USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=6 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 8:sc= 1.77 USER MOD Set 1.2: A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 654 TYR OH : rot 69:sc= 0.132 USER MOD Single : A 655 SER OG : rot -43:sc= -5.51! USER MOD Single : A 657 GLN : amide:sc= 0 K(o=0,f=-0.89) 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 63:sc= -0.479 USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -0.714 K(o=-0.71,f=-7.5!) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= -0.663 K(o=-0.66,f=-4.1!) USER MOD Single : A 683 ASN : amide:sc= -0.0891 K(o=-0.089,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 14.211 4.281 5.801 1.00 0.00 N ATOM 2 CA GLY A 651 13.430 4.558 4.565 1.00 0.00 C ATOM 3 C GLY A 651 14.133 4.069 3.313 1.00 0.00 C ATOM 4 O GLY A 651 15.344 4.237 3.168 1.00 0.00 O ATOM 0 HA2 GLY A 651 12.454 4.079 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 651 13.253 5.630 4.483 1.00 0.00 H new ATOM 9 N ALA A 652 13.372 3.465 2.407 1.00 0.00 N ATOM 10 CA ALA A 652 13.927 2.952 1.160 1.00 0.00 C ATOM 11 C ALA A 652 12.830 2.397 0.258 1.00 0.00 C ATOM 12 O ALA A 652 12.364 3.076 -0.657 1.00 0.00 O ATOM 13 CB ALA A 652 14.974 1.886 1.449 1.00 0.00 C ATOM 0 H ALA A 652 12.368 3.319 2.513 1.00 0.00 H new ATOM 0 HA ALA A 652 14.405 3.778 0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 652 15.381 1.511 0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 652 15.778 2.318 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 652 14.515 1.065 1.999 1.00 0.00 H new ATOM 19 N ASP A 653 12.421 1.162 0.522 1.00 0.00 N ATOM 20 CA ASP A 653 11.377 0.517 -0.266 1.00 0.00 C ATOM 21 C ASP A 653 10.968 -0.818 0.351 1.00 0.00 C ATOM 22 O ASP A 653 11.628 -1.837 0.144 1.00 0.00 O ATOM 23 CB ASP A 653 11.855 0.305 -1.704 1.00 0.00 C ATOM 24 CG ASP A 653 11.155 1.225 -2.686 1.00 0.00 C ATOM 25 OD1 ASP A 653 10.088 0.836 -3.208 1.00 0.00 O ATOM 26 OD2 ASP A 653 11.673 2.333 -2.935 1.00 0.00 O ATOM 0 H ASP A 653 12.796 0.587 1.276 1.00 0.00 H new ATOM 0 HA ASP A 653 10.505 1.171 -0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 653 12.931 0.474 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 653 11.681 -0.731 -1.993 1.00 0.00 H new ATOM 31 N TYR A 654 9.873 -0.807 1.105 1.00 0.00 N ATOM 32 CA TYR A 654 9.372 -2.018 1.747 1.00 0.00 C ATOM 33 C TYR A 654 7.868 -1.955 1.915 1.00 0.00 C ATOM 34 O TYR A 654 7.142 -2.833 1.448 1.00 0.00 O ATOM 35 CB TYR A 654 10.036 -2.223 3.112 1.00 0.00 C ATOM 36 CG TYR A 654 10.270 -0.930 3.862 1.00 0.00 C ATOM 37 CD1 TYR A 654 11.270 -0.059 3.461 1.00 0.00 C ATOM 38 CD2 TYR A 654 9.488 -0.575 4.956 1.00 0.00 C ATOM 39 CE1 TYR A 654 11.491 1.131 4.128 1.00 0.00 C ATOM 40 CE2 TYR A 654 9.700 0.610 5.627 1.00 0.00 C ATOM 41 CZ TYR A 654 10.704 1.461 5.211 1.00 0.00 C ATOM 42 OH TYR A 654 10.919 2.645 5.878 1.00 0.00 O ATOM 0 H TYR A 654 9.315 0.027 1.287 1.00 0.00 H new ATOM 0 HA TYR A 654 9.619 -2.862 1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 654 9.411 -2.879 3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 654 10.990 -2.732 2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 654 11.887 -0.314 2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 654 8.702 -1.239 5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 654 12.275 1.798 3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 654 9.083 0.872 6.474 1.00 0.00 H new ATOM 0 HH TYR A 654 10.661 3.396 5.303 1.00 0.00 H new ATOM 52 N SER A 655 7.401 -0.903 2.567 1.00 0.00 N ATOM 53 CA SER A 655 5.975 -0.720 2.774 1.00 0.00 C ATOM 54 C SER A 655 5.343 -0.066 1.557 1.00 0.00 C ATOM 55 O SER A 655 4.242 0.478 1.624 1.00 0.00 O ATOM 56 CB SER A 655 5.715 0.115 4.024 1.00 0.00 C ATOM 57 OG SER A 655 6.913 0.318 4.749 1.00 0.00 O ATOM 0 H SER A 655 7.986 -0.166 2.960 1.00 0.00 H new ATOM 0 HA SER A 655 5.520 -1.700 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 655 5.287 1.077 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 655 4.982 -0.386 4.656 1.00 0.00 H new ATOM 0 HG SER A 655 7.419 -0.520 4.785 1.00 0.00 H new ATOM 63 N ALA A 656 6.049 -0.154 0.442 1.00 0.00 N ATOM 64 CA ALA A 656 5.585 0.385 -0.815 1.00 0.00 C ATOM 65 C ALA A 656 5.330 -0.754 -1.772 1.00 0.00 C ATOM 66 O ALA A 656 4.313 -0.788 -2.464 1.00 0.00 O ATOM 67 CB ALA A 656 6.603 1.339 -1.411 1.00 0.00 C ATOM 0 H ALA A 656 6.963 -0.604 0.388 1.00 0.00 H new ATOM 0 HA ALA A 656 4.665 0.943 -0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 656 6.226 1.729 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 656 6.775 2.165 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 656 7.540 0.810 -1.584 1.00 0.00 H new ATOM 73 N GLN A 657 6.258 -1.706 -1.790 1.00 0.00 N ATOM 74 CA GLN A 657 6.108 -2.859 -2.648 1.00 0.00 C ATOM 75 C GLN A 657 4.874 -3.632 -2.208 1.00 0.00 C ATOM 76 O GLN A 657 4.149 -4.204 -3.021 1.00 0.00 O ATOM 77 CB GLN A 657 7.355 -3.752 -2.589 1.00 0.00 C ATOM 78 CG GLN A 657 7.051 -5.244 -2.525 1.00 0.00 C ATOM 79 CD GLN A 657 8.304 -6.093 -2.456 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.421 -5.581 -2.541 1.00 0.00 O ATOM 81 NE2 GLN A 657 8.126 -7.399 -2.298 1.00 0.00 N ATOM 0 H GLN A 657 7.108 -1.696 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 657 5.990 -2.532 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.971 -3.555 -3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.946 -3.475 -1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 657 6.431 -5.447 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 657 6.471 -5.530 -3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 657 7.182 -7.781 -2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 657 8.933 -8.021 -2.242 1.00 0.00 H new ATOM 90 N TRP A 658 4.650 -3.622 -0.899 1.00 0.00 N ATOM 91 CA TRP A 658 3.514 -4.296 -0.306 1.00 0.00 C ATOM 92 C TRP A 658 2.266 -3.444 -0.451 1.00 0.00 C ATOM 93 O TRP A 658 1.157 -3.959 -0.560 1.00 0.00 O ATOM 94 CB TRP A 658 3.806 -4.589 1.172 1.00 0.00 C ATOM 95 CG TRP A 658 3.887 -6.049 1.474 1.00 0.00 C ATOM 96 CD1 TRP A 658 4.871 -6.709 2.152 1.00 0.00 C ATOM 97 CD2 TRP A 658 2.931 -7.027 1.095 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.574 -8.051 2.215 1.00 0.00 N ATOM 99 CE2 TRP A 658 3.384 -8.270 1.570 1.00 0.00 C ATOM 100 CE3 TRP A 658 1.733 -6.960 0.398 1.00 0.00 C ATOM 101 CZ2 TRP A 658 2.670 -9.446 1.363 1.00 0.00 C ATOM 102 CZ3 TRP A 658 1.020 -8.126 0.191 1.00 0.00 C ATOM 103 CH2 TRP A 658 1.490 -9.356 0.672 1.00 0.00 C ATOM 0 H TRP A 658 5.251 -3.147 -0.226 1.00 0.00 H new ATOM 0 HA TRP A 658 3.342 -5.240 -0.823 1.00 0.00 H new ATOM 0 HB2 TRP A 658 4.746 -4.113 1.452 1.00 0.00 H new ATOM 0 HB3 TRP A 658 3.026 -4.140 1.786 1.00 0.00 H new ATOM 0 HD1 TRP A 658 5.751 -6.247 2.575 1.00 0.00 H new ATOM 0 HE1 TRP A 658 5.145 -8.765 2.667 1.00 0.00 H new ATOM 0 HE3 TRP A 658 1.365 -6.016 0.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 3.032 -10.394 1.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 0.086 -8.089 -0.350 1.00 0.00 H new ATOM 0 HH2 TRP A 658 0.911 -10.250 0.495 1.00 0.00 H new ATOM 114 N ALA A 659 2.454 -2.133 -0.475 1.00 0.00 N ATOM 115 CA ALA A 659 1.340 -1.217 -0.636 1.00 0.00 C ATOM 116 C ALA A 659 0.929 -1.141 -2.102 1.00 0.00 C ATOM 117 O ALA A 659 -0.128 -0.613 -2.433 1.00 0.00 O ATOM 118 CB ALA A 659 1.708 0.167 -0.116 1.00 0.00 C ATOM 0 H ALA A 659 3.365 -1.683 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 659 0.497 -1.590 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 659 0.861 0.841 -0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 659 1.963 0.102 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 659 2.564 0.549 -0.673 1.00 0.00 H new ATOM 124 N GLU A 660 1.783 -1.664 -2.982 1.00 0.00 N ATOM 125 CA GLU A 660 1.510 -1.636 -4.410 1.00 0.00 C ATOM 126 C GLU A 660 0.476 -2.671 -4.821 1.00 0.00 C ATOM 127 O GLU A 660 -0.344 -2.410 -5.701 1.00 0.00 O ATOM 128 CB GLU A 660 2.801 -1.836 -5.206 1.00 0.00 C ATOM 129 CG GLU A 660 3.541 -0.539 -5.496 1.00 0.00 C ATOM 130 CD GLU A 660 4.904 -0.772 -6.119 1.00 0.00 C ATOM 131 OE1 GLU A 660 4.982 -1.533 -7.106 1.00 0.00 O ATOM 132 OE2 GLU A 660 5.891 -0.191 -5.622 1.00 0.00 O ATOM 0 H GLU A 660 2.665 -2.109 -2.728 1.00 0.00 H new ATOM 0 HA GLU A 660 1.095 -0.654 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.460 -2.505 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 660 2.565 -2.329 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 660 2.940 0.076 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 660 3.660 0.022 -4.569 1.00 0.00 H new ATOM 139 N TYR A 661 0.498 -3.842 -4.198 1.00 0.00 N ATOM 140 CA TYR A 661 -0.478 -4.866 -4.551 1.00 0.00 C ATOM 141 C TYR A 661 -1.881 -4.427 -4.132 1.00 0.00 C ATOM 142 O TYR A 661 -2.877 -4.886 -4.691 1.00 0.00 O ATOM 143 CB TYR A 661 -0.108 -6.221 -3.930 1.00 0.00 C ATOM 144 CG TYR A 661 -0.830 -6.523 -2.639 1.00 0.00 C ATOM 145 CD1 TYR A 661 -0.853 -5.595 -1.613 1.00 0.00 C ATOM 146 CD2 TYR A 661 -1.486 -7.733 -2.451 1.00 0.00 C ATOM 147 CE1 TYR A 661 -1.512 -5.860 -0.429 1.00 0.00 C ATOM 148 CE2 TYR A 661 -2.149 -8.008 -1.270 1.00 0.00 C ATOM 149 CZ TYR A 661 -2.159 -7.067 -0.262 1.00 0.00 C ATOM 150 OH TYR A 661 -2.817 -7.333 0.916 1.00 0.00 O ATOM 0 H TYR A 661 1.160 -4.103 -3.467 1.00 0.00 H new ATOM 0 HA TYR A 661 -0.469 -4.992 -5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 661 -0.326 -7.010 -4.649 1.00 0.00 H new ATOM 0 HB3 TYR A 661 0.966 -6.244 -3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 661 -0.348 -4.649 -1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 661 -1.478 -8.470 -3.240 1.00 0.00 H new ATOM 0 HE1 TYR A 661 -1.521 -5.126 0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 661 -2.655 -8.953 -1.138 1.00 0.00 H new ATOM 0 HH TYR A 661 -2.837 -6.525 1.469 1.00 0.00 H new ATOM 160 N TYR A 662 -1.951 -3.526 -3.153 1.00 0.00 N ATOM 161 CA TYR A 662 -3.229 -3.019 -2.675 1.00 0.00 C ATOM 162 C TYR A 662 -3.902 -2.176 -3.743 1.00 0.00 C ATOM 163 O TYR A 662 -5.022 -2.460 -4.163 1.00 0.00 O ATOM 164 CB TYR A 662 -3.027 -2.170 -1.424 1.00 0.00 C ATOM 165 CG TYR A 662 -2.992 -2.964 -0.145 1.00 0.00 C ATOM 166 CD1 TYR A 662 -3.930 -3.957 0.110 1.00 0.00 C ATOM 167 CD2 TYR A 662 -2.020 -2.718 0.808 1.00 0.00 C ATOM 168 CE1 TYR A 662 -3.896 -4.681 1.286 1.00 0.00 C ATOM 169 CE2 TYR A 662 -1.978 -3.436 1.983 1.00 0.00 C ATOM 170 CZ TYR A 662 -2.918 -4.417 2.220 1.00 0.00 C ATOM 171 OH TYR A 662 -2.880 -5.134 3.394 1.00 0.00 O ATOM 0 H TYR A 662 -1.137 -3.135 -2.678 1.00 0.00 H new ATOM 0 HA TYR A 662 -3.863 -3.873 -2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.094 -1.615 -1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -3.830 -1.436 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -4.697 -4.166 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -1.282 -1.950 0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -4.632 -5.449 1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -1.212 -3.231 2.716 1.00 0.00 H new ATOM 0 HH TYR A 662 -2.129 -4.825 3.942 1.00 0.00 H new ATOM 181 N ARG A 663 -3.207 -1.134 -4.175 1.00 0.00 N ATOM 182 CA ARG A 663 -3.734 -0.235 -5.193 1.00 0.00 C ATOM 183 C ARG A 663 -4.031 -0.969 -6.500 1.00 0.00 C ATOM 184 O ARG A 663 -4.611 -0.392 -7.420 1.00 0.00 O ATOM 185 CB ARG A 663 -2.766 0.924 -5.451 1.00 0.00 C ATOM 186 CG ARG A 663 -1.306 0.508 -5.543 1.00 0.00 C ATOM 187 CD ARG A 663 -0.414 1.430 -4.726 1.00 0.00 C ATOM 188 NE ARG A 663 0.888 1.633 -5.356 1.00 0.00 N ATOM 189 CZ ARG A 663 1.685 2.667 -5.097 1.00 0.00 C ATOM 190 NH1 ARG A 663 1.323 3.591 -4.215 1.00 0.00 N ATOM 191 NH2 ARG A 663 2.850 2.779 -5.722 1.00 0.00 N ATOM 0 H ARG A 663 -2.276 -0.889 -3.837 1.00 0.00 H new ATOM 0 HA ARG A 663 -4.673 0.166 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -3.050 1.420 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -2.874 1.657 -4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -1.195 -0.517 -5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -0.987 0.521 -6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -0.909 2.393 -4.598 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -0.273 1.009 -3.730 1.00 0.00 H new ATOM 0 HE ARG A 663 1.205 0.941 -6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 663 0.429 3.511 -3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 663 1.939 4.381 -4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 663 3.135 2.073 -6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 663 3.461 3.571 -5.524 1.00 0.00 H new ATOM 205 N SER A 664 -3.636 -2.236 -6.586 1.00 0.00 N ATOM 206 CA SER A 664 -3.872 -3.019 -7.792 1.00 0.00 C ATOM 207 C SER A 664 -5.201 -3.761 -7.721 1.00 0.00 C ATOM 208 O SER A 664 -5.896 -3.903 -8.727 1.00 0.00 O ATOM 209 CB SER A 664 -2.728 -4.007 -8.023 1.00 0.00 C ATOM 210 OG SER A 664 -1.669 -3.404 -8.744 1.00 0.00 O ATOM 0 H SER A 664 -3.155 -2.738 -5.840 1.00 0.00 H new ATOM 0 HA SER A 664 -3.916 -2.327 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 664 -2.358 -4.370 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 664 -3.097 -4.874 -8.571 1.00 0.00 H new ATOM 0 HG SER A 664 -0.950 -4.057 -8.876 1.00 0.00 H new ATOM 216 N VAL A 665 -5.556 -4.222 -6.530 1.00 0.00 N ATOM 217 CA VAL A 665 -6.809 -4.937 -6.333 1.00 0.00 C ATOM 218 C VAL A 665 -7.862 -4.000 -5.759 1.00 0.00 C ATOM 219 O VAL A 665 -8.669 -4.391 -4.913 1.00 0.00 O ATOM 220 CB VAL A 665 -6.632 -6.144 -5.392 1.00 0.00 C ATOM 221 CG1 VAL A 665 -7.903 -6.977 -5.347 1.00 0.00 C ATOM 222 CG2 VAL A 665 -5.445 -6.993 -5.824 1.00 0.00 C ATOM 0 H VAL A 665 -4.994 -4.114 -5.686 1.00 0.00 H new ATOM 0 HA VAL A 665 -7.133 -5.306 -7.306 1.00 0.00 H new ATOM 0 HB VAL A 665 -6.433 -5.770 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -7.759 -7.825 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -8.727 -6.364 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -8.135 -7.341 -6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 665 -5.338 -7.840 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -5.609 -7.358 -6.838 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -4.537 -6.390 -5.798 1.00 0.00 H new ATOM 232 N GLY A 666 -7.836 -2.751 -6.214 1.00 0.00 N ATOM 233 CA GLY A 666 -8.778 -1.765 -5.725 1.00 0.00 C ATOM 234 C GLY A 666 -8.606 -1.516 -4.247 1.00 0.00 C ATOM 235 O GLY A 666 -9.546 -1.115 -3.560 1.00 0.00 O ATOM 0 H GLY A 666 -7.178 -2.406 -6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -8.643 -0.831 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -9.795 -2.104 -5.921 1.00 0.00 H new ATOM 239 N LYS A 667 -7.394 -1.749 -3.756 1.00 0.00 N ATOM 240 CA LYS A 667 -7.096 -1.541 -2.349 1.00 0.00 C ATOM 241 C LYS A 667 -6.239 -0.298 -2.158 1.00 0.00 C ATOM 242 O LYS A 667 -5.590 -0.125 -1.126 1.00 0.00 O ATOM 243 CB LYS A 667 -6.404 -2.770 -1.754 1.00 0.00 C ATOM 244 CG LYS A 667 -7.255 -3.512 -0.734 1.00 0.00 C ATOM 245 CD LYS A 667 -7.738 -4.848 -1.274 1.00 0.00 C ATOM 246 CE LYS A 667 -6.831 -5.988 -0.836 1.00 0.00 C ATOM 247 NZ LYS A 667 -7.609 -7.165 -0.362 1.00 0.00 N ATOM 0 H LYS A 667 -6.606 -2.081 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 667 -8.038 -1.391 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -6.139 -3.454 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.473 -2.459 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -6.676 -3.674 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -8.113 -2.898 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -8.754 -5.036 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -7.775 -4.809 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -6.194 -6.285 -1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -6.173 -5.643 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -6.955 -7.920 -0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -8.198 -6.888 0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -8.218 -7.511 -1.131 1.00 0.00 H new ATOM 261 N ILE A 668 -6.256 0.570 -3.161 1.00 0.00 N ATOM 262 CA ILE A 668 -5.496 1.817 -3.122 1.00 0.00 C ATOM 263 C ILE A 668 -5.675 2.517 -1.784 1.00 0.00 C ATOM 264 O ILE A 668 -4.738 3.105 -1.241 1.00 0.00 O ATOM 265 CB ILE A 668 -5.927 2.790 -4.249 1.00 0.00 C ATOM 266 CG1 ILE A 668 -7.349 3.307 -4.000 1.00 0.00 C ATOM 267 CG2 ILE A 668 -5.843 2.117 -5.612 1.00 0.00 C ATOM 268 CD1 ILE A 668 -7.840 4.269 -5.061 1.00 0.00 C ATOM 0 H ILE A 668 -6.791 0.434 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.449 1.549 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 668 -5.240 3.637 -4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -8.031 2.458 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -7.382 3.802 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.151 2.821 -6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -4.817 1.799 -5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -6.501 1.248 -5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -8.852 4.592 -4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -7.181 5.136 -5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -7.841 3.772 -6.031 1.00 0.00 H new ATOM 280 N GLU A 669 -6.890 2.447 -1.259 1.00 0.00 N ATOM 281 CA GLU A 669 -7.203 3.072 0.017 1.00 0.00 C ATOM 282 C GLU A 669 -6.466 2.375 1.152 1.00 0.00 C ATOM 283 O GLU A 669 -5.692 2.998 1.876 1.00 0.00 O ATOM 284 CB GLU A 669 -8.711 3.042 0.268 1.00 0.00 C ATOM 285 CG GLU A 669 -9.128 3.710 1.568 1.00 0.00 C ATOM 286 CD GLU A 669 -10.301 3.016 2.230 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.031 2.285 1.527 1.00 0.00 O ATOM 288 OE2 GLU A 669 -10.490 3.203 3.450 1.00 0.00 O ATOM 0 H GLU A 669 -7.674 1.964 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 669 -6.874 4.111 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.218 3.534 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.048 2.005 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -8.282 3.720 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -9.390 4.749 1.370 1.00 0.00 H new ATOM 295 N GLU A 670 -6.700 1.078 1.298 1.00 0.00 N ATOM 296 CA GLU A 670 -6.044 0.306 2.344 1.00 0.00 C ATOM 297 C GLU A 670 -4.530 0.351 2.177 1.00 0.00 C ATOM 298 O GLU A 670 -3.788 0.149 3.139 1.00 0.00 O ATOM 299 CB GLU A 670 -6.532 -1.144 2.329 1.00 0.00 C ATOM 300 CG GLU A 670 -6.142 -1.928 3.572 1.00 0.00 C ATOM 301 CD GLU A 670 -7.095 -1.697 4.728 1.00 0.00 C ATOM 302 OE1 GLU A 670 -8.281 -2.065 4.603 1.00 0.00 O ATOM 303 OE2 GLU A 670 -6.655 -1.144 5.759 1.00 0.00 O ATOM 0 H GLU A 670 -7.336 0.541 0.709 1.00 0.00 H new ATOM 0 HA GLU A 670 -6.301 0.751 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.617 -1.153 2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -6.127 -1.646 1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.116 -2.991 3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -5.134 -1.645 3.875 1.00 0.00 H new ATOM 310 N ALA A 671 -4.073 0.622 0.958 1.00 0.00 N ATOM 311 CA ALA A 671 -2.645 0.697 0.693 1.00 0.00 C ATOM 312 C ALA A 671 -2.030 1.900 1.393 1.00 0.00 C ATOM 313 O ALA A 671 -0.916 1.822 1.906 1.00 0.00 O ATOM 314 CB ALA A 671 -2.385 0.766 -0.803 1.00 0.00 C ATOM 0 H ALA A 671 -4.667 0.792 0.146 1.00 0.00 H new ATOM 0 HA ALA A 671 -2.177 -0.205 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -1.311 0.822 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -2.788 -0.125 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -2.869 1.651 -1.216 1.00 0.00 H new ATOM 320 N GLU A 672 -2.761 3.013 1.415 1.00 0.00 N ATOM 321 CA GLU A 672 -2.272 4.225 2.062 1.00 0.00 C ATOM 322 C GLU A 672 -1.827 3.926 3.489 1.00 0.00 C ATOM 323 O GLU A 672 -0.886 4.535 4.000 1.00 0.00 O ATOM 324 CB GLU A 672 -3.353 5.313 2.052 1.00 0.00 C ATOM 325 CG GLU A 672 -4.422 5.135 3.120 1.00 0.00 C ATOM 326 CD GLU A 672 -5.792 5.595 2.657 1.00 0.00 C ATOM 327 OE1 GLU A 672 -6.021 5.640 1.430 1.00 0.00 O ATOM 328 OE2 GLU A 672 -6.636 5.910 3.522 1.00 0.00 O ATOM 0 H GLU A 672 -3.687 3.099 0.995 1.00 0.00 H new ATOM 0 HA GLU A 672 -1.411 4.591 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -2.877 6.284 2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -3.831 5.326 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -4.473 4.084 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -4.137 5.694 4.011 1.00 0.00 H new ATOM 335 N ALA A 673 -2.505 2.976 4.122 1.00 0.00 N ATOM 336 CA ALA A 673 -2.178 2.583 5.485 1.00 0.00 C ATOM 337 C ALA A 673 -0.799 1.968 5.552 1.00 0.00 C ATOM 338 O ALA A 673 0.126 2.537 6.130 1.00 0.00 O ATOM 339 CB ALA A 673 -3.196 1.584 6.000 1.00 0.00 C ATOM 0 H ALA A 673 -3.286 2.464 3.711 1.00 0.00 H new ATOM 0 HA ALA A 673 -2.197 3.478 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -2.941 1.298 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -4.188 2.036 5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -3.192 0.699 5.363 1.00 0.00 H new ATOM 345 N ILE A 674 -0.670 0.799 4.947 1.00 0.00 N ATOM 346 CA ILE A 674 0.594 0.098 4.925 1.00 0.00 C ATOM 347 C ILE A 674 1.637 0.936 4.211 1.00 0.00 C ATOM 348 O ILE A 674 2.838 0.739 4.381 1.00 0.00 O ATOM 349 CB ILE A 674 0.455 -1.283 4.253 1.00 0.00 C ATOM 350 CG1 ILE A 674 0.662 -1.195 2.741 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.905 -1.863 4.556 1.00 0.00 C ATOM 352 CD1 ILE A 674 1.989 -1.756 2.306 1.00 0.00 C ATOM 0 H ILE A 674 -1.429 0.318 4.465 1.00 0.00 H new ATOM 0 HA ILE A 674 0.914 -0.066 5.954 1.00 0.00 H new ATOM 0 HB ILE A 674 1.229 -1.935 4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.140 -1.734 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 674 0.592 -0.153 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -0.999 -2.839 4.079 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -1.022 -1.973 5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -1.678 -1.197 4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 674 2.084 -1.668 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 674 2.794 -1.201 2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 674 2.051 -2.806 2.592 1.00 0.00 H new ATOM 364 N GLU A 675 1.168 1.891 3.418 1.00 0.00 N ATOM 365 CA GLU A 675 2.068 2.763 2.709 1.00 0.00 C ATOM 366 C GLU A 675 2.778 3.666 3.705 1.00 0.00 C ATOM 367 O GLU A 675 3.895 4.126 3.463 1.00 0.00 O ATOM 368 CB GLU A 675 1.314 3.612 1.681 1.00 0.00 C ATOM 369 CG GLU A 675 1.401 3.077 0.263 1.00 0.00 C ATOM 370 CD GLU A 675 1.328 4.175 -0.780 1.00 0.00 C ATOM 371 OE1 GLU A 675 2.209 5.060 -0.774 1.00 0.00 O ATOM 372 OE2 GLU A 675 0.388 4.150 -1.602 1.00 0.00 O ATOM 0 H GLU A 675 0.177 2.073 3.257 1.00 0.00 H new ATOM 0 HA GLU A 675 2.797 2.154 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 675 0.266 3.673 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 675 1.710 4.627 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 675 2.335 2.528 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 675 0.590 2.368 0.096 1.00 0.00 H new ATOM 379 N LYS A 676 2.114 3.915 4.834 1.00 0.00 N ATOM 380 CA LYS A 676 2.676 4.761 5.877 1.00 0.00 C ATOM 381 C LYS A 676 3.822 4.065 6.592 1.00 0.00 C ATOM 382 O LYS A 676 4.594 4.714 7.300 1.00 0.00 O ATOM 383 CB LYS A 676 1.593 5.168 6.878 1.00 0.00 C ATOM 384 CG LYS A 676 1.552 6.662 7.153 1.00 0.00 C ATOM 385 CD LYS A 676 0.141 7.135 7.463 1.00 0.00 C ATOM 386 CE LYS A 676 0.129 8.582 7.926 1.00 0.00 C ATOM 387 NZ LYS A 676 -1.082 8.896 8.733 1.00 0.00 N ATOM 0 H LYS A 676 1.189 3.542 5.046 1.00 0.00 H new ATOM 0 HA LYS A 676 3.071 5.659 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 676 0.622 4.850 6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 676 1.759 4.638 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 676 2.207 6.896 7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 676 1.936 7.203 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -0.482 7.031 6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -0.295 6.501 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 676 1.022 8.781 8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 676 0.168 9.241 7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -1.053 9.892 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -1.934 8.730 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -1.107 8.285 9.574 1.00 0.00 H new ATOM 401 N THR A 677 3.968 2.759 6.388 1.00 0.00 N ATOM 402 CA THR A 677 5.073 2.051 7.013 1.00 0.00 C ATOM 403 C THR A 677 6.350 2.382 6.259 1.00 0.00 C ATOM 404 O THR A 677 7.447 2.296 6.803 1.00 0.00 O ATOM 405 CB THR A 677 4.844 0.537 7.050 1.00 0.00 C ATOM 406 OG1 THR A 677 3.597 0.196 6.474 1.00 0.00 O ATOM 407 CG2 THR A 677 4.866 -0.031 8.452 1.00 0.00 C ATOM 0 H THR A 677 3.353 2.185 5.811 1.00 0.00 H new ATOM 0 HA THR A 677 5.153 2.377 8.050 1.00 0.00 H new ATOM 0 HB THR A 677 5.669 0.109 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 677 3.593 0.451 5.528 1.00 0.00 H new ATOM 0 HG21 THR A 677 4.698 -1.107 8.411 1.00 0.00 H new ATOM 0 HG22 THR A 677 5.835 0.168 8.910 1.00 0.00 H new ATOM 0 HG23 THR A 677 4.081 0.437 9.046 1.00 0.00 H new ATOM 415 N LEU A 678 6.192 2.788 4.996 1.00 0.00 N ATOM 416 CA LEU A 678 7.327 3.161 4.165 1.00 0.00 C ATOM 417 C LEU A 678 8.195 4.178 4.893 1.00 0.00 C ATOM 418 O LEU A 678 9.409 4.229 4.698 1.00 0.00 O ATOM 419 CB LEU A 678 6.841 3.742 2.835 1.00 0.00 C ATOM 420 CG LEU A 678 7.858 3.690 1.694 1.00 0.00 C ATOM 421 CD1 LEU A 678 8.372 2.273 1.505 1.00 0.00 C ATOM 422 CD2 LEU A 678 7.239 4.211 0.406 1.00 0.00 C ATOM 0 H LEU A 678 5.287 2.865 4.532 1.00 0.00 H new ATOM 0 HA LEU A 678 7.921 2.270 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 678 5.945 3.203 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 678 6.550 4.780 2.995 1.00 0.00 H new ATOM 0 HG LEU A 678 8.702 4.330 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 678 9.095 2.254 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 678 8.852 1.935 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 678 7.538 1.612 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 678 7.976 4.167 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 678 6.378 3.597 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 678 6.918 5.243 0.548 1.00 0.00 H new ATOM 434 N LYS A 679 7.559 4.983 5.744 1.00 0.00 N ATOM 435 CA LYS A 679 8.277 5.994 6.513 1.00 0.00 C ATOM 436 C LYS A 679 9.062 5.368 7.673 1.00 0.00 C ATOM 437 O LYS A 679 9.684 6.082 8.460 1.00 0.00 O ATOM 438 CB LYS A 679 7.298 7.041 7.049 1.00 0.00 C ATOM 439 CG LYS A 679 7.741 8.472 6.798 1.00 0.00 C ATOM 440 CD LYS A 679 6.628 9.461 7.099 1.00 0.00 C ATOM 441 CE LYS A 679 5.575 9.465 6.002 1.00 0.00 C ATOM 442 NZ LYS A 679 4.949 10.807 5.837 1.00 0.00 N ATOM 0 H LYS A 679 6.554 4.954 5.916 1.00 0.00 H new ATOM 0 HA LYS A 679 8.992 6.474 5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 679 6.323 6.885 6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 679 7.170 6.892 8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 679 8.608 8.699 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 679 8.054 8.580 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 679 6.162 9.207 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 679 7.048 10.461 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 679 6.031 9.159 5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 679 4.804 8.731 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 4.237 10.767 5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 4.492 11.089 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 5.681 11.503 5.588 1.00 0.00 H new ATOM 456 N ASN A 680 9.031 4.037 7.778 1.00 0.00 N ATOM 457 CA ASN A 680 9.741 3.331 8.845 1.00 0.00 C ATOM 458 C ASN A 680 11.187 3.810 8.957 1.00 0.00 C ATOM 459 O ASN A 680 11.833 4.103 7.952 1.00 0.00 O ATOM 460 CB ASN A 680 9.717 1.817 8.600 1.00 0.00 C ATOM 461 CG ASN A 680 10.152 1.029 9.819 1.00 0.00 C ATOM 462 OD1 ASN A 680 10.536 1.602 10.839 1.00 0.00 O ATOM 463 ND2 ASN A 680 10.095 -0.294 9.721 1.00 0.00 N ATOM 0 H ASN A 680 8.522 3.428 7.137 1.00 0.00 H new ATOM 0 HA ASN A 680 9.229 3.550 9.782 1.00 0.00 H new ATOM 0 HB2 ASN A 680 8.710 1.514 8.315 1.00 0.00 H new ATOM 0 HB3 ASN A 680 10.372 1.577 7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 680 10.376 -0.876 10.510 1.00 0.00 H new ATOM 0 HD22 ASN A 680 9.770 -0.728 8.857 1.00 0.00 H new ATOM 470 N LYS A 681 11.685 3.884 10.186 1.00 0.00 N ATOM 471 CA LYS A 681 13.053 4.325 10.431 1.00 0.00 C ATOM 472 C LYS A 681 13.936 3.147 10.834 1.00 0.00 C ATOM 473 O LYS A 681 14.762 2.680 10.048 1.00 0.00 O ATOM 474 CB LYS A 681 13.080 5.395 11.525 1.00 0.00 C ATOM 475 CG LYS A 681 12.529 6.738 11.075 1.00 0.00 C ATOM 476 CD LYS A 681 13.320 7.892 11.669 1.00 0.00 C ATOM 477 CE LYS A 681 14.692 8.016 11.028 1.00 0.00 C ATOM 478 NZ LYS A 681 14.701 9.011 9.921 1.00 0.00 N ATOM 0 H LYS A 681 11.162 3.644 11.028 1.00 0.00 H new ATOM 0 HA LYS A 681 13.443 4.752 9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 681 12.503 5.043 12.380 1.00 0.00 H new ATOM 0 HB3 LYS A 681 14.107 5.529 11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 681 12.557 6.798 9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 681 11.483 6.821 11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 681 12.768 8.822 11.531 1.00 0.00 H new ATOM 0 HD3 LYS A 681 13.431 7.743 12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 681 15.421 8.308 11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 681 15.003 7.044 10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 15.655 9.065 9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 14.024 8.720 9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 14.430 9.944 10.291 1.00 0.00 H new ATOM 492 N GLN A 682 13.756 2.672 12.063 1.00 0.00 N ATOM 493 CA GLN A 682 14.534 1.548 12.572 1.00 0.00 C ATOM 494 C GLN A 682 16.030 1.845 12.507 1.00 0.00 C ATOM 495 O GLN A 682 16.840 0.952 12.254 1.00 0.00 O ATOM 496 CB GLN A 682 14.218 0.280 11.775 1.00 0.00 C ATOM 497 CG GLN A 682 14.118 -0.970 12.635 1.00 0.00 C ATOM 498 CD GLN A 682 12.861 -0.994 13.482 1.00 0.00 C ATOM 499 OE1 GLN A 682 12.575 -0.049 14.217 1.00 0.00 O ATOM 500 NE2 GLN A 682 12.102 -2.079 13.383 1.00 0.00 N ATOM 0 H GLN A 682 13.078 3.049 12.725 1.00 0.00 H new ATOM 0 HA GLN A 682 14.259 1.392 13.615 1.00 0.00 H new ATOM 0 HB2 GLN A 682 13.278 0.421 11.242 1.00 0.00 H new ATOM 0 HB3 GLN A 682 14.992 0.132 11.022 1.00 0.00 H new ATOM 0 HG2 GLN A 682 14.136 -1.851 11.993 1.00 0.00 H new ATOM 0 HG3 GLN A 682 14.991 -1.031 13.285 1.00 0.00 H new ATOM 0 HE21 GLN A 682 12.377 -2.839 12.761 1.00 0.00 H new ATOM 0 HE22 GLN A 682 11.244 -2.152 13.929 1.00 0.00 H new ATOM 509 N ASN A 683 16.388 3.104 12.735 1.00 0.00 N ATOM 510 CA ASN A 683 17.787 3.519 12.703 1.00 0.00 C ATOM 511 C ASN A 683 18.505 3.109 13.985 1.00 0.00 C ATOM 512 O ASN A 683 19.718 2.821 13.916 1.00 0.00 O ATOM 513 CB ASN A 683 17.886 5.032 12.508 1.00 0.00 C ATOM 514 CG ASN A 683 18.978 5.419 11.529 1.00 0.00 C ATOM 515 OD1 ASN A 683 19.919 4.659 11.300 1.00 0.00 O ATOM 516 ND2 ASN A 683 18.859 6.606 10.948 1.00 0.00 N ATOM 517 OXT ASN A 683 17.849 3.083 15.048 1.00 0.00 O ATOM 0 H ASN A 683 15.730 3.855 12.944 1.00 0.00 H new ATOM 0 HA ASN A 683 18.271 3.020 11.863 1.00 0.00 H new ATOM 0 HB2 ASN A 683 16.929 5.413 12.150 1.00 0.00 H new ATOM 0 HB3 ASN A 683 18.079 5.508 13.470 1.00 0.00 H new ATOM 0 HD21 ASN A 683 19.564 6.921 10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 683 18.062 7.204 11.168 1.00 0.00 H new TER 524 ASN A 683