USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=13 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 Single : A 670 SER OG : rot 180:sc= -0.0916 USER MOD Single : A 671 SER OG : rot 180:sc= 0 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 SER OG : rot 24:sc= 0.361 USER MOD Single : A 676 THR OG1 : rot 180:sc= 0 USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 682 GLN : amide:sc= -1.9 X(o=-1.9,f=-1.6) USER MOD Single : A 684 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.0002) USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 691 SER OG : rot 180:sc= -0.167 USER MOD Single : A 692 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.2!) USER MOD Single : A 693 THR OG1 : rot 180:sc= 0.00935 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= -0.024 X(o=-0.024,f=-0.3) USER MOD Single : A 704 THR OG1 : rot 180:sc=-0.00383 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 USER MOD Single : A 713 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 669 -26.258 4.355 12.199 1.00 0.00 N ATOM 2 CA GLY A 669 -24.879 4.591 12.584 1.00 0.00 C ATOM 3 C GLY A 669 -23.911 3.672 11.865 1.00 0.00 C ATOM 4 O GLY A 669 -24.326 2.747 11.167 1.00 0.00 O ATOM 0 HA2 GLY A 669 -24.618 5.627 12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 669 -24.776 4.451 13.660 1.00 0.00 H new ATOM 8 N SER A 670 -22.618 3.927 12.035 1.00 0.00 N ATOM 9 CA SER A 670 -21.588 3.118 11.393 1.00 0.00 C ATOM 10 C SER A 670 -20.201 3.502 11.900 1.00 0.00 C ATOM 11 O SER A 670 -20.018 4.563 12.496 1.00 0.00 O ATOM 12 CB SER A 670 -21.653 3.286 9.874 1.00 0.00 C ATOM 13 OG SER A 670 -20.685 2.475 9.230 1.00 0.00 O ATOM 0 H SER A 670 -22.258 4.687 12.612 1.00 0.00 H new ATOM 0 HA SER A 670 -21.771 2.073 11.645 1.00 0.00 H new ATOM 0 HB2 SER A 670 -22.649 3.022 9.518 1.00 0.00 H new ATOM 0 HB3 SER A 670 -21.488 4.331 9.613 1.00 0.00 H new ATOM 0 HG SER A 670 -20.748 2.599 8.260 1.00 0.00 H new ATOM 19 N SER A 671 -19.228 2.630 11.658 1.00 0.00 N ATOM 20 CA SER A 671 -17.857 2.875 12.093 1.00 0.00 C ATOM 21 C SER A 671 -16.883 1.961 11.356 1.00 0.00 C ATOM 22 O SER A 671 -16.986 0.737 11.430 1.00 0.00 O ATOM 23 CB SER A 671 -17.733 2.661 13.603 1.00 0.00 C ATOM 24 OG SER A 671 -16.423 2.250 13.953 1.00 0.00 O ATOM 0 H SER A 671 -19.363 1.748 11.164 1.00 0.00 H new ATOM 0 HA SER A 671 -17.606 3.909 11.858 1.00 0.00 H new ATOM 0 HB2 SER A 671 -17.980 3.585 14.126 1.00 0.00 H new ATOM 0 HB3 SER A 671 -18.452 1.909 13.927 1.00 0.00 H new ATOM 0 HG SER A 671 -16.369 2.121 14.923 1.00 0.00 H new ATOM 30 N GLY A 672 -15.935 2.566 10.646 1.00 0.00 N ATOM 31 CA GLY A 672 -14.955 1.792 9.906 1.00 0.00 C ATOM 32 C GLY A 672 -15.238 1.771 8.417 1.00 0.00 C ATOM 33 O GLY A 672 -15.201 0.714 7.787 1.00 0.00 O ATOM 0 H GLY A 672 -15.828 3.578 10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 672 -13.962 2.208 10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 672 -14.942 0.770 10.285 1.00 0.00 H new ATOM 37 N SER A 673 -15.523 2.940 7.853 1.00 0.00 N ATOM 38 CA SER A 673 -15.819 3.051 6.430 1.00 0.00 C ATOM 39 C SER A 673 -14.545 3.298 5.628 1.00 0.00 C ATOM 40 O SER A 673 -13.647 4.013 6.073 1.00 0.00 O ATOM 41 CB SER A 673 -16.819 4.182 6.182 1.00 0.00 C ATOM 42 OG SER A 673 -16.213 5.449 6.371 1.00 0.00 O ATOM 0 H SER A 673 -15.555 3.824 8.360 1.00 0.00 H new ATOM 0 HA SER A 673 -16.258 2.109 6.101 1.00 0.00 H new ATOM 0 HB2 SER A 673 -17.210 4.110 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 673 -17.667 4.077 6.858 1.00 0.00 H new ATOM 0 HG SER A 673 -16.872 6.155 6.205 1.00 0.00 H new ATOM 48 N SER A 674 -14.474 2.701 4.442 1.00 0.00 N ATOM 49 CA SER A 674 -13.309 2.852 3.578 1.00 0.00 C ATOM 50 C SER A 674 -13.535 3.957 2.550 1.00 0.00 C ATOM 51 O SER A 674 -14.506 3.928 1.795 1.00 0.00 O ATOM 52 CB SER A 674 -13.001 1.533 2.867 1.00 0.00 C ATOM 53 OG SER A 674 -14.082 1.133 2.043 1.00 0.00 O ATOM 0 H SER A 674 -15.210 2.108 4.058 1.00 0.00 H new ATOM 0 HA SER A 674 -12.458 3.128 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 674 -12.101 1.644 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 674 -12.796 0.758 3.605 1.00 0.00 H new ATOM 0 HG SER A 674 -14.618 1.918 1.803 1.00 0.00 H new ATOM 59 N GLY A 675 -12.630 4.931 2.529 1.00 0.00 N ATOM 60 CA GLY A 675 -12.748 6.032 1.591 1.00 0.00 C ATOM 61 C GLY A 675 -11.984 7.261 2.042 1.00 0.00 C ATOM 62 O GLY A 675 -12.512 8.374 2.016 1.00 0.00 O ATOM 0 H GLY A 675 -11.818 4.977 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 675 -12.378 5.716 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 675 -13.800 6.288 1.466 1.00 0.00 H new ATOM 66 N THR A 676 -10.737 7.062 2.458 1.00 0.00 N ATOM 67 CA THR A 676 -9.901 8.163 2.920 1.00 0.00 C ATOM 68 C THR A 676 -8.444 7.950 2.524 1.00 0.00 C ATOM 69 O THR A 676 -7.766 7.076 3.064 1.00 0.00 O ATOM 70 CB THR A 676 -9.987 8.331 4.449 1.00 0.00 C ATOM 71 OG1 THR A 676 -11.354 8.468 4.850 1.00 0.00 O ATOM 72 CG2 THR A 676 -9.195 9.547 4.904 1.00 0.00 C ATOM 0 H THR A 676 -10.284 6.149 2.484 1.00 0.00 H new ATOM 0 HA THR A 676 -10.276 9.068 2.441 1.00 0.00 H new ATOM 0 HB THR A 676 -9.560 7.443 4.915 1.00 0.00 H new ATOM 0 HG1 THR A 676 -11.400 8.573 5.823 1.00 0.00 H new ATOM 0 HG21 THR A 676 -9.270 9.646 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 676 -8.149 9.426 4.622 1.00 0.00 H new ATOM 0 HG23 THR A 676 -9.598 10.442 4.429 1.00 0.00 H new ATOM 80 N GLY A 677 -7.968 8.754 1.579 1.00 0.00 N ATOM 81 CA GLY A 677 -6.594 8.637 1.128 1.00 0.00 C ATOM 82 C GLY A 677 -5.597 8.796 2.259 1.00 0.00 C ATOM 83 O GLY A 677 -5.978 9.053 3.400 1.00 0.00 O ATOM 0 H GLY A 677 -8.510 9.485 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 677 -6.451 7.665 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 677 -6.399 9.393 0.367 1.00 0.00 H new ATOM 87 N GLY A 678 -4.315 8.641 1.942 1.00 0.00 N ATOM 88 CA GLY A 678 -3.281 8.770 2.952 1.00 0.00 C ATOM 89 C GLY A 678 -2.092 7.869 2.683 1.00 0.00 C ATOM 90 O GLY A 678 -1.213 8.208 1.889 1.00 0.00 O ATOM 0 H GLY A 678 -3.974 8.429 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -2.946 9.806 2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -3.700 8.531 3.929 1.00 0.00 H new ATOM 94 N LYS A 679 -2.061 6.718 3.346 1.00 0.00 N ATOM 95 CA LYS A 679 -0.972 5.765 3.175 1.00 0.00 C ATOM 96 C LYS A 679 -1.499 4.415 2.699 1.00 0.00 C ATOM 97 O LYS A 679 -1.496 3.427 3.433 1.00 0.00 O ATOM 98 CB LYS A 679 -0.208 5.591 4.490 1.00 0.00 C ATOM 99 CG LYS A 679 0.478 6.859 4.967 1.00 0.00 C ATOM 100 CD LYS A 679 0.865 6.767 6.434 1.00 0.00 C ATOM 101 CE LYS A 679 -0.351 6.897 7.339 1.00 0.00 C ATOM 102 NZ LYS A 679 -0.002 7.512 8.650 1.00 0.00 N ATOM 0 H LYS A 679 -2.779 6.423 4.008 1.00 0.00 H new ATOM 0 HA LYS A 679 -0.295 6.158 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -0.900 5.251 5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 679 0.540 4.808 4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 679 1.369 7.040 4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -0.186 7.711 4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 679 1.360 5.814 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 679 1.583 7.552 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -1.110 7.503 6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -0.788 5.912 7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -0.857 7.584 9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 0.703 6.920 9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 0.391 8.462 8.494 1.00 0.00 H new ATOM 116 N PRO A 680 -1.962 4.370 1.441 1.00 0.00 N ATOM 117 CA PRO A 680 -2.499 3.146 0.839 1.00 0.00 C ATOM 118 C PRO A 680 -1.416 2.103 0.582 1.00 0.00 C ATOM 119 O PRO A 680 -1.596 0.921 0.880 1.00 0.00 O ATOM 120 CB PRO A 680 -3.095 3.634 -0.484 1.00 0.00 C ATOM 121 CG PRO A 680 -2.332 4.871 -0.810 1.00 0.00 C ATOM 122 CD PRO A 680 -1.995 5.509 0.509 1.00 0.00 C ATOM 0 HA PRO A 680 -3.220 2.653 1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 680 -2.987 2.884 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 680 -4.161 3.841 -0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -1.428 4.635 -1.372 1.00 0.00 H new ATOM 0 HG3 PRO A 680 -2.926 5.544 -1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.036 6.026 0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -2.743 6.246 0.802 1.00 0.00 H new ATOM 130 N TYR A 681 -0.293 2.546 0.030 1.00 0.00 N ATOM 131 CA TYR A 681 0.818 1.650 -0.268 1.00 0.00 C ATOM 132 C TYR A 681 2.021 1.960 0.618 1.00 0.00 C ATOM 133 O TYR A 681 2.832 1.082 0.910 1.00 0.00 O ATOM 134 CB TYR A 681 1.213 1.765 -1.741 1.00 0.00 C ATOM 135 CG TYR A 681 1.635 3.159 -2.148 1.00 0.00 C ATOM 136 CD1 TYR A 681 2.931 3.607 -1.925 1.00 0.00 C ATOM 137 CD2 TYR A 681 0.737 4.028 -2.756 1.00 0.00 C ATOM 138 CE1 TYR A 681 3.320 4.880 -2.294 1.00 0.00 C ATOM 139 CE2 TYR A 681 1.118 5.302 -3.130 1.00 0.00 C ATOM 140 CZ TYR A 681 2.410 5.724 -2.896 1.00 0.00 C ATOM 141 OH TYR A 681 2.794 6.992 -3.267 1.00 0.00 O ATOM 0 H TYR A 681 -0.127 3.521 -0.221 1.00 0.00 H new ATOM 0 HA TYR A 681 0.493 0.630 -0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 681 2.030 1.073 -1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 681 0.371 1.454 -2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 681 3.647 2.949 -1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 681 -0.276 3.702 -2.939 1.00 0.00 H new ATOM 0 HE1 TYR A 681 4.331 5.213 -2.112 1.00 0.00 H new ATOM 0 HE2 TYR A 681 0.408 5.964 -3.603 1.00 0.00 H new ATOM 0 HH TYR A 681 2.035 7.456 -3.678 1.00 0.00 H new ATOM 151 N GLN A 682 2.127 3.214 1.043 1.00 0.00 N ATOM 152 CA GLN A 682 3.230 3.641 1.896 1.00 0.00 C ATOM 153 C GLN A 682 3.363 2.728 3.111 1.00 0.00 C ATOM 154 O GLN A 682 2.398 2.508 3.844 1.00 0.00 O ATOM 155 CB GLN A 682 3.022 5.087 2.350 1.00 0.00 C ATOM 156 CG GLN A 682 4.080 5.577 3.326 1.00 0.00 C ATOM 157 CD GLN A 682 3.827 6.995 3.797 1.00 0.00 C ATOM 158 OE1 GLN A 682 3.904 7.287 4.991 1.00 0.00 O ATOM 159 NE2 GLN A 682 3.523 7.886 2.860 1.00 0.00 N ATOM 0 H GLN A 682 1.463 3.953 0.811 1.00 0.00 H new ATOM 0 HA GLN A 682 4.150 3.579 1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 682 3.018 5.737 1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 682 2.041 5.175 2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 682 4.109 4.911 4.189 1.00 0.00 H new ATOM 0 HG3 GLN A 682 5.059 5.525 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 682 3.470 7.600 1.882 1.00 0.00 H new ATOM 0 HE22 GLN A 682 3.342 8.856 3.118 1.00 0.00 H new ATOM 168 N CYS A 683 4.564 2.200 3.319 1.00 0.00 N ATOM 169 CA CYS A 683 4.825 1.310 4.444 1.00 0.00 C ATOM 170 C CYS A 683 4.365 1.942 5.755 1.00 0.00 C ATOM 171 O CYS A 683 4.867 2.989 6.160 1.00 0.00 O ATOM 172 CB CYS A 683 6.316 0.975 4.522 1.00 0.00 C ATOM 173 SG CYS A 683 6.724 -0.322 5.734 1.00 0.00 S ATOM 0 H CYS A 683 5.373 2.373 2.722 1.00 0.00 H new ATOM 0 HA CYS A 683 4.261 0.391 4.286 1.00 0.00 H new ATOM 0 HB2 CYS A 683 6.658 0.657 3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 683 6.868 1.880 4.775 1.00 0.00 H new ATOM 178 N ASN A 684 3.408 1.297 6.412 1.00 0.00 N ATOM 179 CA ASN A 684 2.880 1.795 7.677 1.00 0.00 C ATOM 180 C ASN A 684 3.571 1.121 8.859 1.00 0.00 C ATOM 181 O ASN A 684 3.637 1.681 9.953 1.00 0.00 O ATOM 182 CB ASN A 684 1.370 1.558 7.753 1.00 0.00 C ATOM 183 CG ASN A 684 0.699 2.429 8.797 1.00 0.00 C ATOM 184 OD1 ASN A 684 0.041 1.928 9.709 1.00 0.00 O ATOM 185 ND2 ASN A 684 0.864 3.740 8.668 1.00 0.00 N ATOM 0 H ASN A 684 2.982 0.428 6.090 1.00 0.00 H new ATOM 0 HA ASN A 684 3.076 2.866 7.726 1.00 0.00 H new ATOM 0 HB2 ASN A 684 0.925 1.756 6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 684 1.181 0.509 7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 684 0.437 4.376 9.341 1.00 0.00 H new ATOM 0 HD22 ASN A 684 1.418 4.111 7.896 1.00 0.00 H new ATOM 192 N GLU A 685 4.086 -0.083 8.628 1.00 0.00 N ATOM 193 CA GLU A 685 4.772 -0.832 9.674 1.00 0.00 C ATOM 194 C GLU A 685 5.856 0.018 10.330 1.00 0.00 C ATOM 195 O GLU A 685 5.965 0.069 11.556 1.00 0.00 O ATOM 196 CB GLU A 685 5.388 -2.108 9.097 1.00 0.00 C ATOM 197 CG GLU A 685 4.366 -3.063 8.503 1.00 0.00 C ATOM 198 CD GLU A 685 3.594 -3.824 9.564 1.00 0.00 C ATOM 199 OE1 GLU A 685 4.233 -4.542 10.361 1.00 0.00 O ATOM 200 OE2 GLU A 685 2.352 -3.701 9.596 1.00 0.00 O ATOM 0 H GLU A 685 4.041 -0.560 7.727 1.00 0.00 H new ATOM 0 HA GLU A 685 4.038 -1.102 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 685 6.110 -1.837 8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 685 5.940 -2.623 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 685 3.667 -2.502 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 685 4.874 -3.772 7.849 1.00 0.00 H new ATOM 207 N CYS A 686 6.658 0.684 9.506 1.00 0.00 N ATOM 208 CA CYS A 686 7.735 1.531 10.003 1.00 0.00 C ATOM 209 C CYS A 686 7.503 2.989 9.617 1.00 0.00 C ATOM 210 O CYS A 686 7.968 3.904 10.296 1.00 0.00 O ATOM 211 CB CYS A 686 9.081 1.055 9.455 1.00 0.00 C ATOM 212 SG CYS A 686 9.287 1.312 7.663 1.00 0.00 S ATOM 0 H CYS A 686 6.582 0.653 8.489 1.00 0.00 H new ATOM 0 HA CYS A 686 7.747 1.459 11.091 1.00 0.00 H new ATOM 0 HB2 CYS A 686 9.880 1.577 9.980 1.00 0.00 H new ATOM 0 HB3 CYS A 686 9.196 -0.006 9.675 1.00 0.00 H new ATOM 217 N GLY A 687 6.779 3.198 8.522 1.00 0.00 N ATOM 218 CA GLY A 687 6.497 4.546 8.064 1.00 0.00 C ATOM 219 C GLY A 687 7.434 4.990 6.959 1.00 0.00 C ATOM 220 O GLY A 687 7.842 6.151 6.910 1.00 0.00 O ATOM 0 H GLY A 687 6.382 2.457 7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 687 5.469 4.597 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 687 6.578 5.236 8.904 1.00 0.00 H new ATOM 224 N LYS A 688 7.778 4.066 6.069 1.00 0.00 N ATOM 225 CA LYS A 688 8.674 4.367 4.959 1.00 0.00 C ATOM 226 C LYS A 688 7.894 4.526 3.658 1.00 0.00 C ATOM 227 O LYS A 688 6.984 3.748 3.370 1.00 0.00 O ATOM 228 CB LYS A 688 9.721 3.261 4.806 1.00 0.00 C ATOM 229 CG LYS A 688 10.738 3.533 3.712 1.00 0.00 C ATOM 230 CD LYS A 688 11.923 4.326 4.236 1.00 0.00 C ATOM 231 CE LYS A 688 11.601 5.809 4.337 1.00 0.00 C ATOM 232 NZ LYS A 688 12.833 6.647 4.314 1.00 0.00 N ATOM 0 H LYS A 688 7.449 3.101 6.095 1.00 0.00 H new ATOM 0 HA LYS A 688 9.178 5.308 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 688 10.244 3.134 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 688 9.214 2.320 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 688 11.087 2.588 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 688 10.262 4.083 2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 688 12.210 3.947 5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 688 12.779 4.183 3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 688 10.951 6.097 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 688 11.050 5.999 5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 12.571 7.651 4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 13.442 6.391 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 13.346 6.485 3.424 1.00 0.00 H new ATOM 246 N ALA A 689 8.256 5.537 2.876 1.00 0.00 N ATOM 247 CA ALA A 689 7.592 5.795 1.604 1.00 0.00 C ATOM 248 C ALA A 689 8.589 5.779 0.451 1.00 0.00 C ATOM 249 O ALA A 689 9.798 5.882 0.660 1.00 0.00 O ATOM 250 CB ALA A 689 6.859 7.128 1.652 1.00 0.00 C ATOM 0 H ALA A 689 9.006 6.191 3.101 1.00 0.00 H new ATOM 0 HA ALA A 689 6.866 5.000 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 689 6.368 7.308 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 689 6.112 7.104 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 689 7.572 7.928 1.850 1.00 0.00 H new ATOM 256 N PHE A 690 8.075 5.649 -0.768 1.00 0.00 N ATOM 257 CA PHE A 690 8.921 5.618 -1.955 1.00 0.00 C ATOM 258 C PHE A 690 8.214 6.262 -3.144 1.00 0.00 C ATOM 259 O PHE A 690 7.022 6.560 -3.084 1.00 0.00 O ATOM 260 CB PHE A 690 9.306 4.177 -2.296 1.00 0.00 C ATOM 261 CG PHE A 690 10.111 3.501 -1.222 1.00 0.00 C ATOM 262 CD1 PHE A 690 9.483 2.843 -0.177 1.00 0.00 C ATOM 263 CD2 PHE A 690 11.496 3.525 -1.259 1.00 0.00 C ATOM 264 CE1 PHE A 690 10.222 2.222 0.812 1.00 0.00 C ATOM 265 CE2 PHE A 690 12.240 2.905 -0.272 1.00 0.00 C ATOM 266 CZ PHE A 690 11.602 2.252 0.764 1.00 0.00 C ATOM 0 H PHE A 690 7.077 5.563 -0.959 1.00 0.00 H new ATOM 0 HA PHE A 690 9.825 6.187 -1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 690 8.399 3.600 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 690 9.877 4.172 -3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 690 8.404 2.815 -0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 690 12.000 4.034 -2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 690 9.721 1.713 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 690 13.319 2.931 -0.311 1.00 0.00 H new ATOM 0 HZ PHE A 690 12.181 1.766 1.535 1.00 0.00 H new ATOM 276 N SER A 691 8.959 6.474 -4.224 1.00 0.00 N ATOM 277 CA SER A 691 8.406 7.086 -5.427 1.00 0.00 C ATOM 278 C SER A 691 7.492 6.111 -6.162 1.00 0.00 C ATOM 279 O SER A 691 6.389 6.469 -6.574 1.00 0.00 O ATOM 280 CB SER A 691 9.532 7.545 -6.355 1.00 0.00 C ATOM 281 OG SER A 691 10.185 6.438 -6.951 1.00 0.00 O ATOM 0 H SER A 691 9.947 6.231 -4.291 1.00 0.00 H new ATOM 0 HA SER A 691 7.817 7.952 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 691 9.126 8.193 -7.132 1.00 0.00 H new ATOM 0 HB3 SER A 691 10.254 8.137 -5.791 1.00 0.00 H new ATOM 0 HG SER A 691 10.899 6.758 -7.541 1.00 0.00 H new ATOM 287 N GLN A 692 7.959 4.877 -6.322 1.00 0.00 N ATOM 288 CA GLN A 692 7.184 3.850 -7.007 1.00 0.00 C ATOM 289 C GLN A 692 6.994 2.626 -6.117 1.00 0.00 C ATOM 290 O GLN A 692 7.841 2.318 -5.278 1.00 0.00 O ATOM 291 CB GLN A 692 7.875 3.445 -8.311 1.00 0.00 C ATOM 292 CG GLN A 692 6.924 2.882 -9.354 1.00 0.00 C ATOM 293 CD GLN A 692 7.413 3.107 -10.771 1.00 0.00 C ATOM 294 OE1 GLN A 692 8.219 4.002 -11.027 1.00 0.00 O ATOM 295 NE2 GLN A 692 6.927 2.295 -11.702 1.00 0.00 N ATOM 0 H GLN A 692 8.870 4.564 -5.987 1.00 0.00 H new ATOM 0 HA GLN A 692 6.202 4.264 -7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 692 8.385 4.314 -8.727 1.00 0.00 H new ATOM 0 HB3 GLN A 692 8.641 2.701 -8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 692 6.795 1.813 -9.184 1.00 0.00 H new ATOM 0 HG3 GLN A 692 5.944 3.344 -9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 692 6.261 1.566 -11.446 1.00 0.00 H new ATOM 0 HE22 GLN A 692 7.220 2.400 -12.673 1.00 0.00 H new ATOM 304 N THR A 693 5.876 1.931 -6.306 1.00 0.00 N ATOM 305 CA THR A 693 5.574 0.742 -5.519 1.00 0.00 C ATOM 306 C THR A 693 6.566 -0.377 -5.811 1.00 0.00 C ATOM 307 O THR A 693 6.793 -1.253 -4.976 1.00 0.00 O ATOM 308 CB THR A 693 4.147 0.233 -5.796 1.00 0.00 C ATOM 309 OG1 THR A 693 3.893 0.229 -7.206 1.00 0.00 O ATOM 310 CG2 THR A 693 3.116 1.104 -5.093 1.00 0.00 C ATOM 0 H THR A 693 5.165 2.171 -6.997 1.00 0.00 H new ATOM 0 HA THR A 693 5.653 1.029 -4.470 1.00 0.00 H new ATOM 0 HB THR A 693 4.066 -0.783 -5.410 1.00 0.00 H new ATOM 0 HG1 THR A 693 2.984 -0.098 -7.374 1.00 0.00 H new ATOM 0 HG21 THR A 693 2.116 0.725 -5.303 1.00 0.00 H new ATOM 0 HG22 THR A 693 3.294 1.082 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 693 3.199 2.129 -5.454 1.00 0.00 H new ATOM 318 N SER A 694 7.156 -0.343 -7.002 1.00 0.00 N ATOM 319 CA SER A 694 8.122 -1.358 -7.406 1.00 0.00 C ATOM 320 C SER A 694 9.230 -1.497 -6.366 1.00 0.00 C ATOM 321 O SER A 694 9.548 -2.601 -5.924 1.00 0.00 O ATOM 322 CB SER A 694 8.726 -1.005 -8.767 1.00 0.00 C ATOM 323 OG SER A 694 9.987 -1.628 -8.942 1.00 0.00 O ATOM 0 H SER A 694 6.982 0.376 -7.704 1.00 0.00 H new ATOM 0 HA SER A 694 7.599 -2.311 -7.485 1.00 0.00 H new ATOM 0 HB2 SER A 694 8.049 -1.318 -9.561 1.00 0.00 H new ATOM 0 HB3 SER A 694 8.836 0.076 -8.850 1.00 0.00 H new ATOM 0 HG SER A 694 10.351 -1.388 -9.820 1.00 0.00 H new ATOM 329 N LYS A 695 9.815 -0.368 -5.980 1.00 0.00 N ATOM 330 CA LYS A 695 10.887 -0.361 -4.991 1.00 0.00 C ATOM 331 C LYS A 695 10.343 -0.656 -3.597 1.00 0.00 C ATOM 332 O LYS A 695 11.036 -1.236 -2.759 1.00 0.00 O ATOM 333 CB LYS A 695 11.603 0.991 -4.995 1.00 0.00 C ATOM 334 CG LYS A 695 12.697 1.097 -6.044 1.00 0.00 C ATOM 335 CD LYS A 695 13.745 2.126 -5.655 1.00 0.00 C ATOM 336 CE LYS A 695 13.200 3.542 -5.754 1.00 0.00 C ATOM 337 NZ LYS A 695 13.139 4.016 -7.165 1.00 0.00 N ATOM 0 H LYS A 695 9.565 0.554 -6.337 1.00 0.00 H new ATOM 0 HA LYS A 695 11.598 -1.143 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 695 10.871 1.780 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 695 12.037 1.166 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 695 13.172 0.125 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 695 12.257 1.369 -7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 695 14.083 1.936 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 695 14.615 2.024 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 695 12.203 3.579 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 695 13.830 4.215 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 695 12.762 4.985 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 695 14.094 4.005 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 695 12.518 3.389 -7.715 1.00 0.00 H new ATOM 351 N LEU A 696 9.100 -0.255 -3.355 1.00 0.00 N ATOM 352 CA LEU A 696 8.463 -0.478 -2.062 1.00 0.00 C ATOM 353 C LEU A 696 8.358 -1.968 -1.756 1.00 0.00 C ATOM 354 O LEU A 696 8.559 -2.394 -0.619 1.00 0.00 O ATOM 355 CB LEU A 696 7.071 0.158 -2.041 1.00 0.00 C ATOM 356 CG LEU A 696 6.169 -0.241 -0.872 1.00 0.00 C ATOM 357 CD1 LEU A 696 6.718 0.306 0.436 1.00 0.00 C ATOM 358 CD2 LEU A 696 4.748 0.252 -1.104 1.00 0.00 C ATOM 0 H LEU A 696 8.513 0.226 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 696 9.081 -0.011 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 696 7.189 1.242 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.562 -0.098 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 696 6.149 -1.329 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 696 6.063 0.012 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 696 7.717 -0.095 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 696 6.768 1.394 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 696 4.120 -0.040 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 696 4.750 1.338 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 696 4.355 -0.188 -2.021 1.00 0.00 H new ATOM 370 N ALA A 697 8.045 -2.757 -2.779 1.00 0.00 N ATOM 371 CA ALA A 697 7.918 -4.200 -2.620 1.00 0.00 C ATOM 372 C ALA A 697 9.198 -4.804 -2.052 1.00 0.00 C ATOM 373 O ALA A 697 9.158 -5.801 -1.330 1.00 0.00 O ATOM 374 CB ALA A 697 7.573 -4.849 -3.952 1.00 0.00 C ATOM 0 H ALA A 697 7.875 -2.421 -3.727 1.00 0.00 H new ATOM 0 HA ALA A 697 7.111 -4.393 -1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 697 7.481 -5.927 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 697 6.629 -4.447 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 697 8.362 -4.639 -4.674 1.00 0.00 H new ATOM 380 N ARG A 698 10.332 -4.195 -2.382 1.00 0.00 N ATOM 381 CA ARG A 698 11.624 -4.675 -1.906 1.00 0.00 C ATOM 382 C ARG A 698 11.870 -4.235 -0.466 1.00 0.00 C ATOM 383 O ARG A 698 12.611 -4.882 0.274 1.00 0.00 O ATOM 384 CB ARG A 698 12.747 -4.159 -2.807 1.00 0.00 C ATOM 385 CG ARG A 698 12.472 -4.345 -4.290 1.00 0.00 C ATOM 386 CD ARG A 698 12.350 -5.816 -4.655 1.00 0.00 C ATOM 387 NE ARG A 698 13.525 -6.581 -4.244 1.00 0.00 N ATOM 388 CZ ARG A 698 13.645 -7.892 -4.417 1.00 0.00 C ATOM 389 NH1 ARG A 698 12.667 -8.581 -4.988 1.00 0.00 N ATOM 390 NH2 ARG A 698 14.745 -8.517 -4.017 1.00 0.00 N ATOM 0 H ARG A 698 10.382 -3.368 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 698 11.613 -5.764 -1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 698 12.905 -3.100 -2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 698 13.673 -4.674 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 698 11.552 -3.825 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 698 13.276 -3.891 -4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 698 11.461 -6.234 -4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 698 12.213 -5.912 -5.732 1.00 0.00 H new ATOM 0 HE ARG A 698 14.295 -6.081 -3.800 1.00 0.00 H new ATOM 0 HH11 ARG A 698 11.819 -8.104 -5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 698 12.762 -9.588 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG A 698 15.499 -7.990 -3.576 1.00 0.00 H new ATOM 0 HH22 ARG A 698 14.836 -9.524 -4.150 1.00 0.00 H new ATOM 404 N HIS A 699 11.243 -3.130 -0.075 1.00 0.00 N ATOM 405 CA HIS A 699 11.393 -2.603 1.277 1.00 0.00 C ATOM 406 C HIS A 699 10.645 -3.470 2.285 1.00 0.00 C ATOM 407 O HIS A 699 11.096 -3.653 3.415 1.00 0.00 O ATOM 408 CB HIS A 699 10.882 -1.164 1.346 1.00 0.00 C ATOM 409 CG HIS A 699 10.828 -0.613 2.737 1.00 0.00 C ATOM 410 ND1 HIS A 699 11.919 -0.051 3.367 1.00 0.00 N ATOM 411 CD2 HIS A 699 9.806 -0.539 3.622 1.00 0.00 C ATOM 412 CE1 HIS A 699 11.570 0.344 4.578 1.00 0.00 C ATOM 413 NE2 HIS A 699 10.293 0.060 4.758 1.00 0.00 N ATOM 0 H HIS A 699 10.626 -2.582 -0.675 1.00 0.00 H new ATOM 0 HA HIS A 699 12.453 -2.617 1.530 1.00 0.00 H new ATOM 0 HB2 HIS A 699 11.526 -0.529 0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 699 9.885 -1.120 0.908 1.00 0.00 H new ATOM 0 HD1 HIS A 699 12.850 0.045 2.961 1.00 0.00 H new ATOM 0 HD2 HIS A 699 8.796 -0.886 3.464 1.00 0.00 H new ATOM 0 HE1 HIS A 699 12.219 0.819 5.299 1.00 0.00 H new ATOM 421 N GLN A 700 9.499 -3.999 1.867 1.00 0.00 N ATOM 422 CA GLN A 700 8.688 -4.845 2.734 1.00 0.00 C ATOM 423 C GLN A 700 9.484 -6.055 3.213 1.00 0.00 C ATOM 424 O GLN A 700 9.165 -6.654 4.240 1.00 0.00 O ATOM 425 CB GLN A 700 7.429 -5.307 1.999 1.00 0.00 C ATOM 426 CG GLN A 700 6.551 -4.162 1.520 1.00 0.00 C ATOM 427 CD GLN A 700 5.096 -4.564 1.373 1.00 0.00 C ATOM 428 OE1 GLN A 700 4.509 -5.157 2.279 1.00 0.00 O ATOM 429 NE2 GLN A 700 4.506 -4.244 0.228 1.00 0.00 N ATOM 0 H GLN A 700 9.112 -3.857 0.934 1.00 0.00 H new ATOM 0 HA GLN A 700 8.397 -4.257 3.604 1.00 0.00 H new ATOM 0 HB2 GLN A 700 7.721 -5.914 1.142 1.00 0.00 H new ATOM 0 HB3 GLN A 700 6.847 -5.949 2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 700 6.626 -3.333 2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 700 6.923 -3.801 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 700 5.030 -3.752 -0.496 1.00 0.00 H new ATOM 0 HE22 GLN A 700 3.528 -4.490 0.072 1.00 0.00 H new ATOM 438 N ARG A 701 10.521 -6.411 2.461 1.00 0.00 N ATOM 439 CA ARG A 701 11.361 -7.550 2.808 1.00 0.00 C ATOM 440 C ARG A 701 11.846 -7.449 4.251 1.00 0.00 C ATOM 441 O ARG A 701 11.840 -8.434 4.990 1.00 0.00 O ATOM 442 CB ARG A 701 12.559 -7.635 1.861 1.00 0.00 C ATOM 443 CG ARG A 701 12.171 -7.811 0.402 1.00 0.00 C ATOM 444 CD ARG A 701 11.355 -9.077 0.192 1.00 0.00 C ATOM 445 NE ARG A 701 9.923 -8.837 0.351 1.00 0.00 N ATOM 446 CZ ARG A 701 8.995 -9.767 0.156 1.00 0.00 C ATOM 447 NH1 ARG A 701 9.348 -10.994 -0.202 1.00 0.00 N ATOM 448 NH2 ARG A 701 7.712 -9.472 0.320 1.00 0.00 N ATOM 0 H ARG A 701 10.799 -5.926 1.608 1.00 0.00 H new ATOM 0 HA ARG A 701 10.762 -8.455 2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 701 13.157 -6.729 1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 701 13.192 -8.470 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 701 11.596 -6.947 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 701 13.070 -7.850 -0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 701 11.548 -9.472 -0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 701 11.676 -9.838 0.903 1.00 0.00 H new ATOM 0 HE ARG A 701 9.619 -7.903 0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 701 10.334 -11.225 -0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 701 8.634 -11.707 -0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 701 7.437 -8.530 0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 701 7.001 -10.188 0.170 1.00 0.00 H new ATOM 462 N VAL A 702 12.266 -6.252 4.646 1.00 0.00 N ATOM 463 CA VAL A 702 12.754 -6.021 6.001 1.00 0.00 C ATOM 464 C VAL A 702 11.742 -6.497 7.038 1.00 0.00 C ATOM 465 O VAL A 702 12.112 -6.911 8.137 1.00 0.00 O ATOM 466 CB VAL A 702 13.058 -4.531 6.242 1.00 0.00 C ATOM 467 CG1 VAL A 702 14.036 -4.010 5.201 1.00 0.00 C ATOM 468 CG2 VAL A 702 11.772 -3.717 6.232 1.00 0.00 C ATOM 0 H VAL A 702 12.278 -5.426 4.047 1.00 0.00 H new ATOM 0 HA VAL A 702 13.676 -6.593 6.107 1.00 0.00 H new ATOM 0 HB VAL A 702 13.520 -4.427 7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 702 14.239 -2.955 5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 702 14.966 -4.574 5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 702 13.605 -4.126 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 702 12.005 -2.666 6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 702 11.280 -3.826 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 702 11.109 -4.075 7.019 1.00 0.00 H new ATOM 478 N HIS A 703 10.463 -6.435 6.680 1.00 0.00 N ATOM 479 CA HIS A 703 9.397 -6.861 7.580 1.00 0.00 C ATOM 480 C HIS A 703 8.967 -8.292 7.273 1.00 0.00 C ATOM 481 O HIS A 703 9.203 -9.206 8.064 1.00 0.00 O ATOM 482 CB HIS A 703 8.198 -5.919 7.464 1.00 0.00 C ATOM 483 CG HIS A 703 8.569 -4.469 7.496 1.00 0.00 C ATOM 484 ND1 HIS A 703 9.065 -3.844 8.621 1.00 0.00 N ATOM 485 CD2 HIS A 703 8.517 -3.520 6.533 1.00 0.00 C ATOM 486 CE1 HIS A 703 9.299 -2.573 8.349 1.00 0.00 C ATOM 487 NE2 HIS A 703 8.976 -2.350 7.087 1.00 0.00 N ATOM 0 H HIS A 703 10.140 -6.094 5.774 1.00 0.00 H new ATOM 0 HA HIS A 703 9.779 -6.827 8.600 1.00 0.00 H new ATOM 0 HB2 HIS A 703 7.670 -6.130 6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 703 7.504 -6.126 8.279 1.00 0.00 H new ATOM 0 HD1 HIS A 703 9.226 -4.293 9.522 1.00 0.00 H new ATOM 0 HD2 HIS A 703 8.177 -3.657 5.517 1.00 0.00 H new ATOM 0 HE1 HIS A 703 9.688 -1.840 9.040 1.00 0.00 H new ATOM 495 N THR A 704 8.332 -8.480 6.120 1.00 0.00 N ATOM 496 CA THR A 704 7.867 -9.799 5.710 1.00 0.00 C ATOM 497 C THR A 704 8.951 -10.551 4.945 1.00 0.00 C ATOM 498 O THR A 704 9.827 -9.943 4.333 1.00 0.00 O ATOM 499 CB THR A 704 6.607 -9.702 4.830 1.00 0.00 C ATOM 500 OG1 THR A 704 6.130 -11.014 4.511 1.00 0.00 O ATOM 501 CG2 THR A 704 6.901 -8.938 3.547 1.00 0.00 C ATOM 0 H THR A 704 8.128 -7.735 5.454 1.00 0.00 H new ATOM 0 HA THR A 704 7.623 -10.346 6.621 1.00 0.00 H new ATOM 0 HB THR A 704 5.841 -9.163 5.388 1.00 0.00 H new ATOM 0 HG1 THR A 704 5.328 -10.944 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 704 5.996 -8.882 2.941 1.00 0.00 H new ATOM 0 HG22 THR A 704 7.236 -7.930 3.792 1.00 0.00 H new ATOM 0 HG23 THR A 704 7.681 -9.454 2.987 1.00 0.00 H new ATOM 509 N GLY A 705 8.884 -11.878 4.985 1.00 0.00 N ATOM 510 CA GLY A 705 9.866 -12.692 4.291 1.00 0.00 C ATOM 511 C GLY A 705 10.942 -13.220 5.219 1.00 0.00 C ATOM 512 O GLY A 705 12.082 -13.424 4.805 1.00 0.00 O ATOM 0 H GLY A 705 8.168 -12.404 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 705 9.363 -13.530 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 705 10.330 -12.101 3.501 1.00 0.00 H new ATOM 516 N GLU A 706 10.579 -13.440 6.479 1.00 0.00 N ATOM 517 CA GLU A 706 11.523 -13.945 7.468 1.00 0.00 C ATOM 518 C GLU A 706 11.543 -15.471 7.472 1.00 0.00 C ATOM 519 O GLU A 706 10.561 -16.118 7.106 1.00 0.00 O ATOM 520 CB GLU A 706 11.163 -13.426 8.862 1.00 0.00 C ATOM 521 CG GLU A 706 9.798 -13.884 9.348 1.00 0.00 C ATOM 522 CD GLU A 706 9.643 -13.764 10.852 1.00 0.00 C ATOM 523 OE1 GLU A 706 10.347 -12.927 11.455 1.00 0.00 O ATOM 524 OE2 GLU A 706 8.820 -14.507 11.425 1.00 0.00 O ATOM 0 H GLU A 706 9.638 -13.276 6.838 1.00 0.00 H new ATOM 0 HA GLU A 706 12.517 -13.586 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 706 11.922 -13.757 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 706 11.189 -12.336 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 706 9.025 -13.292 8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 706 9.640 -14.921 9.052 1.00 0.00 H new ATOM 531 N LYS A 707 12.670 -16.041 7.887 1.00 0.00 N ATOM 532 CA LYS A 707 12.820 -17.490 7.939 1.00 0.00 C ATOM 533 C LYS A 707 14.125 -17.877 8.627 1.00 0.00 C ATOM 534 O LYS A 707 15.052 -18.398 8.006 1.00 0.00 O ATOM 535 CB LYS A 707 12.782 -18.079 6.527 1.00 0.00 C ATOM 536 CG LYS A 707 12.389 -19.546 6.490 1.00 0.00 C ATOM 537 CD LYS A 707 10.883 -19.718 6.392 1.00 0.00 C ATOM 538 CE LYS A 707 10.509 -21.131 5.973 1.00 0.00 C ATOM 539 NZ LYS A 707 9.166 -21.524 6.481 1.00 0.00 N ATOM 0 H LYS A 707 13.493 -15.521 8.192 1.00 0.00 H new ATOM 0 HA LYS A 707 11.990 -17.895 8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 707 12.077 -17.507 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 707 13.764 -17.963 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 707 12.867 -20.030 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 707 12.755 -20.044 7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 707 10.426 -19.490 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 707 10.481 -19.005 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 707 10.521 -21.202 4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 707 11.257 -21.830 6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 8.949 -22.494 6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 9.162 -21.481 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 8.448 -20.872 6.105 1.00 0.00 H new ATOM 553 N PRO A 708 14.202 -17.619 9.941 1.00 0.00 N ATOM 554 CA PRO A 708 15.389 -17.934 10.742 1.00 0.00 C ATOM 555 C PRO A 708 15.581 -19.435 10.927 1.00 0.00 C ATOM 556 O PRO A 708 16.689 -19.951 10.779 1.00 0.00 O ATOM 557 CB PRO A 708 15.097 -17.263 12.087 1.00 0.00 C ATOM 558 CG PRO A 708 13.611 -17.190 12.160 1.00 0.00 C ATOM 559 CD PRO A 708 13.136 -16.999 10.746 1.00 0.00 C ATOM 0 HA PRO A 708 16.306 -17.586 10.266 1.00 0.00 H new ATOM 0 HB2 PRO A 708 15.506 -17.842 12.915 1.00 0.00 H new ATOM 0 HB3 PRO A 708 15.545 -16.271 12.140 1.00 0.00 H new ATOM 0 HG2 PRO A 708 13.196 -18.101 12.591 1.00 0.00 H new ATOM 0 HG3 PRO A 708 13.292 -16.363 12.794 1.00 0.00 H new ATOM 0 HD2 PRO A 708 12.173 -17.481 10.577 1.00 0.00 H new ATOM 0 HD3 PRO A 708 13.011 -15.944 10.503 1.00 0.00 H new ATOM 567 N SER A 709 14.496 -20.131 11.250 1.00 0.00 N ATOM 568 CA SER A 709 14.547 -21.574 11.458 1.00 0.00 C ATOM 569 C SER A 709 13.707 -22.303 10.414 1.00 0.00 C ATOM 570 O SER A 709 14.238 -23.001 9.551 1.00 0.00 O ATOM 571 CB SER A 709 14.052 -21.925 12.862 1.00 0.00 C ATOM 572 OG SER A 709 14.863 -21.320 13.855 1.00 0.00 O ATOM 0 H SER A 709 13.571 -19.720 11.373 1.00 0.00 H new ATOM 0 HA SER A 709 15.583 -21.895 11.354 1.00 0.00 H new ATOM 0 HB2 SER A 709 13.020 -21.595 12.980 1.00 0.00 H new ATOM 0 HB3 SER A 709 14.058 -23.007 12.993 1.00 0.00 H new ATOM 0 HG SER A 709 14.525 -21.558 14.743 1.00 0.00 H new ATOM 578 N GLY A 710 12.391 -22.135 10.499 1.00 0.00 N ATOM 579 CA GLY A 710 11.497 -22.783 9.556 1.00 0.00 C ATOM 580 C GLY A 710 11.166 -24.207 9.957 1.00 0.00 C ATOM 581 O GLY A 710 11.646 -25.170 9.359 1.00 0.00 O ATOM 0 H GLY A 710 11.928 -21.562 11.204 1.00 0.00 H new ATOM 0 HA2 GLY A 710 10.575 -22.207 9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 710 11.956 -22.784 8.567 1.00 0.00 H new ATOM 585 N PRO A 711 10.327 -24.354 10.993 1.00 0.00 N ATOM 586 CA PRO A 711 9.914 -25.667 11.497 1.00 0.00 C ATOM 587 C PRO A 711 8.996 -26.399 10.523 1.00 0.00 C ATOM 588 O PRO A 711 8.893 -27.625 10.555 1.00 0.00 O ATOM 589 CB PRO A 711 9.165 -25.332 12.789 1.00 0.00 C ATOM 590 CG PRO A 711 8.677 -23.938 12.593 1.00 0.00 C ATOM 591 CD PRO A 711 9.717 -23.250 11.752 1.00 0.00 C ATOM 0 HA PRO A 711 10.764 -26.334 11.642 1.00 0.00 H new ATOM 0 HB2 PRO A 711 8.337 -26.021 12.957 1.00 0.00 H new ATOM 0 HB3 PRO A 711 9.821 -25.404 13.657 1.00 0.00 H new ATOM 0 HG2 PRO A 711 7.706 -23.930 12.097 1.00 0.00 H new ATOM 0 HG3 PRO A 711 8.550 -23.431 13.549 1.00 0.00 H new ATOM 0 HD2 PRO A 711 9.272 -22.506 11.091 1.00 0.00 H new ATOM 0 HD3 PRO A 711 10.452 -22.731 12.367 1.00 0.00 H new ATOM 599 N SER A 712 8.332 -25.639 9.659 1.00 0.00 N ATOM 600 CA SER A 712 7.419 -26.216 8.678 1.00 0.00 C ATOM 601 C SER A 712 8.036 -26.191 7.282 1.00 0.00 C ATOM 602 O SER A 712 7.606 -25.430 6.416 1.00 0.00 O ATOM 603 CB SER A 712 6.092 -25.454 8.675 1.00 0.00 C ATOM 604 OG SER A 712 5.051 -26.248 8.133 1.00 0.00 O ATOM 0 H SER A 712 8.408 -24.623 9.618 1.00 0.00 H new ATOM 0 HA SER A 712 7.233 -27.253 8.956 1.00 0.00 H new ATOM 0 HB2 SER A 712 5.836 -25.158 9.692 1.00 0.00 H new ATOM 0 HB3 SER A 712 6.196 -24.538 8.093 1.00 0.00 H new ATOM 0 HG SER A 712 4.213 -25.740 8.143 1.00 0.00 H new ATOM 610 N SER A 713 9.045 -27.030 7.073 1.00 0.00 N ATOM 611 CA SER A 713 9.724 -27.103 5.785 1.00 0.00 C ATOM 612 C SER A 713 8.772 -27.586 4.696 1.00 0.00 C ATOM 613 O SER A 713 8.628 -26.949 3.653 1.00 0.00 O ATOM 614 CB SER A 713 10.933 -28.037 5.873 1.00 0.00 C ATOM 615 OG SER A 713 11.575 -28.161 4.616 1.00 0.00 O ATOM 0 H SER A 713 9.410 -27.669 7.779 1.00 0.00 H new ATOM 0 HA SER A 713 10.067 -26.101 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 713 11.639 -27.654 6.609 1.00 0.00 H new ATOM 0 HB3 SER A 713 10.613 -29.020 6.220 1.00 0.00 H new ATOM 0 HG SER A 713 12.345 -28.762 4.700 1.00 0.00 H new ATOM 621 N GLY A 714 8.123 -28.720 4.946 1.00 0.00 N ATOM 622 CA GLY A 714 7.192 -29.271 3.978 1.00 0.00 C ATOM 623 C GLY A 714 6.240 -30.275 4.596 1.00 0.00 C ATOM 624 O GLY A 714 6.681 -31.352 4.994 1.00 0.00 O ATOM 0 H GLY A 714 8.225 -29.266 5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 714 6.619 -28.461 3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 714 7.750 -29.751 3.174 1.00 0.00 H new TER 628 GLY A 714 HETATM 629 ZN ZN A 201 9.004 -0.429 6.295 1.00 0.00 ZN