USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=9 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 681 LYS NZ :NH3+ 173:sc= 1.13 (180deg=1.03) USER MOD Set 1.2: A 683 ASN : amide:sc= 0.00537 X(o=1.1,f=0.73) USER MOD Set 2.1: A 655 SER OG : rot -122:sc= -1.04! USER MOD Set 2.2: A 677 THR OG1 : rot 138:sc= 0.816 USER MOD Set 3.1: A 654 TYR OH : rot 180:sc= -0.11 USER MOD Set 3.2: A 680 ASN : amide:sc= 0.779 K(o=0.67,f=-2.7!) USER MOD Single : A 657 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 661 TYR OH : rot 180:sc= 0 USER MOD Single : A 662 TYR OH : rot 30:sc= -2.51 USER MOD Single : A 664 SER OG : rot -83:sc= -0.353 USER MOD Single : A 667 LYS NZ :NH3+ -173:sc= -0.82 (180deg=-0.984) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 679 LYS NZ :NH3+ -143:sc= -1.16 (180deg=-3.55!) USER MOD Single : A 682 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 18.222 2.360 5.220 1.00 0.00 N ATOM 2 CA GLY A 651 17.870 1.396 4.141 1.00 0.00 C ATOM 3 C GLY A 651 16.907 0.324 4.612 1.00 0.00 C ATOM 4 O GLY A 651 17.224 -0.452 5.514 1.00 0.00 O ATOM 0 HA2 GLY A 651 17.426 1.937 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 651 18.779 0.925 3.768 1.00 0.00 H new ATOM 9 N ALA A 652 15.727 0.281 4.002 1.00 0.00 N ATOM 10 CA ALA A 652 14.716 -0.704 4.364 1.00 0.00 C ATOM 11 C ALA A 652 13.788 -0.997 3.191 1.00 0.00 C ATOM 12 O ALA A 652 13.949 -1.997 2.492 1.00 0.00 O ATOM 13 CB ALA A 652 13.919 -0.224 5.569 1.00 0.00 C ATOM 0 H ALA A 652 15.448 0.917 3.255 1.00 0.00 H new ATOM 0 HA ALA A 652 15.225 -1.631 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 652 13.167 -0.969 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 652 14.591 -0.077 6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 652 13.427 0.718 5.328 1.00 0.00 H new ATOM 19 N ASP A 653 12.816 -0.117 2.979 1.00 0.00 N ATOM 20 CA ASP A 653 11.859 -0.279 1.889 1.00 0.00 C ATOM 21 C ASP A 653 11.136 -1.617 1.994 1.00 0.00 C ATOM 22 O ASP A 653 11.636 -2.640 1.526 1.00 0.00 O ATOM 23 CB ASP A 653 12.571 -0.176 0.539 1.00 0.00 C ATOM 24 CG ASP A 653 13.222 1.177 0.329 1.00 0.00 C ATOM 25 OD1 ASP A 653 12.569 2.202 0.618 1.00 0.00 O ATOM 26 OD2 ASP A 653 14.384 1.211 -0.125 1.00 0.00 O ATOM 0 H ASP A 653 12.669 0.717 3.548 1.00 0.00 H new ATOM 0 HA ASP A 653 11.121 0.519 1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 653 13.330 -0.955 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 653 11.854 -0.359 -0.261 1.00 0.00 H new ATOM 31 N TYR A 654 9.959 -1.605 2.611 1.00 0.00 N ATOM 32 CA TYR A 654 9.172 -2.823 2.776 1.00 0.00 C ATOM 33 C TYR A 654 7.706 -2.564 2.507 1.00 0.00 C ATOM 34 O TYR A 654 7.057 -3.316 1.781 1.00 0.00 O ATOM 35 CB TYR A 654 9.346 -3.384 4.184 1.00 0.00 C ATOM 36 CG TYR A 654 9.318 -2.319 5.256 1.00 0.00 C ATOM 37 CD1 TYR A 654 10.400 -1.471 5.432 1.00 0.00 C ATOM 38 CD2 TYR A 654 8.217 -2.163 6.088 1.00 0.00 C ATOM 39 CE1 TYR A 654 10.391 -0.496 6.410 1.00 0.00 C ATOM 40 CE2 TYR A 654 8.197 -1.188 7.067 1.00 0.00 C ATOM 41 CZ TYR A 654 9.287 -0.359 7.226 1.00 0.00 C ATOM 42 OH TYR A 654 9.271 0.611 8.202 1.00 0.00 O ATOM 0 H TYR A 654 9.529 -0.768 3.004 1.00 0.00 H new ATOM 0 HA TYR A 654 9.534 -3.554 2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 654 8.556 -4.109 4.380 1.00 0.00 H new ATOM 0 HB3 TYR A 654 10.292 -3.922 4.240 1.00 0.00 H new ATOM 0 HD1 TYR A 654 11.265 -1.574 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 654 7.363 -2.814 5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 654 11.243 0.155 6.535 1.00 0.00 H new ATOM 0 HE2 TYR A 654 7.332 -1.076 7.704 1.00 0.00 H new ATOM 0 HH TYR A 654 8.420 0.573 8.687 1.00 0.00 H new ATOM 52 N SER A 655 7.186 -1.489 3.077 1.00 0.00 N ATOM 53 CA SER A 655 5.793 -1.139 2.869 1.00 0.00 C ATOM 54 C SER A 655 5.620 -0.454 1.524 1.00 0.00 C ATOM 55 O SER A 655 4.688 0.323 1.325 1.00 0.00 O ATOM 56 CB SER A 655 5.278 -0.246 3.990 1.00 0.00 C ATOM 57 OG SER A 655 4.089 -0.778 4.544 1.00 0.00 O ATOM 0 H SER A 655 7.703 -0.850 3.681 1.00 0.00 H new ATOM 0 HA SER A 655 5.207 -2.058 2.876 1.00 0.00 H new ATOM 0 HB2 SER A 655 6.038 -0.153 4.766 1.00 0.00 H new ATOM 0 HB3 SER A 655 5.090 0.757 3.606 1.00 0.00 H new ATOM 0 HG SER A 655 3.370 -0.115 4.474 1.00 0.00 H new ATOM 63 N ALA A 656 6.520 -0.770 0.601 1.00 0.00 N ATOM 64 CA ALA A 656 6.478 -0.226 -0.736 1.00 0.00 C ATOM 65 C ALA A 656 6.151 -1.331 -1.706 1.00 0.00 C ATOM 66 O ALA A 656 5.289 -1.183 -2.573 1.00 0.00 O ATOM 67 CB ALA A 656 7.805 0.405 -1.114 1.00 0.00 C ATOM 0 H ALA A 656 7.296 -1.411 0.766 1.00 0.00 H new ATOM 0 HA ALA A 656 5.712 0.549 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 656 7.742 0.806 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 656 8.036 1.212 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 656 8.592 -0.348 -1.070 1.00 0.00 H new ATOM 73 N GLN A 657 6.833 -2.458 -1.542 1.00 0.00 N ATOM 74 CA GLN A 657 6.584 -3.594 -2.403 1.00 0.00 C ATOM 75 C GLN A 657 5.186 -4.115 -2.122 1.00 0.00 C ATOM 76 O GLN A 657 4.451 -4.493 -3.032 1.00 0.00 O ATOM 77 CB GLN A 657 7.632 -4.693 -2.180 1.00 0.00 C ATOM 78 CG GLN A 657 7.090 -6.111 -2.332 1.00 0.00 C ATOM 79 CD GLN A 657 8.149 -7.169 -2.085 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.341 -6.925 -2.267 1.00 0.00 O ATOM 81 NE2 GLN A 657 7.716 -8.353 -1.668 1.00 0.00 N ATOM 0 H GLN A 657 7.550 -2.604 -0.831 1.00 0.00 H new ATOM 0 HA GLN A 657 6.658 -3.285 -3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 657 8.449 -4.550 -2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 657 8.053 -4.582 -1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 657 6.265 -6.258 -1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 657 6.684 -6.235 -3.336 1.00 0.00 H new ATOM 0 HE21 GLN A 657 6.718 -8.511 -1.530 1.00 0.00 H new ATOM 0 HE22 GLN A 657 8.382 -9.104 -1.485 1.00 0.00 H new ATOM 90 N TRP A 658 4.828 -4.100 -0.846 1.00 0.00 N ATOM 91 CA TRP A 658 3.516 -4.534 -0.409 1.00 0.00 C ATOM 92 C TRP A 658 2.532 -3.368 -0.478 1.00 0.00 C ATOM 93 O TRP A 658 1.375 -3.490 -0.077 1.00 0.00 O ATOM 94 CB TRP A 658 3.600 -5.096 1.017 1.00 0.00 C ATOM 95 CG TRP A 658 2.909 -6.413 1.189 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.280 -7.438 2.011 1.00 0.00 C ATOM 97 CD2 TRP A 658 1.722 -6.841 0.524 1.00 0.00 C ATOM 98 NE1 TRP A 658 2.390 -8.479 1.894 1.00 0.00 N ATOM 99 CE2 TRP A 658 1.424 -8.136 0.985 1.00 0.00 C ATOM 100 CE3 TRP A 658 0.887 -6.249 -0.418 1.00 0.00 C ATOM 101 CZ2 TRP A 658 0.316 -8.848 0.533 1.00 0.00 C ATOM 102 CZ3 TRP A 658 -0.214 -6.955 -0.868 1.00 0.00 C ATOM 103 CH2 TRP A 658 -0.491 -8.243 -0.393 1.00 0.00 C ATOM 0 H TRP A 658 5.438 -3.788 -0.091 1.00 0.00 H new ATOM 0 HA TRP A 658 3.158 -5.324 -1.069 1.00 0.00 H new ATOM 0 HB2 TRP A 658 4.649 -5.208 1.292 1.00 0.00 H new ATOM 0 HB3 TRP A 658 3.164 -4.375 1.708 1.00 0.00 H new ATOM 0 HD1 TRP A 658 4.145 -7.432 2.658 1.00 0.00 H new ATOM 0 HE1 TRP A 658 2.441 -9.363 2.401 1.00 0.00 H new ATOM 0 HE3 TRP A 658 1.094 -5.257 -0.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 0.101 -9.841 0.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 -0.871 -6.505 -1.598 1.00 0.00 H new ATOM 0 HH2 TRP A 658 -1.358 -8.769 -0.764 1.00 0.00 H new ATOM 114 N ALA A 659 2.994 -2.241 -1.011 1.00 0.00 N ATOM 115 CA ALA A 659 2.151 -1.072 -1.160 1.00 0.00 C ATOM 116 C ALA A 659 1.735 -0.915 -2.616 1.00 0.00 C ATOM 117 O ALA A 659 0.756 -0.245 -2.920 1.00 0.00 O ATOM 118 CB ALA A 659 2.852 0.181 -0.647 1.00 0.00 C ATOM 0 H ALA A 659 3.950 -2.118 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 659 1.254 -1.210 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 659 2.195 1.042 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 659 3.092 0.057 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 659 3.771 0.341 -1.211 1.00 0.00 H new ATOM 124 N GLU A 660 2.467 -1.554 -3.522 1.00 0.00 N ATOM 125 CA GLU A 660 2.125 -1.479 -4.932 1.00 0.00 C ATOM 126 C GLU A 660 0.945 -2.392 -5.241 1.00 0.00 C ATOM 127 O GLU A 660 0.238 -2.189 -6.229 1.00 0.00 O ATOM 128 CB GLU A 660 3.328 -1.848 -5.801 1.00 0.00 C ATOM 129 CG GLU A 660 4.438 -0.810 -5.774 1.00 0.00 C ATOM 130 CD GLU A 660 5.211 -0.747 -7.078 1.00 0.00 C ATOM 131 OE1 GLU A 660 4.582 -0.509 -8.129 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.445 -0.935 -7.045 1.00 0.00 O ATOM 0 H GLU A 660 3.288 -2.120 -3.308 1.00 0.00 H new ATOM 0 HA GLU A 660 1.840 -0.452 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.728 -2.805 -5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 660 2.995 -1.985 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 660 4.009 0.170 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 660 5.125 -1.040 -4.960 1.00 0.00 H new ATOM 139 N TYR A 661 0.721 -3.392 -4.391 1.00 0.00 N ATOM 140 CA TYR A 661 -0.392 -4.308 -4.594 1.00 0.00 C ATOM 141 C TYR A 661 -1.690 -3.727 -4.052 1.00 0.00 C ATOM 142 O TYR A 661 -2.770 -4.229 -4.360 1.00 0.00 O ATOM 143 CB TYR A 661 -0.107 -5.657 -3.933 1.00 0.00 C ATOM 144 CG TYR A 661 1.060 -6.396 -4.541 1.00 0.00 C ATOM 145 CD1 TYR A 661 2.363 -6.046 -4.221 1.00 0.00 C ATOM 146 CD2 TYR A 661 0.861 -7.442 -5.432 1.00 0.00 C ATOM 147 CE1 TYR A 661 3.438 -6.717 -4.770 1.00 0.00 C ATOM 148 CE2 TYR A 661 1.929 -8.119 -5.987 1.00 0.00 C ATOM 149 CZ TYR A 661 3.216 -7.753 -5.653 1.00 0.00 C ATOM 150 OH TYR A 661 4.284 -8.424 -6.202 1.00 0.00 O ATOM 0 H TYR A 661 1.289 -3.585 -3.566 1.00 0.00 H new ATOM 0 HA TYR A 661 -0.506 -4.457 -5.668 1.00 0.00 H new ATOM 0 HB2 TYR A 661 0.088 -5.498 -2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 661 -0.998 -6.281 -4.003 1.00 0.00 H new ATOM 0 HD1 TYR A 661 2.540 -5.235 -3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 661 -0.146 -7.731 -5.695 1.00 0.00 H new ATOM 0 HE1 TYR A 661 4.447 -6.432 -4.509 1.00 0.00 H new ATOM 0 HE2 TYR A 661 1.757 -8.930 -6.679 1.00 0.00 H new ATOM 0 HH TYR A 661 3.956 -9.126 -6.802 1.00 0.00 H new ATOM 160 N TYR A 662 -1.597 -2.666 -3.254 1.00 0.00 N ATOM 161 CA TYR A 662 -2.796 -2.055 -2.711 1.00 0.00 C ATOM 162 C TYR A 662 -3.502 -1.232 -3.780 1.00 0.00 C ATOM 163 O TYR A 662 -4.727 -1.192 -3.841 1.00 0.00 O ATOM 164 CB TYR A 662 -2.503 -1.221 -1.449 1.00 0.00 C ATOM 165 CG TYR A 662 -1.576 -0.036 -1.623 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.667 0.810 -2.714 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.633 0.249 -0.660 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.831 1.903 -2.851 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.208 1.337 -0.777 1.00 0.00 C ATOM 170 CZ TYR A 662 0.109 2.161 -1.878 1.00 0.00 C ATOM 171 OH TYR A 662 0.944 3.246 -2.002 1.00 0.00 O ATOM 0 H TYR A 662 -0.721 -2.223 -2.976 1.00 0.00 H new ATOM 0 HA TYR A 662 -3.466 -2.856 -2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -3.451 -0.857 -1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.075 -1.882 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -2.407 0.612 -3.475 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.550 -0.393 0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.914 2.548 -3.713 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.940 1.542 -0.010 1.00 0.00 H new ATOM 0 HH TYR A 662 0.487 3.956 -2.500 1.00 0.00 H new ATOM 181 N ARG A 663 -2.716 -0.573 -4.622 1.00 0.00 N ATOM 182 CA ARG A 663 -3.267 0.253 -5.688 1.00 0.00 C ATOM 183 C ARG A 663 -3.644 -0.582 -6.908 1.00 0.00 C ATOM 184 O ARG A 663 -3.936 -0.033 -7.971 1.00 0.00 O ATOM 185 CB ARG A 663 -2.264 1.337 -6.091 1.00 0.00 C ATOM 186 CG ARG A 663 -0.949 0.788 -6.620 1.00 0.00 C ATOM 187 CD ARG A 663 0.219 1.696 -6.263 1.00 0.00 C ATOM 188 NE ARG A 663 1.013 2.060 -7.435 1.00 0.00 N ATOM 189 CZ ARG A 663 1.716 1.189 -8.154 1.00 0.00 C ATOM 190 NH1 ARG A 663 1.722 -0.099 -7.831 1.00 0.00 N ATOM 191 NH2 ARG A 663 2.416 1.606 -9.200 1.00 0.00 N ATOM 0 H ARG A 663 -1.697 -0.594 -4.587 1.00 0.00 H new ATOM 0 HA ARG A 663 -4.174 0.722 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -2.715 1.972 -6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -2.062 1.971 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -0.777 -0.207 -6.208 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -1.009 0.679 -7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -0.159 2.601 -5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 663 0.857 1.195 -5.535 1.00 0.00 H new ATOM 0 HE ARG A 663 1.029 3.040 -7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 663 1.185 -0.426 -7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 663 2.263 -0.762 -8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 663 2.415 2.594 -9.453 1.00 0.00 H new ATOM 0 HH22 ARG A 663 2.955 0.939 -9.752 1.00 0.00 H new ATOM 205 N SER A 664 -3.638 -1.908 -6.766 1.00 0.00 N ATOM 206 CA SER A 664 -3.980 -2.779 -7.882 1.00 0.00 C ATOM 207 C SER A 664 -5.108 -3.744 -7.530 1.00 0.00 C ATOM 208 O SER A 664 -5.917 -4.099 -8.387 1.00 0.00 O ATOM 209 CB SER A 664 -2.750 -3.556 -8.350 1.00 0.00 C ATOM 210 OG SER A 664 -1.805 -3.695 -7.304 1.00 0.00 O ATOM 0 H SER A 664 -3.403 -2.394 -5.900 1.00 0.00 H new ATOM 0 HA SER A 664 -4.333 -2.142 -8.693 1.00 0.00 H new ATOM 0 HB2 SER A 664 -3.052 -4.542 -8.704 1.00 0.00 H new ATOM 0 HB3 SER A 664 -2.290 -3.041 -9.193 1.00 0.00 H new ATOM 0 HG SER A 664 -1.252 -2.887 -7.253 1.00 0.00 H new ATOM 216 N VAL A 665 -5.166 -4.163 -6.274 1.00 0.00 N ATOM 217 CA VAL A 665 -6.206 -5.079 -5.832 1.00 0.00 C ATOM 218 C VAL A 665 -7.338 -4.313 -5.159 1.00 0.00 C ATOM 219 O VAL A 665 -7.932 -4.783 -4.188 1.00 0.00 O ATOM 220 CB VAL A 665 -5.652 -6.136 -4.857 1.00 0.00 C ATOM 221 CG1 VAL A 665 -4.585 -6.981 -5.539 1.00 0.00 C ATOM 222 CG2 VAL A 665 -5.096 -5.475 -3.604 1.00 0.00 C ATOM 0 H VAL A 665 -4.508 -3.884 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 665 -6.586 -5.591 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 665 -6.471 -6.791 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -4.204 -7.722 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -5.018 -7.487 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -3.768 -6.339 -5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 665 -4.710 -6.240 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -4.291 -4.794 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -5.888 -4.917 -3.105 1.00 0.00 H new ATOM 232 N GLY A 666 -7.622 -3.123 -5.680 1.00 0.00 N ATOM 233 CA GLY A 666 -8.671 -2.298 -5.114 1.00 0.00 C ATOM 234 C GLY A 666 -8.390 -1.956 -3.672 1.00 0.00 C ATOM 235 O GLY A 666 -9.311 -1.801 -2.869 1.00 0.00 O ATOM 0 H GLY A 666 -7.144 -2.716 -6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -8.766 -1.380 -5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -9.625 -2.821 -5.186 1.00 0.00 H new ATOM 239 N LYS A 667 -7.110 -1.843 -3.340 1.00 0.00 N ATOM 240 CA LYS A 667 -6.709 -1.521 -1.978 1.00 0.00 C ATOM 241 C LYS A 667 -6.198 -0.095 -1.871 1.00 0.00 C ATOM 242 O LYS A 667 -5.519 0.261 -0.912 1.00 0.00 O ATOM 243 CB LYS A 667 -5.636 -2.490 -1.488 1.00 0.00 C ATOM 244 CG LYS A 667 -6.031 -3.259 -0.237 1.00 0.00 C ATOM 245 CD LYS A 667 -6.105 -4.755 -0.496 1.00 0.00 C ATOM 246 CE LYS A 667 -6.284 -5.536 0.795 1.00 0.00 C ATOM 247 NZ LYS A 667 -7.452 -5.051 1.581 1.00 0.00 N ATOM 0 H LYS A 667 -6.336 -1.969 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 667 -7.593 -1.617 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.410 -3.200 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.721 -1.933 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.308 -3.062 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -6.998 -2.903 0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -6.935 -4.968 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -5.195 -5.084 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -6.416 -6.593 0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -5.380 -5.452 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -7.470 -5.527 2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -7.373 -4.024 1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -8.330 -5.263 1.065 1.00 0.00 H new ATOM 261 N ILE A 668 -6.524 0.714 -2.860 1.00 0.00 N ATOM 262 CA ILE A 668 -6.093 2.107 -2.877 1.00 0.00 C ATOM 263 C ILE A 668 -6.414 2.805 -1.559 1.00 0.00 C ATOM 264 O ILE A 668 -5.705 3.722 -1.147 1.00 0.00 O ATOM 265 CB ILE A 668 -6.736 2.892 -4.038 1.00 0.00 C ATOM 266 CG1 ILE A 668 -6.661 2.084 -5.338 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.054 4.242 -4.205 1.00 0.00 C ATOM 268 CD1 ILE A 668 -8.017 1.686 -5.879 1.00 0.00 C ATOM 0 H ILE A 668 -7.086 0.435 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 668 -5.013 2.094 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 668 -7.786 3.063 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -6.136 2.671 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -6.069 1.185 -5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.518 4.785 -5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -6.158 4.818 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -4.996 4.091 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -7.889 1.117 -6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -8.537 1.073 -5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -8.604 2.581 -6.085 1.00 0.00 H new ATOM 280 N GLU A 669 -7.474 2.361 -0.893 1.00 0.00 N ATOM 281 CA GLU A 669 -7.854 2.949 0.388 1.00 0.00 C ATOM 282 C GLU A 669 -7.044 2.322 1.506 1.00 0.00 C ATOM 283 O GLU A 669 -6.405 3.026 2.289 1.00 0.00 O ATOM 284 CB GLU A 669 -9.355 2.783 0.648 1.00 0.00 C ATOM 285 CG GLU A 669 -9.809 1.334 0.724 1.00 0.00 C ATOM 286 CD GLU A 669 -11.299 1.177 0.491 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.791 1.662 -0.550 1.00 0.00 O ATOM 288 OE2 GLU A 669 -11.973 0.571 1.349 1.00 0.00 O ATOM 0 H GLU A 669 -8.080 1.605 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 669 -7.640 4.017 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.610 3.283 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.909 3.286 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -9.265 0.747 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -9.553 0.928 1.703 1.00 0.00 H new ATOM 295 N GLU A 670 -7.029 0.996 1.556 1.00 0.00 N ATOM 296 CA GLU A 670 -6.242 0.300 2.557 1.00 0.00 C ATOM 297 C GLU A 670 -4.770 0.619 2.335 1.00 0.00 C ATOM 298 O GLU A 670 -3.941 0.453 3.230 1.00 0.00 O ATOM 299 CB GLU A 670 -6.479 -1.209 2.480 1.00 0.00 C ATOM 300 CG GLU A 670 -5.979 -1.969 3.697 1.00 0.00 C ATOM 301 CD GLU A 670 -6.831 -3.182 4.018 1.00 0.00 C ATOM 302 OE1 GLU A 670 -8.063 -3.111 3.820 1.00 0.00 O ATOM 303 OE2 GLU A 670 -6.268 -4.203 4.466 1.00 0.00 O ATOM 0 H GLU A 670 -7.548 0.389 0.921 1.00 0.00 H new ATOM 0 HA GLU A 670 -6.544 0.633 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.546 -1.394 2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.986 -1.600 1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -4.951 -2.287 3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -5.966 -1.301 4.558 1.00 0.00 H new ATOM 310 N ALA A 671 -4.460 1.101 1.129 1.00 0.00 N ATOM 311 CA ALA A 671 -3.107 1.472 0.777 1.00 0.00 C ATOM 312 C ALA A 671 -2.553 2.483 1.764 1.00 0.00 C ATOM 313 O ALA A 671 -1.411 2.372 2.196 1.00 0.00 O ATOM 314 CB ALA A 671 -3.073 2.045 -0.626 1.00 0.00 C ATOM 0 H ALA A 671 -5.140 1.240 0.382 1.00 0.00 H new ATOM 0 HA ALA A 671 -2.485 0.578 0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.050 2.321 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.435 1.298 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -3.710 2.928 -0.674 1.00 0.00 H new ATOM 320 N GLU A 672 -3.369 3.473 2.118 1.00 0.00 N ATOM 321 CA GLU A 672 -2.937 4.505 3.057 1.00 0.00 C ATOM 322 C GLU A 672 -2.266 3.897 4.286 1.00 0.00 C ATOM 323 O GLU A 672 -1.359 4.494 4.866 1.00 0.00 O ATOM 324 CB GLU A 672 -4.122 5.374 3.480 1.00 0.00 C ATOM 325 CG GLU A 672 -4.591 6.329 2.395 1.00 0.00 C ATOM 326 CD GLU A 672 -3.750 7.588 2.326 1.00 0.00 C ATOM 327 OE1 GLU A 672 -3.061 7.898 3.320 1.00 0.00 O ATOM 328 OE2 GLU A 672 -3.779 8.265 1.277 1.00 0.00 O ATOM 0 H GLU A 672 -4.323 3.582 1.773 1.00 0.00 H new ATOM 0 HA GLU A 672 -2.203 5.129 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.952 4.728 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -3.844 5.949 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -4.560 5.822 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -5.631 6.600 2.579 1.00 0.00 H new ATOM 335 N ALA A 673 -2.706 2.707 4.675 1.00 0.00 N ATOM 336 CA ALA A 673 -2.132 2.025 5.831 1.00 0.00 C ATOM 337 C ALA A 673 -0.785 1.416 5.494 1.00 0.00 C ATOM 338 O ALA A 673 0.206 1.623 6.193 1.00 0.00 O ATOM 339 CB ALA A 673 -3.061 0.924 6.307 1.00 0.00 C ATOM 0 H ALA A 673 -3.455 2.195 4.210 1.00 0.00 H new ATOM 0 HA ALA A 673 -2.000 2.767 6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -2.620 0.424 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -4.022 1.355 6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -3.209 0.201 5.505 1.00 0.00 H new ATOM 345 N ILE A 674 -0.775 0.648 4.420 1.00 0.00 N ATOM 346 CA ILE A 674 0.424 -0.027 3.970 1.00 0.00 C ATOM 347 C ILE A 674 1.405 0.971 3.355 1.00 0.00 C ATOM 348 O ILE A 674 2.598 0.693 3.240 1.00 0.00 O ATOM 349 CB ILE A 674 0.080 -1.187 2.983 1.00 0.00 C ATOM 350 CG1 ILE A 674 0.949 -1.158 1.735 1.00 0.00 C ATOM 351 CG2 ILE A 674 -1.385 -1.158 2.575 1.00 0.00 C ATOM 352 CD1 ILE A 674 2.341 -1.658 1.973 1.00 0.00 C ATOM 0 H ILE A 674 -1.595 0.476 3.839 1.00 0.00 H new ATOM 0 HA ILE A 674 0.910 -0.477 4.835 1.00 0.00 H new ATOM 0 HB ILE A 674 0.283 -2.112 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 674 0.480 -1.764 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 674 0.996 -0.137 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -1.588 -1.980 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -2.012 -1.263 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -1.607 -0.211 2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 674 2.908 -1.611 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 674 2.827 -1.038 2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 674 2.302 -2.690 2.323 1.00 0.00 H new ATOM 364 N GLU A 675 0.905 2.146 2.985 1.00 0.00 N ATOM 365 CA GLU A 675 1.753 3.177 2.411 1.00 0.00 C ATOM 366 C GLU A 675 2.393 4.011 3.515 1.00 0.00 C ATOM 367 O GLU A 675 3.421 4.655 3.301 1.00 0.00 O ATOM 368 CB GLU A 675 0.946 4.071 1.471 1.00 0.00 C ATOM 369 CG GLU A 675 1.726 4.528 0.252 1.00 0.00 C ATOM 370 CD GLU A 675 2.738 5.609 0.577 1.00 0.00 C ATOM 371 OE1 GLU A 675 2.347 6.794 0.619 1.00 0.00 O ATOM 372 OE2 GLU A 675 3.921 5.270 0.791 1.00 0.00 O ATOM 0 H GLU A 675 -0.078 2.404 3.073 1.00 0.00 H new ATOM 0 HA GLU A 675 2.543 2.694 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 675 0.058 3.531 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 675 0.602 4.947 2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 675 2.241 3.673 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 675 1.031 4.901 -0.500 1.00 0.00 H new ATOM 379 N LYS A 676 1.786 3.988 4.701 1.00 0.00 N ATOM 380 CA LYS A 676 2.312 4.738 5.835 1.00 0.00 C ATOM 381 C LYS A 676 3.473 3.997 6.483 1.00 0.00 C ATOM 382 O LYS A 676 4.254 4.590 7.227 1.00 0.00 O ATOM 383 CB LYS A 676 1.209 5.001 6.862 1.00 0.00 C ATOM 384 CG LYS A 676 1.624 5.957 7.970 1.00 0.00 C ATOM 385 CD LYS A 676 1.437 7.407 7.556 1.00 0.00 C ATOM 386 CE LYS A 676 2.312 8.338 8.378 1.00 0.00 C ATOM 387 NZ LYS A 676 1.582 8.894 9.551 1.00 0.00 N ATOM 0 H LYS A 676 0.935 3.461 4.899 1.00 0.00 H new ATOM 0 HA LYS A 676 2.680 5.695 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 676 0.337 5.408 6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 676 0.904 4.053 7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 676 1.036 5.755 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 676 2.669 5.784 8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 676 1.678 7.519 6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 676 0.391 7.689 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 676 3.194 7.798 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 676 2.664 9.155 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 2.213 9.524 10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 0.754 9.431 9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 1.268 8.116 10.165 1.00 0.00 H new ATOM 401 N THR A 677 3.616 2.710 6.175 1.00 0.00 N ATOM 402 CA THR A 677 4.725 1.941 6.717 1.00 0.00 C ATOM 403 C THR A 677 5.914 2.050 5.769 1.00 0.00 C ATOM 404 O THR A 677 7.002 1.545 6.044 1.00 0.00 O ATOM 405 CB THR A 677 4.329 0.477 6.940 1.00 0.00 C ATOM 406 OG1 THR A 677 3.032 0.224 6.430 1.00 0.00 O ATOM 407 CG2 THR A 677 4.329 0.077 8.399 1.00 0.00 C ATOM 0 H THR A 677 2.988 2.188 5.564 1.00 0.00 H new ATOM 0 HA THR A 677 5.001 2.348 7.690 1.00 0.00 H new ATOM 0 HB THR A 677 5.082 -0.110 6.414 1.00 0.00 H new ATOM 0 HG1 THR A 677 3.028 -0.635 5.959 1.00 0.00 H new ATOM 0 HG21 THR A 677 4.040 -0.970 8.489 1.00 0.00 H new ATOM 0 HG22 THR A 677 5.327 0.215 8.814 1.00 0.00 H new ATOM 0 HG23 THR A 677 3.619 0.697 8.946 1.00 0.00 H new ATOM 415 N LEU A 678 5.684 2.739 4.649 1.00 0.00 N ATOM 416 CA LEU A 678 6.705 2.959 3.641 1.00 0.00 C ATOM 417 C LEU A 678 7.626 4.100 4.055 1.00 0.00 C ATOM 418 O LEU A 678 8.771 4.174 3.609 1.00 0.00 O ATOM 419 CB LEU A 678 6.044 3.288 2.303 1.00 0.00 C ATOM 420 CG LEU A 678 6.724 2.698 1.072 1.00 0.00 C ATOM 421 CD1 LEU A 678 5.831 2.858 -0.146 1.00 0.00 C ATOM 422 CD2 LEU A 678 8.074 3.360 0.841 1.00 0.00 C ATOM 0 H LEU A 678 4.782 3.157 4.422 1.00 0.00 H new ATOM 0 HA LEU A 678 7.299 2.051 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 678 5.013 2.936 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 678 6.008 4.372 2.192 1.00 0.00 H new ATOM 0 HG LEU A 678 6.892 1.634 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 678 6.327 2.433 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 678 4.888 2.339 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 678 5.637 3.917 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 678 8.545 2.927 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 678 7.933 4.430 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 678 8.712 3.198 1.710 1.00 0.00 H new ATOM 434 N LYS A 679 7.112 4.993 4.909 1.00 0.00 N ATOM 435 CA LYS A 679 7.882 6.144 5.390 1.00 0.00 C ATOM 436 C LYS A 679 9.357 5.791 5.592 1.00 0.00 C ATOM 437 O LYS A 679 10.238 6.620 5.366 1.00 0.00 O ATOM 438 CB LYS A 679 7.291 6.663 6.701 1.00 0.00 C ATOM 439 CG LYS A 679 6.043 7.511 6.513 1.00 0.00 C ATOM 440 CD LYS A 679 6.380 8.992 6.433 1.00 0.00 C ATOM 441 CE LYS A 679 6.127 9.548 5.041 1.00 0.00 C ATOM 442 NZ LYS A 679 7.185 9.136 4.078 1.00 0.00 N ATOM 0 H LYS A 679 6.164 4.939 5.281 1.00 0.00 H new ATOM 0 HA LYS A 679 7.822 6.922 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 679 7.051 5.815 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 679 8.046 7.253 7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 679 5.528 7.205 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 679 5.356 7.338 7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 679 5.782 9.542 7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 679 7.426 9.143 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 679 5.157 9.204 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 679 6.082 10.636 5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 7.379 9.918 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 8.053 8.897 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 6.862 8.305 3.542 1.00 0.00 H new ATOM 456 N ASN A 680 9.617 4.554 6.011 1.00 0.00 N ATOM 457 CA ASN A 680 10.985 4.093 6.232 1.00 0.00 C ATOM 458 C ASN A 680 11.831 4.294 4.978 1.00 0.00 C ATOM 459 O ASN A 680 11.331 4.180 3.859 1.00 0.00 O ATOM 460 CB ASN A 680 10.989 2.616 6.634 1.00 0.00 C ATOM 461 CG ASN A 680 12.076 2.295 7.641 1.00 0.00 C ATOM 462 OD1 ASN A 680 13.191 2.811 7.554 1.00 0.00 O ATOM 463 ND2 ASN A 680 11.757 1.438 8.604 1.00 0.00 N ATOM 0 H ASN A 680 8.900 3.855 6.204 1.00 0.00 H new ATOM 0 HA ASN A 680 11.417 4.682 7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 680 10.018 2.354 7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 680 11.127 2.001 5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 680 12.448 1.183 9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 680 10.821 1.034 8.638 1.00 0.00 H new ATOM 470 N LYS A 681 13.113 4.599 5.176 1.00 0.00 N ATOM 471 CA LYS A 681 14.043 4.824 4.065 1.00 0.00 C ATOM 472 C LYS A 681 13.915 6.244 3.515 1.00 0.00 C ATOM 473 O LYS A 681 14.917 6.933 3.319 1.00 0.00 O ATOM 474 CB LYS A 681 13.814 3.806 2.942 1.00 0.00 C ATOM 475 CG LYS A 681 15.096 3.334 2.279 1.00 0.00 C ATOM 476 CD LYS A 681 15.696 4.414 1.391 1.00 0.00 C ATOM 477 CE LYS A 681 14.920 4.562 0.092 1.00 0.00 C ATOM 478 NZ LYS A 681 15.290 3.514 -0.899 1.00 0.00 N ATOM 0 H LYS A 681 13.535 4.697 6.100 1.00 0.00 H new ATOM 0 HA LYS A 681 15.053 4.694 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 681 13.285 2.943 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 681 13.166 4.251 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 681 15.818 3.048 3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 681 14.892 2.444 1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 681 15.699 5.365 1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 681 16.735 4.169 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 681 13.851 4.505 0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 681 15.110 5.547 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 14.658 3.576 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 16.273 3.658 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 15.198 2.575 -0.462 1.00 0.00 H new ATOM 492 N GLN A 682 12.681 6.678 3.265 1.00 0.00 N ATOM 493 CA GLN A 682 12.427 8.015 2.736 1.00 0.00 C ATOM 494 C GLN A 682 12.867 8.115 1.279 1.00 0.00 C ATOM 495 O GLN A 682 13.967 8.581 0.982 1.00 0.00 O ATOM 496 CB GLN A 682 13.144 9.077 3.578 1.00 0.00 C ATOM 497 CG GLN A 682 12.195 9.995 4.332 1.00 0.00 C ATOM 498 CD GLN A 682 12.103 11.377 3.712 1.00 0.00 C ATOM 499 OE1 GLN A 682 13.057 12.153 3.753 1.00 0.00 O ATOM 500 NE2 GLN A 682 10.949 11.689 3.134 1.00 0.00 N ATOM 0 H GLN A 682 11.841 6.121 3.421 1.00 0.00 H new ATOM 0 HA GLN A 682 11.353 8.197 2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 682 13.801 8.580 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 682 13.778 9.679 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 682 11.203 9.545 4.356 1.00 0.00 H new ATOM 0 HG3 GLN A 682 12.529 10.086 5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 682 10.185 11.014 3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 682 10.827 12.604 2.700 1.00 0.00 H new ATOM 509 N ASN A 683 11.999 7.674 0.374 1.00 0.00 N ATOM 510 CA ASN A 683 12.295 7.713 -1.053 1.00 0.00 C ATOM 511 C ASN A 683 11.878 9.050 -1.660 1.00 0.00 C ATOM 512 O ASN A 683 10.742 9.492 -1.388 1.00 0.00 O ATOM 513 CB ASN A 683 11.581 6.568 -1.773 1.00 0.00 C ATOM 514 CG ASN A 683 12.431 5.951 -2.866 1.00 0.00 C ATOM 515 OD1 ASN A 683 12.937 4.838 -2.723 1.00 0.00 O ATOM 516 ND2 ASN A 683 12.594 6.675 -3.968 1.00 0.00 N ATOM 517 OXT ASN A 683 12.691 9.643 -2.399 1.00 0.00 O ATOM 0 H ASN A 683 11.084 7.285 0.604 1.00 0.00 H new ATOM 0 HA ASN A 683 13.372 7.598 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 683 11.312 5.799 -1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 683 10.651 6.938 -2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 683 13.157 6.313 -4.738 1.00 0.00 H new ATOM 0 HD22 ASN A 683 12.156 7.593 -4.044 1.00 0.00 H new TER 524 ASN A 683