USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 304 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 699 HIS HE2 : A 699 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 703 HIS HE2 : A 703 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 679 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Set 1.2: A 682 GLN : amide:sc= -1.82 K(o=-1.8,f=-3.1) USER MOD Single : A 670 SER OG : rot 40:sc= 0.993 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 180:sc= 0 USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.17) USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 691 SER OG : rot 180:sc= 0.135 USER MOD Single : A 692 GLN : amide:sc=-0.00261 X(o=-0.0026,f=0) USER MOD Single : A 693 THR OG1 : rot 180:sc=8.34e-05 USER MOD Single : A 694 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 695 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0225) USER MOD Single : A 700 GLN : amide:sc= -0.0611 K(o=-0.061,f=-1.7!) USER MOD Single : A 704 THR OG1 : rot 180:sc= 0 USER MOD Single : A 707 LYS NZ :NH3+ -167:sc= -0.0458 (180deg=-0.25) USER MOD Single : A 709 SER OG : rot 180:sc= 0 USER MOD Single : A 712 SER OG : rot 53:sc= 0.103 USER MOD Single : A 713 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 669 -20.695 16.416 19.075 1.00 0.00 N ATOM 2 CA GLY A 669 -19.813 17.201 18.232 1.00 0.00 C ATOM 3 C GLY A 669 -18.747 16.357 17.563 1.00 0.00 C ATOM 4 O GLY A 669 -19.048 15.535 16.698 1.00 0.00 O ATOM 0 HA2 GLY A 669 -20.402 17.709 17.468 1.00 0.00 H new ATOM 0 HA3 GLY A 669 -19.335 17.975 18.833 1.00 0.00 H new ATOM 8 N SER A 670 -17.496 16.560 17.964 1.00 0.00 N ATOM 9 CA SER A 670 -16.380 15.815 17.394 1.00 0.00 C ATOM 10 C SER A 670 -15.124 15.983 18.244 1.00 0.00 C ATOM 11 O SER A 670 -14.917 17.024 18.867 1.00 0.00 O ATOM 12 CB SER A 670 -16.106 16.280 15.963 1.00 0.00 C ATOM 13 OG SER A 670 -16.860 15.526 15.029 1.00 0.00 O ATOM 0 H SER A 670 -17.230 17.234 18.682 1.00 0.00 H new ATOM 0 HA SER A 670 -16.650 14.759 17.380 1.00 0.00 H new ATOM 0 HB2 SER A 670 -16.354 17.337 15.867 1.00 0.00 H new ATOM 0 HB3 SER A 670 -15.043 16.181 15.742 1.00 0.00 H new ATOM 0 HG SER A 670 -17.758 15.364 15.388 1.00 0.00 H new ATOM 19 N SER A 671 -14.288 14.949 18.264 1.00 0.00 N ATOM 20 CA SER A 671 -13.054 14.979 19.040 1.00 0.00 C ATOM 21 C SER A 671 -12.032 15.915 18.400 1.00 0.00 C ATOM 22 O SER A 671 -11.701 16.962 18.955 1.00 0.00 O ATOM 23 CB SER A 671 -12.467 13.571 19.159 1.00 0.00 C ATOM 24 OG SER A 671 -11.190 13.602 19.772 1.00 0.00 O ATOM 0 H SER A 671 -14.443 14.081 17.752 1.00 0.00 H new ATOM 0 HA SER A 671 -13.290 15.353 20.036 1.00 0.00 H new ATOM 0 HB2 SER A 671 -13.139 12.941 19.742 1.00 0.00 H new ATOM 0 HB3 SER A 671 -12.388 13.121 18.169 1.00 0.00 H new ATOM 0 HG SER A 671 -10.837 12.690 19.838 1.00 0.00 H new ATOM 30 N GLY A 672 -11.537 15.529 17.228 1.00 0.00 N ATOM 31 CA GLY A 672 -10.559 16.344 16.532 1.00 0.00 C ATOM 32 C GLY A 672 -10.145 15.744 15.203 1.00 0.00 C ATOM 33 O GLY A 672 -10.692 14.727 14.776 1.00 0.00 O ATOM 0 H GLY A 672 -11.796 14.667 16.748 1.00 0.00 H new ATOM 0 HA2 GLY A 672 -10.972 17.339 16.365 1.00 0.00 H new ATOM 0 HA3 GLY A 672 -9.678 16.466 17.162 1.00 0.00 H new ATOM 37 N SER A 673 -9.178 16.375 14.545 1.00 0.00 N ATOM 38 CA SER A 673 -8.695 15.900 13.254 1.00 0.00 C ATOM 39 C SER A 673 -7.181 15.712 13.276 1.00 0.00 C ATOM 40 O SER A 673 -6.424 16.656 13.055 1.00 0.00 O ATOM 41 CB SER A 673 -9.082 16.883 12.148 1.00 0.00 C ATOM 42 OG SER A 673 -10.449 17.246 12.243 1.00 0.00 O ATOM 0 H SER A 673 -8.713 17.217 14.885 1.00 0.00 H new ATOM 0 HA SER A 673 -9.161 14.935 13.052 1.00 0.00 H new ATOM 0 HB2 SER A 673 -8.460 17.775 12.216 1.00 0.00 H new ATOM 0 HB3 SER A 673 -8.889 16.434 11.174 1.00 0.00 H new ATOM 0 HG SER A 673 -10.671 17.876 11.526 1.00 0.00 H new ATOM 48 N SER A 674 -6.748 14.484 13.543 1.00 0.00 N ATOM 49 CA SER A 674 -5.325 14.171 13.598 1.00 0.00 C ATOM 50 C SER A 674 -4.887 13.412 12.349 1.00 0.00 C ATOM 51 O SER A 674 -3.854 13.716 11.755 1.00 0.00 O ATOM 52 CB SER A 674 -5.011 13.344 14.847 1.00 0.00 C ATOM 53 OG SER A 674 -3.644 12.971 14.881 1.00 0.00 O ATOM 0 H SER A 674 -7.362 13.690 13.725 1.00 0.00 H new ATOM 0 HA SER A 674 -4.773 15.110 13.644 1.00 0.00 H new ATOM 0 HB2 SER A 674 -5.256 13.920 15.739 1.00 0.00 H new ATOM 0 HB3 SER A 674 -5.635 12.451 14.862 1.00 0.00 H new ATOM 0 HG SER A 674 -3.468 12.445 15.689 1.00 0.00 H new ATOM 59 N GLY A 675 -5.682 12.421 11.956 1.00 0.00 N ATOM 60 CA GLY A 675 -5.361 11.634 10.781 1.00 0.00 C ATOM 61 C GLY A 675 -6.563 11.416 9.883 1.00 0.00 C ATOM 62 O GLY A 675 -7.674 11.187 10.363 1.00 0.00 O ATOM 0 H GLY A 675 -6.543 12.150 12.431 1.00 0.00 H new ATOM 0 HA2 GLY A 675 -4.575 12.135 10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 675 -4.964 10.668 11.092 1.00 0.00 H new ATOM 66 N THR A 676 -6.342 11.489 8.573 1.00 0.00 N ATOM 67 CA THR A 676 -7.416 11.301 7.606 1.00 0.00 C ATOM 68 C THR A 676 -7.198 10.039 6.780 1.00 0.00 C ATOM 69 O THR A 676 -8.147 9.451 6.263 1.00 0.00 O ATOM 70 CB THR A 676 -7.534 12.508 6.656 1.00 0.00 C ATOM 71 OG1 THR A 676 -8.559 12.269 5.685 1.00 0.00 O ATOM 72 CG2 THR A 676 -6.212 12.773 5.951 1.00 0.00 C ATOM 0 H THR A 676 -5.429 11.677 8.159 1.00 0.00 H new ATOM 0 HA THR A 676 -8.340 11.204 8.176 1.00 0.00 H new ATOM 0 HB THR A 676 -7.794 13.385 7.249 1.00 0.00 H new ATOM 0 HG1 THR A 676 -8.629 13.041 5.086 1.00 0.00 H new ATOM 0 HG21 THR A 676 -6.320 13.630 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 676 -5.441 12.984 6.692 1.00 0.00 H new ATOM 0 HG23 THR A 676 -5.927 11.896 5.370 1.00 0.00 H new ATOM 80 N GLY A 677 -5.939 9.625 6.661 1.00 0.00 N ATOM 81 CA GLY A 677 -5.619 8.434 5.897 1.00 0.00 C ATOM 82 C GLY A 677 -5.069 8.757 4.522 1.00 0.00 C ATOM 83 O GLY A 677 -5.740 9.394 3.711 1.00 0.00 O ATOM 0 H GLY A 677 -5.136 10.094 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 677 -4.889 7.839 6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 677 -6.515 7.822 5.792 1.00 0.00 H new ATOM 87 N GLY A 678 -3.842 8.318 4.259 1.00 0.00 N ATOM 88 CA GLY A 678 -3.222 8.576 2.972 1.00 0.00 C ATOM 89 C GLY A 678 -2.035 7.671 2.709 1.00 0.00 C ATOM 90 O GLY A 678 -1.132 8.022 1.949 1.00 0.00 O ATOM 0 H GLY A 678 -3.266 7.789 4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 678 -3.961 8.440 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 678 -2.898 9.616 2.930 1.00 0.00 H new ATOM 94 N LYS A 679 -2.033 6.501 3.340 1.00 0.00 N ATOM 95 CA LYS A 679 -0.948 5.542 3.171 1.00 0.00 C ATOM 96 C LYS A 679 -1.477 4.208 2.656 1.00 0.00 C ATOM 97 O LYS A 679 -1.481 3.199 3.362 1.00 0.00 O ATOM 98 CB LYS A 679 -0.213 5.334 4.498 1.00 0.00 C ATOM 99 CG LYS A 679 0.317 6.619 5.108 1.00 0.00 C ATOM 100 CD LYS A 679 0.667 6.437 6.575 1.00 0.00 C ATOM 101 CE LYS A 679 0.917 7.773 7.259 1.00 0.00 C ATOM 102 NZ LYS A 679 2.344 8.189 7.158 1.00 0.00 N ATOM 0 H LYS A 679 -2.771 6.194 3.973 1.00 0.00 H new ATOM 0 HA LYS A 679 -0.251 5.944 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -0.889 4.857 5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 679 0.618 4.647 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 679 1.201 6.945 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -0.430 7.406 5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -0.144 5.914 7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 679 1.554 5.810 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 679 0.283 8.536 6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 679 0.633 7.702 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 2.548 8.907 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 2.958 7.363 7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 2.523 8.588 6.214 1.00 0.00 H new ATOM 116 N PRO A 680 -1.932 4.198 1.394 1.00 0.00 N ATOM 117 CA PRO A 680 -2.470 2.993 0.756 1.00 0.00 C ATOM 118 C PRO A 680 -1.389 1.954 0.477 1.00 0.00 C ATOM 119 O PRO A 680 -1.584 0.762 0.718 1.00 0.00 O ATOM 120 CB PRO A 680 -3.057 3.519 -0.557 1.00 0.00 C ATOM 121 CG PRO A 680 -2.289 4.762 -0.844 1.00 0.00 C ATOM 122 CD PRO A 680 -1.957 5.363 0.494 1.00 0.00 C ATOM 0 HA PRO A 680 -3.196 2.485 1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 680 -2.946 2.791 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 680 -4.123 3.726 -0.459 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -1.383 4.539 -1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 680 -2.877 5.454 -1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -0.996 5.878 0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -2.704 6.094 0.803 1.00 0.00 H new ATOM 130 N TYR A 681 -0.251 2.412 -0.031 1.00 0.00 N ATOM 131 CA TYR A 681 0.860 1.521 -0.345 1.00 0.00 C ATOM 132 C TYR A 681 2.071 1.832 0.530 1.00 0.00 C ATOM 133 O TYR A 681 2.895 0.959 0.800 1.00 0.00 O ATOM 134 CB TYR A 681 1.238 1.644 -1.822 1.00 0.00 C ATOM 135 CG TYR A 681 1.578 3.055 -2.245 1.00 0.00 C ATOM 136 CD1 TYR A 681 2.828 3.600 -1.977 1.00 0.00 C ATOM 137 CD2 TYR A 681 0.649 3.843 -2.913 1.00 0.00 C ATOM 138 CE1 TYR A 681 3.142 4.889 -2.361 1.00 0.00 C ATOM 139 CE2 TYR A 681 0.955 5.133 -3.302 1.00 0.00 C ATOM 140 CZ TYR A 681 2.203 5.652 -3.024 1.00 0.00 C ATOM 141 OH TYR A 681 2.513 6.936 -3.409 1.00 0.00 O ATOM 0 H TYR A 681 -0.073 3.396 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 681 0.541 0.498 -0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 681 2.092 0.997 -2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 681 0.411 1.280 -2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 681 3.566 3.005 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 681 -0.329 3.440 -3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 681 4.118 5.298 -2.143 1.00 0.00 H new ATOM 0 HE2 TYR A 681 0.221 5.732 -3.821 1.00 0.00 H new ATOM 0 HH TYR A 681 1.743 7.336 -3.865 1.00 0.00 H new ATOM 151 N GLN A 682 2.170 3.083 0.968 1.00 0.00 N ATOM 152 CA GLN A 682 3.280 3.510 1.812 1.00 0.00 C ATOM 153 C GLN A 682 3.437 2.584 3.014 1.00 0.00 C ATOM 154 O GLN A 682 2.466 2.277 3.706 1.00 0.00 O ATOM 155 CB GLN A 682 3.064 4.948 2.286 1.00 0.00 C ATOM 156 CG GLN A 682 4.067 5.401 3.334 1.00 0.00 C ATOM 157 CD GLN A 682 3.796 6.806 3.834 1.00 0.00 C ATOM 158 OE1 GLN A 682 3.051 7.565 3.213 1.00 0.00 O ATOM 159 NE2 GLN A 682 4.400 7.161 4.962 1.00 0.00 N ATOM 0 H GLN A 682 1.496 3.818 0.753 1.00 0.00 H new ATOM 0 HA GLN A 682 4.193 3.464 1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 682 3.121 5.617 1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 682 2.058 5.040 2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 682 4.044 4.709 4.176 1.00 0.00 H new ATOM 0 HG3 GLN A 682 5.071 5.357 2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 682 5.009 6.500 5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 682 4.255 8.095 5.346 1.00 0.00 H new ATOM 168 N CYS A 683 4.666 2.142 3.257 1.00 0.00 N ATOM 169 CA CYS A 683 4.952 1.251 4.375 1.00 0.00 C ATOM 170 C CYS A 683 4.400 1.820 5.679 1.00 0.00 C ATOM 171 O CYS A 683 4.645 2.977 6.017 1.00 0.00 O ATOM 172 CB CYS A 683 6.460 1.026 4.502 1.00 0.00 C ATOM 173 SG CYS A 683 6.923 -0.215 5.753 1.00 0.00 S ATOM 0 H CYS A 683 5.481 2.387 2.694 1.00 0.00 H new ATOM 0 HA CYS A 683 4.464 0.296 4.180 1.00 0.00 H new ATOM 0 HB2 CYS A 683 6.853 0.715 3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 683 6.938 1.973 4.751 1.00 0.00 H new ATOM 178 N ASN A 684 3.653 0.996 6.408 1.00 0.00 N ATOM 179 CA ASN A 684 3.065 1.417 7.675 1.00 0.00 C ATOM 180 C ASN A 684 3.819 0.807 8.853 1.00 0.00 C ATOM 181 O ASN A 684 3.826 1.361 9.951 1.00 0.00 O ATOM 182 CB ASN A 684 1.590 1.015 7.735 1.00 0.00 C ATOM 183 CG ASN A 684 0.737 1.798 6.756 1.00 0.00 C ATOM 184 OD1 ASN A 684 0.566 1.397 5.605 1.00 0.00 O ATOM 185 ND2 ASN A 684 0.197 2.923 7.211 1.00 0.00 N ATOM 0 H ASN A 684 3.441 0.034 6.143 1.00 0.00 H new ATOM 0 HA ASN A 684 3.141 2.502 7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 684 1.498 -0.050 7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 684 1.214 1.172 8.746 1.00 0.00 H new ATOM 0 HD21 ASN A 684 -0.386 3.493 6.598 1.00 0.00 H new ATOM 0 HD22 ASN A 684 0.366 3.217 8.173 1.00 0.00 H new ATOM 192 N GLU A 685 4.452 -0.338 8.614 1.00 0.00 N ATOM 193 CA GLU A 685 5.208 -1.023 9.656 1.00 0.00 C ATOM 194 C GLU A 685 6.202 -0.074 10.320 1.00 0.00 C ATOM 195 O GLU A 685 6.307 -0.026 11.546 1.00 0.00 O ATOM 196 CB GLU A 685 5.949 -2.227 9.071 1.00 0.00 C ATOM 197 CG GLU A 685 5.030 -3.256 8.433 1.00 0.00 C ATOM 198 CD GLU A 685 4.214 -4.023 9.455 1.00 0.00 C ATOM 199 OE1 GLU A 685 4.803 -4.848 10.185 1.00 0.00 O ATOM 200 OE2 GLU A 685 2.988 -3.799 9.525 1.00 0.00 O ATOM 0 H GLU A 685 4.456 -0.810 7.710 1.00 0.00 H new ATOM 0 HA GLU A 685 4.503 -1.371 10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 685 6.662 -1.877 8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 685 6.525 -2.708 9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 685 4.356 -2.755 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 685 5.626 -3.957 7.849 1.00 0.00 H new ATOM 207 N CYS A 686 6.929 0.678 9.502 1.00 0.00 N ATOM 208 CA CYS A 686 7.916 1.626 10.008 1.00 0.00 C ATOM 209 C CYS A 686 7.535 3.056 9.638 1.00 0.00 C ATOM 210 O CYS A 686 7.899 4.005 10.331 1.00 0.00 O ATOM 211 CB CYS A 686 9.302 1.295 9.452 1.00 0.00 C ATOM 212 SG CYS A 686 9.451 1.509 7.649 1.00 0.00 S ATOM 0 H CYS A 686 6.854 0.650 8.485 1.00 0.00 H new ATOM 0 HA CYS A 686 7.939 1.545 11.095 1.00 0.00 H new ATOM 0 HB2 CYS A 686 10.040 1.928 9.944 1.00 0.00 H new ATOM 0 HB3 CYS A 686 9.547 0.264 9.706 1.00 0.00 H new ATOM 217 N GLY A 687 6.799 3.203 8.540 1.00 0.00 N ATOM 218 CA GLY A 687 6.381 4.520 8.098 1.00 0.00 C ATOM 219 C GLY A 687 7.322 5.111 7.067 1.00 0.00 C ATOM 220 O GLY A 687 7.732 6.266 7.178 1.00 0.00 O ATOM 0 H GLY A 687 6.485 2.433 7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 687 5.378 4.457 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 687 6.324 5.187 8.958 1.00 0.00 H new ATOM 224 N LYS A 688 7.668 4.316 6.059 1.00 0.00 N ATOM 225 CA LYS A 688 8.568 4.765 5.003 1.00 0.00 C ATOM 226 C LYS A 688 7.855 4.789 3.655 1.00 0.00 C ATOM 227 O LYS A 688 7.155 3.842 3.296 1.00 0.00 O ATOM 228 CB LYS A 688 9.794 3.854 4.928 1.00 0.00 C ATOM 229 CG LYS A 688 10.923 4.422 4.085 1.00 0.00 C ATOM 230 CD LYS A 688 12.224 3.672 4.317 1.00 0.00 C ATOM 231 CE LYS A 688 13.427 4.496 3.884 1.00 0.00 C ATOM 232 NZ LYS A 688 14.688 4.009 4.509 1.00 0.00 N ATOM 0 H LYS A 688 7.338 3.357 5.952 1.00 0.00 H new ATOM 0 HA LYS A 688 8.891 5.778 5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 688 10.162 3.671 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 688 9.495 2.889 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 688 10.654 4.367 3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 688 11.062 5.476 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 688 12.316 3.419 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 688 12.207 2.733 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 688 13.521 4.458 2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 688 13.268 5.540 4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 15.484 4.597 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 14.608 4.069 5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 14.854 3.021 4.231 1.00 0.00 H new ATOM 246 N ALA A 689 8.039 5.875 2.912 1.00 0.00 N ATOM 247 CA ALA A 689 7.416 6.019 1.602 1.00 0.00 C ATOM 248 C ALA A 689 8.467 6.112 0.502 1.00 0.00 C ATOM 249 O ALA A 689 9.545 6.672 0.704 1.00 0.00 O ATOM 250 CB ALA A 689 6.515 7.245 1.578 1.00 0.00 C ATOM 0 H ALA A 689 8.615 6.668 3.195 1.00 0.00 H new ATOM 0 HA ALA A 689 6.810 5.132 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 689 6.056 7.340 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 689 5.736 7.139 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 689 7.107 8.136 1.790 1.00 0.00 H new ATOM 256 N PHE A 690 8.148 5.559 -0.663 1.00 0.00 N ATOM 257 CA PHE A 690 9.066 5.577 -1.796 1.00 0.00 C ATOM 258 C PHE A 690 8.401 6.188 -3.026 1.00 0.00 C ATOM 259 O PHE A 690 7.237 6.586 -2.982 1.00 0.00 O ATOM 260 CB PHE A 690 9.547 4.160 -2.113 1.00 0.00 C ATOM 261 CG PHE A 690 10.328 3.528 -0.997 1.00 0.00 C ATOM 262 CD1 PHE A 690 9.682 3.026 0.121 1.00 0.00 C ATOM 263 CD2 PHE A 690 11.709 3.436 -1.066 1.00 0.00 C ATOM 264 CE1 PHE A 690 10.398 2.444 1.150 1.00 0.00 C ATOM 265 CE2 PHE A 690 12.430 2.854 -0.041 1.00 0.00 C ATOM 266 CZ PHE A 690 11.774 2.358 1.069 1.00 0.00 C ATOM 0 H PHE A 690 7.260 5.092 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 690 9.924 6.192 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 690 8.684 3.535 -2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 690 10.167 4.187 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 690 8.606 3.090 0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 690 12.227 3.824 -1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 690 9.882 2.057 2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 690 13.506 2.787 -0.108 1.00 0.00 H new ATOM 0 HZ PHE A 690 12.336 1.904 1.872 1.00 0.00 H new ATOM 276 N SER A 691 9.149 6.260 -4.122 1.00 0.00 N ATOM 277 CA SER A 691 8.634 6.826 -5.363 1.00 0.00 C ATOM 278 C SER A 691 7.568 5.920 -5.973 1.00 0.00 C ATOM 279 O SER A 691 6.385 6.256 -5.981 1.00 0.00 O ATOM 280 CB SER A 691 9.773 7.037 -6.363 1.00 0.00 C ATOM 281 OG SER A 691 10.604 5.892 -6.439 1.00 0.00 O ATOM 0 H SER A 691 10.114 5.933 -4.176 1.00 0.00 H new ATOM 0 HA SER A 691 8.179 7.789 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 691 9.360 7.257 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 691 10.366 7.902 -6.066 1.00 0.00 H new ATOM 0 HG SER A 691 11.323 6.052 -7.086 1.00 0.00 H new ATOM 287 N GLN A 692 7.998 4.770 -6.481 1.00 0.00 N ATOM 288 CA GLN A 692 7.082 3.815 -7.093 1.00 0.00 C ATOM 289 C GLN A 692 6.847 2.620 -6.175 1.00 0.00 C ATOM 290 O GLN A 692 7.646 2.345 -5.279 1.00 0.00 O ATOM 291 CB GLN A 692 7.631 3.339 -8.439 1.00 0.00 C ATOM 292 CG GLN A 692 6.553 2.889 -9.411 1.00 0.00 C ATOM 293 CD GLN A 692 7.126 2.288 -10.680 1.00 0.00 C ATOM 294 OE1 GLN A 692 6.815 1.151 -11.037 1.00 0.00 O ATOM 295 NE2 GLN A 692 7.968 3.049 -11.369 1.00 0.00 N ATOM 0 H GLN A 692 8.975 4.477 -6.481 1.00 0.00 H new ATOM 0 HA GLN A 692 6.129 4.318 -7.255 1.00 0.00 H new ATOM 0 HB2 GLN A 692 8.205 4.147 -8.894 1.00 0.00 H new ATOM 0 HB3 GLN A 692 8.322 2.514 -8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 692 5.912 2.155 -8.923 1.00 0.00 H new ATOM 0 HG3 GLN A 692 5.923 3.740 -9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 692 8.198 3.985 -11.037 1.00 0.00 H new ATOM 0 HE22 GLN A 692 8.385 2.697 -12.231 1.00 0.00 H new ATOM 304 N THR A 693 5.745 1.912 -6.402 1.00 0.00 N ATOM 305 CA THR A 693 5.404 0.748 -5.595 1.00 0.00 C ATOM 306 C THR A 693 6.426 -0.368 -5.780 1.00 0.00 C ATOM 307 O THR A 693 6.608 -1.208 -4.899 1.00 0.00 O ATOM 308 CB THR A 693 4.004 0.210 -5.948 1.00 0.00 C ATOM 309 OG1 THR A 693 3.876 0.070 -7.367 1.00 0.00 O ATOM 310 CG2 THR A 693 2.919 1.141 -5.426 1.00 0.00 C ATOM 0 H THR A 693 5.073 2.125 -7.139 1.00 0.00 H new ATOM 0 HA THR A 693 5.409 1.073 -4.554 1.00 0.00 H new ATOM 0 HB THR A 693 3.884 -0.765 -5.475 1.00 0.00 H new ATOM 0 HG1 THR A 693 2.984 -0.274 -7.583 1.00 0.00 H new ATOM 0 HG21 THR A 693 1.939 0.741 -5.687 1.00 0.00 H new ATOM 0 HG22 THR A 693 3.000 1.223 -4.342 1.00 0.00 H new ATOM 0 HG23 THR A 693 3.039 2.127 -5.874 1.00 0.00 H new ATOM 318 N SER A 694 7.090 -0.370 -6.932 1.00 0.00 N ATOM 319 CA SER A 694 8.092 -1.386 -7.233 1.00 0.00 C ATOM 320 C SER A 694 9.141 -1.459 -6.128 1.00 0.00 C ATOM 321 O SER A 694 9.179 -2.415 -5.353 1.00 0.00 O ATOM 322 CB SER A 694 8.767 -1.084 -8.573 1.00 0.00 C ATOM 323 OG SER A 694 10.050 -1.682 -8.644 1.00 0.00 O ATOM 0 H SER A 694 6.952 0.319 -7.671 1.00 0.00 H new ATOM 0 HA SER A 694 7.588 -2.351 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 694 8.145 -1.453 -9.388 1.00 0.00 H new ATOM 0 HB3 SER A 694 8.857 -0.006 -8.703 1.00 0.00 H new ATOM 0 HG SER A 694 10.460 -1.476 -9.510 1.00 0.00 H new ATOM 329 N LYS A 695 9.993 -0.441 -6.061 1.00 0.00 N ATOM 330 CA LYS A 695 11.043 -0.387 -5.050 1.00 0.00 C ATOM 331 C LYS A 695 10.465 -0.592 -3.654 1.00 0.00 C ATOM 332 O LYS A 695 11.100 -1.200 -2.791 1.00 0.00 O ATOM 333 CB LYS A 695 11.776 0.955 -5.119 1.00 0.00 C ATOM 334 CG LYS A 695 13.250 0.862 -4.765 1.00 0.00 C ATOM 335 CD LYS A 695 13.741 2.128 -4.085 1.00 0.00 C ATOM 336 CE LYS A 695 13.987 3.242 -5.091 1.00 0.00 C ATOM 337 NZ LYS A 695 15.253 3.037 -5.848 1.00 0.00 N ATOM 0 H LYS A 695 9.977 0.358 -6.695 1.00 0.00 H new ATOM 0 HA LYS A 695 11.750 -1.191 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 695 11.678 1.362 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 695 11.292 1.659 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 695 13.414 0.008 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 695 13.832 0.685 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 695 13.006 2.456 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 695 14.662 1.917 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 695 13.151 3.292 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 695 14.026 4.199 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 695 15.436 3.866 -6.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 695 16.041 2.913 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 695 15.168 2.189 -6.444 1.00 0.00 H new ATOM 351 N LEU A 696 9.257 -0.082 -3.437 1.00 0.00 N ATOM 352 CA LEU A 696 8.593 -0.211 -2.145 1.00 0.00 C ATOM 353 C LEU A 696 8.406 -1.678 -1.773 1.00 0.00 C ATOM 354 O LEU A 696 8.592 -2.065 -0.619 1.00 0.00 O ATOM 355 CB LEU A 696 7.237 0.497 -2.174 1.00 0.00 C ATOM 356 CG LEU A 696 6.297 0.194 -1.007 1.00 0.00 C ATOM 357 CD1 LEU A 696 6.861 0.749 0.292 1.00 0.00 C ATOM 358 CD2 LEU A 696 4.912 0.764 -1.275 1.00 0.00 C ATOM 0 H LEU A 696 8.718 0.425 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 696 9.225 0.258 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 696 7.412 1.572 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.730 0.230 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 696 6.210 -0.888 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 696 6.178 0.523 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 696 7.831 0.293 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 696 6.979 1.829 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 696 4.257 0.539 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 696 4.981 1.844 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 696 4.504 0.318 -2.182 1.00 0.00 H new ATOM 370 N ALA A 697 8.039 -2.491 -2.758 1.00 0.00 N ATOM 371 CA ALA A 697 7.831 -3.916 -2.535 1.00 0.00 C ATOM 372 C ALA A 697 9.091 -4.575 -1.984 1.00 0.00 C ATOM 373 O ALA A 697 9.016 -5.535 -1.217 1.00 0.00 O ATOM 374 CB ALA A 697 7.400 -4.595 -3.826 1.00 0.00 C ATOM 0 H ALA A 697 7.880 -2.187 -3.718 1.00 0.00 H new ATOM 0 HA ALA A 697 7.039 -4.031 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 697 7.248 -5.659 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 697 6.469 -4.151 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 697 8.174 -4.463 -4.582 1.00 0.00 H new ATOM 380 N ARG A 698 10.247 -4.054 -2.380 1.00 0.00 N ATOM 381 CA ARG A 698 11.524 -4.594 -1.927 1.00 0.00 C ATOM 382 C ARG A 698 11.803 -4.190 -0.483 1.00 0.00 C ATOM 383 O ARG A 698 12.515 -4.887 0.241 1.00 0.00 O ATOM 384 CB ARG A 698 12.658 -4.106 -2.832 1.00 0.00 C ATOM 385 CG ARG A 698 12.773 -4.881 -4.135 1.00 0.00 C ATOM 386 CD ARG A 698 11.669 -4.500 -5.109 1.00 0.00 C ATOM 387 NE ARG A 698 11.907 -5.039 -6.445 1.00 0.00 N ATOM 388 CZ ARG A 698 10.957 -5.176 -7.363 1.00 0.00 C ATOM 389 NH1 ARG A 698 9.711 -4.814 -7.091 1.00 0.00 N ATOM 390 NH2 ARG A 698 11.253 -5.674 -8.556 1.00 0.00 N ATOM 0 H ARG A 698 10.326 -3.259 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 698 11.469 -5.681 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 698 12.502 -3.051 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 698 13.601 -4.180 -2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 698 13.744 -4.687 -4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 698 12.725 -5.950 -3.929 1.00 0.00 H new ATOM 0 HD2 ARG A 698 10.713 -4.867 -4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 698 11.594 -3.414 -5.165 1.00 0.00 H new ATOM 0 HE ARG A 698 12.855 -5.326 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 698 9.480 -4.429 -6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 698 8.983 -4.920 -7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 698 12.211 -5.952 -8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 698 10.523 -5.779 -9.260 1.00 0.00 H new ATOM 404 N HIS A 699 11.236 -3.061 -0.069 1.00 0.00 N ATOM 405 CA HIS A 699 11.424 -2.565 1.290 1.00 0.00 C ATOM 406 C HIS A 699 10.634 -3.405 2.289 1.00 0.00 C ATOM 407 O HIS A 699 11.084 -3.638 3.410 1.00 0.00 O ATOM 408 CB HIS A 699 10.993 -1.100 1.384 1.00 0.00 C ATOM 409 CG HIS A 699 10.982 -0.569 2.785 1.00 0.00 C ATOM 410 ND1 HIS A 699 12.131 -0.249 3.477 1.00 0.00 N ATOM 411 CD2 HIS A 699 9.953 -0.299 3.621 1.00 0.00 C ATOM 412 CE1 HIS A 699 11.809 0.192 4.680 1.00 0.00 C ATOM 413 NE2 HIS A 699 10.493 0.172 4.792 1.00 0.00 N ATOM 0 H HIS A 699 10.643 -2.473 -0.655 1.00 0.00 H new ATOM 0 HA HIS A 699 12.483 -2.641 1.536 1.00 0.00 H new ATOM 0 HB2 HIS A 699 11.666 -0.492 0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 699 9.996 -0.995 0.956 1.00 0.00 H new ATOM 0 HD1 HIS A 699 13.081 -0.339 3.116 1.00 0.00 H new ATOM 0 HD2 HIS A 699 8.903 -0.430 3.407 1.00 0.00 H new ATOM 0 HE1 HIS A 699 12.503 0.514 5.442 1.00 0.00 H new ATOM 421 N GLN A 700 9.454 -3.856 1.874 1.00 0.00 N ATOM 422 CA GLN A 700 8.602 -4.668 2.733 1.00 0.00 C ATOM 423 C GLN A 700 9.325 -5.937 3.174 1.00 0.00 C ATOM 424 O GLN A 700 8.977 -6.541 4.188 1.00 0.00 O ATOM 425 CB GLN A 700 7.306 -5.031 2.006 1.00 0.00 C ATOM 426 CG GLN A 700 6.517 -3.823 1.529 1.00 0.00 C ATOM 427 CD GLN A 700 5.083 -4.164 1.177 1.00 0.00 C ATOM 428 OE1 GLN A 700 4.595 -5.249 1.495 1.00 0.00 O ATOM 429 NE2 GLN A 700 4.398 -3.238 0.516 1.00 0.00 N ATOM 0 H GLN A 700 9.067 -3.672 0.948 1.00 0.00 H new ATOM 0 HA GLN A 700 8.360 -4.083 3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 700 7.544 -5.660 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 700 6.679 -5.624 2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 700 6.524 -3.059 2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 700 7.009 -3.394 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 700 4.842 -2.352 0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 700 3.428 -3.412 0.252 1.00 0.00 H new ATOM 438 N ARG A 701 10.332 -6.336 2.403 1.00 0.00 N ATOM 439 CA ARG A 701 11.102 -7.534 2.713 1.00 0.00 C ATOM 440 C ARG A 701 11.603 -7.501 4.154 1.00 0.00 C ATOM 441 O ARG A 701 11.471 -8.478 4.891 1.00 0.00 O ATOM 442 CB ARG A 701 12.286 -7.668 1.753 1.00 0.00 C ATOM 443 CG ARG A 701 11.876 -7.923 0.312 1.00 0.00 C ATOM 444 CD ARG A 701 11.675 -9.407 0.045 1.00 0.00 C ATOM 445 NE ARG A 701 11.834 -9.734 -1.369 1.00 0.00 N ATOM 446 CZ ARG A 701 11.836 -10.977 -1.840 1.00 0.00 C ATOM 447 NH1 ARG A 701 11.689 -12.003 -1.013 1.00 0.00 N ATOM 448 NH2 ARG A 701 11.987 -11.194 -3.140 1.00 0.00 N ATOM 0 H ARG A 701 10.633 -5.847 1.560 1.00 0.00 H new ATOM 0 HA ARG A 701 10.447 -8.397 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 701 12.883 -6.757 1.796 1.00 0.00 H new ATOM 0 HB3 ARG A 701 12.925 -8.484 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 701 10.954 -7.385 0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 701 12.640 -7.531 -0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 701 12.391 -9.981 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 701 10.680 -9.704 0.376 1.00 0.00 H new ATOM 0 HE ARG A 701 11.950 -8.967 -2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 701 11.574 -11.839 -0.013 1.00 0.00 H new ATOM 0 HH12 ARG A 701 11.691 -12.956 -1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 701 12.102 -10.407 -3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 701 11.989 -12.148 -3.501 1.00 0.00 H new ATOM 462 N VAL A 702 12.180 -6.370 4.549 1.00 0.00 N ATOM 463 CA VAL A 702 12.700 -6.209 5.901 1.00 0.00 C ATOM 464 C VAL A 702 11.650 -6.581 6.942 1.00 0.00 C ATOM 465 O VAL A 702 11.980 -7.044 8.035 1.00 0.00 O ATOM 466 CB VAL A 702 13.168 -4.763 6.154 1.00 0.00 C ATOM 467 CG1 VAL A 702 14.191 -4.343 5.110 1.00 0.00 C ATOM 468 CG2 VAL A 702 11.980 -3.813 6.161 1.00 0.00 C ATOM 0 H VAL A 702 12.299 -5.552 3.951 1.00 0.00 H new ATOM 0 HA VAL A 702 13.553 -6.881 5.994 1.00 0.00 H new ATOM 0 HB VAL A 702 13.645 -4.719 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 702 14.510 -3.319 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 702 15.054 -5.007 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 702 13.743 -4.401 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 702 12.328 -2.796 6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 702 11.473 -3.858 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 702 11.286 -4.104 6.950 1.00 0.00 H new ATOM 478 N HIS A 703 10.383 -6.376 6.596 1.00 0.00 N ATOM 479 CA HIS A 703 9.283 -6.691 7.501 1.00 0.00 C ATOM 480 C HIS A 703 8.765 -8.105 7.255 1.00 0.00 C ATOM 481 O HIS A 703 8.960 -9.001 8.077 1.00 0.00 O ATOM 482 CB HIS A 703 8.147 -5.682 7.328 1.00 0.00 C ATOM 483 CG HIS A 703 8.586 -4.257 7.469 1.00 0.00 C ATOM 484 ND1 HIS A 703 8.856 -3.670 8.687 1.00 0.00 N ATOM 485 CD2 HIS A 703 8.801 -3.300 6.536 1.00 0.00 C ATOM 486 CE1 HIS A 703 9.218 -2.414 8.498 1.00 0.00 C ATOM 487 NE2 HIS A 703 9.193 -2.164 7.201 1.00 0.00 N ATOM 0 H HIS A 703 10.093 -5.993 5.696 1.00 0.00 H new ATOM 0 HA HIS A 703 9.658 -6.633 8.523 1.00 0.00 H new ATOM 0 HB2 HIS A 703 7.696 -5.819 6.345 1.00 0.00 H new ATOM 0 HB3 HIS A 703 7.372 -5.890 8.066 1.00 0.00 H new ATOM 0 HD1 HIS A 703 8.787 -4.134 9.593 1.00 0.00 H new ATOM 0 HD2 HIS A 703 8.686 -3.409 5.468 1.00 0.00 H new ATOM 0 HE1 HIS A 703 9.488 -1.711 9.272 1.00 0.00 H new ATOM 495 N THR A 704 8.104 -8.298 6.117 1.00 0.00 N ATOM 496 CA THR A 704 7.557 -9.602 5.764 1.00 0.00 C ATOM 497 C THR A 704 8.629 -10.684 5.827 1.00 0.00 C ATOM 498 O THR A 704 9.818 -10.401 5.691 1.00 0.00 O ATOM 499 CB THR A 704 6.940 -9.588 4.352 1.00 0.00 C ATOM 500 OG1 THR A 704 6.246 -10.817 4.109 1.00 0.00 O ATOM 501 CG2 THR A 704 8.015 -9.389 3.294 1.00 0.00 C ATOM 0 H THR A 704 7.935 -7.568 5.425 1.00 0.00 H new ATOM 0 HA THR A 704 6.777 -9.825 6.492 1.00 0.00 H new ATOM 0 HB THR A 704 6.237 -8.757 4.294 1.00 0.00 H new ATOM 0 HG1 THR A 704 5.855 -10.800 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 704 7.556 -9.383 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 704 8.522 -8.439 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 704 8.738 -10.202 3.353 1.00 0.00 H new ATOM 509 N GLY A 705 8.199 -11.925 6.034 1.00 0.00 N ATOM 510 CA GLY A 705 9.135 -13.031 6.111 1.00 0.00 C ATOM 511 C GLY A 705 8.446 -14.380 6.054 1.00 0.00 C ATOM 512 O GLY A 705 7.975 -14.799 4.997 1.00 0.00 O ATOM 0 H GLY A 705 7.219 -12.184 6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 705 9.849 -12.956 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 705 9.705 -12.957 7.037 1.00 0.00 H new ATOM 516 N GLU A 706 8.387 -15.061 7.194 1.00 0.00 N ATOM 517 CA GLU A 706 7.752 -16.372 7.268 1.00 0.00 C ATOM 518 C GLU A 706 6.239 -16.236 7.418 1.00 0.00 C ATOM 519 O GLU A 706 5.753 -15.489 8.267 1.00 0.00 O ATOM 520 CB GLU A 706 8.322 -17.174 8.439 1.00 0.00 C ATOM 521 CG GLU A 706 7.864 -18.623 8.464 1.00 0.00 C ATOM 522 CD GLU A 706 8.044 -19.268 9.825 1.00 0.00 C ATOM 523 OE1 GLU A 706 7.401 -18.804 10.790 1.00 0.00 O ATOM 524 OE2 GLU A 706 8.826 -20.236 9.925 1.00 0.00 O ATOM 0 H GLU A 706 8.771 -14.727 8.078 1.00 0.00 H new ATOM 0 HA GLU A 706 7.961 -16.902 6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 706 9.411 -17.147 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 706 8.031 -16.694 9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 706 6.813 -18.673 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 706 8.424 -19.190 7.720 1.00 0.00 H new ATOM 531 N LYS A 707 5.500 -16.963 6.587 1.00 0.00 N ATOM 532 CA LYS A 707 4.043 -16.926 6.626 1.00 0.00 C ATOM 533 C LYS A 707 3.447 -17.959 5.676 1.00 0.00 C ATOM 534 O LYS A 707 2.900 -17.628 4.624 1.00 0.00 O ATOM 535 CB LYS A 707 3.538 -15.529 6.259 1.00 0.00 C ATOM 536 CG LYS A 707 2.049 -15.339 6.493 1.00 0.00 C ATOM 537 CD LYS A 707 1.473 -14.270 5.579 1.00 0.00 C ATOM 538 CE LYS A 707 2.105 -12.912 5.843 1.00 0.00 C ATOM 539 NZ LYS A 707 1.882 -12.459 7.244 1.00 0.00 N ATOM 0 H LYS A 707 5.887 -17.586 5.878 1.00 0.00 H new ATOM 0 HA LYS A 707 3.725 -17.166 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 707 4.086 -14.789 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 707 3.760 -15.336 5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 707 1.530 -16.282 6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 707 1.876 -15.062 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 707 1.636 -14.552 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 707 0.395 -14.206 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 707 3.175 -12.965 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 707 1.689 -12.178 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 2.128 -11.452 7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 0.882 -12.593 7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 2.480 -13.015 7.888 1.00 0.00 H new ATOM 553 N PRO A 708 3.552 -19.242 6.054 1.00 0.00 N ATOM 554 CA PRO A 708 3.027 -20.350 5.250 1.00 0.00 C ATOM 555 C PRO A 708 1.503 -20.379 5.229 1.00 0.00 C ATOM 556 O PRO A 708 0.857 -20.343 6.277 1.00 0.00 O ATOM 557 CB PRO A 708 3.576 -21.592 5.957 1.00 0.00 C ATOM 558 CG PRO A 708 3.799 -21.159 7.365 1.00 0.00 C ATOM 559 CD PRO A 708 4.191 -19.709 7.296 1.00 0.00 C ATOM 0 HA PRO A 708 3.324 -20.272 4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 708 2.871 -22.421 5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 708 4.503 -21.933 5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 708 2.896 -21.291 7.961 1.00 0.00 H new ATOM 0 HG3 PRO A 708 4.582 -21.753 7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 708 3.835 -19.155 8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 708 5.274 -19.586 7.262 1.00 0.00 H new ATOM 567 N SER A 709 0.933 -20.446 4.030 1.00 0.00 N ATOM 568 CA SER A 709 -0.516 -20.477 3.873 1.00 0.00 C ATOM 569 C SER A 709 -1.064 -21.871 4.163 1.00 0.00 C ATOM 570 O SER A 709 -0.949 -22.779 3.341 1.00 0.00 O ATOM 571 CB SER A 709 -0.906 -20.048 2.457 1.00 0.00 C ATOM 572 OG SER A 709 -2.284 -20.275 2.217 1.00 0.00 O ATOM 0 H SER A 709 1.453 -20.480 3.153 1.00 0.00 H new ATOM 0 HA SER A 709 -0.949 -19.779 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 709 -0.679 -18.991 2.318 1.00 0.00 H new ATOM 0 HB3 SER A 709 -0.311 -20.600 1.729 1.00 0.00 H new ATOM 0 HG SER A 709 -2.508 -19.991 1.306 1.00 0.00 H new ATOM 578 N GLY A 710 -1.661 -22.032 5.340 1.00 0.00 N ATOM 579 CA GLY A 710 -2.219 -23.317 5.720 1.00 0.00 C ATOM 580 C GLY A 710 -2.062 -23.603 7.200 1.00 0.00 C ATOM 581 O GLY A 710 -1.699 -22.729 7.988 1.00 0.00 O ATOM 0 H GLY A 710 -1.768 -21.295 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 710 -3.277 -23.342 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 710 -1.731 -24.105 5.147 1.00 0.00 H new ATOM 585 N PRO A 711 -2.341 -24.853 7.598 1.00 0.00 N ATOM 586 CA PRO A 711 -2.237 -25.280 8.997 1.00 0.00 C ATOM 587 C PRO A 711 -0.791 -25.345 9.477 1.00 0.00 C ATOM 588 O PRO A 711 0.105 -25.734 8.728 1.00 0.00 O ATOM 589 CB PRO A 711 -2.861 -26.678 8.988 1.00 0.00 C ATOM 590 CG PRO A 711 -2.683 -27.163 7.591 1.00 0.00 C ATOM 591 CD PRO A 711 -2.779 -25.946 6.714 1.00 0.00 C ATOM 0 HA PRO A 711 -2.730 -24.582 9.674 1.00 0.00 H new ATOM 0 HB2 PRO A 711 -2.367 -27.337 9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 711 -3.915 -26.643 9.264 1.00 0.00 H new ATOM 0 HG2 PRO A 711 -1.719 -27.656 7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 711 -3.450 -27.893 7.331 1.00 0.00 H new ATOM 0 HD2 PRO A 711 -2.140 -26.033 5.835 1.00 0.00 H new ATOM 0 HD3 PRO A 711 -3.796 -25.789 6.354 1.00 0.00 H new ATOM 599 N SER A 712 -0.571 -24.962 10.731 1.00 0.00 N ATOM 600 CA SER A 712 0.767 -24.974 11.310 1.00 0.00 C ATOM 601 C SER A 712 0.953 -26.181 12.224 1.00 0.00 C ATOM 602 O SER A 712 0.713 -26.104 13.429 1.00 0.00 O ATOM 603 CB SER A 712 1.019 -23.684 12.092 1.00 0.00 C ATOM 604 OG SER A 712 -0.093 -23.357 12.908 1.00 0.00 O ATOM 0 H SER A 712 -1.302 -24.640 11.365 1.00 0.00 H new ATOM 0 HA SER A 712 1.488 -25.043 10.495 1.00 0.00 H new ATOM 0 HB2 SER A 712 1.908 -23.799 12.712 1.00 0.00 H new ATOM 0 HB3 SER A 712 1.218 -22.867 11.398 1.00 0.00 H new ATOM 0 HG SER A 712 -0.324 -24.126 13.469 1.00 0.00 H new ATOM 610 N SER A 713 1.382 -27.296 11.642 1.00 0.00 N ATOM 611 CA SER A 713 1.597 -28.522 12.402 1.00 0.00 C ATOM 612 C SER A 713 2.851 -28.413 13.265 1.00 0.00 C ATOM 613 O SER A 713 3.713 -27.570 13.023 1.00 0.00 O ATOM 614 CB SER A 713 1.717 -29.719 11.457 1.00 0.00 C ATOM 615 OG SER A 713 0.439 -30.191 11.067 1.00 0.00 O ATOM 0 H SER A 713 1.588 -27.376 10.646 1.00 0.00 H new ATOM 0 HA SER A 713 0.738 -28.670 13.056 1.00 0.00 H new ATOM 0 HB2 SER A 713 2.288 -29.433 10.573 1.00 0.00 H new ATOM 0 HB3 SER A 713 2.270 -30.520 11.948 1.00 0.00 H new ATOM 0 HG SER A 713 0.543 -30.955 10.462 1.00 0.00 H new ATOM 621 N GLY A 714 2.944 -29.275 14.273 1.00 0.00 N ATOM 622 CA GLY A 714 4.095 -29.260 15.157 1.00 0.00 C ATOM 623 C GLY A 714 4.045 -30.366 16.193 1.00 0.00 C ATOM 624 O GLY A 714 4.275 -31.523 15.844 1.00 0.00 O ATOM 0 H GLY A 714 2.243 -29.983 14.493 1.00 0.00 H new ATOM 0 HA2 GLY A 714 5.005 -29.361 14.565 1.00 0.00 H new ATOM 0 HA3 GLY A 714 4.149 -28.296 15.662 1.00 0.00 H new TER 628 GLY A 714 HETATM 629 ZN ZN A 201 9.122 -0.269 6.328 1.00 0.00 ZN