 13.581 -10.167 -1.578 1.00 0.00 N ATOM 448 NH2 ARG A 701 14.472 -11.605 -0.028 1.00 0.00 N ATOM 0 H ARG A 701 10.678 -5.937 1.550 1.00 0.00 H new ATOM 0 HA ARG A 701 10.523 -8.486 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 701 12.920 -6.811 1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 701 13.016 -8.528 2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 701 11.131 -7.375 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 701 12.776 -7.853 -0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 701 10.636 -9.674 0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 701 11.137 -9.654 -0.865 1.00 0.00 H new ATOM 0 HE ARG A 701 12.548 -10.888 1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 701 12.863 -9.497 -1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 701 14.335 -10.400 -2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 701 14.441 -12.043 0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 701 15.224 -11.835 -0.677 1.00 0.00 H new ATOM 462 N VAL A 702 12.235 -6.434 4.535 1.00 0.00 N ATOM 463 CA VAL A 702 12.759 -6.265 5.885 1.00 0.00 C ATOM 464 C VAL A 702 11.721 -6.657 6.931 1.00 0.00 C ATOM 465 O VAL A 702 12.064 -7.116 8.020 1.00 0.00 O ATOM 466 CB VAL A 702 13.202 -4.811 6.137 1.00 0.00 C ATOM 467 CG1 VAL A 702 14.212 -4.372 5.088 1.00 0.00 C ATOM 468 CG2 VAL A 702 11.997 -3.883 6.150 1.00 0.00 C ATOM 0 H VAL A 702 12.336 -5.613 3.938 1.00 0.00 H new ATOM 0 HA VAL A 702 13.625 -6.921 5.973 1.00 0.00 H new ATOM 0 HB VAL A 702 13.683 -4.759 7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 702 14.514 -3.343 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 702 15.087 -5.021 5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 702 13.760 -4.438 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 702 12.328 -2.860 6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 702 11.486 -3.936 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 702 11.312 -4.187 6.942 1.00 0.00 H new ATOM 478 N HIS A 703 10.449 -6.473 6.592 1.00 0.00 N ATOM 479 CA HIS A 703 9.359 -6.808 7.501 1.00 0.00 C ATOM 480 C HIS A 703 8.855 -8.226 7.246 1.00 0.00 C ATOM 481 O HIS A 703 9.059 -9.126 8.061 1.00 0.00 O ATOM 482 CB HIS A 703 8.211 -5.810 7.346 1.00 0.00 C ATOM 483 CG HIS A 703 8.643 -4.380 7.450 1.00 0.00 C ATOM 484 ND1 HIS A 703 9.135 -3.825 8.613 1.00 0.00 N ATOM 485 CD2 HIS A 703 8.657 -3.390 6.528 1.00 0.00 C ATOM 486 CE1 HIS A 703 9.430 -2.555 8.401 1.00 0.00 C ATOM 487 NE2 HIS A 703 9.150 -2.266 7.143 1.00 0.00 N ATOM 0 H HIS A 703 10.148 -6.094 5.694 1.00 0.00 H new ATOM 0 HA HIS A 703 9.740 -6.755 8.521 1.00 0.00 H new ATOM 0 HB2 HIS A 703 7.732 -5.967 6.380 1.00 0.00 H new ATOM 0 HB3 HIS A 703 7.460 -6.011 8.110 1.00 0.00 H new ATOM 0 HD1 HIS A 703 9.253 -4.318 9.498 1.00 0.00 H new ATOM 0 HD2 HIS A 703 8.339 -3.469 5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 703 9.832 -1.869 9.132 1.00 0.00 H new ATOM 495 N THR A 704 8.194 -8.417 6.108 1.00 0.00 N ATOM 496 CA THR A 704 7.659 -9.723 5.746 1.00 0.00 C ATOM 497 C THR A 704 8.640 -10.497 4.872 1.00 0.00 C ATOM 498 O THR A 704 9.459 -9.906 4.169 1.00 0.00 O ATOM 499 CB THR A 704 6.317 -9.594 5.001 1.00 0.00 C ATOM 500 OG1 THR A 704 5.828 -10.891 4.642 1.00 0.00 O ATOM 501 CG2 THR A 704 6.472 -8.742 3.750 1.00 0.00 C ATOM 0 H THR A 704 8.017 -7.683 5.422 1.00 0.00 H new ATOM 0 HA THR A 704 7.499 -10.267 6.677 1.00 0.00 H new ATOM 0 HB THR A 704 5.603 -9.109 5.667 1.00 0.00 H new ATOM 0 HG1 THR A 704 4.974 -10.800 4.170 1.00 0.00 H new ATOM 0 HG21 THR A 704 5.511 -8.665 3.241 1.00 0.00 H new ATOM 0 HG22 THR A 704 6.816 -7.746 4.029 1.00 0.00 H new ATOM 0 HG23 THR A 704 7.200 -9.204 3.083 1.00 0.00 H new ATOM 509 N GLY A 705 8.550 -11.822 4.920 1.00 0.00 N ATOM 510 CA GLY A 705 9.436 -12.655 4.127 1.00 0.00 C ATOM 511 C GLY A 705 9.223 -14.134 4.381 1.00 0.00 C ATOM 512 O GLY A 705 8.631 -14.832 3.559 1.00 0.00 O ATOM 0 H GLY A 705 7.880 -12.334 5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 705 9.277 -12.445 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 705 10.471 -12.396 4.352 1.00 0.00 H new ATOM 516 N GLU A 706 9.710 -14.613 5.522 1.00 0.00 N ATOM 517 CA GLU A 706 9.572 -16.020 5.880 1.00 0.00 C ATOM 518 C GLU A 706 8.117 -16.362 6.191 1.00 0.00 C ATOM 519 O GLU A 706 7.502 -15.765 7.075 1.00 0.00 O ATOM 520 CB GLU A 706 10.454 -16.352 7.085 1.00 0.00 C ATOM 521 CG GLU A 706 11.941 -16.213 6.806 1.00 0.00 C ATOM 522 CD GLU A 706 12.798 -16.670 7.971 1.00 0.00 C ATOM 523 OE1 GLU A 706 13.010 -17.893 8.107 1.00 0.00 O ATOM 524 OE2 GLU A 706 13.256 -15.805 8.747 1.00 0.00 O ATOM 0 H GLU A 706 10.203 -14.048 6.213 1.00 0.00 H new ATOM 0 HA GLU A 706 9.894 -16.618 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 706 10.185 -15.696 7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 706 10.247 -17.373 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 706 12.197 -16.796 5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 706 12.169 -15.171 6.579 1.00 0.00 H new ATOM 531 N LYS A 707 7.572 -17.326 5.457 1.00 0.00 N ATOM 532 CA LYS A 707 6.191 -17.750 5.653 1.00 0.00 C ATOM 533 C LYS A 707 5.867 -18.966 4.792 1.00 0.00 C ATOM 534 O LYS A 707 5.093 -18.893 3.837 1.00 0.00 O ATOM 535 CB LYS A 707 5.232 -16.605 5.318 1.00 0.00 C ATOM 536 CG LYS A 707 3.834 -16.799 5.878 1.00 0.00 C ATOM 537 CD LYS A 707 3.087 -15.480 5.982 1.00 0.00 C ATOM 538 CE LYS A 707 2.712 -14.942 4.610 1.00 0.00 C ATOM 539 NZ LYS A 707 1.636 -13.916 4.691 1.00 0.00 N ATOM 0 H LYS A 707 8.066 -17.829 4.720 1.00 0.00 H new ATOM 0 HA LYS A 707 6.067 -18.025 6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 707 5.643 -15.673 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 707 5.169 -16.500 4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 707 3.277 -17.484 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 707 3.897 -17.261 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 707 2.185 -15.617 6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 707 3.706 -14.750 6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 707 3.593 -14.508 4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 707 2.382 -15.764 3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 1.409 -13.574 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 0.787 -14.337 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 1.960 -13.119 5.276 1.00 0.00 H new ATOM 553 N PRO A 708 6.472 -20.113 5.135 1.00 0.00 N ATOM 554 CA PRO A 708 6.262 -21.368 4.406 1.00 0.00 C ATOM 555 C PRO A 708 4.860 -21.931 4.614 1.00 0.00 C ATOM 556 O PRO A 708 4.017 -21.303 5.255 1.00 0.00 O ATOM 557 CB PRO A 708 7.310 -22.308 5.008 1.00 0.00 C ATOM 558 CG PRO A 708 7.567 -21.765 6.372 1.00 0.00 C ATOM 559 CD PRO A 708 7.408 -20.274 6.261 1.00 0.00 C ATOM 0 HA PRO A 708 6.358 -21.234 3.329 1.00 0.00 H new ATOM 0 HB2 PRO A 708 6.943 -23.333 5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 708 8.221 -22.321 4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 708 6.865 -22.179 7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 708 8.569 -22.026 6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 708 7.009 -19.843 7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 708 8.361 -19.782 6.065 1.00 0.00 H new ATOM 567 N SER A 709 4.617 -23.118 4.069 1.00 0.00 N ATOM 568 CA SER A 709 3.315 -23.764 4.192 1.00 0.00 C ATOM 569 C SER A 709 3.084 -24.253 5.618 1.00 0.00 C ATOM 570 O SER A 709 2.100 -23.889 6.260 1.00 0.00 O ATOM 571 CB SER A 709 3.210 -24.937 3.215 1.00 0.00 C ATOM 572 OG SER A 709 1.897 -25.469 3.196 1.00 0.00 O ATOM 0 H SER A 709 5.304 -23.652 3.538 1.00 0.00 H new ATOM 0 HA SER A 709 2.548 -23.029 3.950 1.00 0.00 H new ATOM 0 HB2 SER A 709 3.486 -24.606 2.214 1.00 0.00 H new ATOM 0 HB3 SER A 709 3.917 -25.716 3.500 1.00 0.00 H new ATOM 0 HG SER A 709 1.856 -26.216 2.563 1.00 0.00 H new ATOM 578 N GLY A 710 4.001 -25.083 6.109 1.00 0.00 N ATOM 579 CA GLY A 710 3.880 -25.609 7.455 1.00 0.00 C ATOM 580 C GLY A 710 5.213 -25.675 8.174 1.00 0.00 C ATOM 581 O GLY A 710 6.260 -25.350 7.615 1.00 0.00 O ATOM 0 H GLY A 710 4.825 -25.400 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 710 3.193 -24.984 8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 710 3.443 -26.607 7.414 1.00 0.00 H new ATOM 585 N PRO A 711 5.183 -26.103 9.445 1.00 0.00 N ATOM 586 CA PRO A 711 6.390 -26.219 10.269 1.00 0.00 C ATOM 587 C PRO A 711 7.302 -27.350 9.806 1.00 0.00 C ATOM 588 O PRO A 711 8.498 -27.356 10.098 1.00 0.00 O ATOM 589 CB PRO A 711 5.839 -26.515 11.666 1.00 0.00 C ATOM 590 CG PRO A 711 4.512 -27.148 11.423 1.00 0.00 C ATOM 591 CD PRO A 711 3.970 -26.508 10.175 1.00 0.00 C ATOM 0 HA PRO A 711 7.005 -25.320 10.220 1.00 0.00 H new ATOM 0 HB2 PRO A 711 6.500 -27.182 12.219 1.00 0.00 H new ATOM 0 HB3 PRO A 711 5.741 -25.603 12.254 1.00 0.00 H new ATOM 0 HG2 PRO A 711 4.611 -28.226 11.297 1.00 0.00 H new ATOM 0 HG3 PRO A 711 3.842 -26.986 12.267 1.00 0.00 H new ATOM 0 HD2 PRO A 711 3.366 -27.206 9.595 1.00 0.00 H new ATOM 0 HD3 PRO A 711 3.335 -25.652 10.405 1.00 0.00 H new ATOM 599 N SER A 712 6.730 -28.307 9.081 1.00 0.00 N ATOM 600 CA SER A 712 7.491 -29.445 8.580 1.00 0.00 C ATOM 601 C SER A 712 8.699 -28.978 7.774 1.00 0.00 C ATOM 602 O SER A 712 9.837 -29.342 8.072 1.00 0.00 O ATOM 603 CB SER A 712 6.601 -30.340 7.715 1.00 0.00 C ATOM 604 OG SER A 712 5.321 -30.502 8.299 1.00 0.00 O ATOM 0 H SER A 712 5.742 -28.316 8.828 1.00 0.00 H new ATOM 0 HA SER A 712 7.847 -30.018 9.436 1.00 0.00 H new ATOM 0 HB2 SER A 712 6.498 -29.905 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 712 7.073 -31.314 7.589 1.00 0.00 H new ATOM 0 HG SER A 712 4.771 -31.076 7.727 1.00 0.00 H new ATOM 610 N SER A 713 8.443 -28.169 6.750 1.00 0.00 N ATOM 611 CA SER A 713 9.508 -27.654 5.898 1.00 0.00 C ATOM 612 C SER A 713 10.257 -26.519 6.589 1.00 0.00 C ATOM 613 O SER A 713 10.044 -25.346 6.288 1.00 0.00 O ATOM 614 CB SER A 713 8.933 -27.165 4.567 1.00 0.00 C ATOM 615 OG SER A 713 8.570 -28.255 3.737 1.00 0.00 O ATOM 0 H SER A 713 7.507 -27.856 6.491 1.00 0.00 H new ATOM 0 HA SER A 713 10.211 -28.465 5.707 1.00 0.00 H new ATOM 0 HB2 SER A 713 8.060 -26.539 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 713 9.668 -26.544 4.056 1.00 0.00 H new ATOM 0 HG SER A 713 8.204 -27.916 2.894 1.00 0.00 H new ATOM 621 N GLY A 714 11.136 -26.879 7.519 1.00 0.00 N ATOM 622 CA GLY A 714 11.904 -25.880 8.240 1.00 0.00 C ATOM 623 C GLY A 714 12.122 -26.254 9.693 1.00 0.00 C ATOM 624 O GLY A 714 12.223 -27.441 9.997 1.00 0.00 O ATOM 0 H GLY A 714 11.330 -27.844 7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 714 12.870 -25.748 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 714 11.387 -24.922 8.188 1.00 0.00 H new TER 628 GLY A 714 HETATM 629 ZN ZN A 201 9.107 -0.423 6.276 1.00 0.00 ZN