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 679 LYS NZ :NH3+ 170:sc= 0.0394 (180deg=0) USER MOD Set 1.2: A 684 ASN : amide:sc= 0.0317 K(o=0.071,f=-5!) USER MOD Single : A 670 SER OG : rot 180:sc= 0 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 27:sc= 0.362 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 : amide:sc= -1.42 K(o=-1.4,f=-1.9) USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 691 SER OG : rot 180:sc= 0 USER MOD Single : A 692 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.39) USER MOD Single : A 693 THR OG1 : rot 180:sc= 0.00717 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 X(o=0,f=-0.078) USER MOD Single : A 704 THR OG1 : rot 180:sc=-0.00922 USER MOD Single : A 707 LYS NZ :NH3+ 154:sc= 0.563 (180deg=0.224) USER MOD Single : A 709 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 712 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 713 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 669 -26.831 7.553 14.576 1.00 0.00 N ATOM 2 CA GLY A 669 -25.773 8.477 14.939 1.00 0.00 C ATOM 3 C GLY A 669 -25.822 9.761 14.134 1.00 0.00 C ATOM 4 O GLY A 669 -26.483 9.826 13.097 1.00 0.00 O ATOM 0 HA2 GLY A 669 -25.850 8.714 16.000 1.00 0.00 H new ATOM 0 HA3 GLY A 669 -24.807 7.995 14.790 1.00 0.00 H new ATOM 8 N SER A 670 -25.123 10.785 14.612 1.00 0.00 N ATOM 9 CA SER A 670 -25.094 12.075 13.933 1.00 0.00 C ATOM 10 C SER A 670 -24.008 12.100 12.861 1.00 0.00 C ATOM 11 O SER A 670 -24.237 12.554 11.740 1.00 0.00 O ATOM 12 CB SER A 670 -24.858 13.201 14.941 1.00 0.00 C ATOM 13 OG SER A 670 -24.739 14.453 14.288 1.00 0.00 O ATOM 0 H SER A 670 -24.569 10.746 15.467 1.00 0.00 H new ATOM 0 HA SER A 670 -26.060 12.226 13.451 1.00 0.00 H new ATOM 0 HB2 SER A 670 -25.683 13.235 15.652 1.00 0.00 H new ATOM 0 HB3 SER A 670 -23.952 12.998 15.513 1.00 0.00 H new ATOM 0 HG SER A 670 -24.590 15.156 14.954 1.00 0.00 H new ATOM 19 N SER A 671 -22.825 11.609 13.215 1.00 0.00 N ATOM 20 CA SER A 671 -21.701 11.578 12.286 1.00 0.00 C ATOM 21 C SER A 671 -20.533 10.792 12.873 1.00 0.00 C ATOM 22 O SER A 671 -20.043 11.102 13.958 1.00 0.00 O ATOM 23 CB SER A 671 -21.254 13.001 11.947 1.00 0.00 C ATOM 24 OG SER A 671 -20.574 13.040 10.704 1.00 0.00 O ATOM 0 H SER A 671 -22.620 11.227 14.138 1.00 0.00 H new ATOM 0 HA SER A 671 -22.029 11.080 11.373 1.00 0.00 H new ATOM 0 HB2 SER A 671 -22.122 13.659 11.911 1.00 0.00 H new ATOM 0 HB3 SER A 671 -20.601 13.378 12.734 1.00 0.00 H new ATOM 0 HG SER A 671 -20.300 13.961 10.510 1.00 0.00 H new ATOM 30 N GLY A 672 -20.090 9.771 12.146 1.00 0.00 N ATOM 31 CA GLY A 672 -18.983 8.955 12.609 1.00 0.00 C ATOM 32 C GLY A 672 -18.085 8.499 11.476 1.00 0.00 C ATOM 33 O GLY A 672 -18.399 7.538 10.774 1.00 0.00 O ATOM 0 H GLY A 672 -20.478 9.494 11.244 1.00 0.00 H new ATOM 0 HA2 GLY A 672 -18.394 9.522 13.329 1.00 0.00 H new ATOM 0 HA3 GLY A 672 -19.373 8.082 13.133 1.00 0.00 H new ATOM 37 N SER A 673 -16.964 9.191 11.296 1.00 0.00 N ATOM 38 CA SER A 673 -16.020 8.855 10.237 1.00 0.00 C ATOM 39 C SER A 673 -14.632 9.404 10.552 1.00 0.00 C ATOM 40 O SER A 673 -14.483 10.314 11.367 1.00 0.00 O ATOM 41 CB SER A 673 -16.508 9.408 8.896 1.00 0.00 C ATOM 42 OG SER A 673 -16.300 10.807 8.816 1.00 0.00 O ATOM 0 H SER A 673 -16.688 9.988 11.870 1.00 0.00 H new ATOM 0 HA SER A 673 -15.956 7.769 10.172 1.00 0.00 H new ATOM 0 HB2 SER A 673 -15.981 8.912 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 673 -17.568 9.187 8.772 1.00 0.00 H new ATOM 0 HG SER A 673 -16.618 11.136 7.949 1.00 0.00 H new ATOM 48 N SER A 674 -13.619 8.843 9.899 1.00 0.00 N ATOM 49 CA SER A 674 -12.242 9.273 10.111 1.00 0.00 C ATOM 50 C SER A 674 -11.393 9.009 8.871 1.00 0.00 C ATOM 51 O SER A 674 -11.710 8.138 8.062 1.00 0.00 O ATOM 52 CB SER A 674 -11.640 8.550 11.318 1.00 0.00 C ATOM 53 OG SER A 674 -11.966 9.216 12.526 1.00 0.00 O ATOM 0 H SER A 674 -13.726 8.090 9.219 1.00 0.00 H new ATOM 0 HA SER A 674 -12.248 10.346 10.304 1.00 0.00 H new ATOM 0 HB2 SER A 674 -12.009 7.525 11.353 1.00 0.00 H new ATOM 0 HB3 SER A 674 -10.557 8.495 11.210 1.00 0.00 H new ATOM 0 HG SER A 674 -12.805 9.709 12.412 1.00 0.00 H new ATOM 59 N GLY A 675 -10.312 9.770 8.729 1.00 0.00 N ATOM 60 CA GLY A 675 -9.434 9.604 7.585 1.00 0.00 C ATOM 61 C GLY A 675 -8.522 10.797 7.377 1.00 0.00 C ATOM 62 O GLY A 675 -8.987 11.931 7.258 1.00 0.00 O ATOM 0 H GLY A 675 -10.029 10.498 9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 675 -8.829 8.708 7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 675 -10.035 9.449 6.689 1.00 0.00 H new ATOM 66 N THR A 676 -7.218 10.543 7.334 1.00 0.00 N ATOM 67 CA THR A 676 -6.238 11.605 7.142 1.00 0.00 C ATOM 68 C THR A 676 -5.088 11.138 6.257 1.00 0.00 C ATOM 69 O THR A 676 -4.623 10.004 6.373 1.00 0.00 O ATOM 70 CB THR A 676 -5.670 12.096 8.487 1.00 0.00 C ATOM 71 OG1 THR A 676 -5.621 11.012 9.422 1.00 0.00 O ATOM 72 CG2 THR A 676 -6.519 13.224 9.053 1.00 0.00 C ATOM 0 H THR A 676 -6.816 9.611 7.430 1.00 0.00 H new ATOM 0 HA THR A 676 -6.757 12.430 6.653 1.00 0.00 H new ATOM 0 HB THR A 676 -4.662 12.473 8.316 1.00 0.00 H new ATOM 0 HG1 THR A 676 -5.257 11.331 10.274 1.00 0.00 H new ATOM 0 HG21 THR A 676 -6.099 13.554 10.003 1.00 0.00 H new ATOM 0 HG22 THR A 676 -6.530 14.058 8.351 1.00 0.00 H new ATOM 0 HG23 THR A 676 -7.537 12.869 9.211 1.00 0.00 H new ATOM 80 N GLY A 677 -4.631 12.020 5.373 1.00 0.00 N ATOM 81 CA GLY A 677 -3.537 11.679 4.482 1.00 0.00 C ATOM 82 C GLY A 677 -3.891 10.547 3.537 1.00 0.00 C ATOM 83 O GLY A 677 -4.621 10.744 2.567 1.00 0.00 O ATOM 0 H GLY A 677 -4.999 12.964 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 677 -3.257 12.558 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 677 -2.666 11.396 5.073 1.00 0.00 H new ATOM 87 N GLY A 678 -3.369 9.357 3.820 1.00 0.00 N ATOM 88 CA GLY A 678 -3.643 8.207 2.978 1.00 0.00 C ATOM 89 C GLY A 678 -2.406 7.372 2.717 1.00 0.00 C ATOM 90 O GLY A 678 -1.556 7.743 1.908 1.00 0.00 O ATOM 0 H GLY A 678 -2.761 9.169 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -4.403 7.586 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -4.056 8.546 2.028 1.00 0.00 H new ATOM 94 N LYS A 679 -2.303 6.239 3.404 1.00 0.00 N ATOM 95 CA LYS A 679 -1.160 5.348 3.244 1.00 0.00 C ATOM 96 C LYS A 679 -1.606 3.976 2.748 1.00 0.00 C ATOM 97 O LYS A 679 -1.547 2.980 3.469 1.00 0.00 O ATOM 98 CB LYS A 679 -0.409 5.204 4.569 1.00 0.00 C ATOM 99 CG LYS A 679 0.197 6.503 5.070 1.00 0.00 C ATOM 100 CD LYS A 679 1.009 6.289 6.336 1.00 0.00 C ATOM 101 CE LYS A 679 0.112 6.051 7.541 1.00 0.00 C ATOM 102 NZ LYS A 679 0.827 5.335 8.633 1.00 0.00 N ATOM 0 H LYS A 679 -2.998 5.916 4.077 1.00 0.00 H new ATOM 0 HA LYS A 679 -0.492 5.784 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -1.093 4.817 5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 679 0.384 4.466 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 679 0.834 6.930 4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -0.597 7.225 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 679 1.675 5.436 6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 679 1.639 7.160 6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -0.256 7.007 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -0.759 5.471 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 0.242 5.341 9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 1.007 4.352 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 1.732 5.811 8.826 1.00 0.00 H new ATOM 116 N PRO A 680 -2.062 3.920 1.488 1.00 0.00 N ATOM 117 CA PRO A 680 -2.524 2.675 0.867 1.00 0.00 C ATOM 118 C PRO A 680 -1.382 1.701 0.601 1.00 0.00 C ATOM 119 O PRO A 680 -1.503 0.503 0.858 1.00 0.00 O ATOM 120 CB PRO A 680 -3.144 3.145 -0.451 1.00 0.00 C ATOM 121 CG PRO A 680 -2.455 4.430 -0.758 1.00 0.00 C ATOM 122 CD PRO A 680 -2.160 5.069 0.571 1.00 0.00 C ATOM 0 HA PRO A 680 -3.216 2.132 1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 680 -2.989 2.414 -1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 680 -4.220 3.287 -0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -1.537 4.256 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 680 -3.086 5.075 -1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.233 5.642 0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -2.951 5.756 0.871 1.00 0.00 H new ATOM 130 N TYR A 681 -0.274 2.222 0.086 1.00 0.00 N ATOM 131 CA TYR A 681 0.890 1.397 -0.217 1.00 0.00 C ATOM 132 C TYR A 681 2.080 1.795 0.651 1.00 0.00 C ATOM 133 O TYR A 681 2.960 0.981 0.926 1.00 0.00 O ATOM 134 CB TYR A 681 1.258 1.522 -1.696 1.00 0.00 C ATOM 135 CG TYR A 681 1.548 2.940 -2.131 1.00 0.00 C ATOM 136 CD1 TYR A 681 2.780 3.529 -1.874 1.00 0.00 C ATOM 137 CD2 TYR A 681 0.590 3.692 -2.799 1.00 0.00 C ATOM 138 CE1 TYR A 681 3.049 4.825 -2.269 1.00 0.00 C ATOM 139 CE2 TYR A 681 0.851 4.989 -3.199 1.00 0.00 C ATOM 140 CZ TYR A 681 2.081 5.551 -2.931 1.00 0.00 C ATOM 141 OH TYR A 681 2.346 6.842 -3.327 1.00 0.00 O ATOM 0 H TYR A 681 -0.157 3.212 -0.130 1.00 0.00 H new ATOM 0 HA TYR A 681 0.636 0.360 0.001 1.00 0.00 H new ATOM 0 HB2 TYR A 681 2.132 0.903 -1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 681 0.441 1.126 -2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 681 3.541 2.964 -1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 681 -0.375 3.256 -3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 681 4.012 5.267 -2.061 1.00 0.00 H new ATOM 0 HE2 TYR A 681 0.095 5.559 -3.719 1.00 0.00 H new ATOM 0 HH TYR A 681 1.561 7.213 -3.781 1.00 0.00 H new ATOM 151 N GLN A 682 2.098 3.054 1.078 1.00 0.00 N ATOM 152 CA GLN A 682 3.179 3.561 1.914 1.00 0.00 C ATOM 153 C GLN A 682 3.401 2.659 3.124 1.00 0.00 C ATOM 154 O GLN A 682 2.470 2.372 3.877 1.00 0.00 O ATOM 155 CB GLN A 682 2.870 4.986 2.376 1.00 0.00 C ATOM 156 CG GLN A 682 3.854 5.519 3.406 1.00 0.00 C ATOM 157 CD GLN A 682 3.612 6.977 3.744 1.00 0.00 C ATOM 158 OE1 GLN A 682 3.333 7.792 2.864 1.00 0.00 O ATOM 159 NE2 GLN A 682 3.718 7.314 5.024 1.00 0.00 N ATOM 0 H GLN A 682 1.376 3.741 0.859 1.00 0.00 H new ATOM 0 HA GLN A 682 4.091 3.570 1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 682 2.869 5.648 1.510 1.00 0.00 H new ATOM 0 HB3 GLN A 682 1.865 5.012 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 682 3.781 4.922 4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 682 4.869 5.401 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 682 3.951 6.606 5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 682 3.566 8.281 5.311 1.00 0.00 H new ATOM 168 N CYS A 683 4.640 2.213 3.304 1.00 0.00 N ATOM 169 CA CYS A 683 4.985 1.342 4.421 1.00 0.00 C ATOM 170 C CYS A 683 4.513 1.940 5.743 1.00 0.00 C ATOM 171 O CYS A 683 4.894 3.053 6.104 1.00 0.00 O ATOM 172 CB CYS A 683 6.496 1.109 4.465 1.00 0.00 C ATOM 173 SG CYS A 683 7.018 -0.164 5.660 1.00 0.00 S ATOM 0 H CYS A 683 5.422 2.441 2.690 1.00 0.00 H new ATOM 0 HA CYS A 683 4.481 0.387 4.274 1.00 0.00 H new ATOM 0 HB2 CYS A 683 6.837 0.821 3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 683 6.991 2.048 4.712 1.00 0.00 H new ATOM 178 N ASN A 684 3.680 1.193 6.461 1.00 0.00 N ATOM 179 CA ASN A 684 3.155 1.649 7.743 1.00 0.00 C ATOM 180 C ASN A 684 3.919 1.013 8.901 1.00 0.00 C ATOM 181 O ASN A 684 3.982 1.571 9.995 1.00 0.00 O ATOM 182 CB ASN A 684 1.666 1.317 7.855 1.00 0.00 C ATOM 183 CG ASN A 684 0.872 1.812 6.662 1.00 0.00 C ATOM 184 OD1 ASN A 684 0.610 3.007 6.529 1.00 0.00 O ATOM 185 ND2 ASN A 684 0.483 0.891 5.787 1.00 0.00 N ATOM 0 H ASN A 684 3.354 0.269 6.177 1.00 0.00 H new ATOM 0 HA ASN A 684 3.284 2.730 7.797 1.00 0.00 H new ATOM 0 HB2 ASN A 684 1.543 0.238 7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 684 1.265 1.763 8.765 1.00 0.00 H new ATOM 0 HD21 ASN A 684 -0.055 1.164 4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 684 0.723 -0.089 5.937 1.00 0.00 H new ATOM 192 N GLU A 685 4.497 -0.157 8.649 1.00 0.00 N ATOM 193 CA GLU A 685 5.256 -0.868 9.671 1.00 0.00 C ATOM 194 C GLU A 685 6.307 0.042 10.301 1.00 0.00 C ATOM 195 O GLU A 685 6.455 0.085 11.522 1.00 0.00 O ATOM 196 CB GLU A 685 5.930 -2.104 9.070 1.00 0.00 C ATOM 197 CG GLU A 685 4.955 -3.078 8.431 1.00 0.00 C ATOM 198 CD GLU A 685 3.964 -3.650 9.426 1.00 0.00 C ATOM 199 OE1 GLU A 685 4.405 -4.131 10.491 1.00 0.00 O ATOM 200 OE2 GLU A 685 2.749 -3.616 9.141 1.00 0.00 O ATOM 0 H GLU A 685 4.454 -0.632 7.747 1.00 0.00 H new ATOM 0 HA GLU A 685 4.561 -1.184 10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 685 6.655 -1.784 8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 685 6.487 -2.620 9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 685 4.412 -2.571 7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 685 5.512 -3.893 7.969 1.00 0.00 H new ATOM 207 N CYS A 686 7.034 0.767 9.458 1.00 0.00 N ATOM 208 CA CYS A 686 8.072 1.675 9.929 1.00 0.00 C ATOM 209 C CYS A 686 7.733 3.120 9.574 1.00 0.00 C ATOM 210 O CYS A 686 8.170 4.055 10.244 1.00 0.00 O ATOM 211 CB CYS A 686 9.426 1.295 9.326 1.00 0.00 C ATOM 212 SG CYS A 686 9.548 1.585 7.532 1.00 0.00 S ATOM 0 H CYS A 686 6.923 0.743 8.444 1.00 0.00 H new ATOM 0 HA CYS A 686 8.129 1.589 11.014 1.00 0.00 H new ATOM 0 HB2 CYS A 686 10.208 1.863 9.829 1.00 0.00 H new ATOM 0 HB3 CYS A 686 9.618 0.241 9.527 1.00 0.00 H new ATOM 217 N GLY A 687 6.950 3.295 8.514 1.00 0.00 N ATOM 218 CA GLY A 687 6.565 4.628 8.087 1.00 0.00 C ATOM 219 C GLY A 687 7.496 5.190 7.032 1.00 0.00 C ATOM 220 O GLY A 687 8.095 6.249 7.223 1.00 0.00 O ATOM 0 H GLY A 687 6.575 2.537 7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 687 5.549 4.601 7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 687 6.555 5.294 8.950 1.00 0.00 H new ATOM 224 N LYS A 688 7.621 4.481 5.916 1.00 0.00 N ATOM 225 CA LYS A 688 8.486 4.914 4.826 1.00 0.00 C ATOM 226 C LYS A 688 7.718 4.963 3.508 1.00 0.00 C ATOM 227 O LYS A 688 6.937 4.064 3.201 1.00 0.00 O ATOM 228 CB LYS A 688 9.686 3.973 4.694 1.00 0.00 C ATOM 229 CG LYS A 688 10.838 4.564 3.900 1.00 0.00 C ATOM 230 CD LYS A 688 12.116 3.765 4.094 1.00 0.00 C ATOM 231 CE LYS A 688 13.337 4.549 3.638 1.00 0.00 C ATOM 232 NZ LYS A 688 13.764 5.552 4.653 1.00 0.00 N ATOM 0 H LYS A 688 7.133 3.602 5.743 1.00 0.00 H new ATOM 0 HA LYS A 688 8.843 5.918 5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 688 10.041 3.708 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 688 9.362 3.049 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 688 10.578 4.586 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 688 11.003 5.596 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 688 12.224 3.499 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 688 12.052 2.832 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 688 14.158 3.860 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 688 13.113 5.055 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 14.599 6.065 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 12.990 6.225 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 14.002 5.067 5.542 1.00 0.00 H new ATOM 246 N ALA A 689 7.948 6.019 2.734 1.00 0.00 N ATOM 247 CA ALA A 689 7.280 6.183 1.449 1.00 0.00 C ATOM 248 C ALA A 689 8.293 6.293 0.314 1.00 0.00 C ATOM 249 O ALA A 689 9.255 7.058 0.399 1.00 0.00 O ATOM 250 CB ALA A 689 6.379 7.408 1.475 1.00 0.00 C ATOM 0 H ALA A 689 8.591 6.773 2.975 1.00 0.00 H new ATOM 0 HA ALA A 689 6.668 5.299 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 689 5.887 7.518 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 689 5.626 7.290 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 689 6.977 8.296 1.680 1.00 0.00 H new ATOM 256 N PHE A 690 8.073 5.524 -0.747 1.00 0.00 N ATOM 257 CA PHE A 690 8.968 5.534 -1.898 1.00 0.00 C ATOM 258 C PHE A 690 8.311 6.223 -3.091 1.00 0.00 C ATOM 259 O PHE A 690 7.108 6.484 -3.086 1.00 0.00 O ATOM 260 CB PHE A 690 9.365 4.105 -2.275 1.00 0.00 C ATOM 261 CG PHE A 690 10.204 3.422 -1.232 1.00 0.00 C ATOM 262 CD1 PHE A 690 9.632 2.962 -0.057 1.00 0.00 C ATOM 263 CD2 PHE A 690 11.563 3.240 -1.428 1.00 0.00 C ATOM 264 CE1 PHE A 690 10.401 2.333 0.904 1.00 0.00 C ATOM 265 CE2 PHE A 690 12.338 2.612 -0.470 1.00 0.00 C ATOM 266 CZ PHE A 690 11.756 2.157 0.696 1.00 0.00 C ATOM 0 H PHE A 690 7.282 4.886 -0.834 1.00 0.00 H new ATOM 0 HA PHE A 690 9.864 6.092 -1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 690 8.462 3.518 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 690 9.914 4.125 -3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 690 8.573 3.096 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 690 12.023 3.593 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 690 9.944 1.979 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 690 13.397 2.478 -0.634 1.00 0.00 H new ATOM 0 HZ PHE A 690 12.359 1.664 1.445 1.00 0.00 H new ATOM 276 N SER A 691 9.111 6.514 -4.112 1.00 0.00 N ATOM 277 CA SER A 691 8.610 7.176 -5.311 1.00 0.00 C ATOM 278 C SER A 691 7.715 6.238 -6.115 1.00 0.00 C ATOM 279 O SER A 691 6.794 6.680 -6.803 1.00 0.00 O ATOM 280 CB SER A 691 9.775 7.656 -6.179 1.00 0.00 C ATOM 281 OG SER A 691 10.378 6.574 -6.867 1.00 0.00 O ATOM 0 H SER A 691 10.108 6.302 -4.133 1.00 0.00 H new ATOM 0 HA SER A 691 8.019 8.037 -5.000 1.00 0.00 H new ATOM 0 HB2 SER A 691 9.418 8.394 -6.897 1.00 0.00 H new ATOM 0 HB3 SER A 691 10.517 8.153 -5.554 1.00 0.00 H new ATOM 0 HG SER A 691 11.118 6.907 -7.416 1.00 0.00 H new ATOM 287 N GLN A 692 7.992 4.942 -6.023 1.00 0.00 N ATOM 288 CA GLN A 692 7.213 3.941 -6.743 1.00 0.00 C ATOM 289 C GLN A 692 6.989 2.703 -5.881 1.00 0.00 C ATOM 290 O GLN A 692 7.696 2.481 -4.898 1.00 0.00 O ATOM 291 CB GLN A 692 7.919 3.552 -8.043 1.00 0.00 C ATOM 292 CG GLN A 692 7.785 4.591 -9.144 1.00 0.00 C ATOM 293 CD GLN A 692 6.340 4.909 -9.472 1.00 0.00 C ATOM 294 OE1 GLN A 692 5.496 4.015 -9.546 1.00 0.00 O ATOM 295 NE2 GLN A 692 6.045 6.189 -9.671 1.00 0.00 N ATOM 0 H GLN A 692 8.750 4.560 -5.457 1.00 0.00 H new ATOM 0 HA GLN A 692 6.242 4.375 -6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 692 8.977 3.388 -7.837 1.00 0.00 H new ATOM 0 HB3 GLN A 692 7.513 2.605 -8.398 1.00 0.00 H new ATOM 0 HG2 GLN A 692 8.294 5.505 -8.840 1.00 0.00 H new ATOM 0 HG3 GLN A 692 8.287 4.230 -10.042 1.00 0.00 H new ATOM 0 HE21 GLN A 692 6.775 6.898 -9.600 1.00 0.00 H new ATOM 0 HE22 GLN A 692 5.088 6.463 -9.895 1.00 0.00 H new ATOM 304 N THR A 693 6.000 1.898 -6.257 1.00 0.00 N ATOM 305 CA THR A 693 5.681 0.682 -5.518 1.00 0.00 C ATOM 306 C THR A 693 6.682 -0.426 -5.824 1.00 0.00 C ATOM 307 O THR A 693 6.916 -1.309 -5.000 1.00 0.00 O ATOM 308 CB THR A 693 4.262 0.182 -5.846 1.00 0.00 C ATOM 309 OG1 THR A 693 4.060 0.174 -7.263 1.00 0.00 O ATOM 310 CG2 THR A 693 3.211 1.061 -5.184 1.00 0.00 C ATOM 0 H THR A 693 5.406 2.066 -7.069 1.00 0.00 H new ATOM 0 HA THR A 693 5.734 0.933 -4.459 1.00 0.00 H new ATOM 0 HB THR A 693 4.161 -0.832 -5.459 1.00 0.00 H new ATOM 0 HG1 THR A 693 3.156 -0.147 -7.463 1.00 0.00 H new ATOM 0 HG21 THR A 693 2.217 0.688 -5.430 1.00 0.00 H new ATOM 0 HG22 THR A 693 3.348 1.041 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 693 3.314 2.085 -5.544 1.00 0.00 H new ATOM 318 N SER A 694 7.271 -0.373 -7.015 1.00 0.00 N ATOM 319 CA SER A 694 8.245 -1.374 -7.431 1.00 0.00 C ATOM 320 C SER A 694 9.341 -1.536 -6.382 1.00 0.00 C ATOM 321 O SER A 694 9.630 -2.645 -5.934 1.00 0.00 O ATOM 322 CB SER A 694 8.864 -0.987 -8.776 1.00 0.00 C ATOM 323 OG SER A 694 8.042 -1.401 -9.854 1.00 0.00 O ATOM 0 H SER A 694 7.090 0.353 -7.708 1.00 0.00 H new ATOM 0 HA SER A 694 7.726 -2.326 -7.539 1.00 0.00 H new ATOM 0 HB2 SER A 694 9.006 0.093 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 694 9.850 -1.442 -8.871 1.00 0.00 H new ATOM 0 HG SER A 694 8.459 -1.141 -10.702 1.00 0.00 H new ATOM 329 N LYS A 695 9.948 -0.419 -5.994 1.00 0.00 N ATOM 330 CA LYS A 695 11.012 -0.433 -4.997 1.00 0.00 C ATOM 331 C LYS A 695 10.446 -0.679 -3.602 1.00 0.00 C ATOM 332 O LYS A 695 11.111 -1.262 -2.745 1.00 0.00 O ATOM 333 CB LYS A 695 11.780 0.890 -5.022 1.00 0.00 C ATOM 334 CG LYS A 695 12.828 0.964 -6.118 1.00 0.00 C ATOM 335 CD LYS A 695 12.223 1.409 -7.439 1.00 0.00 C ATOM 336 CE LYS A 695 13.120 1.048 -8.613 1.00 0.00 C ATOM 337 NZ LYS A 695 12.940 1.984 -9.757 1.00 0.00 N ATOM 0 H LYS A 695 9.721 0.508 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 695 11.695 -1.246 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 695 11.072 1.709 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 695 12.265 1.037 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 695 13.614 1.659 -5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 695 13.296 -0.013 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 695 11.247 0.942 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 695 12.061 2.487 -7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 695 14.162 1.063 -8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 695 12.901 0.031 -8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 695 13.569 1.704 -10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 695 11.952 1.951 -10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 695 13.173 2.951 -9.454 1.00 0.00 H new ATOM 351 N LEU A 696 9.215 -0.232 -3.380 1.00 0.00 N ATOM 352 CA LEU A 696 8.559 -0.404 -2.089 1.00 0.00 C ATOM 353 C LEU A 696 8.447 -1.882 -1.728 1.00 0.00 C ATOM 354 O LEU A 696 8.742 -2.280 -0.602 1.00 0.00 O ATOM 355 CB LEU A 696 7.169 0.234 -2.112 1.00 0.00 C ATOM 356 CG LEU A 696 6.264 -0.085 -0.921 1.00 0.00 C ATOM 357 CD1 LEU A 696 6.797 0.569 0.344 1.00 0.00 C ATOM 358 CD2 LEU A 696 4.838 0.368 -1.198 1.00 0.00 C ATOM 0 H LEU A 696 8.651 0.253 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 696 9.167 0.091 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 696 7.289 1.316 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.661 -0.082 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 696 6.258 -1.165 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 696 6.140 0.331 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 696 7.800 0.196 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 696 6.833 1.650 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 696 4.208 0.133 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 696 4.826 1.444 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 696 4.457 -0.148 -2.080 1.00 0.00 H new ATOM 370 N ALA A 697 8.020 -2.690 -2.693 1.00 0.00 N ATOM 371 CA ALA A 697 7.874 -4.125 -2.478 1.00 0.00 C ATOM 372 C ALA A 697 9.170 -4.738 -1.959 1.00 0.00 C ATOM 373 O ALA A 697 9.149 -5.699 -1.190 1.00 0.00 O ATOM 374 CB ALA A 697 7.442 -4.810 -3.766 1.00 0.00 C ATOM 0 H ALA A 697 7.769 -2.376 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 697 7.104 -4.277 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 697 7.337 -5.881 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 697 6.486 -4.400 -4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 697 8.193 -4.640 -4.538 1.00 0.00 H new ATOM 380 N ARG A 698 10.296 -4.176 -2.384 1.00 0.00 N ATOM 381 CA ARG A 698 11.602 -4.668 -1.964 1.00 0.00 C ATOM 382 C ARG A 698 11.893 -4.274 -0.518 1.00 0.00 C ATOM 383 O ARG A 698 12.623 -4.967 0.191 1.00 0.00 O ATOM 384 CB ARG A 698 12.697 -4.123 -2.882 1.00 0.00 C ATOM 385 CG ARG A 698 12.354 -4.214 -4.360 1.00 0.00 C ATOM 386 CD ARG A 698 12.036 -5.643 -4.771 1.00 0.00 C ATOM 387 NE ARG A 698 12.240 -5.859 -6.201 1.00 0.00 N ATOM 388 CZ ARG A 698 11.875 -6.967 -6.836 1.00 0.00 C ATOM 389 NH1 ARG A 698 11.289 -7.954 -6.172 1.00 0.00 N ATOM 390 NH2 ARG A 698 12.094 -7.090 -8.139 1.00 0.00 N ATOM 0 H ARG A 698 10.330 -3.379 -3.019 1.00 0.00 H new ATOM 0 HA ARG A 698 11.590 -5.756 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 698 12.889 -3.081 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 698 13.620 -4.672 -2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 698 11.499 -3.573 -4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 698 13.190 -3.841 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 698 12.666 -6.331 -4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 698 11.002 -5.873 -4.513 1.00 0.00 H new ATOM 0 HE ARG A 698 12.687 -5.119 -6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 698 11.117 -7.864 -5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 698 11.010 -8.804 -6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 698 12.543 -6.333 -8.654 1.00 0.00 H new ATOM 0 HH22 ARG A 698 11.813 -7.942 -8.625 1.00 0.00 H new ATOM 404 N HIS A 699 11.316 -3.156 -0.089 1.00 0.00 N ATOM 405 CA HIS A 699 11.513 -2.669 1.272 1.00 0.00 C ATOM 406 C HIS A 699 10.706 -3.496 2.268 1.00 0.00 C ATOM 407 O HIS A 699 11.150 -3.740 3.389 1.00 0.00 O ATOM 408 CB HIS A 699 11.113 -1.196 1.372 1.00 0.00 C ATOM 409 CG HIS A 699 11.109 -0.671 2.775 1.00 0.00 C ATOM 410 ND1 HIS A 699 12.259 -0.319 3.450 1.00 0.00 N ATOM 411 CD2 HIS A 699 10.086 -0.436 3.629 1.00 0.00 C ATOM 412 CE1 HIS A 699 11.943 0.108 4.659 1.00 0.00 C ATOM 413 NE2 HIS A 699 10.630 0.047 4.794 1.00 0.00 N ATOM 0 H HIS A 699 10.709 -2.571 -0.663 1.00 0.00 H new ATOM 0 HA HIS A 699 12.570 -2.768 1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 699 11.800 -0.600 0.772 1.00 0.00 H new ATOM 0 HB3 HIS A 699 10.120 -1.068 0.942 1.00 0.00 H new ATOM 0 HD1 HIS A 699 13.205 -0.379 3.074 1.00 0.00 H new ATOM 0 HD2 HIS A 699 9.037 -0.598 3.431 1.00 0.00 H new ATOM 0 HE1 HIS A 699 12.640 0.449 5.410 1.00 0.00 H new ATOM 421 N GLN A 700 9.519 -3.924 1.849 1.00 0.00 N ATOM 422 CA GLN A 700 8.650 -4.723 2.705 1.00 0.00 C ATOM 423 C GLN A 700 9.344 -6.011 3.135 1.00 0.00 C ATOM 424 O GLN A 700 8.978 -6.619 4.140 1.00 0.00 O ATOM 425 CB GLN A 700 7.344 -5.050 1.979 1.00 0.00 C ATOM 426 CG GLN A 700 6.540 -3.821 1.589 1.00 0.00 C ATOM 427 CD GLN A 700 5.160 -4.168 1.066 1.00 0.00 C ATOM 428 OE1 GLN A 700 4.997 -5.107 0.286 1.00 0.00 O ATOM 429 NE2 GLN A 700 4.156 -3.411 1.494 1.00 0.00 N ATOM 0 H GLN A 700 9.138 -3.731 0.923 1.00 0.00 H new ATOM 0 HA GLN A 700 8.424 -4.139 3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 700 7.571 -5.625 1.081 1.00 0.00 H new ATOM 0 HB3 GLN A 700 6.732 -5.686 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 700 6.442 -3.166 2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 700 7.084 -3.263 0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 700 4.336 -2.643 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 700 3.205 -3.598 1.176 1.00 0.00 H new ATOM 438 N ARG A 701 10.347 -6.421 2.366 1.00 0.00 N ATOM 439 CA ARG A 701 11.091 -7.639 2.666 1.00 0.00 C ATOM 440 C ARG A 701 11.585 -7.632 4.110 1.00 0.00 C ATOM 441 O ARG A 701 11.527 -8.649 4.801 1.00 0.00 O ATOM 442 CB ARG A 701 12.277 -7.785 1.711 1.00 0.00 C ATOM 443 CG ARG A 701 11.877 -8.176 0.298 1.00 0.00 C ATOM 444 CD ARG A 701 11.573 -9.663 0.196 1.00 0.00 C ATOM 445 NE ARG A 701 12.790 -10.470 0.172 1.00 0.00 N ATOM 446 CZ ARG A 701 12.819 -11.746 -0.197 1.00 0.00 C ATOM 447 NH1 ARG A 701 11.703 -12.356 -0.571 1.00 0.00 N ATOM 448 NH2 ARG A 701 13.965 -12.413 -0.193 1.00 0.00 N ATOM 0 H ARG A 701 10.663 -5.928 1.531 1.00 0.00 H new ATOM 0 HA ARG A 701 10.420 -8.487 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 701 12.823 -6.842 1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 701 12.961 -8.536 2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 701 11.001 -7.603 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 701 12.680 -7.920 -0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 701 10.954 -9.965 1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 701 10.994 -9.853 -0.708 1.00 0.00 H new ATOM 0 HE ARG A 701 13.666 -10.030 0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 701 10.820 -11.846 -0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 701 11.727 -13.336 -0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 701 14.826 -11.947 0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 701 13.986 -13.393 -0.476 1.00 0.00 H new ATOM 462 N VAL A 702 12.070 -6.479 4.559 1.00 0.00 N ATOM 463 CA VAL A 702 12.573 -6.339 5.920 1.00 0.00 C ATOM 464 C VAL A 702 11.487 -6.657 6.942 1.00 0.00 C ATOM 465 O VAL A 702 11.774 -7.133 8.041 1.00 0.00 O ATOM 466 CB VAL A 702 13.106 -4.918 6.179 1.00 0.00 C ATOM 467 CG1 VAL A 702 14.166 -4.550 5.152 1.00 0.00 C ATOM 468 CG2 VAL A 702 11.966 -3.911 6.164 1.00 0.00 C ATOM 0 H VAL A 702 12.125 -5.628 4.000 1.00 0.00 H new ATOM 0 HA VAL A 702 13.391 -7.051 6.030 1.00 0.00 H new ATOM 0 HB VAL A 702 13.567 -4.896 7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 702 14.531 -3.542 5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 702 14.995 -5.255 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 702 13.733 -4.588 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 702 12.361 -2.912 6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 702 11.474 -3.933 5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 702 11.245 -4.166 6.941 1.00 0.00 H new ATOM 478 N HIS A 703 10.238 -6.390 6.573 1.00 0.00 N ATOM 479 CA HIS A 703 9.108 -6.649 7.458 1.00 0.00 C ATOM 480 C HIS A 703 8.538 -8.043 7.218 1.00 0.00 C ATOM 481 O HIS A 703 8.702 -8.944 8.042 1.00 0.00 O ATOM 482 CB HIS A 703 8.019 -5.597 7.249 1.00 0.00 C ATOM 483 CG HIS A 703 8.496 -4.192 7.454 1.00 0.00 C ATOM 484 ND1 HIS A 703 8.764 -3.662 8.699 1.00 0.00 N ATOM 485 CD2 HIS A 703 8.754 -3.206 6.563 1.00 0.00 C ATOM 486 CE1 HIS A 703 9.165 -2.410 8.565 1.00 0.00 C ATOM 487 NE2 HIS A 703 9.168 -2.109 7.279 1.00 0.00 N ATOM 0 H HIS A 703 9.983 -5.995 5.668 1.00 0.00 H new ATOM 0 HA HIS A 703 9.464 -6.594 8.487 1.00 0.00 H new ATOM 0 HB2 HIS A 703 7.622 -5.693 6.239 1.00 0.00 H new ATOM 0 HB3 HIS A 703 7.196 -5.796 7.936 1.00 0.00 H new ATOM 0 HD1 HIS A 703 8.668 -4.159 9.585 1.00 0.00 H new ATOM 0 HD2 HIS A 703 8.653 -3.270 5.490 1.00 0.00 H new ATOM 0 HE1 HIS A 703 9.443 -1.746 9.370 1.00 0.00 H new ATOM 495 N THR A 704 7.865 -8.215 6.084 1.00 0.00 N ATOM 496 CA THR A 704 7.269 -9.499 5.736 1.00 0.00 C ATOM 497 C THR A 704 8.290 -10.418 5.074 1.00 0.00 C ATOM 498 O THR A 704 9.297 -9.959 4.538 1.00 0.00 O ATOM 499 CB THR A 704 6.066 -9.322 4.790 1.00 0.00 C ATOM 500 OG1 THR A 704 5.379 -10.568 4.632 1.00 0.00 O ATOM 501 CG2 THR A 704 6.517 -8.809 3.431 1.00 0.00 C ATOM 0 H THR A 704 7.719 -7.481 5.391 1.00 0.00 H new ATOM 0 HA THR A 704 6.927 -9.951 6.667 1.00 0.00 H new ATOM 0 HB THR A 704 5.390 -8.589 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 704 4.615 -10.446 4.031 1.00 0.00 H new ATOM 0 HG21 THR A 704 5.650 -8.692 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 704 7.013 -7.846 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 704 7.212 -9.521 2.985 1.00 0.00 H new ATOM 509 N GLY A 705 8.021 -11.720 5.115 1.00 0.00 N ATOM 510 CA GLY A 705 8.926 -12.683 4.515 1.00 0.00 C ATOM 511 C GLY A 705 9.984 -13.167 5.486 1.00 0.00 C ATOM 512 O GLY A 705 11.165 -12.859 5.330 1.00 0.00 O ATOM 0 H GLY A 705 7.193 -12.124 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 705 8.354 -13.536 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 705 9.411 -12.231 3.650 1.00 0.00 H new ATOM 516 N GLU A 706 9.560 -13.926 6.491 1.00 0.00 N ATOM 517 CA GLU A 706 10.481 -14.451 7.492 1.00 0.00 C ATOM 518 C GLU A 706 10.581 -15.971 7.396 1.00 0.00 C ATOM 519 O GLU A 706 9.857 -16.697 8.077 1.00 0.00 O ATOM 520 CB GLU A 706 10.027 -14.048 8.897 1.00 0.00 C ATOM 521 CG GLU A 706 10.435 -12.637 9.286 1.00 0.00 C ATOM 522 CD GLU A 706 9.934 -12.243 10.662 1.00 0.00 C ATOM 523 OE1 GLU A 706 8.721 -11.976 10.796 1.00 0.00 O ATOM 524 OE2 GLU A 706 10.753 -12.201 11.603 1.00 0.00 O ATOM 0 H GLU A 706 8.585 -14.191 6.634 1.00 0.00 H new ATOM 0 HA GLU A 706 11.466 -14.026 7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 706 8.942 -14.133 8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 706 10.443 -14.750 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 706 11.522 -12.558 9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 706 10.048 -11.934 8.548 1.00 0.00 H new ATOM 531 N LYS A 707 11.484 -16.446 6.544 1.00 0.00 N ATOM 532 CA LYS A 707 11.681 -17.878 6.357 1.00 0.00 C ATOM 533 C LYS A 707 12.929 -18.151 5.523 1.00 0.00 C ATOM 534 O LYS A 707 12.854 -18.598 4.378 1.00 0.00 O ATOM 535 CB LYS A 707 10.456 -18.498 5.680 1.00 0.00 C ATOM 536 CG LYS A 707 10.286 -19.979 5.969 1.00 0.00 C ATOM 537 CD LYS A 707 11.108 -20.832 5.017 1.00 0.00 C ATOM 538 CE LYS A 707 10.519 -22.226 4.867 1.00 0.00 C ATOM 539 NZ LYS A 707 11.216 -23.013 3.813 1.00 0.00 N ATOM 0 H LYS A 707 12.091 -15.859 5.972 1.00 0.00 H new ATOM 0 HA LYS A 707 11.815 -18.333 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 707 9.562 -17.967 6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 707 10.535 -18.353 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 707 10.586 -20.187 6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 707 9.233 -20.249 5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 707 11.154 -20.348 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 707 12.131 -20.906 5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 707 10.587 -22.753 5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 707 9.460 -22.148 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 11.121 -24.028 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 10.791 -22.806 2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 12.224 -22.756 3.797 1.00 0.00 H new ATOM 553 N PRO A 708 14.104 -17.878 6.108 1.00 0.00 N ATOM 554 CA PRO A 708 15.390 -18.089 5.438 1.00 0.00 C ATOM 555 C PRO A 708 15.714 -19.568 5.255 1.00 0.00 C ATOM 556 O PRO A 708 16.429 -19.947 4.328 1.00 0.00 O ATOM 557 CB PRO A 708 16.397 -17.434 6.387 1.00 0.00 C ATOM 558 CG PRO A 708 15.743 -17.484 7.725 1.00 0.00 C ATOM 559 CD PRO A 708 14.268 -17.343 7.471 1.00 0.00 C ATOM 0 HA PRO A 708 15.398 -17.671 4.432 1.00 0.00 H new ATOM 0 HB2 PRO A 708 17.346 -17.971 6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 708 16.612 -16.408 6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 708 15.963 -18.423 8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 708 16.107 -16.682 8.367 1.00 0.00 H new ATOM 0 HD2 PRO A 708 13.680 -17.905 8.197 1.00 0.00 H new ATOM 0 HD3 PRO A 708 13.947 -16.304 7.536 1.00 0.00 H new ATOM 567 N SER A 709 15.181 -20.399 6.145 1.00 0.00 N ATOM 568 CA SER A 709 15.416 -21.837 6.084 1.00 0.00 C ATOM 569 C SER A 709 14.856 -22.424 4.792 1.00 0.00 C ATOM 570 O SER A 709 13.955 -21.855 4.177 1.00 0.00 O ATOM 571 CB SER A 709 14.781 -22.531 7.290 1.00 0.00 C ATOM 572 OG SER A 709 13.537 -21.939 7.623 1.00 0.00 O ATOM 0 H SER A 709 14.584 -20.101 6.917 1.00 0.00 H new ATOM 0 HA SER A 709 16.493 -22.005 6.103 1.00 0.00 H new ATOM 0 HB2 SER A 709 14.637 -23.589 7.070 1.00 0.00 H new ATOM 0 HB3 SER A 709 15.456 -22.472 8.144 1.00 0.00 H new ATOM 0 HG SER A 709 13.151 -22.402 8.396 1.00 0.00 H new ATOM 578 N GLY A 710 15.397 -23.569 4.386 1.00 0.00 N ATOM 579 CA GLY A 710 14.939 -24.216 3.170 1.00 0.00 C ATOM 580 C GLY A 710 14.005 -25.378 3.447 1.00 0.00 C ATOM 581 O GLY A 710 13.635 -25.645 4.590 1.00 0.00 O ATOM 0 H GLY A 710 16.144 -24.060 4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 710 14.428 -23.485 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 710 15.800 -24.573 2.606 1.00 0.00 H new ATOM 585 N PRO A 711 13.608 -26.089 2.382 1.00 0.00 N ATOM 586 CA PRO A 711 12.706 -27.239 2.491 1.00 0.00 C ATOM 587 C PRO A 711 13.369 -28.435 3.165 1.00 0.00 C ATOM 588 O PRO A 711 12.692 -29.355 3.625 1.00 0.00 O ATOM 589 CB PRO A 711 12.370 -27.566 1.033 1.00 0.00 C ATOM 590 CG PRO A 711 13.527 -27.045 0.252 1.00 0.00 C ATOM 591 CD PRO A 711 14.010 -25.827 0.990 1.00 0.00 C ATOM 0 HA PRO A 711 11.833 -27.015 3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 711 12.244 -28.639 0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 711 11.438 -27.091 0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 711 14.316 -27.794 0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 711 13.229 -26.792 -0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 711 15.089 -25.704 0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 711 13.552 -24.916 0.604 1.00 0.00 H new ATOM 599 N SER A 712 14.697 -28.416 3.222 1.00 0.00 N ATOM 600 CA SER A 712 15.452 -29.501 3.837 1.00 0.00 C ATOM 601 C SER A 712 15.109 -29.628 5.319 1.00 0.00 C ATOM 602 O SER A 712 14.699 -30.692 5.783 1.00 0.00 O ATOM 603 CB SER A 712 16.954 -29.265 3.668 1.00 0.00 C ATOM 604 OG SER A 712 17.244 -28.718 2.394 1.00 0.00 O ATOM 0 H SER A 712 15.272 -27.661 2.849 1.00 0.00 H new ATOM 0 HA SER A 712 15.179 -30.430 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 712 17.309 -28.590 4.447 1.00 0.00 H new ATOM 0 HB3 SER A 712 17.490 -30.206 3.794 1.00 0.00 H new ATOM 0 HG SER A 712 18.210 -28.575 2.312 1.00 0.00 H new ATOM 610 N SER A 713 15.281 -28.536 6.056 1.00 0.00 N ATOM 611 CA SER A 713 14.994 -28.525 7.485 1.00 0.00 C ATOM 612 C SER A 713 13.617 -27.928 7.759 1.00 0.00 C ATOM 613 O SER A 713 13.141 -27.071 7.015 1.00 0.00 O ATOM 614 CB SER A 713 16.065 -27.731 8.236 1.00 0.00 C ATOM 615 OG SER A 713 16.176 -26.415 7.724 1.00 0.00 O ATOM 0 H SER A 713 15.618 -27.647 5.687 1.00 0.00 H new ATOM 0 HA SER A 713 15.001 -29.556 7.839 1.00 0.00 H new ATOM 0 HB2 SER A 713 15.817 -27.692 9.297 1.00 0.00 H new ATOM 0 HB3 SER A 713 17.025 -28.240 8.152 1.00 0.00 H new ATOM 0 HG SER A 713 16.865 -25.928 8.221 1.00 0.00 H new ATOM 621 N GLY A 714 12.982 -28.388 8.833 1.00 0.00 N ATOM 622 CA GLY A 714 11.666 -27.889 9.186 1.00 0.00 C ATOM 623 C GLY A 714 11.475 -27.767 10.685 1.00 0.00 C ATOM 624 O GLY A 714 12.117 -28.504 11.432 1.00 0.00 O ATOM 0 H GLY A 714 13.355 -29.097 9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 714 11.514 -26.914 8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 714 10.906 -28.557 8.779 1.00 0.00 H new TER 628 GLY A 714 HETATM 629 ZN ZN A 201 9.195 -0.296 6.220 1.00 0.00 ZN