USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=15 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 707 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 709 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 679 LYS NZ :NH3+ -139:sc= -0.192 (180deg=0) USER MOD Set 2.2: A 682 GLN : amide:sc= -3.35! C(o=-3.5!,f=-4.4!) USER MOD Single : A 670 SER OG : rot 33:sc= 0.625 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 180:sc= 0 USER MOD Single : A 676 THR OG1 : rot 51:sc= 0.0067 USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 ASN : amide:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 688 LYS NZ :NH3+ -176:sc= 0.696 (180deg=0.646) USER MOD Single : A 691 SER OG : rot 180:sc= 0 USER MOD Single : A 692 GLN : amide:sc= -0.0526 K(o=-0.053,f=-1.4!) USER MOD Single : A 693 THR OG1 : rot 180:sc= 0.049 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 K(o=0,f=-0.93) USER MOD Single : A 704 THR OG1 : rot -7:sc= 0.484 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 -25.179 22.613 16.875 1.00 0.00 N ATOM 2 CA GLY A 669 -24.363 21.477 16.490 1.00 0.00 C ATOM 3 C GLY A 669 -23.547 21.746 15.241 1.00 0.00 C ATOM 4 O GLY A 669 -23.540 22.864 14.725 1.00 0.00 O ATOM 0 HA2 GLY A 669 -23.692 21.221 17.310 1.00 0.00 H new ATOM 0 HA3 GLY A 669 -25.005 20.613 16.321 1.00 0.00 H new ATOM 8 N SER A 670 -22.856 20.720 14.755 1.00 0.00 N ATOM 9 CA SER A 670 -22.027 20.853 13.562 1.00 0.00 C ATOM 10 C SER A 670 -21.769 19.491 12.925 1.00 0.00 C ATOM 11 O SER A 670 -21.112 18.632 13.514 1.00 0.00 O ATOM 12 CB SER A 670 -20.698 21.526 13.911 1.00 0.00 C ATOM 13 OG SER A 670 -19.981 20.770 14.872 1.00 0.00 O ATOM 0 H SER A 670 -22.854 19.788 15.169 1.00 0.00 H new ATOM 0 HA SER A 670 -22.563 21.474 12.845 1.00 0.00 H new ATOM 0 HB2 SER A 670 -20.096 21.639 13.009 1.00 0.00 H new ATOM 0 HB3 SER A 670 -20.884 22.528 14.297 1.00 0.00 H new ATOM 0 HG SER A 670 -20.162 19.816 14.739 1.00 0.00 H new ATOM 19 N SER A 671 -22.292 19.301 11.718 1.00 0.00 N ATOM 20 CA SER A 671 -22.123 18.042 11.002 1.00 0.00 C ATOM 21 C SER A 671 -21.360 18.258 9.698 1.00 0.00 C ATOM 22 O SER A 671 -21.717 19.116 8.892 1.00 0.00 O ATOM 23 CB SER A 671 -23.485 17.409 10.710 1.00 0.00 C ATOM 24 OG SER A 671 -23.440 16.621 9.533 1.00 0.00 O ATOM 0 H SER A 671 -22.836 20.002 11.216 1.00 0.00 H new ATOM 0 HA SER A 671 -21.546 17.368 11.634 1.00 0.00 H new ATOM 0 HB2 SER A 671 -23.790 16.790 11.554 1.00 0.00 H new ATOM 0 HB3 SER A 671 -24.237 18.191 10.599 1.00 0.00 H new ATOM 0 HG SER A 671 -24.322 16.227 9.369 1.00 0.00 H new ATOM 30 N GLY A 672 -20.307 17.471 9.499 1.00 0.00 N ATOM 31 CA GLY A 672 -19.509 17.591 8.292 1.00 0.00 C ATOM 32 C GLY A 672 -18.056 17.224 8.519 1.00 0.00 C ATOM 33 O GLY A 672 -17.261 18.054 8.961 1.00 0.00 O ATOM 0 H GLY A 672 -19.992 16.753 10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 672 -19.927 16.947 7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 672 -19.568 18.614 7.921 1.00 0.00 H new ATOM 37 N SER A 673 -17.708 15.978 8.217 1.00 0.00 N ATOM 38 CA SER A 673 -16.341 15.501 8.396 1.00 0.00 C ATOM 39 C SER A 673 -16.000 14.430 7.365 1.00 0.00 C ATOM 40 O SER A 673 -16.848 13.621 6.990 1.00 0.00 O ATOM 41 CB SER A 673 -16.154 14.944 9.809 1.00 0.00 C ATOM 42 OG SER A 673 -14.802 15.047 10.222 1.00 0.00 O ATOM 0 H SER A 673 -18.353 15.280 7.847 1.00 0.00 H new ATOM 0 HA SER A 673 -15.666 16.345 8.254 1.00 0.00 H new ATOM 0 HB2 SER A 673 -16.793 15.487 10.505 1.00 0.00 H new ATOM 0 HB3 SER A 673 -16.468 13.900 9.837 1.00 0.00 H new ATOM 0 HG SER A 673 -14.708 14.686 11.128 1.00 0.00 H new ATOM 48 N SER A 674 -14.751 14.432 6.910 1.00 0.00 N ATOM 49 CA SER A 674 -14.297 13.464 5.919 1.00 0.00 C ATOM 50 C SER A 674 -12.800 13.206 6.058 1.00 0.00 C ATOM 51 O SER A 674 -11.980 14.083 5.789 1.00 0.00 O ATOM 52 CB SER A 674 -14.611 13.962 4.507 1.00 0.00 C ATOM 53 OG SER A 674 -14.561 15.377 4.442 1.00 0.00 O ATOM 0 H SER A 674 -14.036 15.093 7.212 1.00 0.00 H new ATOM 0 HA SER A 674 -14.827 12.528 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 674 -13.897 13.537 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 674 -15.600 13.616 4.208 1.00 0.00 H new ATOM 0 HG SER A 674 -14.764 15.670 3.529 1.00 0.00 H new ATOM 59 N GLY A 675 -12.451 11.994 6.480 1.00 0.00 N ATOM 60 CA GLY A 675 -11.054 11.641 6.648 1.00 0.00 C ATOM 61 C GLY A 675 -10.846 10.145 6.786 1.00 0.00 C ATOM 62 O GLY A 675 -10.252 9.680 7.759 1.00 0.00 O ATOM 0 H GLY A 675 -13.111 11.251 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 675 -10.485 12.006 5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 675 -10.659 12.143 7.532 1.00 0.00 H new ATOM 66 N THR A 676 -11.339 9.389 5.810 1.00 0.00 N ATOM 67 CA THR A 676 -11.207 7.937 5.828 1.00 0.00 C ATOM 68 C THR A 676 -10.252 7.458 4.741 1.00 0.00 C ATOM 69 O THR A 676 -10.615 7.395 3.567 1.00 0.00 O ATOM 70 CB THR A 676 -12.571 7.247 5.639 1.00 0.00 C ATOM 71 OG1 THR A 676 -13.360 7.973 4.689 1.00 0.00 O ATOM 72 CG2 THR A 676 -13.318 7.153 6.961 1.00 0.00 C ATOM 0 H THR A 676 -11.833 9.758 4.997 1.00 0.00 H new ATOM 0 HA THR A 676 -10.805 7.668 6.805 1.00 0.00 H new ATOM 0 HB THR A 676 -12.394 6.238 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 676 -12.834 8.127 3.877 1.00 0.00 H new ATOM 0 HG21 THR A 676 -14.278 6.662 6.802 1.00 0.00 H new ATOM 0 HG22 THR A 676 -12.728 6.575 7.672 1.00 0.00 H new ATOM 0 HG23 THR A 676 -13.484 8.155 7.357 1.00 0.00 H new ATOM 80 N GLY A 677 -9.030 7.120 5.139 1.00 0.00 N ATOM 81 CA GLY A 677 -8.042 6.651 4.186 1.00 0.00 C ATOM 82 C GLY A 677 -6.714 7.367 4.326 1.00 0.00 C ATOM 83 O GLY A 677 -6.669 8.593 4.424 1.00 0.00 O ATOM 0 H GLY A 677 -8.706 7.163 6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 677 -7.890 5.580 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 677 -8.422 6.792 3.174 1.00 0.00 H new ATOM 87 N GLY A 678 -5.627 6.600 4.338 1.00 0.00 N ATOM 88 CA GLY A 678 -4.307 7.187 4.470 1.00 0.00 C ATOM 89 C GLY A 678 -3.200 6.162 4.324 1.00 0.00 C ATOM 90 O GLY A 678 -3.232 5.106 4.957 1.00 0.00 O ATOM 0 H GLY A 678 -5.638 5.583 4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -4.181 7.964 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -4.224 7.671 5.443 1.00 0.00 H new ATOM 94 N LYS A 679 -2.216 6.471 3.486 1.00 0.00 N ATOM 95 CA LYS A 679 -1.094 5.569 3.257 1.00 0.00 C ATOM 96 C LYS A 679 -1.578 4.215 2.748 1.00 0.00 C ATOM 97 O LYS A 679 -1.527 3.206 3.452 1.00 0.00 O ATOM 98 CB LYS A 679 -0.291 5.384 4.546 1.00 0.00 C ATOM 99 CG LYS A 679 0.435 6.639 4.997 1.00 0.00 C ATOM 100 CD LYS A 679 0.668 6.640 6.499 1.00 0.00 C ATOM 101 CE LYS A 679 1.908 5.842 6.871 1.00 0.00 C ATOM 102 NZ LYS A 679 3.132 6.690 6.875 1.00 0.00 N ATOM 0 H LYS A 679 -2.173 7.340 2.954 1.00 0.00 H new ATOM 0 HA LYS A 679 -0.452 6.014 2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -0.964 5.059 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 679 0.437 4.586 4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 679 1.392 6.713 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -0.147 7.517 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 679 0.775 7.666 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -0.202 6.219 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 679 1.771 5.397 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 679 2.037 5.021 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 3.921 6.163 6.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 2.957 7.555 6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 3.374 6.945 7.854 1.00 0.00 H new ATOM 116 N PRO A 680 -2.058 4.190 1.496 1.00 0.00 N ATOM 117 CA PRO A 680 -2.559 2.966 0.864 1.00 0.00 C ATOM 118 C PRO A 680 -1.443 1.971 0.561 1.00 0.00 C ATOM 119 O PRO A 680 -1.570 0.778 0.835 1.00 0.00 O ATOM 120 CB PRO A 680 -3.193 3.470 -0.434 1.00 0.00 C ATOM 121 CG PRO A 680 -2.482 4.744 -0.734 1.00 0.00 C ATOM 122 CD PRO A 680 -2.148 5.355 0.599 1.00 0.00 C ATOM 0 HA PRO A 680 -3.251 2.428 1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 680 -3.069 2.748 -1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 680 -4.264 3.633 -0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -1.579 4.559 -1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 680 -3.110 5.412 -1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.209 5.908 0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -2.918 6.054 0.925 1.00 0.00 H new ATOM 130 N TYR A 681 -0.350 2.471 -0.004 1.00 0.00 N ATOM 131 CA TYR A 681 0.788 1.626 -0.347 1.00 0.00 C ATOM 132 C TYR A 681 1.992 1.952 0.532 1.00 0.00 C ATOM 133 O TYR A 681 2.841 1.096 0.781 1.00 0.00 O ATOM 134 CB TYR A 681 1.156 1.801 -1.821 1.00 0.00 C ATOM 135 CG TYR A 681 1.515 3.223 -2.190 1.00 0.00 C ATOM 136 CD1 TYR A 681 2.802 3.708 -1.995 1.00 0.00 C ATOM 137 CD2 TYR A 681 0.567 4.081 -2.734 1.00 0.00 C ATOM 138 CE1 TYR A 681 3.134 5.007 -2.330 1.00 0.00 C ATOM 139 CE2 TYR A 681 0.891 5.381 -3.073 1.00 0.00 C ATOM 140 CZ TYR A 681 2.176 5.839 -2.869 1.00 0.00 C ATOM 141 OH TYR A 681 2.502 7.133 -3.205 1.00 0.00 O ATOM 0 H TYR A 681 -0.228 3.457 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 681 0.503 0.588 -0.173 1.00 0.00 H new ATOM 0 HB2 TYR A 681 1.998 1.150 -2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 681 0.318 1.475 -2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 681 3.556 3.059 -1.574 1.00 0.00 H new ATOM 0 HD2 TYR A 681 -0.440 3.726 -2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 681 4.139 5.369 -2.170 1.00 0.00 H new ATOM 0 HE2 TYR A 681 0.142 6.035 -3.495 1.00 0.00 H new ATOM 0 HH TYR A 681 1.714 7.584 -3.573 1.00 0.00 H new ATOM 151 N GLN A 682 2.057 3.194 0.998 1.00 0.00 N ATOM 152 CA GLN A 682 3.157 3.634 1.849 1.00 0.00 C ATOM 153 C GLN A 682 3.342 2.689 3.031 1.00 0.00 C ATOM 154 O GLN A 682 2.388 2.374 3.743 1.00 0.00 O ATOM 155 CB GLN A 682 2.903 5.056 2.352 1.00 0.00 C ATOM 156 CG GLN A 682 3.967 5.560 3.313 1.00 0.00 C ATOM 157 CD GLN A 682 3.911 7.062 3.511 1.00 0.00 C ATOM 158 OE1 GLN A 682 3.195 7.767 2.800 1.00 0.00 O ATOM 159 NE2 GLN A 682 4.668 7.561 4.482 1.00 0.00 N ATOM 0 H GLN A 682 1.362 3.914 0.801 1.00 0.00 H new ATOM 0 HA GLN A 682 4.070 3.625 1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 682 2.848 5.730 1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 682 1.933 5.089 2.847 1.00 0.00 H new ATOM 0 HG2 GLN A 682 3.844 5.066 4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 682 4.952 5.284 2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 682 5.247 6.940 5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 682 4.670 8.565 4.662 1.00 0.00 H new ATOM 168 N CYS A 683 4.576 2.239 3.235 1.00 0.00 N ATOM 169 CA CYS A 683 4.887 1.329 4.331 1.00 0.00 C ATOM 170 C CYS A 683 4.370 1.878 5.657 1.00 0.00 C ATOM 171 O CYS A 683 4.643 3.023 6.015 1.00 0.00 O ATOM 172 CB CYS A 683 6.397 1.097 4.415 1.00 0.00 C ATOM 173 SG CYS A 683 6.890 -0.146 5.652 1.00 0.00 S ATOM 0 H CYS A 683 5.377 2.490 2.655 1.00 0.00 H new ATOM 0 HA CYS A 683 4.391 0.379 4.134 1.00 0.00 H new ATOM 0 HB2 CYS A 683 6.761 0.784 3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 683 6.887 2.042 4.650 1.00 0.00 H new ATOM 178 N ASN A 684 3.623 1.052 6.382 1.00 0.00 N ATOM 179 CA ASN A 684 3.068 1.454 7.670 1.00 0.00 C ATOM 180 C ASN A 684 3.843 0.818 8.819 1.00 0.00 C ATOM 181 O ASN A 684 3.882 1.354 9.926 1.00 0.00 O ATOM 182 CB ASN A 684 1.592 1.062 7.756 1.00 0.00 C ATOM 183 CG ASN A 684 0.818 1.444 6.509 1.00 0.00 C ATOM 184 OD1 ASN A 684 0.671 0.643 5.587 1.00 0.00 O ATOM 185 ND2 ASN A 684 0.319 2.675 6.476 1.00 0.00 N ATOM 0 H ASN A 684 3.388 0.100 6.100 1.00 0.00 H new ATOM 0 HA ASN A 684 3.155 2.537 7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 684 1.513 -0.014 7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 684 1.141 1.545 8.623 1.00 0.00 H new ATOM 0 HD21 ASN A 684 -0.211 2.989 5.663 1.00 0.00 H new ATOM 0 HD22 ASN A 684 0.466 3.306 7.264 1.00 0.00 H new ATOM 192 N GLU A 685 4.459 -0.329 8.547 1.00 0.00 N ATOM 193 CA GLU A 685 5.233 -1.038 9.560 1.00 0.00 C ATOM 194 C GLU A 685 6.253 -0.111 10.214 1.00 0.00 C ATOM 195 O GLU A 685 6.373 -0.066 11.438 1.00 0.00 O ATOM 196 CB GLU A 685 5.946 -2.241 8.938 1.00 0.00 C ATOM 197 CG GLU A 685 5.022 -3.411 8.644 1.00 0.00 C ATOM 198 CD GLU A 685 4.819 -4.311 9.847 1.00 0.00 C ATOM 199 OE1 GLU A 685 3.910 -4.026 10.655 1.00 0.00 O ATOM 200 OE2 GLU A 685 5.569 -5.301 9.980 1.00 0.00 O ATOM 0 H GLU A 685 4.437 -0.786 7.635 1.00 0.00 H new ATOM 0 HA GLU A 685 4.543 -1.389 10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 685 6.428 -1.928 8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 685 6.736 -2.573 9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 685 4.056 -3.031 8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 685 5.434 -3.997 7.822 1.00 0.00 H new ATOM 207 N CYS A 686 6.986 0.628 9.388 1.00 0.00 N ATOM 208 CA CYS A 686 7.997 1.555 9.884 1.00 0.00 C ATOM 209 C CYS A 686 7.614 2.998 9.568 1.00 0.00 C ATOM 210 O CYS A 686 8.024 3.926 10.263 1.00 0.00 O ATOM 211 CB CYS A 686 9.361 1.231 9.270 1.00 0.00 C ATOM 212 SG CYS A 686 9.478 1.591 7.488 1.00 0.00 S ATOM 0 H CYS A 686 6.899 0.603 8.372 1.00 0.00 H new ATOM 0 HA CYS A 686 8.057 1.443 10.967 1.00 0.00 H new ATOM 0 HB2 CYS A 686 10.128 1.799 9.796 1.00 0.00 H new ATOM 0 HB3 CYS A 686 9.579 0.175 9.432 1.00 0.00 H new ATOM 217 N GLY A 687 6.825 3.177 8.512 1.00 0.00 N ATOM 218 CA GLY A 687 6.400 4.509 8.122 1.00 0.00 C ATOM 219 C GLY A 687 7.343 5.149 7.123 1.00 0.00 C ATOM 220 O GLY A 687 7.841 6.253 7.346 1.00 0.00 O ATOM 0 H GLY A 687 6.473 2.424 7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 687 5.400 4.456 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 687 6.332 5.140 9.009 1.00 0.00 H new ATOM 224 N LYS A 688 7.590 4.455 6.017 1.00 0.00 N ATOM 225 CA LYS A 688 8.480 4.961 4.979 1.00 0.00 C ATOM 226 C LYS A 688 7.797 4.932 3.615 1.00 0.00 C ATOM 227 O LYS A 688 7.101 3.974 3.280 1.00 0.00 O ATOM 228 CB LYS A 688 9.768 4.135 4.934 1.00 0.00 C ATOM 229 CG LYS A 688 10.917 4.837 4.233 1.00 0.00 C ATOM 230 CD LYS A 688 12.089 3.897 4.005 1.00 0.00 C ATOM 231 CE LYS A 688 13.220 4.588 3.259 1.00 0.00 C ATOM 232 NZ LYS A 688 14.170 3.608 2.662 1.00 0.00 N ATOM 0 H LYS A 688 7.186 3.540 5.817 1.00 0.00 H new ATOM 0 HA LYS A 688 8.727 5.995 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 688 10.069 3.892 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 688 9.567 3.191 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 688 10.574 5.231 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 688 11.243 5.688 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 688 12.455 3.530 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 688 11.755 3.028 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 688 12.805 5.217 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 688 13.758 5.245 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 14.962 4.117 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 14.534 2.980 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 13.678 3.042 1.942 1.00 0.00 H new ATOM 246 N ALA A 689 8.003 5.986 2.832 1.00 0.00 N ATOM 247 CA ALA A 689 7.410 6.078 1.504 1.00 0.00 C ATOM 248 C ALA A 689 8.485 6.091 0.423 1.00 0.00 C ATOM 249 O ALA A 689 9.610 6.532 0.657 1.00 0.00 O ATOM 250 CB ALA A 689 6.539 7.322 1.400 1.00 0.00 C ATOM 0 H ALA A 689 8.576 6.788 3.095 1.00 0.00 H new ATOM 0 HA ALA A 689 6.787 5.197 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 689 6.102 7.378 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 689 5.743 7.272 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 689 7.147 8.208 1.580 1.00 0.00 H new ATOM 256 N PHE A 690 8.132 5.605 -0.762 1.00 0.00 N ATOM 257 CA PHE A 690 9.067 5.559 -1.880 1.00 0.00 C ATOM 258 C PHE A 690 8.464 6.208 -3.122 1.00 0.00 C ATOM 259 O PHE A 690 7.264 6.480 -3.172 1.00 0.00 O ATOM 260 CB PHE A 690 9.458 4.112 -2.186 1.00 0.00 C ATOM 261 CG PHE A 690 10.260 3.463 -1.094 1.00 0.00 C ATOM 262 CD1 PHE A 690 9.665 3.116 0.108 1.00 0.00 C ATOM 263 CD2 PHE A 690 11.610 3.201 -1.270 1.00 0.00 C ATOM 264 CE1 PHE A 690 10.401 2.520 1.114 1.00 0.00 C ATOM 265 CE2 PHE A 690 12.351 2.605 -0.267 1.00 0.00 C ATOM 266 CZ PHE A 690 11.745 2.263 0.926 1.00 0.00 C ATOM 0 H PHE A 690 7.204 5.237 -0.973 1.00 0.00 H new ATOM 0 HA PHE A 690 9.959 6.118 -1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 690 8.554 3.528 -2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 690 10.033 4.088 -3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 690 8.614 3.314 0.260 1.00 0.00 H new ATOM 0 HD2 PHE A 690 12.088 3.466 -2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 690 9.926 2.255 2.047 1.00 0.00 H new ATOM 0 HE2 PHE A 690 13.402 2.407 -0.416 1.00 0.00 H new ATOM 0 HZ PHE A 690 12.321 1.795 1.711 1.00 0.00 H new ATOM 276 N SER A 691 9.304 6.455 -4.121 1.00 0.00 N ATOM 277 CA SER A 691 8.856 7.077 -5.362 1.00 0.00 C ATOM 278 C SER A 691 7.820 6.203 -6.063 1.00 0.00 C ATOM 279 O SER A 691 6.732 6.666 -6.404 1.00 0.00 O ATOM 280 CB SER A 691 10.045 7.325 -6.292 1.00 0.00 C ATOM 281 OG SER A 691 11.043 8.098 -5.648 1.00 0.00 O ATOM 0 H SER A 691 10.299 6.234 -4.096 1.00 0.00 H new ATOM 0 HA SER A 691 8.393 8.032 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 691 10.467 6.372 -6.610 1.00 0.00 H new ATOM 0 HB3 SER A 691 9.706 7.839 -7.191 1.00 0.00 H new ATOM 0 HG SER A 691 11.793 8.241 -6.262 1.00 0.00 H new ATOM 287 N GLN A 692 8.168 4.938 -6.276 1.00 0.00 N ATOM 288 CA GLN A 692 7.270 4.000 -6.937 1.00 0.00 C ATOM 289 C GLN A 692 7.000 2.788 -6.052 1.00 0.00 C ATOM 290 O GLN A 692 7.727 2.533 -5.091 1.00 0.00 O ATOM 291 CB GLN A 692 7.863 3.549 -8.273 1.00 0.00 C ATOM 292 CG GLN A 692 7.740 4.588 -9.376 1.00 0.00 C ATOM 293 CD GLN A 692 6.329 4.697 -9.920 1.00 0.00 C ATOM 294 OE1 GLN A 692 5.542 3.755 -9.829 1.00 0.00 O ATOM 295 NE2 GLN A 692 6.002 5.851 -10.490 1.00 0.00 N ATOM 0 H GLN A 692 9.066 4.540 -6.000 1.00 0.00 H new ATOM 0 HA GLN A 692 6.324 4.510 -7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 692 8.916 3.306 -8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 692 7.365 2.633 -8.591 1.00 0.00 H new ATOM 0 HG2 GLN A 692 8.053 5.559 -8.992 1.00 0.00 H new ATOM 0 HG3 GLN A 692 8.420 4.332 -10.189 1.00 0.00 H new ATOM 0 HE21 GLN A 692 6.686 6.605 -10.544 1.00 0.00 H new ATOM 0 HE22 GLN A 692 5.066 5.983 -10.874 1.00 0.00 H new ATOM 304 N THR A 693 5.949 2.043 -6.381 1.00 0.00 N ATOM 305 CA THR A 693 5.582 0.859 -5.615 1.00 0.00 C ATOM 306 C THR A 693 6.536 -0.296 -5.897 1.00 0.00 C ATOM 307 O THR A 693 6.721 -1.180 -5.060 1.00 0.00 O ATOM 308 CB THR A 693 4.143 0.409 -5.930 1.00 0.00 C ATOM 309 OG1 THR A 693 3.866 0.595 -7.322 1.00 0.00 O ATOM 310 CG2 THR A 693 3.138 1.192 -5.098 1.00 0.00 C ATOM 0 H THR A 693 5.337 2.239 -7.173 1.00 0.00 H new ATOM 0 HA THR A 693 5.647 1.132 -4.562 1.00 0.00 H new ATOM 0 HB THR A 693 4.052 -0.648 -5.680 1.00 0.00 H new ATOM 0 HG1 THR A 693 2.950 0.305 -7.515 1.00 0.00 H new ATOM 0 HG21 THR A 693 2.129 0.857 -5.337 1.00 0.00 H new ATOM 0 HG22 THR A 693 3.334 1.025 -4.039 1.00 0.00 H new ATOM 0 HG23 THR A 693 3.230 2.255 -5.321 1.00 0.00 H new ATOM 318 N SER A 694 7.141 -0.283 -7.081 1.00 0.00 N ATOM 319 CA SER A 694 8.074 -1.332 -7.474 1.00 0.00 C ATOM 320 C SER A 694 9.156 -1.521 -6.416 1.00 0.00 C ATOM 321 O SER A 694 9.341 -2.619 -5.889 1.00 0.00 O ATOM 322 CB SER A 694 8.716 -0.993 -8.821 1.00 0.00 C ATOM 323 OG SER A 694 7.739 -0.900 -9.843 1.00 0.00 O ATOM 0 H SER A 694 7.001 0.442 -7.784 1.00 0.00 H new ATOM 0 HA SER A 694 7.516 -2.264 -7.569 1.00 0.00 H new ATOM 0 HB2 SER A 694 9.256 -0.049 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 694 9.447 -1.758 -9.081 1.00 0.00 H new ATOM 0 HG SER A 694 8.175 -0.681 -10.693 1.00 0.00 H new ATOM 329 N LYS A 695 9.870 -0.443 -6.109 1.00 0.00 N ATOM 330 CA LYS A 695 10.934 -0.487 -5.113 1.00 0.00 C ATOM 331 C LYS A 695 10.361 -0.687 -3.713 1.00 0.00 C ATOM 332 O LYS A 695 10.977 -1.334 -2.865 1.00 0.00 O ATOM 333 CB LYS A 695 11.757 0.801 -5.158 1.00 0.00 C ATOM 334 CG LYS A 695 12.548 0.973 -6.444 1.00 0.00 C ATOM 335 CD LYS A 695 11.704 1.608 -7.537 1.00 0.00 C ATOM 336 CE LYS A 695 12.572 2.241 -8.614 1.00 0.00 C ATOM 337 NZ LYS A 695 11.769 3.058 -9.564 1.00 0.00 N ATOM 0 H LYS A 695 9.731 0.473 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 695 11.581 -1.333 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 695 11.089 1.654 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 695 12.446 0.812 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 695 13.424 1.593 -6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 695 12.911 0.002 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 695 11.059 0.852 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 695 11.052 2.365 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 695 13.331 2.869 -8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 695 13.098 1.460 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 695 12.397 3.472 -10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 695 11.062 2.454 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 695 11.287 3.820 -9.045 1.00 0.00 H new ATOM 351 N LEU A 696 9.177 -0.131 -3.478 1.00 0.00 N ATOM 352 CA LEU A 696 8.520 -0.250 -2.181 1.00 0.00 C ATOM 353 C LEU A 696 8.370 -1.713 -1.779 1.00 0.00 C ATOM 354 O LEU A 696 8.602 -2.077 -0.627 1.00 0.00 O ATOM 355 CB LEU A 696 7.147 0.424 -2.220 1.00 0.00 C ATOM 356 CG LEU A 696 6.217 0.120 -1.045 1.00 0.00 C ATOM 357 CD1 LEU A 696 6.779 0.700 0.244 1.00 0.00 C ATOM 358 CD2 LEU A 696 4.823 0.666 -1.314 1.00 0.00 C ATOM 0 H LEU A 696 8.653 0.406 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 696 9.142 0.249 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 696 7.295 1.503 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.645 0.128 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 696 6.146 -0.962 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 696 6.104 0.474 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 696 7.757 0.262 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 696 6.880 1.781 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 696 4.174 0.441 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 696 4.876 1.746 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 696 4.419 0.203 -2.214 1.00 0.00 H new ATOM 370 N ALA A 697 7.982 -2.548 -2.738 1.00 0.00 N ATOM 371 CA ALA A 697 7.805 -3.973 -2.484 1.00 0.00 C ATOM 372 C ALA A 697 9.065 -4.584 -1.883 1.00 0.00 C ATOM 373 O ALA A 697 8.997 -5.352 -0.923 1.00 0.00 O ATOM 374 CB ALA A 697 7.427 -4.694 -3.770 1.00 0.00 C ATOM 0 H ALA A 697 7.784 -2.262 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 697 6.997 -4.091 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 697 7.298 -5.757 -3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 697 6.495 -4.283 -4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 697 8.217 -4.559 -4.508 1.00 0.00 H new ATOM 380 N ARG A 698 10.215 -4.239 -2.453 1.00 0.00 N ATOM 381 CA ARG A 698 11.491 -4.756 -1.974 1.00 0.00 C ATOM 382 C ARG A 698 11.724 -4.364 -0.518 1.00 0.00 C ATOM 383 O ARG A 698 12.293 -5.132 0.260 1.00 0.00 O ATOM 384 CB ARG A 698 12.636 -4.234 -2.843 1.00 0.00 C ATOM 385 CG ARG A 698 12.414 -4.441 -4.332 1.00 0.00 C ATOM 386 CD ARG A 698 12.259 -5.915 -4.673 1.00 0.00 C ATOM 387 NE ARG A 698 13.483 -6.668 -4.411 1.00 0.00 N ATOM 388 CZ ARG A 698 13.701 -7.897 -4.867 1.00 0.00 C ATOM 389 NH1 ARG A 698 12.783 -8.507 -5.603 1.00 0.00 N ATOM 390 NH2 ARG A 698 14.840 -8.517 -4.586 1.00 0.00 N ATOM 0 H ARG A 698 10.289 -3.603 -3.247 1.00 0.00 H new ATOM 0 HA ARG A 698 11.461 -5.844 -2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 698 12.772 -3.170 -2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 698 13.560 -4.732 -2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 698 11.523 -3.898 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 698 13.254 -4.024 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 698 11.441 -6.338 -4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 698 11.988 -6.018 -5.724 1.00 0.00 H new ATOM 0 HE ARG A 698 14.210 -6.227 -3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 698 11.906 -8.033 -5.821 1.00 0.00 H new ATOM 0 HH12 ARG A 698 12.953 -9.450 -5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 698 15.549 -8.050 -4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 698 15.007 -9.460 -4.936 1.00 0.00 H new ATOM 404 N HIS A 699 11.281 -3.165 -0.155 1.00 0.00 N ATOM 405 CA HIS A 699 11.441 -2.671 1.208 1.00 0.00 C ATOM 406 C HIS A 699 10.606 -3.492 2.185 1.00 0.00 C ATOM 407 O HIS A 699 10.992 -3.683 3.338 1.00 0.00 O ATOM 408 CB HIS A 699 11.040 -1.197 1.289 1.00 0.00 C ATOM 409 CG HIS A 699 11.002 -0.663 2.688 1.00 0.00 C ATOM 410 ND1 HIS A 699 12.125 -0.221 3.355 1.00 0.00 N ATOM 411 CD2 HIS A 699 9.968 -0.499 3.546 1.00 0.00 C ATOM 412 CE1 HIS A 699 11.784 0.189 4.564 1.00 0.00 C ATOM 413 NE2 HIS A 699 10.480 0.032 4.704 1.00 0.00 N ATOM 0 H HIS A 699 10.808 -2.517 -0.786 1.00 0.00 H new ATOM 0 HA HIS A 699 12.491 -2.770 1.483 1.00 0.00 H new ATOM 0 HB2 HIS A 699 11.742 -0.605 0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 699 10.058 -1.071 0.834 1.00 0.00 H new ATOM 0 HD1 HIS A 699 13.071 -0.212 2.974 1.00 0.00 H new ATOM 0 HD2 HIS A 699 8.933 -0.741 3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 699 12.457 0.585 5.310 1.00 0.00 H new ATOM 421 N GLN A 700 9.459 -3.975 1.716 1.00 0.00 N ATOM 422 CA GLN A 700 8.570 -4.774 2.550 1.00 0.00 C ATOM 423 C GLN A 700 9.280 -6.022 3.065 1.00 0.00 C ATOM 424 O GLN A 700 8.878 -6.607 4.070 1.00 0.00 O ATOM 425 CB GLN A 700 7.320 -5.173 1.763 1.00 0.00 C ATOM 426 CG GLN A 700 6.598 -3.994 1.129 1.00 0.00 C ATOM 427 CD GLN A 700 5.214 -4.357 0.631 1.00 0.00 C ATOM 428 OE1 GLN A 700 4.825 -5.526 0.638 1.00 0.00 O ATOM 429 NE2 GLN A 700 4.460 -3.355 0.194 1.00 0.00 N ATOM 0 H GLN A 700 9.125 -3.827 0.764 1.00 0.00 H new ATOM 0 HA GLN A 700 8.275 -4.167 3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 700 7.603 -5.878 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 700 6.632 -5.694 2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 700 6.518 -3.187 1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 700 7.191 -3.614 0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 700 4.822 -2.401 0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 700 3.519 -3.539 -0.154 1.00 0.00 H new ATOM 438 N ARG A 701 10.339 -6.423 2.368 1.00 0.00 N ATOM 439 CA ARG A 701 11.104 -7.602 2.754 1.00 0.00 C ATOM 440 C ARG A 701 11.515 -7.527 4.222 1.00 0.00 C ATOM 441 O ARG A 701 11.462 -8.523 4.944 1.00 0.00 O ATOM 442 CB ARG A 701 12.347 -7.741 1.872 1.00 0.00 C ATOM 443 CG ARG A 701 12.032 -8.091 0.427 1.00 0.00 C ATOM 444 CD ARG A 701 11.598 -9.542 0.288 1.00 0.00 C ATOM 445 NE ARG A 701 11.415 -9.927 -1.109 1.00 0.00 N ATOM 446 CZ ARG A 701 10.411 -9.496 -1.865 1.00 0.00 C ATOM 447 NH1 ARG A 701 9.505 -8.670 -1.361 1.00 0.00 N ATOM 448 NH2 ARG A 701 10.312 -9.891 -3.128 1.00 0.00 N ATOM 0 H ARG A 701 10.686 -5.949 1.534 1.00 0.00 H new ATOM 0 HA ARG A 701 10.469 -8.477 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 701 12.906 -6.806 1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 701 12.995 -8.511 2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 701 11.243 -7.437 0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 701 12.911 -7.912 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 701 12.345 -10.189 0.748 1.00 0.00 H new ATOM 0 HD3 ARG A 701 10.666 -9.695 0.831 1.00 0.00 H new ATOM 0 HE ARG A 701 12.095 -10.562 -1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 701 9.578 -8.364 -0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 701 8.735 -8.341 -1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 701 11.007 -10.526 -3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 701 9.541 -9.559 -3.707 1.00 0.00 H new ATOM 462 N VAL A 702 11.926 -6.340 4.656 1.00 0.00 N ATOM 463 CA VAL A 702 12.346 -6.135 6.037 1.00 0.00 C ATOM 464 C VAL A 702 11.225 -6.484 7.010 1.00 0.00 C ATOM 465 O VAL A 702 11.477 -6.914 8.136 1.00 0.00 O ATOM 466 CB VAL A 702 12.786 -4.679 6.279 1.00 0.00 C ATOM 467 CG1 VAL A 702 13.881 -4.282 5.301 1.00 0.00 C ATOM 468 CG2 VAL A 702 11.596 -3.738 6.171 1.00 0.00 C ATOM 0 H VAL A 702 11.977 -5.506 4.071 1.00 0.00 H new ATOM 0 HA VAL A 702 13.194 -6.797 6.212 1.00 0.00 H new ATOM 0 HB VAL A 702 13.189 -4.603 7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 702 14.179 -3.250 5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 702 14.742 -4.938 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 702 13.508 -4.373 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 702 11.925 -2.714 6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 702 11.160 -3.815 5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 702 10.848 -4.010 6.916 1.00 0.00 H new ATOM 478 N HIS A 703 9.986 -6.297 6.568 1.00 0.00 N ATOM 479 CA HIS A 703 8.825 -6.594 7.399 1.00 0.00 C ATOM 480 C HIS A 703 8.203 -7.931 7.008 1.00 0.00 C ATOM 481 O HIS A 703 6.981 -8.080 6.994 1.00 0.00 O ATOM 482 CB HIS A 703 7.785 -5.480 7.276 1.00 0.00 C ATOM 483 CG HIS A 703 8.352 -4.107 7.469 1.00 0.00 C ATOM 484 ND1 HIS A 703 8.857 -3.664 8.672 1.00 0.00 N ATOM 485 CD2 HIS A 703 8.493 -3.077 6.601 1.00 0.00 C ATOM 486 CE1 HIS A 703 9.283 -2.421 8.538 1.00 0.00 C ATOM 487 NE2 HIS A 703 9.074 -2.041 7.290 1.00 0.00 N ATOM 0 H HIS A 703 9.760 -5.941 5.639 1.00 0.00 H new ATOM 0 HA HIS A 703 9.158 -6.658 8.435 1.00 0.00 H new ATOM 0 HB2 HIS A 703 7.319 -5.537 6.292 1.00 0.00 H new ATOM 0 HB3 HIS A 703 6.998 -5.646 8.012 1.00 0.00 H new ATOM 0 HD1 HIS A 703 8.896 -4.211 9.532 1.00 0.00 H new ATOM 0 HD2 HIS A 703 8.203 -3.071 5.561 1.00 0.00 H new ATOM 0 HE1 HIS A 703 9.727 -1.818 9.316 1.00 0.00 H new ATOM 495 N THR A 704 9.054 -8.903 6.689 1.00 0.00 N ATOM 496 CA THR A 704 8.589 -10.227 6.296 1.00 0.00 C ATOM 497 C THR A 704 9.607 -11.299 6.665 1.00 0.00 C ATOM 498 O THR A 704 10.812 -11.050 6.669 1.00 0.00 O ATOM 499 CB THR A 704 8.311 -10.298 4.782 1.00 0.00 C ATOM 500 OG1 THR A 704 9.498 -9.973 4.050 1.00 0.00 O ATOM 501 CG2 THR A 704 7.192 -9.344 4.392 1.00 0.00 C ATOM 0 H THR A 704 10.068 -8.797 6.695 1.00 0.00 H new ATOM 0 HA THR A 704 7.661 -10.410 6.837 1.00 0.00 H new ATOM 0 HB THR A 704 8.002 -11.315 4.539 1.00 0.00 H new ATOM 0 HG1 THR A 704 10.194 -9.673 4.672 1.00 0.00 H new ATOM 0 HG21 THR A 704 7.014 -9.412 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 704 6.282 -9.612 4.929 1.00 0.00 H new ATOM 0 HG23 THR A 704 7.478 -8.324 4.649 1.00 0.00 H new ATOM 509 N GLY A 705 9.115 -12.495 6.974 1.00 0.00 N ATOM 510 CA GLY A 705 9.997 -13.588 7.339 1.00 0.00 C ATOM 511 C GLY A 705 9.855 -13.986 8.795 1.00 0.00 C ATOM 512 O GLY A 705 10.792 -14.511 9.396 1.00 0.00 O ATOM 0 H GLY A 705 8.122 -12.726 6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 705 9.783 -14.450 6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 705 11.030 -13.298 7.144 1.00 0.00 H new ATOM 516 N GLU A 706 8.680 -13.734 9.364 1.00 0.00 N ATOM 517 CA GLU A 706 8.420 -14.067 10.759 1.00 0.00 C ATOM 518 C GLU A 706 7.387 -15.185 10.869 1.00 0.00 C ATOM 519 O GLU A 706 6.451 -15.106 11.665 1.00 0.00 O ATOM 520 CB GLU A 706 7.934 -12.832 11.520 1.00 0.00 C ATOM 521 CG GLU A 706 8.284 -12.850 12.999 1.00 0.00 C ATOM 522 CD GLU A 706 7.381 -11.954 13.823 1.00 0.00 C ATOM 523 OE1 GLU A 706 7.132 -10.808 13.394 1.00 0.00 O ATOM 524 OE2 GLU A 706 6.925 -12.398 14.898 1.00 0.00 O ATOM 0 H GLU A 706 7.894 -13.300 8.880 1.00 0.00 H new ATOM 0 HA GLU A 706 9.353 -14.414 11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 706 8.366 -11.941 11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 706 6.852 -12.752 11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 706 8.215 -13.872 13.373 1.00 0.00 H new ATOM 0 HG3 GLU A 706 9.319 -12.533 13.127 1.00 0.00 H new ATOM 531 N LYS A 707 7.562 -16.225 10.062 1.00 0.00 N ATOM 532 CA LYS A 707 6.647 -17.361 10.066 1.00 0.00 C ATOM 533 C LYS A 707 7.136 -18.458 9.126 1.00 0.00 C ATOM 534 O LYS A 707 6.587 -18.673 8.046 1.00 0.00 O ATOM 535 CB LYS A 707 5.243 -16.912 9.656 1.00 0.00 C ATOM 536 CG LYS A 707 4.135 -17.771 10.239 1.00 0.00 C ATOM 537 CD LYS A 707 3.942 -19.050 9.441 1.00 0.00 C ATOM 538 CE LYS A 707 3.383 -18.763 8.056 1.00 0.00 C ATOM 539 NZ LYS A 707 2.733 -19.964 7.461 1.00 0.00 N ATOM 0 H LYS A 707 8.330 -16.305 9.396 1.00 0.00 H new ATOM 0 HA LYS A 707 6.612 -17.764 11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 707 5.094 -15.879 9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 707 5.169 -16.927 8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 707 4.372 -18.019 11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 707 3.203 -17.205 10.252 1.00 0.00 H new ATOM 0 HD2 LYS A 707 4.895 -19.570 9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 707 3.266 -19.716 9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 707 2.659 -17.951 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 707 4.187 -18.424 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 2.365 -19.728 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 3.430 -20.731 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 1.949 -20.273 8.071 1.00 0.00 H new ATOM 553 N PRO A 708 8.193 -19.170 9.546 1.00 0.00 N ATOM 554 CA PRO A 708 8.777 -20.258 8.757 1.00 0.00 C ATOM 555 C PRO A 708 7.863 -21.476 8.681 1.00 0.00 C ATOM 556 O PRO A 708 7.441 -22.012 9.706 1.00 0.00 O ATOM 557 CB PRO A 708 10.060 -20.599 9.519 1.00 0.00 C ATOM 558 CG PRO A 708 9.793 -20.172 10.921 1.00 0.00 C ATOM 559 CD PRO A 708 8.897 -18.968 10.823 1.00 0.00 C ATOM 0 HA PRO A 708 8.945 -19.965 7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 708 10.281 -21.665 9.465 1.00 0.00 H new ATOM 0 HB3 PRO A 708 10.919 -20.074 9.102 1.00 0.00 H new ATOM 0 HG2 PRO A 708 9.314 -20.970 11.488 1.00 0.00 H new ATOM 0 HG3 PRO A 708 10.721 -19.927 11.438 1.00 0.00 H new ATOM 0 HD2 PRO A 708 8.202 -18.915 11.661 1.00 0.00 H new ATOM 0 HD3 PRO A 708 9.469 -18.040 10.824 1.00 0.00 H new ATOM 567 N SER A 709 7.560 -21.908 7.461 1.00 0.00 N ATOM 568 CA SER A 709 6.692 -23.061 7.252 1.00 0.00 C ATOM 569 C SER A 709 7.472 -24.363 7.407 1.00 0.00 C ATOM 570 O SER A 709 7.703 -25.081 6.435 1.00 0.00 O ATOM 571 CB SER A 709 6.051 -22.999 5.864 1.00 0.00 C ATOM 572 OG SER A 709 5.541 -21.704 5.595 1.00 0.00 O ATOM 0 H SER A 709 7.903 -21.477 6.602 1.00 0.00 H new ATOM 0 HA SER A 709 5.907 -23.036 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 709 6.788 -23.267 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 709 5.246 -23.731 5.799 1.00 0.00 H new ATOM 0 HG SER A 709 5.138 -21.690 4.702 1.00 0.00 H new ATOM 578 N GLY A 710 7.875 -24.662 8.639 1.00 0.00 N ATOM 579 CA GLY A 710 8.624 -25.876 8.900 1.00 0.00 C ATOM 580 C GLY A 710 8.995 -26.026 10.362 1.00 0.00 C ATOM 581 O GLY A 710 8.732 -25.148 11.184 1.00 0.00 O ATOM 0 H GLY A 710 7.696 -24.084 9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 710 8.034 -26.738 8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 710 9.532 -25.876 8.296 1.00 0.00 H new ATOM 585 N PRO A 711 9.620 -27.162 10.705 1.00 0.00 N ATOM 586 CA PRO A 711 10.039 -27.451 12.079 1.00 0.00 C ATOM 587 C PRO A 711 11.195 -26.564 12.531 1.00 0.00 C ATOM 588 O PRO A 711 11.733 -25.783 11.747 1.00 0.00 O ATOM 589 CB PRO A 711 10.482 -28.915 12.015 1.00 0.00 C ATOM 590 CG PRO A 711 10.873 -29.130 10.593 1.00 0.00 C ATOM 591 CD PRO A 711 9.965 -28.252 9.777 1.00 0.00 C ATOM 0 HA PRO A 711 9.240 -27.264 12.796 1.00 0.00 H new ATOM 0 HB2 PRO A 711 11.317 -29.106 12.689 1.00 0.00 H new ATOM 0 HB3 PRO A 711 9.675 -29.586 12.310 1.00 0.00 H new ATOM 0 HG2 PRO A 711 11.918 -28.867 10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 711 10.760 -30.177 10.311 1.00 0.00 H new ATOM 0 HD2 PRO A 711 10.465 -27.876 8.884 1.00 0.00 H new ATOM 0 HD3 PRO A 711 9.078 -28.791 9.443 1.00 0.00 H new ATOM 599 N SER A 712 11.571 -26.691 13.800 1.00 0.00 N ATOM 600 CA SER A 712 12.660 -25.898 14.357 1.00 0.00 C ATOM 601 C SER A 712 14.010 -26.545 14.061 1.00 0.00 C ATOM 602 O SER A 712 14.075 -27.660 13.542 1.00 0.00 O ATOM 603 CB SER A 712 12.481 -25.735 15.868 1.00 0.00 C ATOM 604 OG SER A 712 12.415 -26.996 16.512 1.00 0.00 O ATOM 0 H SER A 712 11.137 -27.335 14.461 1.00 0.00 H new ATOM 0 HA SER A 712 12.636 -24.915 13.887 1.00 0.00 H new ATOM 0 HB2 SER A 712 13.311 -25.158 16.276 1.00 0.00 H new ATOM 0 HB3 SER A 712 11.570 -25.171 16.071 1.00 0.00 H new ATOM 0 HG SER A 712 12.302 -26.865 17.477 1.00 0.00 H new ATOM 610 N SER A 713 15.084 -25.838 14.394 1.00 0.00 N ATOM 611 CA SER A 713 16.433 -26.340 14.160 1.00 0.00 C ATOM 612 C SER A 713 17.017 -26.943 15.435 1.00 0.00 C ATOM 613 O SER A 713 16.917 -26.359 16.513 1.00 0.00 O ATOM 614 CB SER A 713 17.339 -25.216 13.653 1.00 0.00 C ATOM 615 OG SER A 713 17.031 -24.880 12.311 1.00 0.00 O ATOM 0 H SER A 713 15.047 -24.915 14.827 1.00 0.00 H new ATOM 0 HA SER A 713 16.376 -27.121 13.401 1.00 0.00 H new ATOM 0 HB2 SER A 713 17.223 -24.337 14.287 1.00 0.00 H new ATOM 0 HB3 SER A 713 18.382 -25.525 13.724 1.00 0.00 H new ATOM 0 HG SER A 713 17.622 -24.158 12.011 1.00 0.00 H new ATOM 621 N GLY A 714 17.627 -28.117 15.302 1.00 0.00 N ATOM 622 CA GLY A 714 18.217 -28.780 16.449 1.00 0.00 C ATOM 623 C GLY A 714 19.706 -28.517 16.569 1.00 0.00 C ATOM 624 O GLY A 714 20.457 -28.913 15.679 1.00 0.00 O ATOM 0 H GLY A 714 17.723 -28.620 14.420 1.00 0.00 H new ATOM 0 HA2 GLY A 714 17.717 -28.442 17.357 1.00 0.00 H new ATOM 0 HA3 GLY A 714 18.046 -29.854 16.372 1.00 0.00 H new TER 628 GLY A 714 HETATM 629 ZN ZN A 201 9.102 -0.268 6.175 1.00 0.00 ZN