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 47:sc= 1.36 USER MOD Set 1.2: A 662 TYR OH : rot 180:sc= 0.0703 USER MOD Set 2.1: A 654 TYR OH : rot -20:sc= 0.132 USER MOD Set 2.2: A 680 ASN : amide:sc= -0.403 X(o=-0.27,f=-0.48) USER MOD Single : A 655 SER OG : rot -54:sc= -5.48! USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=-0.012) 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 677 THR OG1 : rot 73:sc= -0.717 USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 681 LYS NZ :NH3+ 147:sc= -1.01 (180deg=-2.35!) USER MOD Single : A 682 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 683 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 17.316 3.361 0.856 1.00 0.00 N ATOM 2 CA GLY A 651 16.455 2.898 1.980 1.00 0.00 C ATOM 3 C GLY A 651 16.084 1.433 1.858 1.00 0.00 C ATOM 4 O GLY A 651 16.498 0.756 0.917 1.00 0.00 O ATOM 0 HA2 GLY A 651 16.975 3.061 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 651 15.546 3.499 2.009 1.00 0.00 H new ATOM 9 N ALA A 652 15.299 0.942 2.813 1.00 0.00 N ATOM 10 CA ALA A 652 14.871 -0.450 2.809 1.00 0.00 C ATOM 11 C ALA A 652 13.701 -0.662 1.858 1.00 0.00 C ATOM 12 O ALA A 652 13.723 -1.560 1.016 1.00 0.00 O ATOM 13 CB ALA A 652 14.496 -0.892 4.216 1.00 0.00 C ATOM 0 H ALA A 652 14.947 1.489 3.599 1.00 0.00 H new ATOM 0 HA ALA A 652 15.705 -1.058 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 652 14.178 -1.934 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 652 15.360 -0.788 4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 652 13.681 -0.271 4.587 1.00 0.00 H new ATOM 19 N ASP A 653 12.681 0.173 2.001 1.00 0.00 N ATOM 20 CA ASP A 653 11.496 0.086 1.159 1.00 0.00 C ATOM 21 C ASP A 653 10.811 -1.266 1.324 1.00 0.00 C ATOM 22 O ASP A 653 11.228 -2.262 0.732 1.00 0.00 O ATOM 23 CB ASP A 653 11.868 0.307 -0.309 1.00 0.00 C ATOM 24 CG ASP A 653 11.714 1.755 -0.732 1.00 0.00 C ATOM 25 OD1 ASP A 653 10.877 2.464 -0.133 1.00 0.00 O ATOM 26 OD2 ASP A 653 12.432 2.182 -1.661 1.00 0.00 O ATOM 0 H ASP A 653 12.651 0.920 2.694 1.00 0.00 H new ATOM 0 HA ASP A 653 10.802 0.866 1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 653 12.899 -0.009 -0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 653 11.239 -0.322 -0.939 1.00 0.00 H new ATOM 31 N TYR A 654 9.761 -1.293 2.137 1.00 0.00 N ATOM 32 CA TYR A 654 9.021 -2.526 2.386 1.00 0.00 C ATOM 33 C TYR A 654 7.527 -2.298 2.299 1.00 0.00 C ATOM 34 O TYR A 654 6.798 -3.091 1.704 1.00 0.00 O ATOM 35 CB TYR A 654 9.370 -3.090 3.761 1.00 0.00 C ATOM 36 CG TYR A 654 9.495 -2.031 4.835 1.00 0.00 C ATOM 37 CD1 TYR A 654 10.622 -1.225 4.908 1.00 0.00 C ATOM 38 CD2 TYR A 654 8.496 -1.847 5.787 1.00 0.00 C ATOM 39 CE1 TYR A 654 10.754 -0.269 5.895 1.00 0.00 C ATOM 40 CE2 TYR A 654 8.619 -0.888 6.774 1.00 0.00 C ATOM 41 CZ TYR A 654 9.751 -0.105 6.826 1.00 0.00 C ATOM 42 OH TYR A 654 9.881 0.848 7.810 1.00 0.00 O ATOM 0 H TYR A 654 9.403 -0.477 2.634 1.00 0.00 H new ATOM 0 HA TYR A 654 9.308 -3.242 1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 654 8.603 -3.806 4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 654 10.309 -3.639 3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 654 11.410 -1.348 4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 654 7.610 -2.464 5.753 1.00 0.00 H new ATOM 0 HE1 TYR A 654 11.639 0.348 5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 654 7.832 -0.753 7.501 1.00 0.00 H new ATOM 0 HH TYR A 654 10.826 1.086 7.912 1.00 0.00 H new ATOM 52 N SER A 655 7.074 -1.208 2.893 1.00 0.00 N ATOM 53 CA SER A 655 5.664 -0.872 2.878 1.00 0.00 C ATOM 54 C SER A 655 5.279 -0.224 1.556 1.00 0.00 C ATOM 55 O SER A 655 4.296 0.510 1.464 1.00 0.00 O ATOM 56 CB SER A 655 5.341 0.045 4.048 1.00 0.00 C ATOM 57 OG SER A 655 6.438 0.113 4.938 1.00 0.00 O ATOM 0 H SER A 655 7.663 -0.541 3.391 1.00 0.00 H new ATOM 0 HA SER A 655 5.081 -1.787 2.981 1.00 0.00 H new ATOM 0 HB2 SER A 655 5.100 1.043 3.681 1.00 0.00 H new ATOM 0 HB3 SER A 655 4.460 -0.323 4.574 1.00 0.00 H new ATOM 0 HG SER A 655 6.697 -0.793 5.208 1.00 0.00 H new ATOM 63 N ALA A 656 6.058 -0.528 0.529 1.00 0.00 N ATOM 64 CA ALA A 656 5.816 -0.021 -0.803 1.00 0.00 C ATOM 65 C ALA A 656 5.376 -1.157 -1.694 1.00 0.00 C ATOM 66 O ALA A 656 4.495 -0.999 -2.539 1.00 0.00 O ATOM 67 CB ALA A 656 7.068 0.619 -1.376 1.00 0.00 C ATOM 0 H ALA A 656 6.875 -1.134 0.601 1.00 0.00 H new ATOM 0 HA ALA A 656 5.036 0.738 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 656 6.860 0.992 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 656 7.378 1.446 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 656 7.866 -0.122 -1.423 1.00 0.00 H new ATOM 73 N GLN A 657 6.004 -2.311 -1.502 1.00 0.00 N ATOM 74 CA GLN A 657 5.673 -3.473 -2.299 1.00 0.00 C ATOM 75 C GLN A 657 4.273 -3.976 -1.966 1.00 0.00 C ATOM 76 O GLN A 657 3.637 -4.647 -2.778 1.00 0.00 O ATOM 77 CB GLN A 657 6.705 -4.584 -2.097 1.00 0.00 C ATOM 78 CG GLN A 657 7.252 -5.150 -3.397 1.00 0.00 C ATOM 79 CD GLN A 657 8.726 -5.489 -3.311 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.570 -4.606 -3.152 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.046 -6.774 -3.416 1.00 0.00 N ATOM 0 H GLN A 657 6.736 -2.461 -0.808 1.00 0.00 H new ATOM 0 HA GLN A 657 5.691 -3.178 -3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.532 -4.196 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 657 6.250 -5.391 -1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 657 6.692 -6.047 -3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.095 -4.427 -4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 657 8.314 -7.473 -3.547 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.023 -7.062 -3.366 1.00 0.00 H new ATOM 90 N TRP A 658 3.785 -3.629 -0.777 1.00 0.00 N ATOM 91 CA TRP A 658 2.451 -4.030 -0.366 1.00 0.00 C ATOM 92 C TRP A 658 1.473 -2.928 -0.711 1.00 0.00 C ATOM 93 O TRP A 658 0.340 -3.179 -1.116 1.00 0.00 O ATOM 94 CB TRP A 658 2.384 -4.330 1.135 1.00 0.00 C ATOM 95 CG TRP A 658 2.979 -5.651 1.503 1.00 0.00 C ATOM 96 CD1 TRP A 658 2.343 -6.724 2.061 1.00 0.00 C ATOM 97 CD2 TRP A 658 4.338 -6.030 1.337 1.00 0.00 C ATOM 98 NE1 TRP A 658 3.239 -7.751 2.251 1.00 0.00 N ATOM 99 CE2 TRP A 658 4.474 -7.346 1.811 1.00 0.00 C ATOM 100 CE3 TRP A 658 5.452 -5.375 0.829 1.00 0.00 C ATOM 101 CZ2 TRP A 658 5.692 -8.020 1.792 1.00 0.00 C ATOM 102 CZ3 TRP A 658 6.664 -6.040 0.805 1.00 0.00 C ATOM 103 CH2 TRP A 658 6.775 -7.352 1.285 1.00 0.00 C ATOM 0 H TRP A 658 4.293 -3.074 -0.088 1.00 0.00 H new ATOM 0 HA TRP A 658 2.192 -4.946 -0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 658 2.904 -3.541 1.679 1.00 0.00 H new ATOM 0 HB3 TRP A 658 1.343 -4.306 1.457 1.00 0.00 H new ATOM 0 HD1 TRP A 658 1.294 -6.761 2.315 1.00 0.00 H new ATOM 0 HE1 TRP A 658 3.021 -8.663 2.653 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.373 -4.363 0.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 5.780 -9.031 2.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 7.537 -5.541 0.411 1.00 0.00 H new ATOM 0 HH2 TRP A 658 7.735 -7.847 1.255 1.00 0.00 H new ATOM 114 N ALA A 659 1.934 -1.697 -0.568 1.00 0.00 N ATOM 115 CA ALA A 659 1.118 -0.547 -0.884 1.00 0.00 C ATOM 116 C ALA A 659 1.068 -0.337 -2.393 1.00 0.00 C ATOM 117 O ALA A 659 0.311 0.501 -2.885 1.00 0.00 O ATOM 118 CB ALA A 659 1.650 0.691 -0.176 1.00 0.00 C ATOM 0 H ALA A 659 2.871 -1.473 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 659 0.102 -0.726 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 659 1.025 1.549 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 659 1.633 0.529 0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 659 2.674 0.883 -0.498 1.00 0.00 H new ATOM 124 N GLU A 660 1.874 -1.109 -3.128 1.00 0.00 N ATOM 125 CA GLU A 660 1.905 -0.999 -4.577 1.00 0.00 C ATOM 126 C GLU A 660 0.896 -1.934 -5.219 1.00 0.00 C ATOM 127 O GLU A 660 0.143 -1.533 -6.106 1.00 0.00 O ATOM 128 CB GLU A 660 3.308 -1.285 -5.112 1.00 0.00 C ATOM 129 CG GLU A 660 4.216 -0.065 -5.122 1.00 0.00 C ATOM 130 CD GLU A 660 4.353 0.546 -6.503 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.149 0.019 -7.309 1.00 0.00 O ATOM 132 OE2 GLU A 660 3.666 1.552 -6.778 1.00 0.00 O ATOM 0 H GLU A 660 2.506 -1.810 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 660 1.635 0.024 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.768 -2.065 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.228 -1.677 -6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 660 3.821 0.683 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 660 5.202 -0.347 -4.754 1.00 0.00 H new ATOM 139 N TYR A 661 0.868 -3.175 -4.762 1.00 0.00 N ATOM 140 CA TYR A 661 -0.074 -4.143 -5.300 1.00 0.00 C ATOM 141 C TYR A 661 -1.480 -3.843 -4.790 1.00 0.00 C ATOM 142 O TYR A 661 -2.472 -4.231 -5.408 1.00 0.00 O ATOM 143 CB TYR A 661 0.357 -5.572 -4.951 1.00 0.00 C ATOM 144 CG TYR A 661 -0.068 -6.034 -3.577 1.00 0.00 C ATOM 145 CD1 TYR A 661 0.456 -5.450 -2.430 1.00 0.00 C ATOM 146 CD2 TYR A 661 -0.993 -7.059 -3.431 1.00 0.00 C ATOM 147 CE1 TYR A 661 0.063 -5.882 -1.173 1.00 0.00 C ATOM 148 CE2 TYR A 661 -1.388 -7.493 -2.180 1.00 0.00 C ATOM 149 CZ TYR A 661 -0.857 -6.902 -1.056 1.00 0.00 C ATOM 150 OH TYR A 661 -1.244 -7.333 0.192 1.00 0.00 O ATOM 0 H TYR A 661 1.479 -3.533 -4.028 1.00 0.00 H new ATOM 0 HA TYR A 661 -0.083 -4.062 -6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 661 -0.055 -6.255 -5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 661 1.442 -5.639 -5.024 1.00 0.00 H new ATOM 0 HD1 TYR A 661 1.177 -4.651 -2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 661 -1.411 -7.525 -4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 661 0.476 -5.421 -0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 661 -2.109 -8.291 -2.085 1.00 0.00 H new ATOM 0 HH TYR A 661 -1.452 -6.559 0.756 1.00 0.00 H new ATOM 160 N TYR A 662 -1.558 -3.124 -3.671 1.00 0.00 N ATOM 161 CA TYR A 662 -2.841 -2.743 -3.101 1.00 0.00 C ATOM 162 C TYR A 662 -3.546 -1.765 -4.031 1.00 0.00 C ATOM 163 O TYR A 662 -4.773 -1.748 -4.119 1.00 0.00 O ATOM 164 CB TYR A 662 -2.647 -2.085 -1.735 1.00 0.00 C ATOM 165 CG TYR A 662 -2.459 -3.053 -0.587 1.00 0.00 C ATOM 166 CD1 TYR A 662 -3.064 -4.304 -0.584 1.00 0.00 C ATOM 167 CD2 TYR A 662 -1.671 -2.703 0.499 1.00 0.00 C ATOM 168 CE1 TYR A 662 -2.886 -5.177 0.472 1.00 0.00 C ATOM 169 CE2 TYR A 662 -1.488 -3.569 1.556 1.00 0.00 C ATOM 170 CZ TYR A 662 -2.096 -4.805 1.539 1.00 0.00 C ATOM 171 OH TYR A 662 -1.915 -5.672 2.592 1.00 0.00 O ATOM 0 H TYR A 662 -0.748 -2.796 -3.145 1.00 0.00 H new ATOM 0 HA TYR A 662 -3.446 -3.642 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -1.779 -1.428 -1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -3.512 -1.456 -1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -3.682 -4.598 -1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -1.192 -1.735 0.517 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -3.363 -6.146 0.462 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -0.871 -3.280 2.394 1.00 0.00 H new ATOM 0 HH TYR A 662 -1.331 -5.257 3.260 1.00 0.00 H new ATOM 181 N ARG A 663 -2.753 -0.949 -4.719 1.00 0.00 N ATOM 182 CA ARG A 663 -3.290 0.041 -5.643 1.00 0.00 C ATOM 183 C ARG A 663 -3.847 -0.612 -6.907 1.00 0.00 C ATOM 184 O ARG A 663 -4.410 0.071 -7.763 1.00 0.00 O ATOM 185 CB ARG A 663 -2.206 1.056 -6.016 1.00 0.00 C ATOM 186 CG ARG A 663 -2.376 2.403 -5.334 1.00 0.00 C ATOM 187 CD ARG A 663 -1.365 2.595 -4.215 1.00 0.00 C ATOM 188 NE ARG A 663 0.001 2.697 -4.723 1.00 0.00 N ATOM 189 CZ ARG A 663 0.469 3.749 -5.389 1.00 0.00 C ATOM 190 NH1 ARG A 663 -0.316 4.792 -5.631 1.00 0.00 N ATOM 191 NH2 ARG A 663 1.724 3.760 -5.814 1.00 0.00 N ATOM 0 H ARG A 663 -1.735 -0.955 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 663 -4.110 0.553 -5.140 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -1.230 0.646 -5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -2.212 1.201 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -2.262 3.200 -6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.386 2.483 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -1.612 3.497 -3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.431 1.759 -3.519 1.00 0.00 H new ATOM 0 HE ARG A 663 0.634 1.914 -4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -1.283 4.789 -5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 663 0.048 5.596 -6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 663 2.332 2.962 -5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 663 2.082 4.567 -6.325 1.00 0.00 H new ATOM 205 N SER A 664 -3.692 -1.929 -7.030 1.00 0.00 N ATOM 206 CA SER A 664 -4.189 -2.634 -8.204 1.00 0.00 C ATOM 207 C SER A 664 -4.998 -3.871 -7.825 1.00 0.00 C ATOM 208 O SER A 664 -5.225 -4.752 -8.654 1.00 0.00 O ATOM 209 CB SER A 664 -3.030 -3.025 -9.124 1.00 0.00 C ATOM 210 OG SER A 664 -3.325 -2.716 -10.475 1.00 0.00 O ATOM 0 H SER A 664 -3.232 -2.521 -6.339 1.00 0.00 H new ATOM 0 HA SER A 664 -4.854 -1.953 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 664 -2.125 -2.501 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 664 -2.829 -4.092 -9.027 1.00 0.00 H new ATOM 0 HG SER A 664 -2.569 -2.974 -11.042 1.00 0.00 H new ATOM 216 N VAL A 665 -5.450 -3.919 -6.582 1.00 0.00 N ATOM 217 CA VAL A 665 -6.255 -5.034 -6.104 1.00 0.00 C ATOM 218 C VAL A 665 -7.418 -4.512 -5.274 1.00 0.00 C ATOM 219 O VAL A 665 -7.845 -5.147 -4.309 1.00 0.00 O ATOM 220 CB VAL A 665 -5.421 -6.022 -5.264 1.00 0.00 C ATOM 221 CG1 VAL A 665 -4.903 -5.354 -3.999 1.00 0.00 C ATOM 222 CG2 VAL A 665 -6.240 -7.259 -4.927 1.00 0.00 C ATOM 0 H VAL A 665 -5.273 -3.197 -5.883 1.00 0.00 H new ATOM 0 HA VAL A 665 -6.632 -5.569 -6.976 1.00 0.00 H new ATOM 0 HB VAL A 665 -4.560 -6.333 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -4.318 -6.071 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -4.275 -4.505 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -5.745 -5.008 -3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 665 -5.635 -7.945 -4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -7.122 -6.967 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -6.550 -7.752 -5.848 1.00 0.00 H new ATOM 232 N GLY A 666 -7.911 -3.336 -5.649 1.00 0.00 N ATOM 233 CA GLY A 666 -9.004 -2.726 -4.922 1.00 0.00 C ATOM 234 C GLY A 666 -8.624 -2.436 -3.491 1.00 0.00 C ATOM 235 O GLY A 666 -9.483 -2.375 -2.611 1.00 0.00 O ATOM 0 H GLY A 666 -7.571 -2.796 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -9.299 -1.800 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -9.870 -3.388 -4.942 1.00 0.00 H new ATOM 239 N LYS A 667 -7.328 -2.251 -3.255 1.00 0.00 N ATOM 240 CA LYS A 667 -6.839 -1.960 -1.917 1.00 0.00 C ATOM 241 C LYS A 667 -6.045 -0.662 -1.892 1.00 0.00 C ATOM 242 O LYS A 667 -5.303 -0.389 -0.950 1.00 0.00 O ATOM 243 CB LYS A 667 -5.991 -3.119 -1.389 1.00 0.00 C ATOM 244 CG LYS A 667 -6.375 -3.563 0.014 1.00 0.00 C ATOM 245 CD LYS A 667 -7.368 -4.714 -0.017 1.00 0.00 C ATOM 246 CE LYS A 667 -7.722 -5.181 1.385 1.00 0.00 C ATOM 247 NZ LYS A 667 -8.004 -6.642 1.429 1.00 0.00 N ATOM 0 H LYS A 667 -6.603 -2.298 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 667 -7.703 -1.838 -1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -6.085 -3.966 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.942 -2.822 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.481 -3.867 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -6.808 -2.723 0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -8.273 -4.401 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -6.946 -5.545 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -6.901 -4.949 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -8.594 -4.632 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -8.241 -6.921 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -8.804 -6.860 0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -7.164 -7.167 1.114 1.00 0.00 H new ATOM 261 N ILE A 668 -6.227 0.141 -2.929 1.00 0.00 N ATOM 262 CA ILE A 668 -5.548 1.427 -3.034 1.00 0.00 C ATOM 263 C ILE A 668 -5.764 2.251 -1.771 1.00 0.00 C ATOM 264 O ILE A 668 -4.875 2.980 -1.331 1.00 0.00 O ATOM 265 CB ILE A 668 -6.046 2.227 -4.260 1.00 0.00 C ATOM 266 CG1 ILE A 668 -5.561 3.680 -4.202 1.00 0.00 C ATOM 267 CG2 ILE A 668 -7.565 2.181 -4.340 1.00 0.00 C ATOM 268 CD1 ILE A 668 -5.812 4.452 -5.479 1.00 0.00 C ATOM 0 H ILE A 668 -6.842 -0.075 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.484 1.225 -3.158 1.00 0.00 H new ATOM 0 HB ILE A 668 -5.632 1.766 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -6.059 4.188 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -4.493 3.690 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -7.901 2.748 -5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.893 1.146 -4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -7.990 2.616 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -5.444 5.472 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -5.292 3.968 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -6.882 4.474 -5.687 1.00 0.00 H new ATOM 280 N GLU A 669 -6.950 2.123 -1.190 1.00 0.00 N ATOM 281 CA GLU A 669 -7.278 2.854 0.029 1.00 0.00 C ATOM 282 C GLU A 669 -6.550 2.253 1.223 1.00 0.00 C ATOM 283 O GLU A 669 -5.915 2.968 1.997 1.00 0.00 O ATOM 284 CB GLU A 669 -8.789 2.848 0.266 1.00 0.00 C ATOM 285 CG GLU A 669 -9.371 1.457 0.456 1.00 0.00 C ATOM 286 CD GLU A 669 -10.864 1.408 0.193 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.534 2.443 0.389 1.00 0.00 O ATOM 288 OE2 GLU A 669 -11.360 0.335 -0.209 1.00 0.00 O ATOM 0 H GLU A 669 -7.698 1.524 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 669 -6.951 3.887 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.012 3.449 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.283 3.327 -0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -8.865 0.761 -0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -9.174 1.121 1.474 1.00 0.00 H new ATOM 295 N GLU A 670 -6.630 0.935 1.359 1.00 0.00 N ATOM 296 CA GLU A 670 -5.957 0.247 2.452 1.00 0.00 C ATOM 297 C GLU A 670 -4.447 0.374 2.301 1.00 0.00 C ATOM 298 O GLU A 670 -3.707 0.297 3.281 1.00 0.00 O ATOM 299 CB GLU A 670 -6.362 -1.228 2.487 1.00 0.00 C ATOM 300 CG GLU A 670 -6.501 -1.787 3.894 1.00 0.00 C ATOM 301 CD GLU A 670 -5.300 -2.613 4.313 1.00 0.00 C ATOM 302 OE1 GLU A 670 -4.194 -2.359 3.793 1.00 0.00 O ATOM 303 OE2 GLU A 670 -5.467 -3.513 5.163 1.00 0.00 O ATOM 0 H GLU A 670 -7.151 0.325 0.730 1.00 0.00 H new ATOM 0 HA GLU A 670 -6.258 0.711 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.309 -1.349 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.620 -1.813 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.635 -0.964 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.399 -2.403 3.950 1.00 0.00 H new ATOM 310 N ALA A 671 -3.997 0.582 1.066 1.00 0.00 N ATOM 311 CA ALA A 671 -2.579 0.733 0.790 1.00 0.00 C ATOM 312 C ALA A 671 -2.029 1.968 1.487 1.00 0.00 C ATOM 313 O ALA A 671 -0.907 1.957 1.990 1.00 0.00 O ATOM 314 CB ALA A 671 -2.338 0.824 -0.709 1.00 0.00 C ATOM 0 H ALA A 671 -4.597 0.649 0.244 1.00 0.00 H new ATOM 0 HA ALA A 671 -2.058 -0.144 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -1.271 0.937 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -2.699 -0.084 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -2.872 1.685 -1.112 1.00 0.00 H new ATOM 320 N GLU A 672 -2.828 3.034 1.521 1.00 0.00 N ATOM 321 CA GLU A 672 -2.411 4.274 2.166 1.00 0.00 C ATOM 322 C GLU A 672 -1.914 4.000 3.580 1.00 0.00 C ATOM 323 O GLU A 672 -0.994 4.657 4.067 1.00 0.00 O ATOM 324 CB GLU A 672 -3.567 5.275 2.200 1.00 0.00 C ATOM 325 CG GLU A 672 -3.741 6.048 0.902 1.00 0.00 C ATOM 326 CD GLU A 672 -2.633 7.057 0.671 1.00 0.00 C ATOM 327 OE1 GLU A 672 -1.559 6.912 1.293 1.00 0.00 O ATOM 328 OE2 GLU A 672 -2.838 7.992 -0.131 1.00 0.00 O ATOM 0 H GLU A 672 -3.762 3.062 1.112 1.00 0.00 H new ATOM 0 HA GLU A 672 -1.594 4.703 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.492 4.742 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -3.402 5.981 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -3.769 5.348 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -4.701 6.565 0.917 1.00 0.00 H new ATOM 335 N ALA A 673 -2.522 3.013 4.228 1.00 0.00 N ATOM 336 CA ALA A 673 -2.136 2.636 5.579 1.00 0.00 C ATOM 337 C ALA A 673 -0.730 2.087 5.599 1.00 0.00 C ATOM 338 O ALA A 673 0.187 2.698 6.147 1.00 0.00 O ATOM 339 CB ALA A 673 -3.084 1.584 6.124 1.00 0.00 C ATOM 0 H ALA A 673 -3.285 2.460 3.838 1.00 0.00 H new ATOM 0 HA ALA A 673 -2.182 3.529 6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -2.783 1.312 7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -4.098 1.983 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -3.053 0.701 5.486 1.00 0.00 H new ATOM 345 N ILE A 674 -0.569 0.928 4.985 1.00 0.00 N ATOM 346 CA ILE A 674 0.728 0.290 4.918 1.00 0.00 C ATOM 347 C ILE A 674 1.715 1.228 4.236 1.00 0.00 C ATOM 348 O ILE A 674 2.923 1.134 4.436 1.00 0.00 O ATOM 349 CB ILE A 674 0.664 -1.087 4.198 1.00 0.00 C ATOM 350 CG1 ILE A 674 1.133 -0.999 2.745 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.740 -1.658 4.250 1.00 0.00 C ATOM 352 CD1 ILE A 674 2.602 -1.288 2.597 1.00 0.00 C ATOM 0 H ILE A 674 -1.321 0.412 4.527 1.00 0.00 H new ATOM 0 HA ILE A 674 1.068 0.089 5.934 1.00 0.00 H new ATOM 0 HB ILE A 674 1.343 -1.753 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 674 0.564 -1.704 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 674 0.921 -0.003 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -0.760 -2.621 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -1.040 -1.791 5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -1.430 -0.973 3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 674 2.884 -1.212 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 674 3.175 -0.567 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 674 2.813 -2.295 2.958 1.00 0.00 H new ATOM 364 N GLU A 675 1.184 2.157 3.445 1.00 0.00 N ATOM 365 CA GLU A 675 2.016 3.123 2.760 1.00 0.00 C ATOM 366 C GLU A 675 2.771 3.973 3.775 1.00 0.00 C ATOM 367 O GLU A 675 3.908 4.379 3.535 1.00 0.00 O ATOM 368 CB GLU A 675 1.166 4.021 1.857 1.00 0.00 C ATOM 369 CG GLU A 675 1.331 3.730 0.376 1.00 0.00 C ATOM 370 CD GLU A 675 1.556 4.986 -0.445 1.00 0.00 C ATOM 371 OE1 GLU A 675 2.136 5.951 0.095 1.00 0.00 O ATOM 372 OE2 GLU A 675 1.151 5.004 -1.626 1.00 0.00 O ATOM 0 H GLU A 675 0.184 2.255 3.268 1.00 0.00 H new ATOM 0 HA GLU A 675 2.733 2.585 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 675 0.116 3.903 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 675 1.428 5.062 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 675 2.173 3.052 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 675 0.443 3.215 0.010 1.00 0.00 H new ATOM 379 N LYS A 676 2.127 4.241 4.912 1.00 0.00 N ATOM 380 CA LYS A 676 2.745 5.047 5.961 1.00 0.00 C ATOM 381 C LYS A 676 3.817 4.268 6.710 1.00 0.00 C ATOM 382 O LYS A 676 4.559 4.842 7.507 1.00 0.00 O ATOM 383 CB LYS A 676 1.686 5.559 6.937 1.00 0.00 C ATOM 384 CG LYS A 676 2.101 6.817 7.682 1.00 0.00 C ATOM 385 CD LYS A 676 1.685 8.072 6.931 1.00 0.00 C ATOM 386 CE LYS A 676 0.241 8.444 7.225 1.00 0.00 C ATOM 387 NZ LYS A 676 -0.031 9.879 6.941 1.00 0.00 N ATOM 0 H LYS A 676 1.185 3.914 5.127 1.00 0.00 H new ATOM 0 HA LYS A 676 3.226 5.898 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 676 0.765 5.759 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 676 1.462 4.775 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 676 1.650 6.819 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 676 3.182 6.818 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 676 2.339 8.898 7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 676 1.810 7.915 5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -0.423 7.823 6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 676 0.017 8.232 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -1.026 10.093 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 0.585 10.473 7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 0.158 10.076 5.937 1.00 0.00 H new ATOM 401 N THR A 677 3.936 2.975 6.429 1.00 0.00 N ATOM 402 CA THR A 677 4.968 2.174 7.068 1.00 0.00 C ATOM 403 C THR A 677 6.232 2.258 6.228 1.00 0.00 C ATOM 404 O THR A 677 7.335 1.990 6.705 1.00 0.00 O ATOM 405 CB THR A 677 4.527 0.712 7.236 1.00 0.00 C ATOM 406 OG1 THR A 677 3.221 0.516 6.726 1.00 0.00 O ATOM 407 CG2 THR A 677 4.523 0.256 8.678 1.00 0.00 C ATOM 0 H THR A 677 3.341 2.468 5.774 1.00 0.00 H new ATOM 0 HA THR A 677 5.155 2.566 8.068 1.00 0.00 H new ATOM 0 HB THR A 677 5.259 0.125 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 677 3.244 0.548 5.747 1.00 0.00 H new ATOM 0 HG21 THR A 677 4.203 -0.785 8.730 1.00 0.00 H new ATOM 0 HG22 THR A 677 5.527 0.347 9.091 1.00 0.00 H new ATOM 0 HG23 THR A 677 3.836 0.876 9.254 1.00 0.00 H new ATOM 415 N LEU A 678 6.048 2.641 4.964 1.00 0.00 N ATOM 416 CA LEU A 678 7.150 2.779 4.031 1.00 0.00 C ATOM 417 C LEU A 678 8.143 3.814 4.528 1.00 0.00 C ATOM 418 O LEU A 678 9.334 3.728 4.231 1.00 0.00 O ATOM 419 CB LEU A 678 6.627 3.172 2.649 1.00 0.00 C ATOM 420 CG LEU A 678 7.647 3.055 1.516 1.00 0.00 C ATOM 421 CD1 LEU A 678 8.671 4.175 1.605 1.00 0.00 C ATOM 422 CD2 LEU A 678 8.331 1.697 1.558 1.00 0.00 C ATOM 0 H LEU A 678 5.135 2.861 4.567 1.00 0.00 H new ATOM 0 HA LEU A 678 7.660 1.818 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 678 5.768 2.545 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 678 6.269 4.201 2.691 1.00 0.00 H new ATOM 0 HG LEU A 678 7.122 3.146 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 678 9.389 4.077 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 678 8.165 5.137 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 678 9.194 4.115 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 678 9.054 1.629 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 678 8.845 1.578 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 678 7.585 0.910 1.447 1.00 0.00 H new ATOM 434 N LYS A 679 7.650 4.793 5.287 1.00 0.00 N ATOM 435 CA LYS A 679 8.515 5.836 5.828 1.00 0.00 C ATOM 436 C LYS A 679 9.567 5.227 6.757 1.00 0.00 C ATOM 437 O LYS A 679 9.517 5.403 7.974 1.00 0.00 O ATOM 438 CB LYS A 679 7.682 6.883 6.575 1.00 0.00 C ATOM 439 CG LYS A 679 7.793 8.280 5.987 1.00 0.00 C ATOM 440 CD LYS A 679 9.181 8.862 6.193 1.00 0.00 C ATOM 441 CE LYS A 679 9.603 9.729 5.017 1.00 0.00 C ATOM 442 NZ LYS A 679 9.411 11.179 5.299 1.00 0.00 N ATOM 0 H LYS A 679 6.666 4.884 5.538 1.00 0.00 H new ATOM 0 HA LYS A 679 9.028 6.327 5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 679 6.636 6.576 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 679 7.998 6.910 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 679 7.566 8.247 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 679 7.052 8.931 6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 679 9.196 9.455 7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 679 9.900 8.053 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 679 10.651 9.540 4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 679 9.026 9.451 4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 9.710 11.736 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 8.407 11.364 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 9.982 11.451 6.125 1.00 0.00 H new ATOM 456 N ASN A 680 10.514 4.500 6.169 1.00 0.00 N ATOM 457 CA ASN A 680 11.574 3.852 6.932 1.00 0.00 C ATOM 458 C ASN A 680 12.608 4.869 7.404 1.00 0.00 C ATOM 459 O ASN A 680 13.302 5.484 6.595 1.00 0.00 O ATOM 460 CB ASN A 680 12.254 2.768 6.085 1.00 0.00 C ATOM 461 CG ASN A 680 13.251 1.953 6.885 1.00 0.00 C ATOM 462 OD1 ASN A 680 12.978 1.553 8.016 1.00 0.00 O ATOM 463 ND2 ASN A 680 14.417 1.704 6.300 1.00 0.00 N ATOM 0 H ASN A 680 10.568 4.345 5.162 1.00 0.00 H new ATOM 0 HA ASN A 680 11.123 3.388 7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 680 11.495 2.104 5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 680 12.763 3.235 5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 680 15.128 1.162 6.790 1.00 0.00 H new ATOM 0 HD22 ASN A 680 14.601 2.055 5.360 1.00 0.00 H new ATOM 470 N LYS A 681 12.706 5.040 8.719 1.00 0.00 N ATOM 471 CA LYS A 681 13.654 5.983 9.299 1.00 0.00 C ATOM 472 C LYS A 681 14.344 5.379 10.519 1.00 0.00 C ATOM 473 O LYS A 681 13.791 5.378 11.619 1.00 0.00 O ATOM 474 CB LYS A 681 12.943 7.279 9.691 1.00 0.00 C ATOM 475 CG LYS A 681 12.923 8.320 8.584 1.00 0.00 C ATOM 476 CD LYS A 681 12.768 9.725 9.144 1.00 0.00 C ATOM 477 CE LYS A 681 11.354 9.971 9.648 1.00 0.00 C ATOM 478 NZ LYS A 681 10.535 10.721 8.657 1.00 0.00 N ATOM 0 H LYS A 681 12.140 4.537 9.403 1.00 0.00 H new ATOM 0 HA LYS A 681 14.412 6.206 8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 681 11.918 7.048 9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 681 13.434 7.702 10.568 1.00 0.00 H new ATOM 0 HG2 LYS A 681 13.846 8.257 8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 681 12.103 8.108 7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 681 13.477 9.873 9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 681 13.012 10.455 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 681 10.875 9.017 9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 681 11.394 10.529 10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 9.544 10.412 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 10.594 11.740 8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 10.894 10.536 7.699 1.00 0.00 H new ATOM 492 N GLN A 682 15.553 4.867 10.317 1.00 0.00 N ATOM 493 CA GLN A 682 16.318 4.261 11.400 1.00 0.00 C ATOM 494 C GLN A 682 16.750 5.313 12.417 1.00 0.00 C ATOM 495 O GLN A 682 17.377 6.311 12.062 1.00 0.00 O ATOM 496 CB GLN A 682 17.547 3.538 10.844 1.00 0.00 C ATOM 497 CG GLN A 682 18.463 4.436 10.029 1.00 0.00 C ATOM 498 CD GLN A 682 19.708 3.716 9.549 1.00 0.00 C ATOM 499 OE1 GLN A 682 20.392 3.049 10.324 1.00 0.00 O ATOM 500 NE2 GLN A 682 20.008 3.849 8.261 1.00 0.00 N ATOM 0 H GLN A 682 16.025 4.860 9.413 1.00 0.00 H new ATOM 0 HA GLN A 682 15.676 3.537 11.903 1.00 0.00 H new ATOM 0 HB2 GLN A 682 18.113 3.111 11.672 1.00 0.00 H new ATOM 0 HB3 GLN A 682 17.218 2.707 10.221 1.00 0.00 H new ATOM 0 HG2 GLN A 682 17.916 4.822 9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 682 18.755 5.295 10.633 1.00 0.00 H new ATOM 0 HE21 GLN A 682 19.412 4.412 7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 682 20.834 3.388 7.879 1.00 0.00 H new ATOM 509 N ASN A 683 16.412 5.082 13.680 1.00 0.00 N ATOM 510 CA ASN A 683 16.767 6.010 14.749 1.00 0.00 C ATOM 511 C ASN A 683 16.168 7.389 14.492 1.00 0.00 C ATOM 512 O ASN A 683 16.689 8.374 15.059 1.00 0.00 O ATOM 513 CB ASN A 683 18.287 6.117 14.875 1.00 0.00 C ATOM 514 CG ASN A 683 18.882 4.981 15.684 1.00 0.00 C ATOM 515 OD1 ASN A 683 18.210 4.388 16.528 1.00 0.00 O ATOM 516 ND2 ASN A 683 20.148 4.673 15.432 1.00 0.00 N ATOM 517 OXT ASN A 683 15.184 7.474 13.728 1.00 0.00 O ATOM 0 H ASN A 683 15.893 4.261 13.990 1.00 0.00 H new ATOM 0 HA ASN A 683 16.358 5.624 15.683 1.00 0.00 H new ATOM 0 HB2 ASN A 683 18.732 6.122 13.880 1.00 0.00 H new ATOM 0 HB3 ASN A 683 18.544 7.067 15.344 1.00 0.00 H new ATOM 0 HD21 ASN A 683 20.601 3.918 15.947 1.00 0.00 H new ATOM 0 HD22 ASN A 683 20.668 5.191 14.723 1.00 0.00 H new TER 524 ASN A 683