USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 255 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 Set 1.1: A 680 ASN : amide:sc= -2.12 K(o=-2.1,f=-2.8!) USER MOD Set 1.2: A 681 LYS NZ :NH3+ -175:sc= -0.0194 (180deg=0) USER MOD Set 2.1: A 661 TYR OH : rot 60:sc= 1.56 USER MOD Set 2.2: A 662 TYR OH : rot 180:sc= 0.181 USER MOD Single : A 654 TYR OH : rot 127:sc= 0.319 USER MOD Single : A 655 SER OG : rot -51:sc= -5.96! USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 664 SER OG : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.227) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 THR OG1 : rot 56:sc= -0.47 USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.7!) USER MOD Single : A 683 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 15.364 3.563 -2.821 1.00 0.00 N ATOM 2 CA GLY A 651 16.179 3.054 -1.684 1.00 0.00 C ATOM 3 C GLY A 651 15.333 2.715 -0.472 1.00 0.00 C ATOM 4 O GLY A 651 14.711 3.594 0.123 1.00 0.00 O ATOM 0 HA2 GLY A 651 16.726 2.166 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 651 16.921 3.804 -1.408 1.00 0.00 H new ATOM 9 N ALA A 652 15.306 1.436 -0.109 1.00 0.00 N ATOM 10 CA ALA A 652 14.529 0.981 1.035 1.00 0.00 C ATOM 11 C ALA A 652 13.040 1.200 0.803 1.00 0.00 C ATOM 12 O ALA A 652 12.537 2.314 0.933 1.00 0.00 O ATOM 13 CB ALA A 652 14.976 1.689 2.305 1.00 0.00 C ATOM 0 H ALA A 652 15.815 0.696 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 652 14.703 -0.088 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 652 14.382 1.334 3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 652 16.029 1.477 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 652 14.837 2.764 2.190 1.00 0.00 H new ATOM 19 N ASP A 653 12.341 0.125 0.461 1.00 0.00 N ATOM 20 CA ASP A 653 10.909 0.189 0.213 1.00 0.00 C ATOM 21 C ASP A 653 10.257 -1.145 0.536 1.00 0.00 C ATOM 22 O ASP A 653 10.182 -2.038 -0.308 1.00 0.00 O ATOM 23 CB ASP A 653 10.632 0.577 -1.240 1.00 0.00 C ATOM 24 CG ASP A 653 10.785 2.066 -1.480 1.00 0.00 C ATOM 25 OD1 ASP A 653 11.937 2.547 -1.510 1.00 0.00 O ATOM 26 OD2 ASP A 653 9.752 2.750 -1.640 1.00 0.00 O ATOM 0 H ASP A 653 12.746 -0.804 0.349 1.00 0.00 H new ATOM 0 HA ASP A 653 10.481 0.953 0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 653 11.314 0.034 -1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 653 9.621 0.270 -1.509 1.00 0.00 H new ATOM 31 N TYR A 654 9.795 -1.272 1.771 1.00 0.00 N ATOM 32 CA TYR A 654 9.153 -2.496 2.230 1.00 0.00 C ATOM 33 C TYR A 654 7.650 -2.332 2.292 1.00 0.00 C ATOM 34 O TYR A 654 6.899 -3.186 1.821 1.00 0.00 O ATOM 35 CB TYR A 654 9.686 -2.894 3.604 1.00 0.00 C ATOM 36 CG TYR A 654 9.799 -1.733 4.569 1.00 0.00 C ATOM 37 CD1 TYR A 654 10.850 -0.831 4.475 1.00 0.00 C ATOM 38 CD2 TYR A 654 8.866 -1.550 5.584 1.00 0.00 C ATOM 39 CE1 TYR A 654 10.970 0.220 5.362 1.00 0.00 C ATOM 40 CE2 TYR A 654 8.977 -0.497 6.472 1.00 0.00 C ATOM 41 CZ TYR A 654 10.032 0.383 6.357 1.00 0.00 C ATOM 42 OH TYR A 654 10.149 1.430 7.244 1.00 0.00 O ATOM 0 H TYR A 654 9.853 -0.538 2.477 1.00 0.00 H new ATOM 0 HA TYR A 654 9.386 -3.284 1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 654 9.030 -3.651 4.034 1.00 0.00 H new ATOM 0 HB3 TYR A 654 10.667 -3.354 3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 654 11.586 -0.954 3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 654 8.042 -2.242 5.680 1.00 0.00 H new ATOM 0 HE1 TYR A 654 11.796 0.911 5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 654 8.241 -0.364 7.252 1.00 0.00 H new ATOM 0 HH TYR A 654 9.313 1.941 7.259 1.00 0.00 H new ATOM 52 N SER A 655 7.216 -1.223 2.860 1.00 0.00 N ATOM 53 CA SER A 655 5.798 -0.936 2.967 1.00 0.00 C ATOM 54 C SER A 655 5.300 -0.282 1.688 1.00 0.00 C ATOM 55 O SER A 655 4.281 0.408 1.675 1.00 0.00 O ATOM 56 CB SER A 655 5.530 -0.046 4.174 1.00 0.00 C ATOM 57 OG SER A 655 6.638 -0.062 5.057 1.00 0.00 O ATOM 0 H SER A 655 7.825 -0.506 3.254 1.00 0.00 H new ATOM 0 HA SER A 655 5.255 -1.871 3.107 1.00 0.00 H new ATOM 0 HB2 SER A 655 5.334 0.974 3.845 1.00 0.00 H new ATOM 0 HB3 SER A 655 4.637 -0.389 4.696 1.00 0.00 H new ATOM 0 HG SER A 655 6.882 -0.989 5.259 1.00 0.00 H new ATOM 63 N ALA A 656 6.029 -0.531 0.610 1.00 0.00 N ATOM 64 CA ALA A 656 5.687 -0.015 -0.695 1.00 0.00 C ATOM 65 C ALA A 656 5.277 -1.162 -1.588 1.00 0.00 C ATOM 66 O ALA A 656 4.357 -1.041 -2.396 1.00 0.00 O ATOM 67 CB ALA A 656 6.866 0.713 -1.317 1.00 0.00 C ATOM 0 H ALA A 656 6.876 -1.099 0.622 1.00 0.00 H new ATOM 0 HA ALA A 656 4.864 0.692 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 656 6.583 1.092 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 656 7.158 1.546 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 656 7.705 0.025 -1.422 1.00 0.00 H new ATOM 73 N GLN A 657 5.972 -2.285 -1.436 1.00 0.00 N ATOM 74 CA GLN A 657 5.673 -3.450 -2.240 1.00 0.00 C ATOM 75 C GLN A 657 4.287 -3.987 -1.904 1.00 0.00 C ATOM 76 O GLN A 657 3.629 -4.596 -2.748 1.00 0.00 O ATOM 77 CB GLN A 657 6.733 -4.536 -2.043 1.00 0.00 C ATOM 78 CG GLN A 657 7.288 -5.085 -3.348 1.00 0.00 C ATOM 79 CD GLN A 657 8.231 -6.253 -3.133 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.217 -6.144 -2.405 1.00 0.00 O ATOM 81 NE2 GLN A 657 7.932 -7.380 -3.769 1.00 0.00 N ATOM 0 H GLN A 657 6.735 -2.406 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 657 5.685 -3.152 -3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.553 -4.129 -1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 657 6.300 -5.355 -1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 657 6.462 -5.402 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.814 -4.291 -3.878 1.00 0.00 H new ATOM 0 HE21 GLN A 657 7.104 -7.426 -4.363 1.00 0.00 H new ATOM 0 HE22 GLN A 657 8.530 -8.199 -3.663 1.00 0.00 H new ATOM 90 N TRP A 658 3.835 -3.740 -0.676 1.00 0.00 N ATOM 91 CA TRP A 658 2.514 -4.185 -0.264 1.00 0.00 C ATOM 92 C TRP A 658 1.507 -3.098 -0.574 1.00 0.00 C ATOM 93 O TRP A 658 0.375 -3.367 -0.964 1.00 0.00 O ATOM 94 CB TRP A 658 2.470 -4.524 1.230 1.00 0.00 C ATOM 95 CG TRP A 658 3.044 -5.867 1.551 1.00 0.00 C ATOM 96 CD1 TRP A 658 2.399 -6.940 2.094 1.00 0.00 C ATOM 97 CD2 TRP A 658 4.393 -6.269 1.348 1.00 0.00 C ATOM 98 NE1 TRP A 658 3.277 -7.990 2.238 1.00 0.00 N ATOM 99 CE2 TRP A 658 4.511 -7.598 1.786 1.00 0.00 C ATOM 100 CE3 TRP A 658 5.510 -5.623 0.833 1.00 0.00 C ATOM 101 CZ2 TRP A 658 5.714 -8.296 1.723 1.00 0.00 C ATOM 102 CZ3 TRP A 658 6.707 -6.310 0.770 1.00 0.00 C ATOM 103 CH2 TRP A 658 6.801 -7.637 1.212 1.00 0.00 C ATOM 0 H TRP A 658 4.360 -3.240 0.041 1.00 0.00 H new ATOM 0 HA TRP A 658 2.271 -5.094 -0.815 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.017 -3.761 1.784 1.00 0.00 H new ATOM 0 HB3 TRP A 658 1.436 -4.487 1.573 1.00 0.00 H new ATOM 0 HD1 TRP A 658 1.355 -6.962 2.370 1.00 0.00 H new ATOM 0 HE1 TRP A 658 3.048 -8.908 2.618 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.444 -4.602 0.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 5.788 -9.318 2.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 7.583 -5.818 0.374 1.00 0.00 H new ATOM 0 HH2 TRP A 658 7.749 -8.150 1.148 1.00 0.00 H new ATOM 114 N ALA A 659 1.944 -1.858 -0.417 1.00 0.00 N ATOM 115 CA ALA A 659 1.097 -0.722 -0.702 1.00 0.00 C ATOM 116 C ALA A 659 1.070 -0.444 -2.201 1.00 0.00 C ATOM 117 O ALA A 659 0.361 0.451 -2.658 1.00 0.00 O ATOM 118 CB ALA A 659 1.572 0.499 0.074 1.00 0.00 C ATOM 0 H ALA A 659 2.881 -1.618 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 659 0.080 -0.951 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 659 0.925 1.347 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 659 1.536 0.288 1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 659 2.596 0.738 -0.214 1.00 0.00 H new ATOM 124 N GLU A 660 1.844 -1.221 -2.966 1.00 0.00 N ATOM 125 CA GLU A 660 1.890 -1.048 -4.408 1.00 0.00 C ATOM 126 C GLU A 660 0.912 -1.979 -5.101 1.00 0.00 C ATOM 127 O GLU A 660 0.210 -1.576 -6.028 1.00 0.00 O ATOM 128 CB GLU A 660 3.307 -1.280 -4.936 1.00 0.00 C ATOM 129 CG GLU A 660 4.163 -0.024 -4.950 1.00 0.00 C ATOM 130 CD GLU A 660 5.633 -0.323 -5.175 1.00 0.00 C ATOM 131 OE1 GLU A 660 6.240 -0.995 -4.315 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.176 0.116 -6.210 1.00 0.00 O ATOM 0 H GLU A 660 2.440 -1.968 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 660 1.599 -0.021 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.796 -2.036 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.248 -1.681 -5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 660 3.808 0.645 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.044 0.503 -4.003 1.00 0.00 H new ATOM 139 N TYR A 661 0.856 -3.220 -4.645 1.00 0.00 N ATOM 140 CA TYR A 661 -0.059 -4.186 -5.231 1.00 0.00 C ATOM 141 C TYR A 661 -1.485 -3.930 -4.747 1.00 0.00 C ATOM 142 O TYR A 661 -2.447 -4.413 -5.342 1.00 0.00 O ATOM 143 CB TYR A 661 0.393 -5.616 -4.922 1.00 0.00 C ATOM 144 CG TYR A 661 -0.018 -6.124 -3.560 1.00 0.00 C ATOM 145 CD1 TYR A 661 0.515 -5.578 -2.397 1.00 0.00 C ATOM 146 CD2 TYR A 661 -0.937 -7.159 -3.441 1.00 0.00 C ATOM 147 CE1 TYR A 661 0.134 -6.055 -1.153 1.00 0.00 C ATOM 148 CE2 TYR A 661 -1.317 -7.637 -2.203 1.00 0.00 C ATOM 149 CZ TYR A 661 -0.780 -7.083 -1.063 1.00 0.00 C ATOM 150 OH TYR A 661 -1.155 -7.559 0.172 1.00 0.00 O ATOM 0 H TYR A 661 1.426 -3.579 -3.880 1.00 0.00 H new ATOM 0 HA TYR A 661 -0.048 -4.066 -6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 661 -0.013 -6.284 -5.682 1.00 0.00 H new ATOM 0 HB3 TYR A 661 1.479 -5.665 -5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 661 1.233 -4.774 -2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 661 -1.361 -7.597 -4.332 1.00 0.00 H new ATOM 0 HE1 TYR A 661 0.552 -5.622 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 661 -2.033 -8.442 -2.129 1.00 0.00 H new ATOM 0 HH TYR A 661 -1.557 -6.834 0.694 1.00 0.00 H new ATOM 160 N TYR A 662 -1.615 -3.137 -3.684 1.00 0.00 N ATOM 161 CA TYR A 662 -2.926 -2.789 -3.152 1.00 0.00 C ATOM 162 C TYR A 662 -3.603 -1.787 -4.077 1.00 0.00 C ATOM 163 O TYR A 662 -4.829 -1.747 -4.182 1.00 0.00 O ATOM 164 CB TYR A 662 -2.802 -2.177 -1.755 1.00 0.00 C ATOM 165 CG TYR A 662 -2.523 -3.171 -0.649 1.00 0.00 C ATOM 166 CD1 TYR A 662 -3.028 -4.464 -0.688 1.00 0.00 C ATOM 167 CD2 TYR A 662 -1.752 -2.802 0.444 1.00 0.00 C ATOM 168 CE1 TYR A 662 -2.769 -5.360 0.333 1.00 0.00 C ATOM 169 CE2 TYR A 662 -1.487 -3.688 1.465 1.00 0.00 C ATOM 170 CZ TYR A 662 -1.997 -4.967 1.406 1.00 0.00 C ATOM 171 OH TYR A 662 -1.737 -5.857 2.424 1.00 0.00 O ATOM 0 H TYR A 662 -0.830 -2.726 -3.178 1.00 0.00 H new ATOM 0 HA TYR A 662 -3.522 -3.699 -3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.003 -1.436 -1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -3.725 -1.646 -1.523 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -3.632 -4.774 -1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -1.352 -1.800 0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -3.169 -6.362 0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -0.883 -3.382 2.307 1.00 0.00 H new ATOM 0 HH TYR A 662 -1.178 -5.424 3.103 1.00 0.00 H new ATOM 181 N ARG A 663 -2.788 -0.970 -4.745 1.00 0.00 N ATOM 182 CA ARG A 663 -3.298 0.042 -5.662 1.00 0.00 C ATOM 183 C ARG A 663 -3.891 -0.588 -6.920 1.00 0.00 C ATOM 184 O ARG A 663 -4.510 0.100 -7.730 1.00 0.00 O ATOM 185 CB ARG A 663 -2.185 1.018 -6.058 1.00 0.00 C ATOM 186 CG ARG A 663 -1.304 1.453 -4.898 1.00 0.00 C ATOM 187 CD ARG A 663 -2.048 2.373 -3.946 1.00 0.00 C ATOM 188 NE ARG A 663 -1.160 3.353 -3.325 1.00 0.00 N ATOM 189 CZ ARG A 663 -0.785 4.490 -3.909 1.00 0.00 C ATOM 190 NH1 ARG A 663 -1.217 4.794 -5.127 1.00 0.00 N ATOM 191 NH2 ARG A 663 0.024 5.325 -3.272 1.00 0.00 N ATOM 0 H ARG A 663 -1.771 -0.992 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 663 -4.089 0.582 -5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -1.561 0.552 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -2.635 1.902 -6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -0.954 0.574 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -0.421 1.963 -5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -2.839 2.892 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -2.531 1.778 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 663 -0.806 3.155 -2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -1.840 4.155 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -0.926 5.666 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 663 0.359 5.096 -2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 663 0.312 6.196 -3.718 1.00 0.00 H new ATOM 205 N SER A 664 -3.697 -1.895 -7.090 1.00 0.00 N ATOM 206 CA SER A 664 -4.217 -2.585 -8.264 1.00 0.00 C ATOM 207 C SER A 664 -5.066 -3.794 -7.885 1.00 0.00 C ATOM 208 O SER A 664 -5.379 -4.632 -8.732 1.00 0.00 O ATOM 209 CB SER A 664 -3.071 -3.015 -9.181 1.00 0.00 C ATOM 210 OG SER A 664 -2.218 -1.922 -9.478 1.00 0.00 O ATOM 0 H SER A 664 -3.189 -2.490 -6.436 1.00 0.00 H new ATOM 0 HA SER A 664 -4.859 -1.883 -8.795 1.00 0.00 H new ATOM 0 HB2 SER A 664 -2.497 -3.809 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 664 -3.476 -3.426 -10.106 1.00 0.00 H new ATOM 0 HG SER A 664 -1.493 -2.223 -10.064 1.00 0.00 H new ATOM 216 N VAL A 665 -5.451 -3.871 -6.621 1.00 0.00 N ATOM 217 CA VAL A 665 -6.281 -4.966 -6.140 1.00 0.00 C ATOM 218 C VAL A 665 -7.430 -4.413 -5.311 1.00 0.00 C ATOM 219 O VAL A 665 -7.859 -5.020 -4.331 1.00 0.00 O ATOM 220 CB VAL A 665 -5.473 -5.966 -5.291 1.00 0.00 C ATOM 221 CG1 VAL A 665 -6.321 -7.178 -4.938 1.00 0.00 C ATOM 222 CG2 VAL A 665 -4.207 -6.390 -6.022 1.00 0.00 C ATOM 0 H VAL A 665 -5.202 -3.186 -5.907 1.00 0.00 H new ATOM 0 HA VAL A 665 -6.667 -5.497 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 665 -5.183 -5.471 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -5.732 -7.872 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -7.194 -6.858 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -6.645 -7.674 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 665 -3.650 -7.096 -5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -4.474 -6.864 -6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -3.589 -5.514 -6.218 1.00 0.00 H new ATOM 232 N GLY A 666 -7.911 -3.237 -5.708 1.00 0.00 N ATOM 233 CA GLY A 666 -8.991 -2.599 -4.986 1.00 0.00 C ATOM 234 C GLY A 666 -8.606 -2.303 -3.556 1.00 0.00 C ATOM 235 O GLY A 666 -9.464 -2.217 -2.679 1.00 0.00 O ATOM 0 H GLY A 666 -7.570 -2.718 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -9.267 -1.672 -5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -9.870 -3.244 -5.001 1.00 0.00 H new ATOM 239 N LYS A 667 -7.306 -2.144 -3.323 1.00 0.00 N ATOM 240 CA LYS A 667 -6.811 -1.851 -1.987 1.00 0.00 C ATOM 241 C LYS A 667 -6.016 -0.555 -1.964 1.00 0.00 C ATOM 242 O LYS A 667 -5.291 -0.272 -1.014 1.00 0.00 O ATOM 243 CB LYS A 667 -5.959 -3.007 -1.462 1.00 0.00 C ATOM 244 CG LYS A 667 -6.775 -4.129 -0.837 1.00 0.00 C ATOM 245 CD LYS A 667 -5.968 -5.412 -0.728 1.00 0.00 C ATOM 246 CE LYS A 667 -6.860 -6.609 -0.442 1.00 0.00 C ATOM 247 NZ LYS A 667 -7.074 -7.446 -1.655 1.00 0.00 N ATOM 0 H LYS A 667 -6.583 -2.213 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 667 -7.675 -1.728 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.367 -3.413 -2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.257 -2.623 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -7.113 -3.826 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -7.667 -4.309 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -5.420 -5.578 -1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -5.228 -5.311 0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -6.411 -7.217 0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -7.823 -6.263 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -7.432 -8.381 -1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -7.767 -6.984 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -6.173 -7.559 -2.162 1.00 0.00 H new ATOM 261 N ILE A 668 -6.177 0.235 -3.013 1.00 0.00 N ATOM 262 CA ILE A 668 -5.491 1.517 -3.121 1.00 0.00 C ATOM 263 C ILE A 668 -5.698 2.348 -1.860 1.00 0.00 C ATOM 264 O ILE A 668 -4.800 3.064 -1.420 1.00 0.00 O ATOM 265 CB ILE A 668 -5.982 2.316 -4.350 1.00 0.00 C ATOM 266 CG1 ILE A 668 -5.481 3.764 -4.302 1.00 0.00 C ATOM 267 CG2 ILE A 668 -7.502 2.287 -4.427 1.00 0.00 C ATOM 268 CD1 ILE A 668 -5.641 4.503 -5.612 1.00 0.00 C ATOM 0 H ILE A 668 -6.779 0.012 -3.806 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.428 1.307 -3.243 1.00 0.00 H new ATOM 0 HB ILE A 668 -5.574 1.845 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -6.022 4.301 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -4.428 3.766 -4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -7.833 2.854 -5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.842 1.255 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -7.921 2.731 -3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -5.266 5.521 -5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -5.077 3.989 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -6.695 4.532 -5.887 1.00 0.00 H new ATOM 280 N GLU A 669 -6.888 2.242 -1.282 1.00 0.00 N ATOM 281 CA GLU A 669 -7.204 2.981 -0.066 1.00 0.00 C ATOM 282 C GLU A 669 -6.534 2.336 1.138 1.00 0.00 C ATOM 283 O GLU A 669 -5.922 3.017 1.960 1.00 0.00 O ATOM 284 CB GLU A 669 -8.718 3.051 0.141 1.00 0.00 C ATOM 285 CG GLU A 669 -9.363 1.695 0.377 1.00 0.00 C ATOM 286 CD GLU A 669 -10.873 1.778 0.480 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.509 2.250 -0.487 1.00 0.00 O ATOM 288 OE2 GLU A 669 -11.420 1.373 1.526 1.00 0.00 O ATOM 0 H GLU A 669 -7.646 1.656 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 669 -6.822 3.997 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -8.930 3.698 0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.175 3.514 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -9.094 1.022 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -8.963 1.261 1.294 1.00 0.00 H new ATOM 295 N GLU A 670 -6.639 1.016 1.228 1.00 0.00 N ATOM 296 CA GLU A 670 -6.025 0.282 2.325 1.00 0.00 C ATOM 297 C GLU A 670 -4.508 0.365 2.230 1.00 0.00 C ATOM 298 O GLU A 670 -3.807 0.265 3.236 1.00 0.00 O ATOM 299 CB GLU A 670 -6.477 -1.180 2.310 1.00 0.00 C ATOM 300 CG GLU A 670 -7.987 -1.349 2.245 1.00 0.00 C ATOM 301 CD GLU A 670 -8.505 -2.349 3.260 1.00 0.00 C ATOM 302 OE1 GLU A 670 -8.465 -2.043 4.470 1.00 0.00 O ATOM 303 OE2 GLU A 670 -8.953 -3.438 2.844 1.00 0.00 O ATOM 0 H GLU A 670 -7.142 0.435 0.557 1.00 0.00 H new ATOM 0 HA GLU A 670 -6.343 0.733 3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -6.026 -1.682 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -6.102 -1.677 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -8.465 -0.384 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -8.270 -1.673 1.244 1.00 0.00 H new ATOM 310 N ALA A 671 -4.004 0.562 1.013 1.00 0.00 N ATOM 311 CA ALA A 671 -2.572 0.672 0.799 1.00 0.00 C ATOM 312 C ALA A 671 -2.021 1.889 1.526 1.00 0.00 C ATOM 313 O ALA A 671 -0.890 1.873 2.011 1.00 0.00 O ATOM 314 CB ALA A 671 -2.263 0.756 -0.688 1.00 0.00 C ATOM 0 H ALA A 671 -4.567 0.648 0.167 1.00 0.00 H new ATOM 0 HA ALA A 671 -2.091 -0.219 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -1.186 0.838 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -2.628 -0.142 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -2.753 1.632 -1.113 1.00 0.00 H new ATOM 320 N GLU A 672 -2.833 2.943 1.610 1.00 0.00 N ATOM 321 CA GLU A 672 -2.424 4.166 2.292 1.00 0.00 C ATOM 322 C GLU A 672 -1.913 3.852 3.693 1.00 0.00 C ATOM 323 O GLU A 672 -0.977 4.482 4.182 1.00 0.00 O ATOM 324 CB GLU A 672 -3.590 5.152 2.367 1.00 0.00 C ATOM 325 CG GLU A 672 -4.022 5.691 1.013 1.00 0.00 C ATOM 326 CD GLU A 672 -4.648 7.069 1.106 1.00 0.00 C ATOM 327 OE1 GLU A 672 -4.131 7.906 1.875 1.00 0.00 O ATOM 328 OE2 GLU A 672 -5.656 7.311 0.409 1.00 0.00 O ATOM 0 H GLU A 672 -3.773 2.973 1.216 1.00 0.00 H new ATOM 0 HA GLU A 672 -1.616 4.622 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.440 4.661 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -3.307 5.987 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -3.158 5.733 0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -4.736 5.001 0.563 1.00 0.00 H new ATOM 335 N ALA A 673 -2.531 2.861 4.327 1.00 0.00 N ATOM 336 CA ALA A 673 -2.135 2.448 5.668 1.00 0.00 C ATOM 337 C ALA A 673 -0.722 1.918 5.670 1.00 0.00 C ATOM 338 O ALA A 673 0.187 2.521 6.241 1.00 0.00 O ATOM 339 CB ALA A 673 -3.065 1.366 6.183 1.00 0.00 C ATOM 0 H ALA A 673 -3.308 2.329 3.934 1.00 0.00 H new ATOM 0 HA ALA A 673 -2.193 3.323 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -2.757 1.068 7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -4.085 1.748 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -3.022 0.503 5.519 1.00 0.00 H new ATOM 345 N ILE A 674 -0.549 0.781 5.019 1.00 0.00 N ATOM 346 CA ILE A 674 0.754 0.156 4.933 1.00 0.00 C ATOM 347 C ILE A 674 1.731 1.108 4.250 1.00 0.00 C ATOM 348 O ILE A 674 2.946 0.980 4.390 1.00 0.00 O ATOM 349 CB ILE A 674 0.691 -1.223 4.214 1.00 0.00 C ATOM 350 CG1 ILE A 674 1.254 -1.163 2.796 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.730 -1.756 4.183 1.00 0.00 C ATOM 352 CD1 ILE A 674 2.703 -1.559 2.744 1.00 0.00 C ATOM 0 H ILE A 674 -1.295 0.274 4.543 1.00 0.00 H new ATOM 0 HA ILE A 674 1.111 -0.046 5.943 1.00 0.00 H new ATOM 0 HB ILE A 674 1.316 -1.904 4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 674 0.675 -1.822 2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 674 1.141 -0.152 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -0.746 -2.720 3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -1.096 -1.877 5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -1.370 -1.054 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 674 3.059 -1.501 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 674 3.287 -0.884 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 674 2.815 -2.580 3.110 1.00 0.00 H new ATOM 364 N GLU A 675 1.184 2.089 3.531 1.00 0.00 N ATOM 365 CA GLU A 675 2.003 3.077 2.860 1.00 0.00 C ATOM 366 C GLU A 675 2.745 3.914 3.895 1.00 0.00 C ATOM 367 O GLU A 675 3.874 4.348 3.665 1.00 0.00 O ATOM 368 CB GLU A 675 1.139 3.986 1.979 1.00 0.00 C ATOM 369 CG GLU A 675 1.339 3.774 0.486 1.00 0.00 C ATOM 370 CD GLU A 675 2.800 3.783 0.081 1.00 0.00 C ATOM 371 OE1 GLU A 675 3.443 2.715 0.150 1.00 0.00 O ATOM 372 OE2 GLU A 675 3.303 4.860 -0.305 1.00 0.00 O ATOM 0 H GLU A 675 0.180 2.213 3.404 1.00 0.00 H new ATOM 0 HA GLU A 675 2.723 2.562 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 675 0.090 3.819 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 675 1.360 5.026 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 675 0.892 2.823 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 675 0.810 4.555 -0.061 1.00 0.00 H new ATOM 379 N LYS A 676 2.096 4.140 5.039 1.00 0.00 N ATOM 380 CA LYS A 676 2.697 4.928 6.110 1.00 0.00 C ATOM 381 C LYS A 676 3.883 4.205 6.730 1.00 0.00 C ATOM 382 O LYS A 676 4.723 4.828 7.377 1.00 0.00 O ATOM 383 CB LYS A 676 1.656 5.260 7.183 1.00 0.00 C ATOM 384 CG LYS A 676 1.339 6.744 7.283 1.00 0.00 C ATOM 385 CD LYS A 676 -0.026 7.066 6.696 1.00 0.00 C ATOM 386 CE LYS A 676 0.071 7.412 5.219 1.00 0.00 C ATOM 387 NZ LYS A 676 -0.872 8.500 4.840 1.00 0.00 N ATOM 0 H LYS A 676 1.160 3.790 5.244 1.00 0.00 H new ATOM 0 HA LYS A 676 3.060 5.858 5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 676 0.737 4.714 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 676 2.017 4.908 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 676 1.368 7.053 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 676 2.105 7.316 6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -0.691 6.212 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -0.469 7.901 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 676 1.091 7.717 4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -0.141 6.524 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -0.775 8.706 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -1.847 8.199 5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -0.654 9.356 5.389 1.00 0.00 H new ATOM 401 N THR A 677 3.979 2.900 6.502 1.00 0.00 N ATOM 402 CA THR A 677 5.108 2.146 7.023 1.00 0.00 C ATOM 403 C THR A 677 6.280 2.300 6.063 1.00 0.00 C ATOM 404 O THR A 677 7.415 1.942 6.378 1.00 0.00 O ATOM 405 CB THR A 677 4.753 0.666 7.219 1.00 0.00 C ATOM 406 OG1 THR A 677 3.502 0.363 6.631 1.00 0.00 O ATOM 407 CG2 THR A 677 4.681 0.265 8.676 1.00 0.00 C ATOM 0 H THR A 677 3.302 2.353 5.970 1.00 0.00 H new ATOM 0 HA THR A 677 5.379 2.539 8.003 1.00 0.00 H new ATOM 0 HB THR A 677 5.557 0.109 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 677 3.515 0.619 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 677 4.426 -0.792 8.750 1.00 0.00 H new ATOM 0 HG22 THR A 677 5.647 0.440 9.150 1.00 0.00 H new ATOM 0 HG23 THR A 677 3.918 0.858 9.179 1.00 0.00 H new ATOM 415 N LEU A 678 5.984 2.853 4.885 1.00 0.00 N ATOM 416 CA LEU A 678 6.986 3.082 3.863 1.00 0.00 C ATOM 417 C LEU A 678 7.995 4.114 4.335 1.00 0.00 C ATOM 418 O LEU A 678 9.163 4.064 3.954 1.00 0.00 O ATOM 419 CB LEU A 678 6.325 3.555 2.570 1.00 0.00 C ATOM 420 CG LEU A 678 7.259 3.667 1.368 1.00 0.00 C ATOM 421 CD1 LEU A 678 8.038 2.376 1.179 1.00 0.00 C ATOM 422 CD2 LEU A 678 6.469 4.007 0.115 1.00 0.00 C ATOM 0 H LEU A 678 5.045 3.151 4.621 1.00 0.00 H new ATOM 0 HA LEU A 678 7.505 2.143 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 678 5.518 2.867 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 678 5.870 4.529 2.748 1.00 0.00 H new ATOM 0 HG LEU A 678 7.971 4.471 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 678 8.699 2.473 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 678 8.631 2.175 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 678 7.343 1.553 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 678 7.148 4.084 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 678 5.736 3.224 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 678 5.955 4.958 0.256 1.00 0.00 H new ATOM 434 N LYS A 679 7.536 5.049 5.169 1.00 0.00 N ATOM 435 CA LYS A 679 8.411 6.092 5.697 1.00 0.00 C ATOM 436 C LYS A 679 9.636 5.474 6.372 1.00 0.00 C ATOM 437 O LYS A 679 9.682 5.340 7.595 1.00 0.00 O ATOM 438 CB LYS A 679 7.651 6.970 6.691 1.00 0.00 C ATOM 439 CG LYS A 679 8.105 8.421 6.693 1.00 0.00 C ATOM 440 CD LYS A 679 7.093 9.321 7.386 1.00 0.00 C ATOM 441 CE LYS A 679 6.341 10.187 6.387 1.00 0.00 C ATOM 442 NZ LYS A 679 5.269 9.426 5.688 1.00 0.00 N ATOM 0 H LYS A 679 6.570 5.104 5.490 1.00 0.00 H new ATOM 0 HA LYS A 679 8.747 6.712 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 679 6.587 6.931 6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 679 7.773 6.559 7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 679 9.069 8.501 7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 679 8.251 8.759 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 679 6.384 8.710 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 679 7.605 9.957 8.108 1.00 0.00 H new ATOM 0 HE2 LYS A 679 5.902 11.040 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 679 7.041 10.585 5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 4.781 10.052 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 5.690 8.627 5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 4.586 9.067 6.386 1.00 0.00 H new ATOM 456 N ASN A 680 10.617 5.087 5.561 1.00 0.00 N ATOM 457 CA ASN A 680 11.836 4.468 6.067 1.00 0.00 C ATOM 458 C ASN A 680 12.955 5.498 6.220 1.00 0.00 C ATOM 459 O ASN A 680 14.135 5.148 6.220 1.00 0.00 O ATOM 460 CB ASN A 680 12.279 3.340 5.125 1.00 0.00 C ATOM 461 CG ASN A 680 12.788 3.862 3.794 1.00 0.00 C ATOM 462 OD1 ASN A 680 13.968 4.176 3.647 1.00 0.00 O ATOM 463 ND2 ASN A 680 11.894 3.959 2.817 1.00 0.00 N ATOM 0 H ASN A 680 10.590 5.192 4.547 1.00 0.00 H new ATOM 0 HA ASN A 680 11.625 4.052 7.052 1.00 0.00 H new ATOM 0 HB2 ASN A 680 13.063 2.756 5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 680 11.440 2.666 4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 680 12.176 4.305 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 680 10.925 3.687 2.983 1.00 0.00 H new ATOM 470 N LYS A 681 12.578 6.767 6.349 1.00 0.00 N ATOM 471 CA LYS A 681 13.556 7.840 6.501 1.00 0.00 C ATOM 472 C LYS A 681 13.148 8.808 7.609 1.00 0.00 C ATOM 473 O LYS A 681 13.992 9.290 8.364 1.00 0.00 O ATOM 474 CB LYS A 681 13.726 8.598 5.181 1.00 0.00 C ATOM 475 CG LYS A 681 12.412 9.008 4.536 1.00 0.00 C ATOM 476 CD LYS A 681 11.796 7.866 3.745 1.00 0.00 C ATOM 477 CE LYS A 681 11.971 8.065 2.248 1.00 0.00 C ATOM 478 NZ LYS A 681 12.251 6.782 1.545 1.00 0.00 N ATOM 0 H LYS A 681 11.606 7.077 6.351 1.00 0.00 H new ATOM 0 HA LYS A 681 14.508 7.386 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 681 14.326 9.490 5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 681 14.283 7.973 4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 681 11.714 9.335 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 681 12.580 9.859 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 681 12.257 6.925 4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 681 10.735 7.790 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 681 11.069 8.516 1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 681 12.788 8.763 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 12.447 6.972 0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 13.077 6.322 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 11.425 6.156 1.624 1.00 0.00 H new ATOM 492 N GLN A 682 11.851 9.090 7.702 1.00 0.00 N ATOM 493 CA GLN A 682 11.340 10.001 8.720 1.00 0.00 C ATOM 494 C GLN A 682 10.339 9.296 9.628 1.00 0.00 C ATOM 495 O GLN A 682 9.861 8.205 9.313 1.00 0.00 O ATOM 496 CB GLN A 682 10.684 11.217 8.060 1.00 0.00 C ATOM 497 CG GLN A 682 11.093 12.542 8.684 1.00 0.00 C ATOM 498 CD GLN A 682 11.559 13.553 7.656 1.00 0.00 C ATOM 499 OE1 GLN A 682 11.273 13.423 6.465 1.00 0.00 O ATOM 500 NE2 GLN A 682 12.282 14.570 8.111 1.00 0.00 N ATOM 0 H GLN A 682 11.137 8.701 7.086 1.00 0.00 H new ATOM 0 HA GLN A 682 12.180 10.336 9.329 1.00 0.00 H new ATOM 0 HB2 GLN A 682 10.942 11.229 7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 682 9.601 11.114 8.123 1.00 0.00 H new ATOM 0 HG2 GLN A 682 10.249 12.955 9.237 1.00 0.00 H new ATOM 0 HG3 GLN A 682 11.892 12.368 9.405 1.00 0.00 H new ATOM 0 HE21 GLN A 682 12.496 14.639 9.106 1.00 0.00 H new ATOM 0 HE22 GLN A 682 12.623 15.282 7.465 1.00 0.00 H new ATOM 509 N ASN A 683 10.024 9.925 10.756 1.00 0.00 N ATOM 510 CA ASN A 683 9.079 9.357 11.710 1.00 0.00 C ATOM 511 C ASN A 683 7.771 10.142 11.713 1.00 0.00 C ATOM 512 O ASN A 683 7.830 11.389 11.728 1.00 0.00 O ATOM 513 CB ASN A 683 9.686 9.347 13.116 1.00 0.00 C ATOM 514 CG ASN A 683 9.400 8.057 13.859 1.00 0.00 C ATOM 515 OD1 ASN A 683 10.317 7.371 14.310 1.00 0.00 O ATOM 516 ND2 ASN A 683 8.122 7.720 13.990 1.00 0.00 N ATOM 517 OXT ASN A 683 6.699 9.502 11.699 1.00 0.00 O ATOM 0 H ASN A 683 10.410 10.828 11.031 1.00 0.00 H new ATOM 0 HA ASN A 683 8.865 8.332 11.407 1.00 0.00 H new ATOM 0 HB2 ASN A 683 10.764 9.491 13.045 1.00 0.00 H new ATOM 0 HB3 ASN A 683 9.290 10.187 13.686 1.00 0.00 H new ATOM 0 HD21 ASN A 683 7.868 6.862 14.481 1.00 0.00 H new ATOM 0 HD22 ASN A 683 7.394 8.319 13.600 1.00 0.00 H new TER 524 ASN A 683