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 661 TYR OH : rot 43:sc= 1.19 USER MOD Set 1.2: A 662 TYR OH : rot 180:sc= 0.0596 USER MOD Set 2.1: A 655 SER OG : rot -137:sc= -2.04! USER MOD Set 2.2: A 677 THR OG1 : rot 171:sc= 0.0323! USER MOD Single : A 654 TYR OH : rot 180:sc= 0 USER MOD Single : A 657 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.89) USER MOD Single : A 664 SER OG : rot 37:sc= 0.592 USER MOD Single : A 667 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00292) 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 680 ASN : amide:sc= -3.03! C(o=-3!,f=-6.6!) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= -0.0466 K(o=-0.047,f=-1.3!) USER MOD Single : A 683 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 17.879 2.735 5.635 1.00 0.00 N ATOM 2 CA GLY A 651 16.580 2.539 4.935 1.00 0.00 C ATOM 3 C GLY A 651 16.418 1.132 4.397 1.00 0.00 C ATOM 4 O GLY A 651 17.359 0.557 3.849 1.00 0.00 O ATOM 0 HA2 GLY A 651 15.763 2.758 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 651 16.503 3.250 4.113 1.00 0.00 H new ATOM 9 N ALA A 652 15.221 0.575 4.553 1.00 0.00 N ATOM 10 CA ALA A 652 14.939 -0.774 4.077 1.00 0.00 C ATOM 11 C ALA A 652 13.872 -0.762 2.990 1.00 0.00 C ATOM 12 O ALA A 652 14.052 -1.340 1.919 1.00 0.00 O ATOM 13 CB ALA A 652 14.505 -1.662 5.235 1.00 0.00 C ATOM 0 H ALA A 652 14.432 1.037 5.005 1.00 0.00 H new ATOM 0 HA ALA A 652 15.855 -1.178 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 652 14.298 -2.666 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 652 15.301 -1.706 5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 652 13.605 -1.250 5.692 1.00 0.00 H new ATOM 19 N ASP A 653 12.760 -0.098 3.277 1.00 0.00 N ATOM 20 CA ASP A 653 11.653 -0.004 2.333 1.00 0.00 C ATOM 21 C ASP A 653 10.987 -1.356 2.153 1.00 0.00 C ATOM 22 O ASP A 653 11.535 -2.260 1.522 1.00 0.00 O ATOM 23 CB ASP A 653 12.135 0.534 0.985 1.00 0.00 C ATOM 24 CG ASP A 653 11.003 1.098 0.149 1.00 0.00 C ATOM 25 OD1 ASP A 653 10.081 0.329 -0.198 1.00 0.00 O ATOM 26 OD2 ASP A 653 11.038 2.308 -0.160 1.00 0.00 O ATOM 0 H ASP A 653 12.600 0.386 4.161 1.00 0.00 H new ATOM 0 HA ASP A 653 10.920 0.692 2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 653 12.881 1.311 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 653 12.627 -0.266 0.432 1.00 0.00 H new ATOM 31 N TYR A 654 9.802 -1.481 2.727 1.00 0.00 N ATOM 32 CA TYR A 654 9.039 -2.722 2.653 1.00 0.00 C ATOM 33 C TYR A 654 7.540 -2.471 2.660 1.00 0.00 C ATOM 34 O TYR A 654 6.756 -3.379 2.385 1.00 0.00 O ATOM 35 CB TYR A 654 9.412 -3.652 3.812 1.00 0.00 C ATOM 36 CG TYR A 654 9.823 -2.941 5.092 1.00 0.00 C ATOM 37 CD1 TYR A 654 9.308 -1.690 5.441 1.00 0.00 C ATOM 38 CD2 TYR A 654 10.728 -3.537 5.962 1.00 0.00 C ATOM 39 CE1 TYR A 654 9.689 -1.064 6.612 1.00 0.00 C ATOM 40 CE2 TYR A 654 11.112 -2.914 7.135 1.00 0.00 C ATOM 41 CZ TYR A 654 10.589 -1.679 7.455 1.00 0.00 C ATOM 42 OH TYR A 654 10.970 -1.057 8.622 1.00 0.00 O ATOM 0 H TYR A 654 9.343 -0.736 3.252 1.00 0.00 H new ATOM 0 HA TYR A 654 9.295 -3.199 1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 654 8.562 -4.299 4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 654 10.230 -4.298 3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 654 8.601 -1.205 4.785 1.00 0.00 H new ATOM 0 HD2 TYR A 654 11.139 -4.505 5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 654 9.283 -0.096 6.866 1.00 0.00 H new ATOM 0 HE2 TYR A 654 11.818 -3.392 7.797 1.00 0.00 H new ATOM 0 HH TYR A 654 11.609 -1.625 9.102 1.00 0.00 H new ATOM 52 N SER A 655 7.137 -1.245 2.953 1.00 0.00 N ATOM 53 CA SER A 655 5.729 -0.913 2.961 1.00 0.00 C ATOM 54 C SER A 655 5.335 -0.264 1.646 1.00 0.00 C ATOM 55 O SER A 655 4.374 0.499 1.570 1.00 0.00 O ATOM 56 CB SER A 655 5.403 -0.009 4.136 1.00 0.00 C ATOM 57 OG SER A 655 4.542 -0.677 5.038 1.00 0.00 O ATOM 0 H SER A 655 7.761 -0.473 3.186 1.00 0.00 H new ATOM 0 HA SER A 655 5.152 -1.831 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 655 6.321 0.283 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 655 4.931 0.907 3.780 1.00 0.00 H new ATOM 0 HG SER A 655 3.843 -0.060 5.340 1.00 0.00 H new ATOM 63 N ALA A 656 6.086 -0.598 0.608 1.00 0.00 N ATOM 64 CA ALA A 656 5.831 -0.089 -0.719 1.00 0.00 C ATOM 65 C ALA A 656 5.360 -1.217 -1.606 1.00 0.00 C ATOM 66 O ALA A 656 4.503 -1.030 -2.470 1.00 0.00 O ATOM 67 CB ALA A 656 7.082 0.532 -1.311 1.00 0.00 C ATOM 0 H ALA A 656 6.886 -1.228 0.667 1.00 0.00 H new ATOM 0 HA ALA A 656 5.062 0.681 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 656 6.864 0.908 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 656 7.414 1.355 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 656 7.869 -0.220 -1.370 1.00 0.00 H new ATOM 73 N GLN A 657 5.933 -2.395 -1.391 1.00 0.00 N ATOM 74 CA GLN A 657 5.560 -3.548 -2.192 1.00 0.00 C ATOM 75 C GLN A 657 4.130 -3.958 -1.884 1.00 0.00 C ATOM 76 O GLN A 657 3.421 -4.469 -2.751 1.00 0.00 O ATOM 77 CB GLN A 657 6.504 -4.739 -1.977 1.00 0.00 C ATOM 78 CG GLN A 657 7.698 -4.432 -1.096 1.00 0.00 C ATOM 79 CD GLN A 657 8.793 -5.475 -1.205 1.00 0.00 C ATOM 80 OE1 GLN A 657 8.519 -6.674 -1.272 1.00 0.00 O ATOM 81 NE2 GLN A 657 10.041 -5.023 -1.222 1.00 0.00 N ATOM 0 H GLN A 657 6.644 -2.573 -0.682 1.00 0.00 H new ATOM 0 HA GLN A 657 5.641 -3.253 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 657 5.940 -5.560 -1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 657 6.861 -5.085 -2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 657 8.103 -3.457 -1.368 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.370 -4.363 -0.059 1.00 0.00 H new ATOM 0 HE21 GLN A 657 10.221 -4.021 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.820 -5.678 -1.293 1.00 0.00 H new ATOM 90 N TRP A 658 3.701 -3.719 -0.648 1.00 0.00 N ATOM 91 CA TRP A 658 2.347 -4.056 -0.252 1.00 0.00 C ATOM 92 C TRP A 658 1.418 -2.909 -0.600 1.00 0.00 C ATOM 93 O TRP A 658 0.264 -3.111 -0.974 1.00 0.00 O ATOM 94 CB TRP A 658 2.253 -4.369 1.243 1.00 0.00 C ATOM 95 CG TRP A 658 2.652 -5.768 1.579 1.00 0.00 C ATOM 96 CD1 TRP A 658 1.870 -6.754 2.110 1.00 0.00 C ATOM 97 CD2 TRP A 658 3.945 -6.331 1.403 1.00 0.00 C ATOM 98 NE1 TRP A 658 2.610 -7.902 2.273 1.00 0.00 N ATOM 99 CE2 TRP A 658 3.891 -7.665 1.844 1.00 0.00 C ATOM 100 CE3 TRP A 658 5.142 -5.827 0.911 1.00 0.00 C ATOM 101 CZ2 TRP A 658 5.002 -8.504 1.805 1.00 0.00 C ATOM 102 CZ3 TRP A 658 6.247 -6.657 0.871 1.00 0.00 C ATOM 103 CH2 TRP A 658 6.170 -7.984 1.316 1.00 0.00 C ATOM 0 H TRP A 658 4.269 -3.297 0.087 1.00 0.00 H new ATOM 0 HA TRP A 658 2.050 -4.953 -0.795 1.00 0.00 H new ATOM 0 HB2 TRP A 658 2.889 -3.675 1.793 1.00 0.00 H new ATOM 0 HB3 TRP A 658 1.230 -4.199 1.579 1.00 0.00 H new ATOM 0 HD1 TRP A 658 0.826 -6.648 2.364 1.00 0.00 H new ATOM 0 HE1 TRP A 658 2.263 -8.784 2.651 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.208 -4.806 0.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 4.944 -9.527 2.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 7.184 -6.277 0.491 1.00 0.00 H new ATOM 0 HH2 TRP A 658 7.050 -8.609 1.272 1.00 0.00 H new ATOM 114 N ALA A 659 1.940 -1.698 -0.486 1.00 0.00 N ATOM 115 CA ALA A 659 1.170 -0.513 -0.802 1.00 0.00 C ATOM 116 C ALA A 659 1.167 -0.266 -2.305 1.00 0.00 C ATOM 117 O ALA A 659 0.519 0.663 -2.785 1.00 0.00 O ATOM 118 CB ALA A 659 1.720 0.694 -0.051 1.00 0.00 C ATOM 0 H ALA A 659 2.894 -1.513 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 659 0.140 -0.670 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 659 1.130 1.577 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 659 1.665 0.511 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 659 2.759 0.859 -0.338 1.00 0.00 H new ATOM 124 N GLU A 660 1.892 -1.105 -3.050 1.00 0.00 N ATOM 125 CA GLU A 660 1.952 -0.965 -4.495 1.00 0.00 C ATOM 126 C GLU A 660 0.960 -1.893 -5.171 1.00 0.00 C ATOM 127 O GLU A 660 0.263 -1.494 -6.105 1.00 0.00 O ATOM 128 CB GLU A 660 3.369 -1.236 -5.008 1.00 0.00 C ATOM 129 CG GLU A 660 4.262 -0.007 -5.005 1.00 0.00 C ATOM 130 CD GLU A 660 4.017 0.896 -6.198 1.00 0.00 C ATOM 131 OE1 GLU A 660 2.842 1.047 -6.596 1.00 0.00 O ATOM 132 OE2 GLU A 660 4.998 1.452 -6.734 1.00 0.00 O ATOM 0 H GLU A 660 2.439 -1.880 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 660 1.685 0.062 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.828 -2.010 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.310 -1.630 -6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 660 4.095 0.557 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 660 5.306 -0.321 -5.000 1.00 0.00 H new ATOM 139 N TYR A 661 0.878 -3.123 -4.690 1.00 0.00 N ATOM 140 CA TYR A 661 -0.057 -4.080 -5.255 1.00 0.00 C ATOM 141 C TYR A 661 -1.473 -3.756 -4.790 1.00 0.00 C ATOM 142 O TYR A 661 -2.449 -4.095 -5.460 1.00 0.00 O ATOM 143 CB TYR A 661 0.340 -5.514 -4.889 1.00 0.00 C ATOM 144 CG TYR A 661 -0.142 -5.971 -3.532 1.00 0.00 C ATOM 145 CD1 TYR A 661 0.324 -5.374 -2.368 1.00 0.00 C ATOM 146 CD2 TYR A 661 -1.063 -7.004 -3.419 1.00 0.00 C ATOM 147 CE1 TYR A 661 -0.119 -5.799 -1.127 1.00 0.00 C ATOM 148 CE2 TYR A 661 -1.508 -7.434 -2.184 1.00 0.00 C ATOM 149 CZ TYR A 661 -1.033 -6.828 -1.041 1.00 0.00 C ATOM 150 OH TYR A 661 -1.470 -7.255 0.193 1.00 0.00 O ATOM 0 H TYR A 661 1.441 -3.479 -3.918 1.00 0.00 H new ATOM 0 HA TYR A 661 -0.027 -4.005 -6.342 1.00 0.00 H new ATOM 0 HB2 TYR A 661 -0.053 -6.191 -5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 661 1.426 -5.596 -4.921 1.00 0.00 H new ATOM 0 HD1 TYR A 661 1.041 -4.568 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 661 -1.438 -7.480 -4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 661 0.250 -5.326 -0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 661 -2.224 -8.240 -2.115 1.00 0.00 H new ATOM 0 HH TYR A 661 -1.652 -6.478 0.762 1.00 0.00 H new ATOM 160 N TYR A 662 -1.579 -3.069 -3.652 1.00 0.00 N ATOM 161 CA TYR A 662 -2.874 -2.673 -3.126 1.00 0.00 C ATOM 162 C TYR A 662 -3.535 -1.674 -4.069 1.00 0.00 C ATOM 163 O TYR A 662 -4.761 -1.604 -4.157 1.00 0.00 O ATOM 164 CB TYR A 662 -2.721 -2.041 -1.742 1.00 0.00 C ATOM 165 CG TYR A 662 -2.631 -3.031 -0.602 1.00 0.00 C ATOM 166 CD1 TYR A 662 -3.275 -4.262 -0.658 1.00 0.00 C ATOM 167 CD2 TYR A 662 -1.902 -2.725 0.538 1.00 0.00 C ATOM 168 CE1 TYR A 662 -3.191 -5.157 0.391 1.00 0.00 C ATOM 169 CE2 TYR A 662 -1.813 -3.613 1.589 1.00 0.00 C ATOM 170 CZ TYR A 662 -2.460 -4.828 1.513 1.00 0.00 C ATOM 171 OH TYR A 662 -2.374 -5.716 2.560 1.00 0.00 O ATOM 0 H TYR A 662 -0.784 -2.779 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 662 -3.498 -3.563 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -1.825 -1.420 -1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -3.568 -1.379 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -3.849 -4.522 -1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -1.395 -1.774 0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -3.696 -6.110 0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -1.239 -3.358 2.468 1.00 0.00 H new ATOM 0 HH TYR A 662 -1.821 -5.331 3.271 1.00 0.00 H new ATOM 181 N ARG A 663 -2.709 -0.899 -4.770 1.00 0.00 N ATOM 182 CA ARG A 663 -3.209 0.103 -5.705 1.00 0.00 C ATOM 183 C ARG A 663 -3.855 -0.544 -6.929 1.00 0.00 C ATOM 184 O ARG A 663 -4.481 0.141 -7.737 1.00 0.00 O ATOM 185 CB ARG A 663 -2.074 1.027 -6.159 1.00 0.00 C ATOM 186 CG ARG A 663 -1.164 1.487 -5.032 1.00 0.00 C ATOM 187 CD ARG A 663 -1.880 2.437 -4.088 1.00 0.00 C ATOM 188 NE ARG A 663 -1.830 3.818 -4.560 1.00 0.00 N ATOM 189 CZ ARG A 663 -0.777 4.617 -4.404 1.00 0.00 C ATOM 190 NH1 ARG A 663 0.313 4.178 -3.789 1.00 0.00 N ATOM 191 NH2 ARG A 663 -0.814 5.860 -4.866 1.00 0.00 N ATOM 0 H ARG A 663 -1.692 -0.947 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 663 -3.967 0.685 -5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -1.475 0.509 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -2.504 1.902 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -0.807 0.621 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -0.287 1.981 -5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -2.920 2.128 -3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.427 2.375 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 663 -2.650 4.192 -5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 663 0.348 3.223 -3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 663 1.117 4.795 -3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -1.649 6.203 -5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -0.007 6.473 -4.747 1.00 0.00 H new ATOM 205 N SER A 664 -3.694 -1.858 -7.075 1.00 0.00 N ATOM 206 CA SER A 664 -4.261 -2.559 -8.222 1.00 0.00 C ATOM 207 C SER A 664 -5.276 -3.619 -7.807 1.00 0.00 C ATOM 208 O SER A 664 -6.140 -3.998 -8.598 1.00 0.00 O ATOM 209 CB SER A 664 -3.150 -3.198 -9.057 1.00 0.00 C ATOM 210 OG SER A 664 -2.037 -3.539 -8.250 1.00 0.00 O ATOM 0 H SER A 664 -3.182 -2.451 -6.422 1.00 0.00 H new ATOM 0 HA SER A 664 -4.788 -1.818 -8.823 1.00 0.00 H new ATOM 0 HB2 SER A 664 -3.531 -4.091 -9.552 1.00 0.00 H new ATOM 0 HB3 SER A 664 -2.837 -2.508 -9.841 1.00 0.00 H new ATOM 0 HG SER A 664 -2.350 -3.851 -7.375 1.00 0.00 H new ATOM 216 N VAL A 665 -5.180 -4.092 -6.572 1.00 0.00 N ATOM 217 CA VAL A 665 -6.108 -5.101 -6.078 1.00 0.00 C ATOM 218 C VAL A 665 -7.269 -4.444 -5.340 1.00 0.00 C ATOM 219 O VAL A 665 -7.798 -4.992 -4.374 1.00 0.00 O ATOM 220 CB VAL A 665 -5.407 -6.105 -5.142 1.00 0.00 C ATOM 221 CG1 VAL A 665 -4.900 -5.413 -3.884 1.00 0.00 C ATOM 222 CG2 VAL A 665 -6.344 -7.252 -4.790 1.00 0.00 C ATOM 0 H VAL A 665 -4.474 -3.796 -5.898 1.00 0.00 H new ATOM 0 HA VAL A 665 -6.488 -5.644 -6.943 1.00 0.00 H new ATOM 0 HB VAL A 665 -4.546 -6.517 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -4.409 -6.143 -3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -4.188 -4.635 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -5.739 -4.965 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 665 -5.832 -7.951 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -7.228 -6.859 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -6.644 -7.769 -5.701 1.00 0.00 H new ATOM 232 N GLY A 666 -7.655 -3.256 -5.801 1.00 0.00 N ATOM 233 CA GLY A 666 -8.742 -2.534 -5.172 1.00 0.00 C ATOM 234 C GLY A 666 -8.464 -2.254 -3.715 1.00 0.00 C ATOM 235 O GLY A 666 -9.387 -2.143 -2.907 1.00 0.00 O ATOM 0 H GLY A 666 -7.232 -2.783 -6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -8.905 -1.593 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -9.662 -3.112 -5.261 1.00 0.00 H new ATOM 239 N LYS A 667 -7.186 -2.135 -3.377 1.00 0.00 N ATOM 240 CA LYS A 667 -6.791 -1.858 -2.004 1.00 0.00 C ATOM 241 C LYS A 667 -6.009 -0.558 -1.911 1.00 0.00 C ATOM 242 O LYS A 667 -5.321 -0.302 -0.924 1.00 0.00 O ATOM 243 CB LYS A 667 -5.970 -3.017 -1.433 1.00 0.00 C ATOM 244 CG LYS A 667 -6.737 -3.872 -0.437 1.00 0.00 C ATOM 245 CD LYS A 667 -7.081 -5.236 -1.018 1.00 0.00 C ATOM 246 CE LYS A 667 -6.046 -6.281 -0.634 1.00 0.00 C ATOM 247 NZ LYS A 667 -6.437 -7.643 -1.092 1.00 0.00 N ATOM 0 H LYS A 667 -6.410 -2.226 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 667 -7.699 -1.751 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.628 -3.648 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.081 -2.616 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -6.142 -4.001 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -7.653 -3.358 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -8.063 -5.547 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -7.143 -5.165 -2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -5.082 -6.014 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -5.918 -6.285 0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -5.690 -8.322 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -7.327 -7.922 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -6.568 -7.638 -2.124 1.00 0.00 H new ATOM 261 N ILE A 668 -6.134 0.264 -2.941 1.00 0.00 N ATOM 262 CA ILE A 668 -5.451 1.551 -2.982 1.00 0.00 C ATOM 263 C ILE A 668 -5.721 2.345 -1.711 1.00 0.00 C ATOM 264 O ILE A 668 -4.866 3.093 -1.240 1.00 0.00 O ATOM 265 CB ILE A 668 -5.884 2.379 -4.211 1.00 0.00 C ATOM 266 CG1 ILE A 668 -5.167 3.738 -4.235 1.00 0.00 C ATOM 267 CG2 ILE A 668 -7.397 2.555 -4.228 1.00 0.00 C ATOM 268 CD1 ILE A 668 -5.820 4.807 -3.379 1.00 0.00 C ATOM 0 H ILE A 668 -6.704 0.063 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.383 1.349 -3.059 1.00 0.00 H new ATOM 0 HB ILE A 668 -5.596 1.836 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.139 3.599 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -5.121 4.092 -5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -7.685 3.141 -5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.877 1.577 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -7.713 3.073 -3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -5.249 5.733 -3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -6.839 4.979 -3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -5.842 4.478 -2.340 1.00 0.00 H new ATOM 280 N GLU A 669 -6.914 2.167 -1.154 1.00 0.00 N ATOM 281 CA GLU A 669 -7.284 2.862 0.072 1.00 0.00 C ATOM 282 C GLU A 669 -6.562 2.247 1.262 1.00 0.00 C ATOM 283 O GLU A 669 -5.869 2.940 2.007 1.00 0.00 O ATOM 284 CB GLU A 669 -8.800 2.812 0.283 1.00 0.00 C ATOM 285 CG GLU A 669 -9.475 4.168 0.159 1.00 0.00 C ATOM 286 CD GLU A 669 -10.136 4.367 -1.191 1.00 0.00 C ATOM 287 OE1 GLU A 669 -10.577 3.364 -1.791 1.00 0.00 O ATOM 288 OE2 GLU A 669 -10.211 5.527 -1.649 1.00 0.00 O ATOM 0 H GLU A 669 -7.636 1.552 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 669 -6.985 3.906 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.238 2.129 -0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.008 2.401 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -10.223 4.271 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -8.736 4.954 0.317 1.00 0.00 H new ATOM 295 N GLU A 670 -6.710 0.938 1.426 1.00 0.00 N ATOM 296 CA GLU A 670 -6.051 0.234 2.515 1.00 0.00 C ATOM 297 C GLU A 670 -4.537 0.345 2.370 1.00 0.00 C ATOM 298 O GLU A 670 -3.799 0.212 3.347 1.00 0.00 O ATOM 299 CB GLU A 670 -6.475 -1.236 2.539 1.00 0.00 C ATOM 300 CG GLU A 670 -6.875 -1.731 3.919 1.00 0.00 C ATOM 301 CD GLU A 670 -8.371 -1.651 4.155 1.00 0.00 C ATOM 302 OE1 GLU A 670 -8.956 -0.578 3.899 1.00 0.00 O ATOM 303 OE2 GLU A 670 -8.957 -2.663 4.596 1.00 0.00 O ATOM 0 H GLU A 670 -7.279 0.346 0.821 1.00 0.00 H new ATOM 0 HA GLU A 670 -6.350 0.694 3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.312 -1.375 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.654 -1.848 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.546 -2.763 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -6.359 -1.141 4.676 1.00 0.00 H new ATOM 310 N ALA A 671 -4.080 0.600 1.145 1.00 0.00 N ATOM 311 CA ALA A 671 -2.659 0.741 0.883 1.00 0.00 C ATOM 312 C ALA A 671 -2.099 1.951 1.612 1.00 0.00 C ATOM 313 O ALA A 671 -0.957 1.937 2.064 1.00 0.00 O ATOM 314 CB ALA A 671 -2.402 0.859 -0.612 1.00 0.00 C ATOM 0 H ALA A 671 -4.675 0.712 0.324 1.00 0.00 H new ATOM 0 HA ALA A 671 -2.152 -0.150 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -1.332 0.964 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -2.768 -0.036 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -2.922 1.734 -1.003 1.00 0.00 H new ATOM 320 N GLU A 672 -2.910 3.002 1.732 1.00 0.00 N ATOM 321 CA GLU A 672 -2.477 4.212 2.420 1.00 0.00 C ATOM 322 C GLU A 672 -1.957 3.876 3.811 1.00 0.00 C ATOM 323 O GLU A 672 -1.030 4.514 4.310 1.00 0.00 O ATOM 324 CB GLU A 672 -3.626 5.219 2.512 1.00 0.00 C ATOM 325 CG GLU A 672 -3.663 6.208 1.358 1.00 0.00 C ATOM 326 CD GLU A 672 -2.896 7.480 1.656 1.00 0.00 C ATOM 327 OE1 GLU A 672 -2.008 7.446 2.534 1.00 0.00 O ATOM 328 OE2 GLU A 672 -3.183 8.512 1.012 1.00 0.00 O ATOM 0 H GLU A 672 -3.861 3.038 1.365 1.00 0.00 H new ATOM 0 HA GLU A 672 -1.668 4.662 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.571 4.677 2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -3.541 5.770 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -3.247 5.737 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -4.700 6.458 1.131 1.00 0.00 H new ATOM 335 N ALA A 673 -2.548 2.857 4.424 1.00 0.00 N ATOM 336 CA ALA A 673 -2.131 2.423 5.749 1.00 0.00 C ATOM 337 C ALA A 673 -0.733 1.847 5.696 1.00 0.00 C ATOM 338 O ALA A 673 0.218 2.438 6.205 1.00 0.00 O ATOM 339 CB ALA A 673 -3.091 1.382 6.290 1.00 0.00 C ATOM 0 H ALA A 673 -3.316 2.318 4.024 1.00 0.00 H new ATOM 0 HA ALA A 673 -2.136 3.289 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -2.766 1.067 7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -4.092 1.809 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -3.107 0.520 5.623 1.00 0.00 H new ATOM 345 N ILE A 674 -0.614 0.692 5.059 1.00 0.00 N ATOM 346 CA ILE A 674 0.669 0.039 4.919 1.00 0.00 C ATOM 347 C ILE A 674 1.655 0.979 4.235 1.00 0.00 C ATOM 348 O ILE A 674 2.862 0.846 4.396 1.00 0.00 O ATOM 349 CB ILE A 674 0.536 -1.280 4.125 1.00 0.00 C ATOM 350 CG1 ILE A 674 1.917 -1.862 3.788 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.295 -1.059 2.867 1.00 0.00 C ATOM 352 CD1 ILE A 674 2.473 -1.392 2.461 1.00 0.00 C ATOM 0 H ILE A 674 -1.393 0.191 4.632 1.00 0.00 H new ATOM 0 HA ILE A 674 1.043 -0.207 5.913 1.00 0.00 H new ATOM 0 HB ILE A 674 0.019 -2.009 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 674 2.617 -1.594 4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 674 1.849 -2.950 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -0.380 -1.997 2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -1.289 -0.709 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 674 0.189 -0.313 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 674 3.450 -1.846 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 674 1.795 -1.684 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 674 2.575 -0.307 2.473 1.00 0.00 H new ATOM 364 N GLU A 675 1.131 1.947 3.485 1.00 0.00 N ATOM 365 CA GLU A 675 1.973 2.911 2.800 1.00 0.00 C ATOM 366 C GLU A 675 2.693 3.806 3.804 1.00 0.00 C ATOM 367 O GLU A 675 3.768 4.327 3.519 1.00 0.00 O ATOM 368 CB GLU A 675 1.138 3.766 1.843 1.00 0.00 C ATOM 369 CG GLU A 675 1.949 4.809 1.092 1.00 0.00 C ATOM 370 CD GLU A 675 1.130 5.547 0.051 1.00 0.00 C ATOM 371 OE1 GLU A 675 0.192 6.274 0.440 1.00 0.00 O ATOM 372 OE2 GLU A 675 1.426 5.396 -1.153 1.00 0.00 O ATOM 0 H GLU A 675 0.130 2.080 3.340 1.00 0.00 H new ATOM 0 HA GLU A 675 2.718 2.362 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 675 0.645 3.113 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 675 0.352 4.267 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 675 2.358 5.527 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 675 2.796 4.324 0.606 1.00 0.00 H new ATOM 379 N LYS A 676 2.095 3.984 4.982 1.00 0.00 N ATOM 380 CA LYS A 676 2.700 4.825 6.011 1.00 0.00 C ATOM 381 C LYS A 676 3.973 4.202 6.562 1.00 0.00 C ATOM 382 O LYS A 676 4.827 4.911 7.096 1.00 0.00 O ATOM 383 CB LYS A 676 1.706 5.094 7.143 1.00 0.00 C ATOM 384 CG LYS A 676 0.749 6.239 6.852 1.00 0.00 C ATOM 385 CD LYS A 676 0.430 7.030 8.110 1.00 0.00 C ATOM 386 CE LYS A 676 -0.468 8.219 7.807 1.00 0.00 C ATOM 387 NZ LYS A 676 0.309 9.481 7.664 1.00 0.00 N ATOM 0 H LYS A 676 1.204 3.563 5.244 1.00 0.00 H new ATOM 0 HA LYS A 676 2.966 5.774 5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 676 1.129 4.189 7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 676 2.259 5.316 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 676 1.188 6.901 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -0.173 5.845 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -0.058 6.380 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 676 1.356 7.379 8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -1.024 8.029 6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -1.201 8.333 8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -0.340 10.267 7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 0.820 9.676 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 0.991 9.382 6.885 1.00 0.00 H new ATOM 401 N THR A 677 4.134 2.894 6.400 1.00 0.00 N ATOM 402 CA THR A 677 5.354 2.250 6.860 1.00 0.00 C ATOM 403 C THR A 677 6.421 2.424 5.791 1.00 0.00 C ATOM 404 O THR A 677 7.612 2.249 6.045 1.00 0.00 O ATOM 405 CB THR A 677 5.137 0.769 7.177 1.00 0.00 C ATOM 406 OG1 THR A 677 3.791 0.396 6.936 1.00 0.00 O ATOM 407 CG2 THR A 677 5.453 0.419 8.615 1.00 0.00 C ATOM 0 H THR A 677 3.452 2.273 5.964 1.00 0.00 H new ATOM 0 HA THR A 677 5.673 2.720 7.790 1.00 0.00 H new ATOM 0 HB THR A 677 5.821 0.228 6.523 1.00 0.00 H new ATOM 0 HG1 THR A 677 3.704 -0.578 7.003 1.00 0.00 H new ATOM 0 HG21 THR A 677 5.279 -0.645 8.777 1.00 0.00 H new ATOM 0 HG22 THR A 677 6.497 0.653 8.825 1.00 0.00 H new ATOM 0 HG23 THR A 677 4.811 0.997 9.280 1.00 0.00 H new ATOM 415 N LEU A 678 5.974 2.809 4.592 1.00 0.00 N ATOM 416 CA LEU A 678 6.872 3.054 3.482 1.00 0.00 C ATOM 417 C LEU A 678 7.913 4.072 3.899 1.00 0.00 C ATOM 418 O LEU A 678 9.086 3.966 3.541 1.00 0.00 O ATOM 419 CB LEU A 678 6.093 3.570 2.272 1.00 0.00 C ATOM 420 CG LEU A 678 6.910 3.737 0.992 1.00 0.00 C ATOM 421 CD1 LEU A 678 7.823 2.540 0.782 1.00 0.00 C ATOM 422 CD2 LEU A 678 5.985 3.926 -0.199 1.00 0.00 C ATOM 0 H LEU A 678 4.988 2.956 4.374 1.00 0.00 H new ATOM 0 HA LEU A 678 7.363 2.121 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 678 5.270 2.884 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 678 5.650 4.532 2.529 1.00 0.00 H new ATOM 0 HG LEU A 678 7.534 4.625 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 678 8.397 2.677 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 678 8.505 2.450 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 678 7.222 1.634 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 678 6.579 4.044 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 678 5.338 3.054 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 678 5.374 4.816 -0.047 1.00 0.00 H new ATOM 434 N LYS A 679 7.476 5.049 4.689 1.00 0.00 N ATOM 435 CA LYS A 679 8.379 6.075 5.187 1.00 0.00 C ATOM 436 C LYS A 679 9.179 5.530 6.370 1.00 0.00 C ATOM 437 O LYS A 679 9.212 6.131 7.443 1.00 0.00 O ATOM 438 CB LYS A 679 7.592 7.317 5.603 1.00 0.00 C ATOM 439 CG LYS A 679 6.914 8.026 4.443 1.00 0.00 C ATOM 440 CD LYS A 679 5.511 7.491 4.208 1.00 0.00 C ATOM 441 CE LYS A 679 4.677 8.456 3.380 1.00 0.00 C ATOM 442 NZ LYS A 679 3.220 8.178 3.506 1.00 0.00 N ATOM 0 H LYS A 679 6.508 5.149 4.995 1.00 0.00 H new ATOM 0 HA LYS A 679 9.070 6.356 4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 679 6.836 7.030 6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 679 8.267 8.014 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 679 6.867 9.096 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 679 7.509 7.899 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 679 5.568 6.529 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 679 5.022 7.316 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 679 4.881 9.478 3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 679 4.971 8.384 2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 2.686 8.857 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 3.021 7.211 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 2.934 8.271 4.501 1.00 0.00 H new ATOM 456 N ASN A 680 9.814 4.377 6.161 1.00 0.00 N ATOM 457 CA ASN A 680 10.605 3.729 7.200 1.00 0.00 C ATOM 458 C ASN A 680 11.914 4.477 7.438 1.00 0.00 C ATOM 459 O ASN A 680 12.773 4.543 6.559 1.00 0.00 O ATOM 460 CB ASN A 680 10.887 2.269 6.813 1.00 0.00 C ATOM 461 CG ASN A 680 11.854 2.151 5.650 1.00 0.00 C ATOM 462 OD1 ASN A 680 13.061 2.004 5.844 1.00 0.00 O ATOM 463 ND2 ASN A 680 11.328 2.217 4.433 1.00 0.00 N ATOM 0 H ASN A 680 9.794 3.872 5.275 1.00 0.00 H new ATOM 0 HA ASN A 680 10.033 3.747 8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 680 11.295 1.741 7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 680 9.949 1.778 6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 680 11.930 2.145 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 680 10.322 2.339 4.318 1.00 0.00 H new ATOM 470 N LYS A 681 12.061 5.039 8.634 1.00 0.00 N ATOM 471 CA LYS A 681 13.266 5.781 8.989 1.00 0.00 C ATOM 472 C LYS A 681 13.180 6.309 10.418 1.00 0.00 C ATOM 473 O LYS A 681 13.893 5.842 11.306 1.00 0.00 O ATOM 474 CB LYS A 681 13.487 6.942 8.016 1.00 0.00 C ATOM 475 CG LYS A 681 14.953 7.226 7.732 1.00 0.00 C ATOM 476 CD LYS A 681 15.271 8.711 7.835 1.00 0.00 C ATOM 477 CE LYS A 681 15.578 9.313 6.473 1.00 0.00 C ATOM 478 NZ LYS A 681 14.404 10.029 5.903 1.00 0.00 N ATOM 0 H LYS A 681 11.360 4.995 9.374 1.00 0.00 H new ATOM 0 HA LYS A 681 14.112 5.097 8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 681 12.980 6.720 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 681 13.024 7.840 8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 681 15.574 6.672 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 681 15.206 6.868 6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 681 14.426 9.234 8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 681 16.124 8.856 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 681 16.416 10.004 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 681 15.888 8.523 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 14.656 10.424 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 13.612 9.364 5.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 14.123 10.799 6.543 1.00 0.00 H new ATOM 492 N GLN A 682 12.303 7.285 10.633 1.00 0.00 N ATOM 493 CA GLN A 682 12.123 7.877 11.956 1.00 0.00 C ATOM 494 C GLN A 682 11.097 9.006 11.910 1.00 0.00 C ATOM 495 O GLN A 682 11.446 10.167 11.700 1.00 0.00 O ATOM 496 CB GLN A 682 13.458 8.405 12.491 1.00 0.00 C ATOM 497 CG GLN A 682 13.740 8.000 13.928 1.00 0.00 C ATOM 498 CD GLN A 682 14.908 8.757 14.529 1.00 0.00 C ATOM 499 OE1 GLN A 682 15.219 9.874 14.114 1.00 0.00 O ATOM 500 NE2 GLN A 682 15.565 8.150 15.510 1.00 0.00 N ATOM 0 H GLN A 682 11.705 7.683 9.909 1.00 0.00 H new ATOM 0 HA GLN A 682 11.755 7.101 12.627 1.00 0.00 H new ATOM 0 HB2 GLN A 682 14.265 8.041 11.855 1.00 0.00 H new ATOM 0 HB3 GLN A 682 13.463 9.493 12.421 1.00 0.00 H new ATOM 0 HG2 GLN A 682 12.850 8.174 14.532 1.00 0.00 H new ATOM 0 HG3 GLN A 682 13.947 6.930 13.966 1.00 0.00 H new ATOM 0 HE21 GLN A 682 15.273 7.224 15.823 1.00 0.00 H new ATOM 0 HE22 GLN A 682 16.362 8.610 15.951 1.00 0.00 H new ATOM 509 N ASN A 683 9.831 8.656 12.109 1.00 0.00 N ATOM 510 CA ASN A 683 8.755 9.641 12.090 1.00 0.00 C ATOM 511 C ASN A 683 8.646 10.353 13.434 1.00 0.00 C ATOM 512 O ASN A 683 8.502 11.593 13.436 1.00 0.00 O ATOM 513 CB ASN A 683 7.425 8.967 11.748 1.00 0.00 C ATOM 514 CG ASN A 683 7.473 8.232 10.422 1.00 0.00 C ATOM 515 OD1 ASN A 683 8.078 7.166 10.313 1.00 0.00 O ATOM 516 ND2 ASN A 683 6.835 8.801 9.407 1.00 0.00 N ATOM 517 OXT ASN A 683 8.706 9.664 14.475 1.00 0.00 O ATOM 0 H ASN A 683 9.525 7.699 12.285 1.00 0.00 H new ATOM 0 HA ASN A 683 8.987 10.381 11.324 1.00 0.00 H new ATOM 0 HB2 ASN A 683 7.162 8.265 12.540 1.00 0.00 H new ATOM 0 HB3 ASN A 683 6.637 9.720 11.715 1.00 0.00 H new ATOM 0 HD21 ASN A 683 6.833 8.353 8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 683 6.346 9.686 9.543 1.00 0.00 H new TER 524 ASN A 683