USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=7 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 655 SER OG : rot -134:sc= -2.81! USER MOD Set 1.2: A 677 THR OG1 : rot 171:sc= -0.0808! USER MOD Set 2.1: A 657 GLN : amide:sc= -0.0979 K(o=-0.044,f=-1.5!) USER MOD Set 2.2: A 661 TYR OH : rot 30:sc= 0.054 USER MOD Set 3.1: A 654 TYR OH : rot -103:sc= 0.459 USER MOD Set 3.2: A 680 ASN :FLIP amide:sc= -0.263 F(o=-2.6,f=0.2) USER MOD Single : A 662 TYR OH : rot 30:sc= -0.84 USER MOD Single : A 664 SER OG : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.033) USER MOD Single : A 683 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 15.488 2.595 4.254 1.00 0.00 N ATOM 2 CA GLY A 651 16.354 1.404 4.477 1.00 0.00 C ATOM 3 C GLY A 651 15.685 0.113 4.054 1.00 0.00 C ATOM 4 O GLY A 651 16.247 -0.660 3.279 1.00 0.00 O ATOM 0 HA2 GLY A 651 17.284 1.526 3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 651 16.618 1.344 5.533 1.00 0.00 H new ATOM 9 N ALA A 652 14.481 -0.124 4.566 1.00 0.00 N ATOM 10 CA ALA A 652 13.737 -1.333 4.239 1.00 0.00 C ATOM 11 C ALA A 652 12.581 -1.030 3.292 1.00 0.00 C ATOM 12 O ALA A 652 12.381 -1.728 2.298 1.00 0.00 O ATOM 13 CB ALA A 652 13.222 -1.997 5.507 1.00 0.00 C ATOM 0 H ALA A 652 14.001 0.506 5.209 1.00 0.00 H new ATOM 0 HA ALA A 652 14.416 -2.019 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 652 12.668 -2.899 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 652 14.064 -2.260 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 652 12.564 -1.308 6.037 1.00 0.00 H new ATOM 19 N ASP A 653 11.822 0.012 3.615 1.00 0.00 N ATOM 20 CA ASP A 653 10.673 0.419 2.806 1.00 0.00 C ATOM 21 C ASP A 653 9.847 -0.788 2.378 1.00 0.00 C ATOM 22 O ASP A 653 9.308 -0.833 1.273 1.00 0.00 O ATOM 23 CB ASP A 653 11.131 1.210 1.577 1.00 0.00 C ATOM 24 CG ASP A 653 11.991 0.385 0.641 1.00 0.00 C ATOM 25 OD1 ASP A 653 11.426 -0.403 -0.147 1.00 0.00 O ATOM 26 OD2 ASP A 653 13.232 0.526 0.695 1.00 0.00 O ATOM 0 H ASP A 653 11.982 0.595 4.437 1.00 0.00 H new ATOM 0 HA ASP A 653 10.044 1.062 3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 653 10.257 1.573 1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 653 11.691 2.087 1.902 1.00 0.00 H new ATOM 31 N TYR A 654 9.757 -1.764 3.272 1.00 0.00 N ATOM 32 CA TYR A 654 9.000 -2.984 3.012 1.00 0.00 C ATOM 33 C TYR A 654 7.521 -2.705 2.797 1.00 0.00 C ATOM 34 O TYR A 654 6.777 -3.589 2.372 1.00 0.00 O ATOM 35 CB TYR A 654 9.178 -3.983 4.160 1.00 0.00 C ATOM 36 CG TYR A 654 9.203 -3.368 5.553 1.00 0.00 C ATOM 37 CD1 TYR A 654 8.648 -2.113 5.825 1.00 0.00 C ATOM 38 CD2 TYR A 654 9.786 -4.062 6.608 1.00 0.00 C ATOM 39 CE1 TYR A 654 8.680 -1.582 7.102 1.00 0.00 C ATOM 40 CE2 TYR A 654 9.817 -3.534 7.884 1.00 0.00 C ATOM 41 CZ TYR A 654 9.265 -2.296 8.126 1.00 0.00 C ATOM 42 OH TYR A 654 9.294 -1.769 9.397 1.00 0.00 O ATOM 0 H TYR A 654 10.202 -1.735 4.190 1.00 0.00 H new ATOM 0 HA TYR A 654 9.395 -3.414 2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 654 8.369 -4.712 4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 654 10.108 -4.530 4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 654 8.188 -1.550 5.026 1.00 0.00 H new ATOM 0 HD2 TYR A 654 10.223 -5.033 6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 654 8.248 -0.611 7.296 1.00 0.00 H new ATOM 0 HE2 TYR A 654 10.273 -4.091 8.689 1.00 0.00 H new ATOM 0 HH TYR A 654 10.191 -1.422 9.587 1.00 0.00 H new ATOM 52 N SER A 655 7.094 -1.481 3.066 1.00 0.00 N ATOM 53 CA SER A 655 5.707 -1.119 2.869 1.00 0.00 C ATOM 54 C SER A 655 5.519 -0.483 1.505 1.00 0.00 C ATOM 55 O SER A 655 4.593 0.297 1.289 1.00 0.00 O ATOM 56 CB SER A 655 5.236 -0.181 3.970 1.00 0.00 C ATOM 57 OG SER A 655 4.173 -0.768 4.692 1.00 0.00 O ATOM 0 H SER A 655 7.686 -0.729 3.419 1.00 0.00 H new ATOM 0 HA SER A 655 5.102 -2.025 2.914 1.00 0.00 H new ATOM 0 HB2 SER A 655 6.062 0.043 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 655 4.912 0.765 3.537 1.00 0.00 H new ATOM 0 HG SER A 655 3.458 -0.109 4.815 1.00 0.00 H new ATOM 63 N ALA A 656 6.402 -0.843 0.587 1.00 0.00 N ATOM 64 CA ALA A 656 6.347 -0.348 -0.766 1.00 0.00 C ATOM 65 C ALA A 656 5.948 -1.467 -1.697 1.00 0.00 C ATOM 66 O ALA A 656 5.199 -1.263 -2.652 1.00 0.00 O ATOM 67 CB ALA A 656 7.692 0.213 -1.194 1.00 0.00 C ATOM 0 H ALA A 656 7.173 -1.486 0.765 1.00 0.00 H new ATOM 0 HA ALA A 656 5.609 0.453 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 656 7.624 0.580 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 656 7.971 1.033 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 656 8.447 -0.571 -1.139 1.00 0.00 H new ATOM 73 N GLN A 657 6.466 -2.658 -1.417 1.00 0.00 N ATOM 74 CA GLN A 657 6.159 -3.801 -2.249 1.00 0.00 C ATOM 75 C GLN A 657 4.691 -4.179 -2.122 1.00 0.00 C ATOM 76 O GLN A 657 4.043 -4.510 -3.115 1.00 0.00 O ATOM 77 CB GLN A 657 7.058 -4.990 -1.905 1.00 0.00 C ATOM 78 CG GLN A 657 6.820 -6.207 -2.784 1.00 0.00 C ATOM 79 CD GLN A 657 8.107 -6.920 -3.152 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.150 -6.706 -2.535 1.00 0.00 O ATOM 81 NE2 GLN A 657 8.038 -7.776 -4.166 1.00 0.00 N ATOM 0 H GLN A 657 7.089 -2.849 -0.633 1.00 0.00 H new ATOM 0 HA GLN A 657 6.353 -3.525 -3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 657 8.100 -4.685 -1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 657 6.897 -5.267 -0.863 1.00 0.00 H new ATOM 0 HG2 GLN A 657 6.159 -6.902 -2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 657 6.307 -5.898 -3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 657 7.152 -7.923 -4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 657 8.871 -8.286 -4.460 1.00 0.00 H new ATOM 90 N TRP A 658 4.153 -4.095 -0.909 1.00 0.00 N ATOM 91 CA TRP A 658 2.744 -4.398 -0.700 1.00 0.00 C ATOM 92 C TRP A 658 1.918 -3.164 -1.000 1.00 0.00 C ATOM 93 O TRP A 658 0.718 -3.247 -1.254 1.00 0.00 O ATOM 94 CB TRP A 658 2.462 -4.858 0.734 1.00 0.00 C ATOM 95 CG TRP A 658 2.804 -6.289 0.981 1.00 0.00 C ATOM 96 CD1 TRP A 658 1.948 -7.321 1.242 1.00 0.00 C ATOM 97 CD2 TRP A 658 4.112 -6.840 0.993 1.00 0.00 C ATOM 98 NE1 TRP A 658 2.659 -8.485 1.416 1.00 0.00 N ATOM 99 CE2 TRP A 658 3.994 -8.212 1.267 1.00 0.00 C ATOM 100 CE3 TRP A 658 5.370 -6.290 0.796 1.00 0.00 C ATOM 101 CZ2 TRP A 658 5.104 -9.048 1.348 1.00 0.00 C ATOM 102 CZ3 TRP A 658 6.476 -7.116 0.875 1.00 0.00 C ATOM 103 CH2 TRP A 658 6.337 -8.484 1.149 1.00 0.00 C ATOM 0 H TRP A 658 4.663 -3.824 -0.068 1.00 0.00 H new ATOM 0 HA TRP A 658 2.475 -5.214 -1.371 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.028 -4.233 1.425 1.00 0.00 H new ATOM 0 HB3 TRP A 658 1.406 -4.702 0.956 1.00 0.00 H new ATOM 0 HD1 TRP A 658 0.873 -7.235 1.303 1.00 0.00 H new ATOM 0 HE1 TRP A 658 2.259 -9.400 1.622 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.483 -5.237 0.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 4.997 -10.102 1.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 7.462 -6.701 0.723 1.00 0.00 H new ATOM 0 HH2 TRP A 658 7.219 -9.105 1.204 1.00 0.00 H new ATOM 114 N ALA A 659 2.577 -2.008 -0.958 1.00 0.00 N ATOM 115 CA ALA A 659 1.907 -0.753 -1.212 1.00 0.00 C ATOM 116 C ALA A 659 1.612 -0.584 -2.696 1.00 0.00 C ATOM 117 O ALA A 659 0.575 -0.045 -3.070 1.00 0.00 O ATOM 118 CB ALA A 659 2.729 0.412 -0.677 1.00 0.00 C ATOM 0 H ALA A 659 3.572 -1.923 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 659 0.953 -0.762 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 659 2.208 1.348 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 659 2.866 0.297 0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 659 3.702 0.426 -1.168 1.00 0.00 H new ATOM 124 N GLU A 660 2.508 -1.061 -3.552 1.00 0.00 N ATOM 125 CA GLU A 660 2.282 -0.949 -4.988 1.00 0.00 C ATOM 126 C GLU A 660 1.262 -1.973 -5.456 1.00 0.00 C ATOM 127 O GLU A 660 0.869 -1.980 -6.622 1.00 0.00 O ATOM 128 CB GLU A 660 3.592 -1.102 -5.762 1.00 0.00 C ATOM 129 CG GLU A 660 4.409 0.178 -5.826 1.00 0.00 C ATOM 130 CD GLU A 660 4.674 0.632 -7.249 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.699 0.213 -7.825 1.00 0.00 O ATOM 132 OE2 GLU A 660 3.856 1.409 -7.784 1.00 0.00 O ATOM 0 H GLU A 660 3.379 -1.519 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 660 1.884 0.046 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 660 4.192 -1.884 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.369 -1.433 -6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 660 3.883 0.967 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 660 5.359 0.024 -5.315 1.00 0.00 H new ATOM 139 N TYR A 661 0.816 -2.821 -4.542 1.00 0.00 N ATOM 140 CA TYR A 661 -0.176 -3.817 -4.869 1.00 0.00 C ATOM 141 C TYR A 661 -1.559 -3.297 -4.523 1.00 0.00 C ATOM 142 O TYR A 661 -2.524 -3.572 -5.228 1.00 0.00 O ATOM 143 CB TYR A 661 0.127 -5.126 -4.139 1.00 0.00 C ATOM 144 CG TYR A 661 1.469 -5.720 -4.510 1.00 0.00 C ATOM 145 CD1 TYR A 661 2.007 -5.523 -5.776 1.00 0.00 C ATOM 146 CD2 TYR A 661 2.195 -6.480 -3.601 1.00 0.00 C ATOM 147 CE1 TYR A 661 3.227 -6.063 -6.126 1.00 0.00 C ATOM 148 CE2 TYR A 661 3.417 -7.026 -3.944 1.00 0.00 C ATOM 149 CZ TYR A 661 3.928 -6.816 -5.208 1.00 0.00 C ATOM 150 OH TYR A 661 5.145 -7.358 -5.553 1.00 0.00 O ATOM 0 H TYR A 661 1.129 -2.835 -3.571 1.00 0.00 H new ATOM 0 HA TYR A 661 -0.146 -4.020 -5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 661 0.100 -4.949 -3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 661 -0.657 -5.849 -4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 661 1.460 -4.936 -6.499 1.00 0.00 H new ATOM 0 HD2 TYR A 661 1.798 -6.647 -2.611 1.00 0.00 H new ATOM 0 HE1 TYR A 661 3.631 -5.897 -7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 661 3.969 -7.614 -3.226 1.00 0.00 H new ATOM 0 HH TYR A 661 5.583 -6.783 -6.215 1.00 0.00 H new ATOM 160 N TYR A 662 -1.654 -2.521 -3.448 1.00 0.00 N ATOM 161 CA TYR A 662 -2.935 -1.963 -3.050 1.00 0.00 C ATOM 162 C TYR A 662 -3.548 -1.162 -4.188 1.00 0.00 C ATOM 163 O TYR A 662 -4.758 -1.198 -4.408 1.00 0.00 O ATOM 164 CB TYR A 662 -2.804 -1.108 -1.788 1.00 0.00 C ATOM 165 CG TYR A 662 -1.866 0.071 -1.875 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.936 0.982 -2.914 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.942 0.289 -0.882 1.00 0.00 C ATOM 168 CE1 TYR A 662 -1.097 2.077 -2.970 1.00 0.00 C ATOM 169 CE2 TYR A 662 -0.097 1.385 -0.914 1.00 0.00 C ATOM 170 CZ TYR A 662 -0.175 2.275 -1.966 1.00 0.00 C ATOM 171 OH TYR A 662 0.662 3.367 -2.006 1.00 0.00 O ATOM 0 H TYR A 662 -0.870 -2.269 -2.846 1.00 0.00 H new ATOM 0 HA TYR A 662 -3.602 -2.793 -2.816 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -3.794 -0.739 -1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.472 -1.750 -0.972 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -2.663 0.833 -3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.874 -0.408 -0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -1.163 2.772 -3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.619 1.543 -0.121 1.00 0.00 H new ATOM 0 HH TYR A 662 0.213 4.106 -2.467 1.00 0.00 H new ATOM 181 N ARG A 663 -2.701 -0.432 -4.901 1.00 0.00 N ATOM 182 CA ARG A 663 -3.155 0.390 -6.013 1.00 0.00 C ATOM 183 C ARG A 663 -3.784 -0.455 -7.120 1.00 0.00 C ATOM 184 O ARG A 663 -4.352 0.087 -8.068 1.00 0.00 O ATOM 185 CB ARG A 663 -1.990 1.207 -6.573 1.00 0.00 C ATOM 186 CG ARG A 663 -0.909 0.354 -7.217 1.00 0.00 C ATOM 187 CD ARG A 663 0.403 1.112 -7.345 1.00 0.00 C ATOM 188 NE ARG A 663 0.398 2.022 -8.488 1.00 0.00 N ATOM 189 CZ ARG A 663 -0.011 3.288 -8.431 1.00 0.00 C ATOM 190 NH1 ARG A 663 -0.445 3.807 -7.288 1.00 0.00 N ATOM 191 NH2 ARG A 663 0.018 4.039 -9.524 1.00 0.00 N ATOM 0 H ARG A 663 -1.696 -0.393 -4.729 1.00 0.00 H new ATOM 0 HA ARG A 663 -3.922 1.066 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -2.372 1.913 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -1.548 1.794 -5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -0.753 -0.546 -6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -1.240 0.030 -8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 663 0.586 1.678 -6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 663 1.223 0.402 -7.450 1.00 0.00 H new ATOM 0 HE ARG A 663 0.728 1.666 -9.385 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -0.467 3.235 -6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -0.756 4.778 -7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 663 0.353 3.646 -10.404 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -0.294 5.009 -9.485 1.00 0.00 H new ATOM 205 N SER A 664 -3.682 -1.780 -7.009 1.00 0.00 N ATOM 206 CA SER A 664 -4.252 -2.659 -8.024 1.00 0.00 C ATOM 207 C SER A 664 -5.020 -3.829 -7.415 1.00 0.00 C ATOM 208 O SER A 664 -5.844 -4.450 -8.087 1.00 0.00 O ATOM 209 CB SER A 664 -3.154 -3.176 -8.955 1.00 0.00 C ATOM 210 OG SER A 664 -3.597 -3.202 -10.302 1.00 0.00 O ATOM 0 H SER A 664 -3.217 -2.260 -6.238 1.00 0.00 H new ATOM 0 HA SER A 664 -4.966 -2.067 -8.597 1.00 0.00 H new ATOM 0 HB2 SER A 664 -2.273 -2.540 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 664 -2.855 -4.178 -8.648 1.00 0.00 H new ATOM 0 HG SER A 664 -2.876 -3.535 -10.877 1.00 0.00 H new ATOM 216 N VAL A 665 -4.768 -4.122 -6.146 1.00 0.00 N ATOM 217 CA VAL A 665 -5.461 -5.209 -5.467 1.00 0.00 C ATOM 218 C VAL A 665 -6.739 -4.699 -4.811 1.00 0.00 C ATOM 219 O VAL A 665 -7.271 -5.332 -3.898 1.00 0.00 O ATOM 220 CB VAL A 665 -4.576 -5.860 -4.383 1.00 0.00 C ATOM 221 CG1 VAL A 665 -5.178 -7.177 -3.921 1.00 0.00 C ATOM 222 CG2 VAL A 665 -3.152 -6.062 -4.882 1.00 0.00 C ATOM 0 H VAL A 665 -4.091 -3.624 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 665 -5.700 -5.957 -6.223 1.00 0.00 H new ATOM 0 HB VAL A 665 -4.536 -5.182 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -4.540 -7.621 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -6.170 -6.998 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -5.257 -7.858 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 665 -2.553 -6.522 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -3.162 -6.711 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -2.720 -5.098 -5.150 1.00 0.00 H new ATOM 232 N GLY A 666 -7.218 -3.541 -5.262 1.00 0.00 N ATOM 233 CA GLY A 666 -8.412 -2.964 -4.682 1.00 0.00 C ATOM 234 C GLY A 666 -8.177 -2.547 -3.254 1.00 0.00 C ATOM 235 O GLY A 666 -9.099 -2.538 -2.437 1.00 0.00 O ATOM 0 H GLY A 666 -6.800 -2.997 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -8.724 -2.100 -5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -9.226 -3.688 -4.723 1.00 0.00 H new ATOM 239 N LYS A 667 -6.933 -2.193 -2.956 1.00 0.00 N ATOM 240 CA LYS A 667 -6.571 -1.760 -1.614 1.00 0.00 C ATOM 241 C LYS A 667 -6.144 -0.305 -1.611 1.00 0.00 C ATOM 242 O LYS A 667 -5.553 0.174 -0.651 1.00 0.00 O ATOM 243 CB LYS A 667 -5.450 -2.638 -1.044 1.00 0.00 C ATOM 244 CG LYS A 667 -5.798 -3.296 0.278 1.00 0.00 C ATOM 245 CD LYS A 667 -4.667 -4.184 0.774 1.00 0.00 C ATOM 246 CE LYS A 667 -5.120 -5.625 0.948 1.00 0.00 C ATOM 247 NZ LYS A 667 -4.016 -6.499 1.433 1.00 0.00 N ATOM 0 H LYS A 667 -6.161 -2.197 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 667 -7.453 -1.863 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.203 -3.412 -1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.556 -2.029 -0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -6.013 -2.529 1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -6.704 -3.890 0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -3.838 -4.146 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -4.294 -3.802 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -5.949 -5.662 1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -5.493 -6.006 -0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -4.365 -7.473 1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -3.234 -6.484 0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -3.676 -6.151 2.352 1.00 0.00 H new ATOM 261 N ILE A 668 -6.443 0.389 -2.693 1.00 0.00 N ATOM 262 CA ILE A 668 -6.083 1.796 -2.824 1.00 0.00 C ATOM 263 C ILE A 668 -6.487 2.607 -1.596 1.00 0.00 C ATOM 264 O ILE A 668 -5.877 3.632 -1.297 1.00 0.00 O ATOM 265 CB ILE A 668 -6.709 2.425 -4.084 1.00 0.00 C ATOM 266 CG1 ILE A 668 -6.190 3.856 -4.280 1.00 0.00 C ATOM 267 CG2 ILE A 668 -8.229 2.395 -3.998 1.00 0.00 C ATOM 268 CD1 ILE A 668 -6.930 4.906 -3.473 1.00 0.00 C ATOM 0 H ILE A 668 -6.936 0.003 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.997 1.826 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.413 1.837 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -5.134 3.887 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -6.258 4.113 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -8.653 2.843 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -8.568 1.363 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -8.555 2.958 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -6.499 5.887 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -7.982 4.908 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -6.841 4.678 -2.411 1.00 0.00 H new ATOM 280 N GLU A 669 -7.502 2.146 -0.875 1.00 0.00 N ATOM 281 CA GLU A 669 -7.935 2.850 0.328 1.00 0.00 C ATOM 282 C GLU A 669 -7.117 2.383 1.514 1.00 0.00 C ATOM 283 O GLU A 669 -6.432 3.183 2.151 1.00 0.00 O ATOM 284 CB GLU A 669 -9.433 2.651 0.577 1.00 0.00 C ATOM 285 CG GLU A 669 -10.308 3.668 -0.139 1.00 0.00 C ATOM 286 CD GLU A 669 -11.756 3.227 -0.236 1.00 0.00 C ATOM 287 OE1 GLU A 669 -12.259 2.620 0.732 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.388 3.490 -1.282 1.00 0.00 O ATOM 0 H GLU A 669 -8.033 1.304 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 669 -7.771 3.918 0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.717 1.649 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.626 2.708 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -10.257 4.621 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -9.916 3.837 -1.142 1.00 0.00 H new ATOM 295 N GLU A 670 -7.130 1.083 1.777 1.00 0.00 N ATOM 296 CA GLU A 670 -6.313 0.548 2.852 1.00 0.00 C ATOM 297 C GLU A 670 -4.849 0.818 2.515 1.00 0.00 C ATOM 298 O GLU A 670 -3.971 0.752 3.377 1.00 0.00 O ATOM 299 CB GLU A 670 -6.559 -0.950 3.035 1.00 0.00 C ATOM 300 CG GLU A 670 -6.737 -1.362 4.487 1.00 0.00 C ATOM 301 CD GLU A 670 -7.889 -0.641 5.162 1.00 0.00 C ATOM 302 OE1 GLU A 670 -7.690 0.508 5.610 1.00 0.00 O ATOM 303 OE2 GLU A 670 -8.990 -1.226 5.246 1.00 0.00 O ATOM 0 H GLU A 670 -7.686 0.393 1.271 1.00 0.00 H new ATOM 0 HA GLU A 670 -6.576 1.033 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.448 -1.235 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.722 -1.502 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.907 -2.437 4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -5.816 -1.159 5.034 1.00 0.00 H new ATOM 310 N ALA A 671 -4.608 1.145 1.238 1.00 0.00 N ATOM 311 CA ALA A 671 -3.285 1.456 0.741 1.00 0.00 C ATOM 312 C ALA A 671 -2.613 2.488 1.620 1.00 0.00 C ATOM 313 O ALA A 671 -1.454 2.331 2.005 1.00 0.00 O ATOM 314 CB ALA A 671 -3.385 1.977 -0.684 1.00 0.00 C ATOM 0 H ALA A 671 -5.337 1.198 0.527 1.00 0.00 H new ATOM 0 HA ALA A 671 -2.684 0.547 0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.388 2.211 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.840 1.217 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -3.999 2.878 -0.700 1.00 0.00 H new ATOM 320 N GLU A 672 -3.345 3.550 1.946 1.00 0.00 N ATOM 321 CA GLU A 672 -2.787 4.598 2.796 1.00 0.00 C ATOM 322 C GLU A 672 -2.179 4.006 4.067 1.00 0.00 C ATOM 323 O GLU A 672 -1.325 4.624 4.702 1.00 0.00 O ATOM 324 CB GLU A 672 -3.856 5.635 3.147 1.00 0.00 C ATOM 325 CG GLU A 672 -4.534 6.247 1.931 1.00 0.00 C ATOM 326 CD GLU A 672 -3.551 6.920 0.994 1.00 0.00 C ATOM 327 OE1 GLU A 672 -3.045 8.006 1.345 1.00 0.00 O ATOM 328 OE2 GLU A 672 -3.286 6.360 -0.092 1.00 0.00 O ATOM 0 H GLU A 672 -4.306 3.707 1.642 1.00 0.00 H new ATOM 0 HA GLU A 672 -1.993 5.095 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.612 5.166 3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -3.399 6.430 3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -5.072 5.469 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -5.274 6.976 2.261 1.00 0.00 H new ATOM 335 N ALA A 673 -2.616 2.801 4.426 1.00 0.00 N ATOM 336 CA ALA A 673 -2.108 2.123 5.610 1.00 0.00 C ATOM 337 C ALA A 673 -0.718 1.573 5.379 1.00 0.00 C ATOM 338 O ALA A 673 0.254 2.033 5.978 1.00 0.00 O ATOM 339 CB ALA A 673 -3.032 0.984 5.998 1.00 0.00 C ATOM 0 H ALA A 673 -3.322 2.275 3.911 1.00 0.00 H new ATOM 0 HA ALA A 673 -2.064 2.857 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -2.642 0.485 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -4.026 1.378 6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -3.094 0.270 5.177 1.00 0.00 H new ATOM 345 N ILE A 674 -0.629 0.579 4.510 1.00 0.00 N ATOM 346 CA ILE A 674 0.641 -0.034 4.211 1.00 0.00 C ATOM 347 C ILE A 674 1.540 0.949 3.469 1.00 0.00 C ATOM 348 O ILE A 674 2.744 0.736 3.356 1.00 0.00 O ATOM 349 CB ILE A 674 0.450 -1.330 3.400 1.00 0.00 C ATOM 350 CG1 ILE A 674 1.799 -2.019 3.147 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.290 -1.038 2.104 1.00 0.00 C ATOM 352 CD1 ILE A 674 2.423 -1.687 1.810 1.00 0.00 C ATOM 0 H ILE A 674 -1.422 0.185 4.004 1.00 0.00 H new ATOM 0 HA ILE A 674 1.125 -0.301 5.150 1.00 0.00 H new ATOM 0 HB ILE A 674 -0.160 -2.022 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 674 2.493 -1.737 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 674 1.661 -3.098 3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -0.418 -1.963 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -1.268 -0.614 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 674 0.284 -0.328 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 674 3.372 -2.214 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 674 1.751 -1.995 1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 674 2.596 -0.613 1.746 1.00 0.00 H new ATOM 364 N GLU A 675 0.953 2.050 2.989 1.00 0.00 N ATOM 365 CA GLU A 675 1.717 3.070 2.294 1.00 0.00 C ATOM 366 C GLU A 675 2.429 3.973 3.298 1.00 0.00 C ATOM 367 O GLU A 675 3.442 4.593 2.975 1.00 0.00 O ATOM 368 CB GLU A 675 0.799 3.900 1.395 1.00 0.00 C ATOM 369 CG GLU A 675 1.542 4.842 0.464 1.00 0.00 C ATOM 370 CD GLU A 675 0.657 5.956 -0.061 1.00 0.00 C ATOM 371 OE1 GLU A 675 -0.568 5.740 -0.166 1.00 0.00 O ATOM 372 OE2 GLU A 675 1.191 7.043 -0.367 1.00 0.00 O ATOM 0 H GLU A 675 -0.044 2.250 3.072 1.00 0.00 H new ATOM 0 HA GLU A 675 2.466 2.580 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 675 0.183 3.226 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 675 0.122 4.482 2.021 1.00 0.00 H new ATOM 0 HG2 GLU A 675 2.391 5.275 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 675 1.944 4.275 -0.376 1.00 0.00 H new ATOM 379 N LYS A 676 1.895 4.046 4.521 1.00 0.00 N ATOM 380 CA LYS A 676 2.499 4.880 5.556 1.00 0.00 C ATOM 381 C LYS A 676 3.661 4.173 6.237 1.00 0.00 C ATOM 382 O LYS A 676 4.484 4.819 6.888 1.00 0.00 O ATOM 383 CB LYS A 676 1.450 5.302 6.588 1.00 0.00 C ATOM 384 CG LYS A 676 1.039 6.762 6.477 1.00 0.00 C ATOM 385 CD LYS A 676 -0.389 6.979 6.955 1.00 0.00 C ATOM 386 CE LYS A 676 -0.425 7.571 8.354 1.00 0.00 C ATOM 387 NZ LYS A 676 -1.818 7.693 8.868 1.00 0.00 N ATOM 0 H LYS A 676 1.057 3.544 4.813 1.00 0.00 H new ATOM 0 HA LYS A 676 2.893 5.773 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 676 0.566 4.675 6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 676 1.842 5.119 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 676 1.718 7.378 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 676 1.130 7.089 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -0.908 7.644 6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -0.925 6.030 6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 676 0.158 6.944 9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 676 0.046 8.554 8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -1.801 8.101 9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -2.368 8.312 8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -2.260 6.752 8.901 1.00 0.00 H new ATOM 401 N THR A 677 3.764 2.860 6.063 1.00 0.00 N ATOM 402 CA THR A 677 4.879 2.133 6.651 1.00 0.00 C ATOM 403 C THR A 677 6.085 2.257 5.730 1.00 0.00 C ATOM 404 O THR A 677 7.223 2.025 6.140 1.00 0.00 O ATOM 405 CB THR A 677 4.531 0.665 6.910 1.00 0.00 C ATOM 406 OG1 THR A 677 3.227 0.365 6.441 1.00 0.00 O ATOM 407 CG2 THR A 677 4.580 0.296 8.378 1.00 0.00 C ATOM 0 H THR A 677 3.105 2.290 5.532 1.00 0.00 H new ATOM 0 HA THR A 677 5.112 2.570 7.622 1.00 0.00 H new ATOM 0 HB THR A 677 5.285 0.089 6.374 1.00 0.00 H new ATOM 0 HG1 THR A 677 3.079 -0.603 6.482 1.00 0.00 H new ATOM 0 HG21 THR A 677 4.324 -0.757 8.497 1.00 0.00 H new ATOM 0 HG22 THR A 677 5.584 0.471 8.764 1.00 0.00 H new ATOM 0 HG23 THR A 677 3.867 0.908 8.931 1.00 0.00 H new ATOM 415 N LEU A 678 5.825 2.665 4.482 1.00 0.00 N ATOM 416 CA LEU A 678 6.886 2.865 3.510 1.00 0.00 C ATOM 417 C LEU A 678 7.902 3.844 4.071 1.00 0.00 C ATOM 418 O LEU A 678 9.102 3.724 3.825 1.00 0.00 O ATOM 419 CB LEU A 678 6.314 3.396 2.195 1.00 0.00 C ATOM 420 CG LEU A 678 6.905 2.770 0.933 1.00 0.00 C ATOM 421 CD1 LEU A 678 5.881 2.776 -0.189 1.00 0.00 C ATOM 422 CD2 LEU A 678 8.167 3.507 0.513 1.00 0.00 C ATOM 0 H LEU A 678 4.888 2.861 4.130 1.00 0.00 H new ATOM 0 HA LEU A 678 7.372 1.910 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 678 5.236 3.232 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 678 6.473 4.474 2.156 1.00 0.00 H new ATOM 0 HG LEU A 678 7.171 1.736 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 678 6.317 2.327 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 678 5.005 2.203 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 678 5.586 3.802 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 678 8.574 3.047 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 678 7.928 4.551 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 678 8.904 3.451 1.314 1.00 0.00 H new ATOM 434 N LYS A 679 7.410 4.806 4.854 1.00 0.00 N ATOM 435 CA LYS A 679 8.283 5.793 5.477 1.00 0.00 C ATOM 436 C LYS A 679 8.874 5.236 6.775 1.00 0.00 C ATOM 437 O LYS A 679 9.019 5.956 7.763 1.00 0.00 O ATOM 438 CB LYS A 679 7.512 7.085 5.761 1.00 0.00 C ATOM 439 CG LYS A 679 7.690 8.146 4.687 1.00 0.00 C ATOM 440 CD LYS A 679 6.551 8.117 3.681 1.00 0.00 C ATOM 441 CE LYS A 679 7.054 8.337 2.265 1.00 0.00 C ATOM 442 NZ LYS A 679 6.067 7.881 1.249 1.00 0.00 N ATOM 0 H LYS A 679 6.419 4.919 5.068 1.00 0.00 H new ATOM 0 HA LYS A 679 9.098 6.017 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 679 6.452 6.852 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 679 7.838 7.490 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 679 7.741 9.131 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 679 8.637 7.987 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 679 6.036 7.158 3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 679 5.822 8.887 3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 679 7.266 9.396 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 679 7.993 7.801 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 6.448 8.048 0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 5.883 6.865 1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 5.179 8.410 1.365 1.00 0.00 H new ATOM 456 N ASN A 680 9.209 3.945 6.761 1.00 0.00 N ATOM 457 CA ASN A 680 9.778 3.283 7.928 1.00 0.00 C ATOM 458 C ASN A 680 11.085 3.946 8.348 1.00 0.00 C ATOM 459 O ASN A 680 11.308 4.208 9.530 1.00 0.00 O ATOM 460 CB ASN A 680 10.015 1.798 7.628 1.00 0.00 C ATOM 461 CG ASN A 680 10.197 0.977 8.889 1.00 0.00 C ATOM 462 OD1 ASN A 680 11.145 0.047 8.857 1.00 0.00 O flip ATOM 463 ND2 ASN A 680 9.495 1.174 9.879 1.00 0.00 N flip ATOM 0 H ASN A 680 9.094 3.338 5.949 1.00 0.00 H new ATOM 0 HA ASN A 680 9.069 3.373 8.751 1.00 0.00 H new ATOM 0 HB2 ASN A 680 9.171 1.405 7.060 1.00 0.00 H new ATOM 0 HB3 ASN A 680 10.899 1.694 6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 680 8.778 1.899 9.860 1.00 0.00 H new ATOM 0 HD22 ASN A 680 9.630 0.612 10.720 1.00 0.00 H new ATOM 470 N LYS A 681 11.946 4.216 7.373 1.00 0.00 N ATOM 471 CA LYS A 681 13.232 4.851 7.642 1.00 0.00 C ATOM 472 C LYS A 681 13.163 6.351 7.376 1.00 0.00 C ATOM 473 O LYS A 681 12.486 6.797 6.448 1.00 0.00 O ATOM 474 CB LYS A 681 14.327 4.218 6.782 1.00 0.00 C ATOM 475 CG LYS A 681 15.659 4.078 7.501 1.00 0.00 C ATOM 476 CD LYS A 681 15.552 3.141 8.692 1.00 0.00 C ATOM 477 CE LYS A 681 16.917 2.618 9.112 1.00 0.00 C ATOM 478 NZ LYS A 681 16.859 1.190 9.530 1.00 0.00 N ATOM 0 H LYS A 681 11.777 4.005 6.389 1.00 0.00 H new ATOM 0 HA LYS A 681 13.473 4.697 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 681 13.996 3.233 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 681 14.469 4.822 5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 681 16.411 3.702 6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 681 15.997 5.058 7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 681 15.088 3.665 9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 681 14.902 2.303 8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 681 17.618 2.726 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 681 17.300 3.222 9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 17.809 0.871 9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 16.210 1.090 10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 16.518 0.610 8.737 1.00 0.00 H new ATOM 492 N GLN A 682 13.868 7.125 8.194 1.00 0.00 N ATOM 493 CA GLN A 682 13.888 8.576 8.046 1.00 0.00 C ATOM 494 C GLN A 682 15.095 9.025 7.230 1.00 0.00 C ATOM 495 O GLN A 682 16.219 9.055 7.731 1.00 0.00 O ATOM 496 CB GLN A 682 13.907 9.249 9.419 1.00 0.00 C ATOM 497 CG GLN A 682 13.482 10.708 9.389 1.00 0.00 C ATOM 498 CD GLN A 682 12.939 11.184 10.722 1.00 0.00 C ATOM 499 OE1 GLN A 682 13.417 12.171 11.283 1.00 0.00 O ATOM 500 NE2 GLN A 682 11.934 10.485 11.235 1.00 0.00 N ATOM 0 H GLN A 682 14.433 6.772 8.966 1.00 0.00 H new ATOM 0 HA GLN A 682 12.984 8.874 7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 682 13.247 8.701 10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 682 14.913 9.181 9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 682 14.335 11.325 9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 682 12.721 10.845 8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 682 11.569 9.674 10.735 1.00 0.00 H new ATOM 0 HE22 GLN A 682 11.526 10.759 12.129 1.00 0.00 H new ATOM 509 N ASN A 683 14.855 9.374 5.970 1.00 0.00 N ATOM 510 CA ASN A 683 15.921 9.822 5.082 1.00 0.00 C ATOM 511 C ASN A 683 16.030 11.343 5.090 1.00 0.00 C ATOM 512 O ASN A 683 16.875 11.878 4.342 1.00 0.00 O ATOM 513 CB ASN A 683 15.669 9.323 3.658 1.00 0.00 C ATOM 514 CG ASN A 683 16.247 7.942 3.417 1.00 0.00 C ATOM 515 OD1 ASN A 683 17.392 7.802 2.987 1.00 0.00 O ATOM 516 ND2 ASN A 683 15.454 6.912 3.693 1.00 0.00 N ATOM 517 OXT ASN A 683 15.268 11.986 5.842 1.00 0.00 O ATOM 0 H ASN A 683 13.930 9.355 5.541 1.00 0.00 H new ATOM 0 HA ASN A 683 16.862 9.407 5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 683 14.596 9.303 3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 683 16.105 10.025 2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 683 15.788 5.959 3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 683 14.512 7.075 4.048 1.00 0.00 H new TER 524 ASN A 683