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 654 TYR OH : rot 120:sc= -0.589 USER MOD Set 1.2: A 680 ASN : amide:sc= -2.98! K(o=-3.6!,f=-1.6) USER MOD Single : A 655 SER OG : rot -29:sc= -5.96! USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 661 TYR OH : rot 105:sc= 2.29 USER MOD Single : A 662 TYR OH : rot 21:sc= -4.88! 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 34:sc= -1.96! 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 X(o=0,f=0) USER MOD Single : A 683 ASN : amide:sc= -0.0655 K(o=-0.066,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 16.559 2.164 -1.343 1.00 0.00 N ATOM 2 CA GLY A 651 16.805 2.809 -0.024 1.00 0.00 C ATOM 3 C GLY A 651 15.744 2.460 1.001 1.00 0.00 C ATOM 4 O GLY A 651 15.013 3.331 1.471 1.00 0.00 O ATOM 0 HA2 GLY A 651 17.782 2.502 0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 651 16.839 3.891 -0.153 1.00 0.00 H new ATOM 9 N ALA A 652 15.657 1.179 1.346 1.00 0.00 N ATOM 10 CA ALA A 652 14.677 0.711 2.318 1.00 0.00 C ATOM 11 C ALA A 652 13.259 0.910 1.802 1.00 0.00 C ATOM 12 O ALA A 652 12.722 2.017 1.836 1.00 0.00 O ATOM 13 CB ALA A 652 14.862 1.423 3.648 1.00 0.00 C ATOM 0 H ALA A 652 16.255 0.446 0.965 1.00 0.00 H new ATOM 0 HA ALA A 652 14.837 -0.357 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 652 14.121 1.060 4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 652 15.863 1.224 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 652 14.735 2.496 3.507 1.00 0.00 H new ATOM 19 N ASP A 653 12.656 -0.174 1.332 1.00 0.00 N ATOM 20 CA ASP A 653 11.297 -0.133 0.811 1.00 0.00 C ATOM 21 C ASP A 653 10.591 -1.454 1.075 1.00 0.00 C ATOM 22 O ASP A 653 10.642 -2.376 0.261 1.00 0.00 O ATOM 23 CB ASP A 653 11.305 0.171 -0.688 1.00 0.00 C ATOM 24 CG ASP A 653 11.401 1.656 -0.977 1.00 0.00 C ATOM 25 OD1 ASP A 653 12.447 2.258 -0.654 1.00 0.00 O ATOM 26 OD2 ASP A 653 10.430 2.218 -1.526 1.00 0.00 O ATOM 0 H ASP A 653 13.090 -1.097 1.301 1.00 0.00 H new ATOM 0 HA ASP A 653 10.756 0.663 1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 653 12.145 -0.342 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 653 10.397 -0.226 -1.141 1.00 0.00 H new ATOM 31 N TYR A 654 9.939 -1.537 2.227 1.00 0.00 N ATOM 32 CA TYR A 654 9.225 -2.747 2.616 1.00 0.00 C ATOM 33 C TYR A 654 7.733 -2.568 2.466 1.00 0.00 C ATOM 34 O TYR A 654 7.073 -3.337 1.767 1.00 0.00 O ATOM 35 CB TYR A 654 9.560 -3.133 4.055 1.00 0.00 C ATOM 36 CG TYR A 654 9.578 -1.959 5.014 1.00 0.00 C ATOM 37 CD1 TYR A 654 10.631 -1.054 5.012 1.00 0.00 C ATOM 38 CD2 TYR A 654 8.549 -1.763 5.931 1.00 0.00 C ATOM 39 CE1 TYR A 654 10.661 0.009 5.889 1.00 0.00 C ATOM 40 CE2 TYR A 654 8.575 -0.702 6.816 1.00 0.00 C ATOM 41 CZ TYR A 654 9.634 0.180 6.791 1.00 0.00 C ATOM 42 OH TYR A 654 9.664 1.237 7.671 1.00 0.00 O ATOM 0 H TYR A 654 9.889 -0.780 2.909 1.00 0.00 H new ATOM 0 HA TYR A 654 9.546 -3.549 1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 654 8.831 -3.865 4.404 1.00 0.00 H new ATOM 0 HB3 TYR A 654 10.535 -3.620 4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 654 11.441 -1.185 4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 654 7.717 -2.451 5.951 1.00 0.00 H new ATOM 0 HE1 TYR A 654 11.486 0.705 5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 654 7.770 -0.565 7.523 1.00 0.00 H new ATOM 0 HH TYR A 654 8.877 1.803 7.529 1.00 0.00 H new ATOM 52 N SER A 655 7.206 -1.540 3.101 1.00 0.00 N ATOM 53 CA SER A 655 5.789 -1.259 3.008 1.00 0.00 C ATOM 54 C SER A 655 5.488 -0.564 1.692 1.00 0.00 C ATOM 55 O SER A 655 4.504 0.160 1.567 1.00 0.00 O ATOM 56 CB SER A 655 5.331 -0.407 4.183 1.00 0.00 C ATOM 57 OG SER A 655 6.271 -0.468 5.238 1.00 0.00 O ATOM 0 H SER A 655 7.734 -0.890 3.683 1.00 0.00 H new ATOM 0 HA SER A 655 5.241 -2.200 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 655 5.203 0.627 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 655 4.359 -0.754 4.534 1.00 0.00 H new ATOM 0 HG SER A 655 6.730 -1.333 5.217 1.00 0.00 H new ATOM 63 N ALA A 656 6.343 -0.819 0.709 1.00 0.00 N ATOM 64 CA ALA A 656 6.187 -0.267 -0.615 1.00 0.00 C ATOM 65 C ALA A 656 5.784 -1.373 -1.553 1.00 0.00 C ATOM 66 O ALA A 656 4.912 -1.197 -2.404 1.00 0.00 O ATOM 67 CB ALA A 656 7.471 0.366 -1.108 1.00 0.00 C ATOM 0 H ALA A 656 7.163 -1.416 0.816 1.00 0.00 H new ATOM 0 HA ALA A 656 5.423 0.509 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 656 7.316 0.771 -2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 656 7.763 1.170 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 656 8.259 -0.386 -1.139 1.00 0.00 H new ATOM 73 N GLN A 657 6.412 -2.533 -1.380 1.00 0.00 N ATOM 74 CA GLN A 657 6.080 -3.670 -2.213 1.00 0.00 C ATOM 75 C GLN A 657 4.619 -4.012 -1.998 1.00 0.00 C ATOM 76 O GLN A 657 3.847 -4.128 -2.946 1.00 0.00 O ATOM 77 CB GLN A 657 6.982 -4.871 -1.896 1.00 0.00 C ATOM 78 CG GLN A 657 6.282 -6.220 -2.012 1.00 0.00 C ATOM 79 CD GLN A 657 7.200 -7.383 -1.690 1.00 0.00 C ATOM 80 OE1 GLN A 657 7.378 -7.746 -0.526 1.00 0.00 O ATOM 81 NE2 GLN A 657 7.790 -7.975 -2.722 1.00 0.00 N ATOM 0 H GLN A 657 7.138 -2.703 -0.684 1.00 0.00 H new ATOM 0 HA GLN A 657 6.247 -3.417 -3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.838 -4.858 -2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.373 -4.762 -0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 657 5.426 -6.240 -1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 657 5.894 -6.338 -3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 657 7.614 -7.642 -3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 657 8.419 -8.763 -2.567 1.00 0.00 H new ATOM 90 N TRP A 658 4.243 -4.117 -0.731 1.00 0.00 N ATOM 91 CA TRP A 658 2.865 -4.387 -0.374 1.00 0.00 C ATOM 92 C TRP A 658 2.030 -3.138 -0.622 1.00 0.00 C ATOM 93 O TRP A 658 0.807 -3.156 -0.503 1.00 0.00 O ATOM 94 CB TRP A 658 2.769 -4.820 1.095 1.00 0.00 C ATOM 95 CG TRP A 658 1.952 -6.058 1.311 1.00 0.00 C ATOM 96 CD1 TRP A 658 2.204 -7.063 2.201 1.00 0.00 C ATOM 97 CD2 TRP A 658 0.748 -6.418 0.631 1.00 0.00 C ATOM 98 NE1 TRP A 658 1.227 -8.026 2.113 1.00 0.00 N ATOM 99 CE2 TRP A 658 0.321 -7.651 1.157 1.00 0.00 C ATOM 100 CE3 TRP A 658 -0.009 -5.814 -0.371 1.00 0.00 C ATOM 101 CZ2 TRP A 658 -0.833 -8.290 0.710 1.00 0.00 C ATOM 102 CZ3 TRP A 658 -1.155 -6.447 -0.814 1.00 0.00 C ATOM 103 CH2 TRP A 658 -1.558 -7.674 -0.274 1.00 0.00 C ATOM 0 H TRP A 658 4.875 -4.019 0.063 1.00 0.00 H new ATOM 0 HA TRP A 658 2.483 -5.201 -0.990 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.775 -4.988 1.480 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.337 -4.005 1.676 1.00 0.00 H new ATOM 0 HD1 TRP A 658 3.047 -7.096 2.875 1.00 0.00 H new ATOM 0 HE1 TRP A 658 1.184 -8.880 2.669 1.00 0.00 H new ATOM 0 HE3 TRP A 658 0.295 -4.868 -0.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 -1.144 -9.237 1.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 -1.749 -5.987 -1.590 1.00 0.00 H new ATOM 0 HH2 TRP A 658 -2.459 -8.144 -0.641 1.00 0.00 H new ATOM 114 N ALA A 659 2.699 -2.054 -0.992 1.00 0.00 N ATOM 115 CA ALA A 659 2.014 -0.820 -1.287 1.00 0.00 C ATOM 116 C ALA A 659 2.006 -0.560 -2.788 1.00 0.00 C ATOM 117 O ALA A 659 1.609 0.511 -3.241 1.00 0.00 O ATOM 118 CB ALA A 659 2.617 0.348 -0.521 1.00 0.00 C ATOM 0 H ALA A 659 3.713 -2.012 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 659 0.980 -0.919 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 659 2.077 1.262 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 659 2.541 0.159 0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 659 3.666 0.461 -0.796 1.00 0.00 H new ATOM 124 N GLU A 660 2.428 -1.549 -3.571 1.00 0.00 N ATOM 125 CA GLU A 660 2.419 -1.396 -5.014 1.00 0.00 C ATOM 126 C GLU A 660 1.357 -2.278 -5.638 1.00 0.00 C ATOM 127 O GLU A 660 0.721 -1.884 -6.616 1.00 0.00 O ATOM 128 CB GLU A 660 3.795 -1.679 -5.616 1.00 0.00 C ATOM 129 CG GLU A 660 4.226 -3.132 -5.513 1.00 0.00 C ATOM 130 CD GLU A 660 4.605 -3.727 -6.855 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.147 -2.985 -7.701 1.00 0.00 O ATOM 132 OE2 GLU A 660 4.360 -4.935 -7.060 1.00 0.00 O ATOM 0 H GLU A 660 2.774 -2.448 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 660 2.175 -0.358 -5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.788 -1.386 -6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 660 4.535 -1.055 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.075 -3.207 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 660 3.416 -3.717 -5.077 1.00 0.00 H new ATOM 139 N TYR A 661 1.121 -3.448 -5.059 1.00 0.00 N ATOM 140 CA TYR A 661 0.078 -4.311 -5.582 1.00 0.00 C ATOM 141 C TYR A 661 -1.173 -4.188 -4.732 1.00 0.00 C ATOM 142 O TYR A 661 -2.109 -4.974 -4.868 1.00 0.00 O ATOM 143 CB TYR A 661 0.536 -5.769 -5.701 1.00 0.00 C ATOM 144 CG TYR A 661 1.073 -6.376 -4.428 1.00 0.00 C ATOM 145 CD1 TYR A 661 2.354 -6.084 -3.990 1.00 0.00 C ATOM 146 CD2 TYR A 661 0.307 -7.261 -3.679 1.00 0.00 C ATOM 147 CE1 TYR A 661 2.862 -6.656 -2.838 1.00 0.00 C ATOM 148 CE2 TYR A 661 0.805 -7.833 -2.525 1.00 0.00 C ATOM 149 CZ TYR A 661 2.083 -7.528 -2.109 1.00 0.00 C ATOM 150 OH TYR A 661 2.584 -8.099 -0.962 1.00 0.00 O ATOM 0 H TYR A 661 1.624 -3.812 -4.249 1.00 0.00 H new ATOM 0 HA TYR A 661 -0.154 -3.980 -6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 661 -0.305 -6.371 -6.046 1.00 0.00 H new ATOM 0 HB3 TYR A 661 1.308 -5.830 -6.468 1.00 0.00 H new ATOM 0 HD1 TYR A 661 2.966 -5.398 -4.557 1.00 0.00 H new ATOM 0 HD2 TYR A 661 -0.693 -7.505 -4.004 1.00 0.00 H new ATOM 0 HE1 TYR A 661 3.864 -6.420 -2.511 1.00 0.00 H new ATOM 0 HE2 TYR A 661 0.196 -8.516 -1.951 1.00 0.00 H new ATOM 0 HH TYR A 661 2.180 -7.669 -0.179 1.00 0.00 H new ATOM 160 N TYR A 662 -1.199 -3.165 -3.875 1.00 0.00 N ATOM 161 CA TYR A 662 -2.352 -2.914 -3.040 1.00 0.00 C ATOM 162 C TYR A 662 -3.156 -1.750 -3.608 1.00 0.00 C ATOM 163 O TYR A 662 -4.366 -1.658 -3.415 1.00 0.00 O ATOM 164 CB TYR A 662 -1.933 -2.683 -1.581 1.00 0.00 C ATOM 165 CG TYR A 662 -1.327 -1.329 -1.243 1.00 0.00 C ATOM 166 CD1 TYR A 662 -0.960 -0.411 -2.215 1.00 0.00 C ATOM 167 CD2 TYR A 662 -1.120 -0.981 0.080 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.417 0.812 -1.880 1.00 0.00 C ATOM 169 CE2 TYR A 662 -0.571 0.241 0.423 1.00 0.00 C ATOM 170 CZ TYR A 662 -0.225 1.134 -0.562 1.00 0.00 C ATOM 171 OH TYR A 662 0.322 2.347 -0.230 1.00 0.00 O ATOM 0 H TYR A 662 -0.432 -2.505 -3.749 1.00 0.00 H new ATOM 0 HA TYR A 662 -2.997 -3.793 -3.040 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.809 -2.829 -0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -1.212 -3.454 -1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.102 -0.659 -3.257 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -1.392 -1.677 0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.144 1.514 -2.654 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -0.415 0.492 1.462 1.00 0.00 H new ATOM 0 HH TYR A 662 0.208 2.972 -0.976 1.00 0.00 H new ATOM 181 N ARG A 663 -2.470 -0.872 -4.337 1.00 0.00 N ATOM 182 CA ARG A 663 -3.119 0.273 -4.957 1.00 0.00 C ATOM 183 C ARG A 663 -3.790 -0.131 -6.269 1.00 0.00 C ATOM 184 O ARG A 663 -4.396 0.701 -6.943 1.00 0.00 O ATOM 185 CB ARG A 663 -2.099 1.385 -5.213 1.00 0.00 C ATOM 186 CG ARG A 663 -0.848 0.908 -5.936 1.00 0.00 C ATOM 187 CD ARG A 663 -0.657 1.629 -7.260 1.00 0.00 C ATOM 188 NE ARG A 663 -0.655 3.080 -7.097 1.00 0.00 N ATOM 189 CZ ARG A 663 0.367 3.769 -6.592 1.00 0.00 C ATOM 190 NH1 ARG A 663 1.470 3.142 -6.202 1.00 0.00 N ATOM 191 NH2 ARG A 663 0.285 5.087 -6.476 1.00 0.00 N ATOM 0 H ARG A 663 -1.467 -0.934 -4.511 1.00 0.00 H new ATOM 0 HA ARG A 663 -3.885 0.642 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -2.571 2.172 -5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -1.811 1.829 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 663 0.024 1.072 -5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -0.916 -0.165 -6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 663 0.283 1.314 -7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.453 1.342 -7.947 1.00 0.00 H new ATOM 0 HE ARG A 663 -1.485 3.597 -7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 663 1.538 2.128 -6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 663 2.250 3.674 -5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -0.561 5.574 -6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 663 1.068 5.615 -6.089 1.00 0.00 H new ATOM 205 N SER A 664 -3.673 -1.410 -6.634 1.00 0.00 N ATOM 206 CA SER A 664 -4.267 -1.900 -7.871 1.00 0.00 C ATOM 207 C SER A 664 -5.209 -3.079 -7.630 1.00 0.00 C ATOM 208 O SER A 664 -6.054 -3.383 -8.471 1.00 0.00 O ATOM 209 CB SER A 664 -3.172 -2.304 -8.860 1.00 0.00 C ATOM 210 OG SER A 664 -3.603 -2.128 -10.199 1.00 0.00 O ATOM 0 H SER A 664 -3.176 -2.117 -6.093 1.00 0.00 H new ATOM 0 HA SER A 664 -4.858 -1.086 -8.291 1.00 0.00 H new ATOM 0 HB2 SER A 664 -2.278 -1.707 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 664 -2.897 -3.346 -8.697 1.00 0.00 H new ATOM 0 HG SER A 664 -2.885 -2.392 -10.811 1.00 0.00 H new ATOM 216 N VAL A 665 -5.068 -3.743 -6.486 1.00 0.00 N ATOM 217 CA VAL A 665 -5.921 -4.883 -6.164 1.00 0.00 C ATOM 218 C VAL A 665 -7.133 -4.455 -5.342 1.00 0.00 C ATOM 219 O VAL A 665 -7.668 -5.235 -4.554 1.00 0.00 O ATOM 220 CB VAL A 665 -5.146 -5.974 -5.396 1.00 0.00 C ATOM 221 CG1 VAL A 665 -3.960 -6.461 -6.213 1.00 0.00 C ATOM 222 CG2 VAL A 665 -4.694 -5.460 -4.037 1.00 0.00 C ATOM 0 H VAL A 665 -4.377 -3.514 -5.772 1.00 0.00 H new ATOM 0 HA VAL A 665 -6.261 -5.296 -7.114 1.00 0.00 H new ATOM 0 HB VAL A 665 -5.816 -6.818 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -3.425 -7.230 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -4.314 -6.877 -7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -3.289 -5.626 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 665 -4.150 -6.246 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -4.043 -4.596 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -5.565 -5.169 -3.450 1.00 0.00 H new ATOM 232 N GLY A 666 -7.563 -3.211 -5.532 1.00 0.00 N ATOM 233 CA GLY A 666 -8.710 -2.703 -4.804 1.00 0.00 C ATOM 234 C GLY A 666 -8.376 -2.303 -3.381 1.00 0.00 C ATOM 235 O GLY A 666 -9.275 -2.023 -2.588 1.00 0.00 O ATOM 0 H GLY A 666 -7.137 -2.546 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -9.116 -1.841 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -9.490 -3.464 -4.788 1.00 0.00 H new ATOM 239 N LYS A 667 -7.089 -2.262 -3.052 1.00 0.00 N ATOM 240 CA LYS A 667 -6.669 -1.876 -1.711 1.00 0.00 C ATOM 241 C LYS A 667 -6.095 -0.469 -1.709 1.00 0.00 C ATOM 242 O LYS A 667 -5.352 -0.100 -0.810 1.00 0.00 O ATOM 243 CB LYS A 667 -5.642 -2.863 -1.143 1.00 0.00 C ATOM 244 CG LYS A 667 -6.043 -4.320 -1.305 1.00 0.00 C ATOM 245 CD LYS A 667 -6.727 -4.851 -0.056 1.00 0.00 C ATOM 246 CE LYS A 667 -5.747 -5.580 0.848 1.00 0.00 C ATOM 247 NZ LYS A 667 -6.421 -6.620 1.674 1.00 0.00 N ATOM 0 H LYS A 667 -6.326 -2.489 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 667 -7.552 -1.896 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -4.684 -2.702 -1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.494 -2.651 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -6.713 -4.421 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -5.159 -4.920 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -7.182 -4.025 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -7.533 -5.527 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -4.971 -6.046 0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -5.253 -4.861 1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -5.718 -7.094 2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -7.145 -6.173 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -6.871 -7.320 1.051 1.00 0.00 H new ATOM 261 N ILE A 668 -6.443 0.302 -2.728 1.00 0.00 N ATOM 262 CA ILE A 668 -5.961 1.675 -2.862 1.00 0.00 C ATOM 263 C ILE A 668 -6.290 2.519 -1.634 1.00 0.00 C ATOM 264 O ILE A 668 -5.476 3.334 -1.200 1.00 0.00 O ATOM 265 CB ILE A 668 -6.543 2.352 -4.122 1.00 0.00 C ATOM 266 CG1 ILE A 668 -6.134 3.829 -4.193 1.00 0.00 C ATOM 267 CG2 ILE A 668 -8.059 2.220 -4.142 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.656 4.067 -3.976 1.00 0.00 C ATOM 0 H ILE A 668 -7.062 0.001 -3.481 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.877 1.614 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.135 1.846 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -6.417 4.228 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -6.696 4.388 -3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -8.454 2.702 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -8.332 1.165 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -8.478 2.698 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -4.446 5.135 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -4.369 3.700 -2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.086 3.538 -4.740 1.00 0.00 H new ATOM 280 N GLU A 669 -7.471 2.325 -1.071 1.00 0.00 N ATOM 281 CA GLU A 669 -7.864 3.083 0.111 1.00 0.00 C ATOM 282 C GLU A 669 -7.138 2.550 1.331 1.00 0.00 C ATOM 283 O GLU A 669 -6.409 3.283 1.999 1.00 0.00 O ATOM 284 CB GLU A 669 -9.378 3.029 0.314 1.00 0.00 C ATOM 285 CG GLU A 669 -9.856 3.771 1.551 1.00 0.00 C ATOM 286 CD GLU A 669 -11.262 4.315 1.399 1.00 0.00 C ATOM 287 OE1 GLU A 669 -12.222 3.571 1.691 1.00 0.00 O ATOM 288 OE2 GLU A 669 -11.404 5.486 0.987 1.00 0.00 O ATOM 0 H GLU A 669 -8.168 1.659 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 669 -7.585 4.127 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.868 3.450 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.689 1.987 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -9.821 3.099 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -9.173 4.594 1.763 1.00 0.00 H new ATOM 295 N GLU A 670 -7.302 1.262 1.598 1.00 0.00 N ATOM 296 CA GLU A 670 -6.613 0.642 2.715 1.00 0.00 C ATOM 297 C GLU A 670 -5.111 0.714 2.479 1.00 0.00 C ATOM 298 O GLU A 670 -4.316 0.547 3.403 1.00 0.00 O ATOM 299 CB GLU A 670 -7.057 -0.812 2.886 1.00 0.00 C ATOM 300 CG GLU A 670 -6.528 -1.464 4.154 1.00 0.00 C ATOM 301 CD GLU A 670 -5.358 -2.391 3.888 1.00 0.00 C ATOM 302 OE1 GLU A 670 -4.659 -2.189 2.873 1.00 0.00 O ATOM 303 OE2 GLU A 670 -5.143 -3.320 4.695 1.00 0.00 O ATOM 0 H GLU A 670 -7.900 0.634 1.061 1.00 0.00 H new ATOM 0 HA GLU A 670 -6.863 1.178 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -8.146 -0.852 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -6.723 -1.389 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.220 -0.689 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.331 -2.026 4.631 1.00 0.00 H new ATOM 310 N ALA A 671 -4.728 0.982 1.228 1.00 0.00 N ATOM 311 CA ALA A 671 -3.331 1.094 0.872 1.00 0.00 C ATOM 312 C ALA A 671 -2.678 2.216 1.663 1.00 0.00 C ATOM 313 O ALA A 671 -1.555 2.081 2.142 1.00 0.00 O ATOM 314 CB ALA A 671 -3.175 1.331 -0.629 1.00 0.00 C ATOM 0 H ALA A 671 -5.374 1.124 0.452 1.00 0.00 H new ATOM 0 HA ALA A 671 -2.832 0.157 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.117 1.412 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.612 0.496 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -3.685 2.254 -0.907 1.00 0.00 H new ATOM 320 N GLU A 672 -3.391 3.329 1.807 1.00 0.00 N ATOM 321 CA GLU A 672 -2.862 4.467 2.550 1.00 0.00 C ATOM 322 C GLU A 672 -2.312 4.038 3.911 1.00 0.00 C ATOM 323 O GLU A 672 -1.441 4.704 4.471 1.00 0.00 O ATOM 324 CB GLU A 672 -3.943 5.537 2.730 1.00 0.00 C ATOM 325 CG GLU A 672 -3.555 6.893 2.163 1.00 0.00 C ATOM 326 CD GLU A 672 -4.756 7.779 1.900 1.00 0.00 C ATOM 327 OE1 GLU A 672 -5.580 7.954 2.823 1.00 0.00 O ATOM 328 OE2 GLU A 672 -4.875 8.299 0.770 1.00 0.00 O ATOM 0 H GLU A 672 -4.326 3.467 1.424 1.00 0.00 H new ATOM 0 HA GLU A 672 -2.039 4.887 1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.861 5.200 2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -4.162 5.646 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -2.883 7.395 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -3.003 6.750 1.234 1.00 0.00 H new ATOM 335 N ALA A 673 -2.819 2.929 4.442 1.00 0.00 N ATOM 336 CA ALA A 673 -2.364 2.435 5.738 1.00 0.00 C ATOM 337 C ALA A 673 -0.967 1.839 5.658 1.00 0.00 C ATOM 338 O ALA A 673 -0.038 2.340 6.292 1.00 0.00 O ATOM 339 CB ALA A 673 -3.342 1.413 6.291 1.00 0.00 C ATOM 0 H ALA A 673 -3.540 2.359 3.999 1.00 0.00 H new ATOM 0 HA ALA A 673 -2.320 3.288 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -2.987 1.055 7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -4.321 1.875 6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -3.420 0.574 5.600 1.00 0.00 H new ATOM 345 N ILE A 674 -0.809 0.777 4.877 1.00 0.00 N ATOM 346 CA ILE A 674 0.497 0.153 4.736 1.00 0.00 C ATOM 347 C ILE A 674 1.432 1.073 3.945 1.00 0.00 C ATOM 348 O ILE A 674 2.635 0.830 3.858 1.00 0.00 O ATOM 349 CB ILE A 674 0.412 -1.277 4.119 1.00 0.00 C ATOM 350 CG1 ILE A 674 1.722 -1.686 3.421 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.769 -1.404 3.170 1.00 0.00 C ATOM 352 CD1 ILE A 674 1.805 -1.261 1.970 1.00 0.00 C ATOM 0 H ILE A 674 -1.557 0.337 4.340 1.00 0.00 H new ATOM 0 HA ILE A 674 0.916 0.015 5.733 1.00 0.00 H new ATOM 0 HB ILE A 674 0.256 -1.967 4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 674 2.562 -1.253 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 674 1.830 -2.769 3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -0.798 -2.413 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -1.694 -1.206 3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.663 -0.684 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 674 2.757 -1.586 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 674 0.987 -1.715 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 674 1.731 -0.176 1.904 1.00 0.00 H new ATOM 364 N GLU A 675 0.879 2.169 3.411 1.00 0.00 N ATOM 365 CA GLU A 675 1.679 3.142 2.686 1.00 0.00 C ATOM 366 C GLU A 675 2.475 3.980 3.675 1.00 0.00 C ATOM 367 O GLU A 675 3.587 4.419 3.380 1.00 0.00 O ATOM 368 CB GLU A 675 0.791 4.057 1.842 1.00 0.00 C ATOM 369 CG GLU A 675 1.492 4.622 0.617 1.00 0.00 C ATOM 370 CD GLU A 675 2.343 5.834 0.941 1.00 0.00 C ATOM 371 OE1 GLU A 675 1.811 6.790 1.544 1.00 0.00 O ATOM 372 OE2 GLU A 675 3.542 5.828 0.590 1.00 0.00 O ATOM 0 H GLU A 675 -0.114 2.396 3.471 1.00 0.00 H new ATOM 0 HA GLU A 675 2.357 2.607 2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -0.090 3.501 1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 675 0.439 4.882 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 675 2.120 3.849 0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 675 0.747 4.895 -0.130 1.00 0.00 H new ATOM 379 N LYS A 676 1.897 4.201 4.858 1.00 0.00 N ATOM 380 CA LYS A 676 2.563 4.990 5.888 1.00 0.00 C ATOM 381 C LYS A 676 3.685 4.207 6.560 1.00 0.00 C ATOM 382 O LYS A 676 4.419 4.754 7.383 1.00 0.00 O ATOM 383 CB LYS A 676 1.552 5.463 6.934 1.00 0.00 C ATOM 384 CG LYS A 676 2.009 6.688 7.711 1.00 0.00 C ATOM 385 CD LYS A 676 1.007 7.827 7.599 1.00 0.00 C ATOM 386 CE LYS A 676 0.834 8.549 8.927 1.00 0.00 C ATOM 387 NZ LYS A 676 -0.332 9.474 8.908 1.00 0.00 N ATOM 0 H LYS A 676 0.978 3.847 5.122 1.00 0.00 H new ATOM 0 HA LYS A 676 3.007 5.858 5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 676 0.608 5.689 6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 676 1.359 4.650 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 676 2.146 6.424 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 676 2.978 7.017 7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 676 1.342 8.534 6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 676 0.045 7.436 7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 676 0.704 7.817 9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 676 1.740 9.111 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -0.416 9.946 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -0.196 10.188 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -1.200 8.934 8.715 1.00 0.00 H new ATOM 401 N THR A 677 3.843 2.937 6.196 1.00 0.00 N ATOM 402 CA THR A 677 4.910 2.126 6.765 1.00 0.00 C ATOM 403 C THR A 677 6.112 2.130 5.827 1.00 0.00 C ATOM 404 O THR A 677 7.213 1.729 6.206 1.00 0.00 O ATOM 405 CB THR A 677 4.435 0.694 7.031 1.00 0.00 C ATOM 406 OG1 THR A 677 3.412 0.328 6.124 1.00 0.00 O ATOM 407 CG2 THR A 677 3.895 0.497 8.430 1.00 0.00 C ATOM 0 H THR A 677 3.253 2.454 5.518 1.00 0.00 H new ATOM 0 HA THR A 677 5.203 2.557 7.722 1.00 0.00 H new ATOM 0 HB THR A 677 5.318 0.068 6.904 1.00 0.00 H new ATOM 0 HG1 THR A 677 3.575 0.756 5.257 1.00 0.00 H new ATOM 0 HG21 THR A 677 3.575 -0.538 8.554 1.00 0.00 H new ATOM 0 HG22 THR A 677 4.675 0.726 9.157 1.00 0.00 H new ATOM 0 HG23 THR A 677 3.045 1.161 8.589 1.00 0.00 H new ATOM 415 N LEU A 678 5.889 2.600 4.600 1.00 0.00 N ATOM 416 CA LEU A 678 6.943 2.677 3.602 1.00 0.00 C ATOM 417 C LEU A 678 7.872 3.848 3.904 1.00 0.00 C ATOM 418 O LEU A 678 9.042 3.831 3.529 1.00 0.00 O ATOM 419 CB LEU A 678 6.335 2.824 2.201 1.00 0.00 C ATOM 420 CG LEU A 678 7.318 3.181 1.078 1.00 0.00 C ATOM 421 CD1 LEU A 678 7.619 4.672 1.085 1.00 0.00 C ATOM 422 CD2 LEU A 678 8.602 2.372 1.203 1.00 0.00 C ATOM 0 H LEU A 678 4.981 2.934 4.277 1.00 0.00 H new ATOM 0 HA LEU A 678 7.525 1.756 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 678 5.840 1.888 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 678 5.563 3.593 2.240 1.00 0.00 H new ATOM 0 HG LEU A 678 6.852 2.929 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 678 8.318 4.906 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 678 6.695 5.230 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 678 8.060 4.950 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 678 9.283 2.643 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 678 9.074 2.584 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 678 8.370 1.309 1.140 1.00 0.00 H new ATOM 434 N LYS A 679 7.340 4.864 4.582 1.00 0.00 N ATOM 435 CA LYS A 679 8.130 6.040 4.930 1.00 0.00 C ATOM 436 C LYS A 679 9.267 5.674 5.883 1.00 0.00 C ATOM 437 O LYS A 679 9.253 6.048 7.057 1.00 0.00 O ATOM 438 CB LYS A 679 7.238 7.108 5.568 1.00 0.00 C ATOM 439 CG LYS A 679 6.637 8.078 4.562 1.00 0.00 C ATOM 440 CD LYS A 679 6.583 9.494 5.114 1.00 0.00 C ATOM 441 CE LYS A 679 5.159 9.914 5.440 1.00 0.00 C ATOM 442 NZ LYS A 679 4.727 9.427 6.780 1.00 0.00 N ATOM 0 H LYS A 679 6.371 4.895 4.899 1.00 0.00 H new ATOM 0 HA LYS A 679 8.565 6.438 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 679 6.432 6.618 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 679 7.822 7.669 6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 679 7.228 8.066 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 679 5.631 7.752 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 679 7.197 9.558 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 679 7.009 10.185 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 679 5.085 11.001 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 679 4.483 9.526 4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 3.751 9.735 6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 4.772 8.388 6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 5.356 9.817 7.511 1.00 0.00 H new ATOM 456 N ASN A 680 10.253 4.942 5.371 1.00 0.00 N ATOM 457 CA ASN A 680 11.398 4.528 6.174 1.00 0.00 C ATOM 458 C ASN A 680 12.659 5.267 5.740 1.00 0.00 C ATOM 459 O ASN A 680 13.320 5.917 6.550 1.00 0.00 O ATOM 460 CB ASN A 680 11.618 3.015 6.067 1.00 0.00 C ATOM 461 CG ASN A 680 12.527 2.492 7.162 1.00 0.00 C ATOM 462 OD1 ASN A 680 12.415 2.889 8.322 1.00 0.00 O ATOM 463 ND2 ASN A 680 13.437 1.595 6.798 1.00 0.00 N ATOM 0 H ASN A 680 10.281 4.623 4.402 1.00 0.00 H new ATOM 0 HA ASN A 680 11.185 4.779 7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 680 10.656 2.505 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 680 12.050 2.780 5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 680 14.077 1.208 7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 680 13.495 1.293 5.825 1.00 0.00 H new ATOM 470 N LYS A 681 12.987 5.165 4.455 1.00 0.00 N ATOM 471 CA LYS A 681 14.169 5.824 3.914 1.00 0.00 C ATOM 472 C LYS A 681 13.952 6.214 2.454 1.00 0.00 C ATOM 473 O LYS A 681 13.349 5.465 1.686 1.00 0.00 O ATOM 474 CB LYS A 681 15.390 4.910 4.033 1.00 0.00 C ATOM 475 CG LYS A 681 15.868 4.716 5.463 1.00 0.00 C ATOM 476 CD LYS A 681 16.589 5.950 5.982 1.00 0.00 C ATOM 477 CE LYS A 681 17.511 5.608 7.141 1.00 0.00 C ATOM 478 NZ LYS A 681 18.593 6.619 7.307 1.00 0.00 N ATOM 0 H LYS A 681 12.450 4.632 3.770 1.00 0.00 H new ATOM 0 HA LYS A 681 14.346 6.730 4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 681 15.148 3.937 3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 681 16.204 5.326 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 681 15.016 4.494 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 681 16.536 3.856 5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 681 17.168 6.401 5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 681 15.858 6.692 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 681 16.930 5.544 8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 681 17.954 4.626 6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 19.200 6.350 8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 19.164 6.662 6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 18.171 7.552 7.491 1.00 0.00 H new ATOM 492 N GLN A 682 14.446 7.390 2.081 1.00 0.00 N ATOM 493 CA GLN A 682 14.306 7.878 0.714 1.00 0.00 C ATOM 494 C GLN A 682 15.618 8.471 0.210 1.00 0.00 C ATOM 495 O GLN A 682 15.816 9.685 0.243 1.00 0.00 O ATOM 496 CB GLN A 682 13.197 8.928 0.638 1.00 0.00 C ATOM 497 CG GLN A 682 12.495 8.974 -0.709 1.00 0.00 C ATOM 498 CD GLN A 682 11.769 10.284 -0.944 1.00 0.00 C ATOM 499 OE1 GLN A 682 12.392 11.316 -1.188 1.00 0.00 O ATOM 500 NE2 GLN A 682 10.443 10.247 -0.871 1.00 0.00 N ATOM 0 H GLN A 682 14.946 8.022 2.706 1.00 0.00 H new ATOM 0 HA GLN A 682 14.043 7.033 0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 682 12.461 8.724 1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 682 13.622 9.909 0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 682 13.228 8.822 -1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 682 11.782 8.152 -0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 682 9.968 9.368 -0.666 1.00 0.00 H new ATOM 0 HE22 GLN A 682 9.900 11.098 -1.020 1.00 0.00 H new ATOM 509 N ASN A 683 16.511 7.604 -0.257 1.00 0.00 N ATOM 510 CA ASN A 683 17.804 8.042 -0.770 1.00 0.00 C ATOM 511 C ASN A 683 18.496 6.916 -1.531 1.00 0.00 C ATOM 512 O ASN A 683 18.057 5.754 -1.395 1.00 0.00 O ATOM 513 CB ASN A 683 18.695 8.521 0.377 1.00 0.00 C ATOM 514 CG ASN A 683 19.807 9.436 -0.098 1.00 0.00 C ATOM 515 OD1 ASN A 683 19.670 10.125 -1.109 1.00 0.00 O ATOM 516 ND2 ASN A 683 20.916 9.448 0.632 1.00 0.00 N ATOM 517 OXT ASN A 683 19.472 7.205 -2.256 1.00 0.00 O ATOM 0 H ASN A 683 16.363 6.595 -0.291 1.00 0.00 H new ATOM 0 HA ASN A 683 17.633 8.870 -1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 683 18.085 9.046 1.112 1.00 0.00 H new ATOM 0 HB3 ASN A 683 19.129 7.658 0.881 1.00 0.00 H new ATOM 0 HD21 ASN A 683 21.698 10.045 0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 683 20.986 8.860 1.463 1.00 0.00 H new TER 524 ASN A 683