USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=8 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 Single : A 654 TYR OH : rot 132:sc= 1.16 USER MOD Single : A 655 SER OG : rot -44:sc= -6.34! USER MOD Single : A 657 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 661 TYR OH : rot 180:sc= 0 USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 SER OG : rot 17:sc= 0.198 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.013) USER MOD Single : A 677 THR OG1 : rot 178:sc= -3.09 USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -0.883 X(o=-0.88,f=-0.46!) USER MOD Single : A 681 LYS NZ :NH3+ -169:sc=-0.000407 (180deg=-0.077) USER MOD Single : A 682 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 683 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 15.444 5.012 4.193 1.00 0.00 N ATOM 2 CA GLY A 651 15.861 4.759 2.786 1.00 0.00 C ATOM 3 C GLY A 651 15.893 3.281 2.448 1.00 0.00 C ATOM 4 O GLY A 651 16.899 2.773 1.951 1.00 0.00 O ATOM 0 HA2 GLY A 651 15.175 5.269 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 651 16.849 5.188 2.620 1.00 0.00 H new ATOM 9 N ALA A 652 14.791 2.591 2.717 1.00 0.00 N ATOM 10 CA ALA A 652 14.698 1.162 2.439 1.00 0.00 C ATOM 11 C ALA A 652 13.461 0.844 1.608 1.00 0.00 C ATOM 12 O ALA A 652 13.524 0.074 0.649 1.00 0.00 O ATOM 13 CB ALA A 652 14.682 0.371 3.738 1.00 0.00 C ATOM 0 H ALA A 652 13.950 2.997 3.127 1.00 0.00 H new ATOM 0 HA ALA A 652 15.576 0.872 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 652 14.612 -0.694 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 652 15.599 0.566 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 652 13.823 0.673 4.337 1.00 0.00 H new ATOM 19 N ASP A 653 12.337 1.441 1.983 1.00 0.00 N ATOM 20 CA ASP A 653 11.080 1.226 1.276 1.00 0.00 C ATOM 21 C ASP A 653 10.656 -0.236 1.359 1.00 0.00 C ATOM 22 O ASP A 653 11.159 -1.083 0.620 1.00 0.00 O ATOM 23 CB ASP A 653 11.212 1.650 -0.188 1.00 0.00 C ATOM 24 CG ASP A 653 10.914 3.122 -0.394 1.00 0.00 C ATOM 25 OD1 ASP A 653 11.560 3.957 0.273 1.00 0.00 O ATOM 26 OD2 ASP A 653 10.036 3.440 -1.223 1.00 0.00 O ATOM 0 H ASP A 653 12.270 2.080 2.775 1.00 0.00 H new ATOM 0 HA ASP A 653 10.314 1.837 1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 653 12.222 1.435 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 653 10.532 1.056 -0.798 1.00 0.00 H new ATOM 31 N TYR A 654 9.728 -0.525 2.265 1.00 0.00 N ATOM 32 CA TYR A 654 9.237 -1.887 2.448 1.00 0.00 C ATOM 33 C TYR A 654 7.730 -1.942 2.345 1.00 0.00 C ATOM 34 O TYR A 654 7.176 -2.701 1.550 1.00 0.00 O ATOM 35 CB TYR A 654 9.670 -2.432 3.807 1.00 0.00 C ATOM 36 CG TYR A 654 9.613 -1.401 4.912 1.00 0.00 C ATOM 37 CD1 TYR A 654 10.594 -0.425 5.013 1.00 0.00 C ATOM 38 CD2 TYR A 654 8.588 -1.402 5.855 1.00 0.00 C ATOM 39 CE1 TYR A 654 10.559 0.520 6.019 1.00 0.00 C ATOM 40 CE2 TYR A 654 8.550 -0.460 6.865 1.00 0.00 C ATOM 41 CZ TYR A 654 9.537 0.497 6.943 1.00 0.00 C ATOM 42 OH TYR A 654 9.501 1.437 7.948 1.00 0.00 O ATOM 0 H TYR A 654 9.301 0.164 2.884 1.00 0.00 H new ATOM 0 HA TYR A 654 9.666 -2.501 1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 654 9.032 -3.275 4.073 1.00 0.00 H new ATOM 0 HB3 TYR A 654 10.688 -2.815 3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 654 11.398 -0.404 4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 654 7.811 -2.150 5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 654 11.330 1.274 6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 654 7.750 -0.474 7.590 1.00 0.00 H new ATOM 0 HH TYR A 654 8.602 1.824 8.001 1.00 0.00 H new ATOM 52 N SER A 655 7.069 -1.128 3.146 1.00 0.00 N ATOM 53 CA SER A 655 5.620 -1.079 3.136 1.00 0.00 C ATOM 54 C SER A 655 5.116 -0.334 1.911 1.00 0.00 C ATOM 55 O SER A 655 3.984 0.141 1.876 1.00 0.00 O ATOM 56 CB SER A 655 5.106 -0.427 4.409 1.00 0.00 C ATOM 57 OG SER A 655 6.102 -0.440 5.413 1.00 0.00 O ATOM 0 H SER A 655 7.511 -0.493 3.810 1.00 0.00 H new ATOM 0 HA SER A 655 5.240 -2.100 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 655 4.804 0.600 4.202 1.00 0.00 H new ATOM 0 HB3 SER A 655 4.220 -0.954 4.762 1.00 0.00 H new ATOM 0 HG SER A 655 6.529 -1.322 5.439 1.00 0.00 H new ATOM 63 N ALA A 656 5.966 -0.260 0.900 1.00 0.00 N ATOM 64 CA ALA A 656 5.626 0.389 -0.343 1.00 0.00 C ATOM 65 C ALA A 656 5.388 -0.667 -1.392 1.00 0.00 C ATOM 66 O ALA A 656 4.439 -0.588 -2.173 1.00 0.00 O ATOM 67 CB ALA A 656 6.733 1.322 -0.798 1.00 0.00 C ATOM 0 H ALA A 656 6.908 -0.649 0.924 1.00 0.00 H new ATOM 0 HA ALA A 656 4.726 0.986 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 656 6.447 1.796 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 656 6.897 2.088 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 656 7.651 0.753 -0.944 1.00 0.00 H new ATOM 73 N GLN A 657 6.252 -1.678 -1.395 1.00 0.00 N ATOM 74 CA GLN A 657 6.109 -2.760 -2.346 1.00 0.00 C ATOM 75 C GLN A 657 4.769 -3.442 -2.114 1.00 0.00 C ATOM 76 O GLN A 657 4.086 -3.850 -3.054 1.00 0.00 O ATOM 77 CB GLN A 657 7.260 -3.768 -2.209 1.00 0.00 C ATOM 78 CG GLN A 657 6.860 -5.210 -2.500 1.00 0.00 C ATOM 79 CD GLN A 657 8.021 -6.176 -2.368 1.00 0.00 C ATOM 80 OE1 GLN A 657 8.993 -5.904 -1.663 1.00 0.00 O ATOM 81 NE2 GLN A 657 7.925 -7.312 -3.048 1.00 0.00 N ATOM 0 H GLN A 657 7.044 -1.765 -0.758 1.00 0.00 H new ATOM 0 HA GLN A 657 6.146 -2.358 -3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 657 8.063 -3.481 -2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.661 -3.710 -1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 657 6.065 -5.508 -1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 657 6.453 -5.273 -3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 657 7.101 -7.496 -3.620 1.00 0.00 H new ATOM 0 HE22 GLN A 657 8.675 -8.001 -2.998 1.00 0.00 H new ATOM 90 N TRP A 658 4.401 -3.542 -0.844 1.00 0.00 N ATOM 91 CA TRP A 658 3.143 -4.150 -0.451 1.00 0.00 C ATOM 92 C TRP A 658 1.991 -3.201 -0.761 1.00 0.00 C ATOM 93 O TRP A 658 0.914 -3.625 -1.177 1.00 0.00 O ATOM 94 CB TRP A 658 3.179 -4.498 1.043 1.00 0.00 C ATOM 95 CG TRP A 658 2.903 -5.942 1.322 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.549 -6.755 2.209 1.00 0.00 C ATOM 97 CD2 TRP A 658 1.900 -6.740 0.701 1.00 0.00 C ATOM 98 NE1 TRP A 658 3.000 -8.016 2.172 1.00 0.00 N ATOM 99 CE2 TRP A 658 1.985 -8.030 1.252 1.00 0.00 C ATOM 100 CE3 TRP A 658 0.941 -6.479 -0.269 1.00 0.00 C ATOM 101 CZ2 TRP A 658 1.136 -9.061 0.858 1.00 0.00 C ATOM 102 CZ3 TRP A 658 0.095 -7.499 -0.663 1.00 0.00 C ATOM 103 CH2 TRP A 658 0.198 -8.778 -0.100 1.00 0.00 C ATOM 0 H TRP A 658 4.964 -3.205 -0.063 1.00 0.00 H new ATOM 0 HA TRP A 658 2.991 -5.070 -1.015 1.00 0.00 H new ATOM 0 HB2 TRP A 658 4.158 -4.238 1.446 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.445 -3.887 1.569 1.00 0.00 H new ATOM 0 HD1 TRP A 658 4.368 -6.453 2.845 1.00 0.00 H new ATOM 0 HE1 TRP A 658 3.300 -8.811 2.737 1.00 0.00 H new ATOM 0 HE3 TRP A 658 0.858 -5.496 -0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 1.214 -10.047 1.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 -0.656 -7.307 -1.415 1.00 0.00 H new ATOM 0 HH2 TRP A 658 -0.475 -9.556 -0.428 1.00 0.00 H new ATOM 114 N ALA A 659 2.232 -1.910 -0.581 1.00 0.00 N ATOM 115 CA ALA A 659 1.214 -0.912 -0.865 1.00 0.00 C ATOM 116 C ALA A 659 0.992 -0.782 -2.370 1.00 0.00 C ATOM 117 O ALA A 659 0.013 -0.178 -2.810 1.00 0.00 O ATOM 118 CB ALA A 659 1.596 0.431 -0.256 1.00 0.00 C ATOM 0 H ALA A 659 3.117 -1.532 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 659 0.278 -1.238 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 659 0.822 1.165 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 659 1.695 0.326 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 659 2.545 0.765 -0.677 1.00 0.00 H new ATOM 124 N GLU A 660 1.903 -1.357 -3.158 1.00 0.00 N ATOM 125 CA GLU A 660 1.795 -1.306 -4.609 1.00 0.00 C ATOM 126 C GLU A 660 0.707 -2.249 -5.108 1.00 0.00 C ATOM 127 O GLU A 660 -0.024 -1.927 -6.045 1.00 0.00 O ATOM 128 CB GLU A 660 3.134 -1.664 -5.257 1.00 0.00 C ATOM 129 CG GLU A 660 4.172 -0.559 -5.154 1.00 0.00 C ATOM 130 CD GLU A 660 4.882 -0.301 -6.469 1.00 0.00 C ATOM 131 OE1 GLU A 660 4.333 0.450 -7.302 1.00 0.00 O ATOM 132 OE2 GLU A 660 5.986 -0.850 -6.666 1.00 0.00 O ATOM 0 H GLU A 660 2.720 -1.861 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 660 1.525 -0.288 -4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.527 -2.565 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 660 2.968 -1.899 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 660 3.688 0.359 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.907 -0.826 -4.395 1.00 0.00 H new ATOM 139 N TYR A 661 0.596 -3.412 -4.475 1.00 0.00 N ATOM 140 CA TYR A 661 -0.416 -4.389 -4.861 1.00 0.00 C ATOM 141 C TYR A 661 -1.808 -3.843 -4.592 1.00 0.00 C ATOM 142 O TYR A 661 -2.672 -3.855 -5.470 1.00 0.00 O ATOM 143 CB TYR A 661 -0.216 -5.701 -4.104 1.00 0.00 C ATOM 144 CG TYR A 661 0.998 -6.482 -4.550 1.00 0.00 C ATOM 145 CD1 TYR A 661 2.279 -6.053 -4.229 1.00 0.00 C ATOM 146 CD2 TYR A 661 0.861 -7.650 -5.289 1.00 0.00 C ATOM 147 CE1 TYR A 661 3.391 -6.766 -4.634 1.00 0.00 C ATOM 148 CE2 TYR A 661 1.968 -8.369 -5.697 1.00 0.00 C ATOM 149 CZ TYR A 661 3.231 -7.923 -5.367 1.00 0.00 C ATOM 150 OH TYR A 661 4.336 -8.636 -5.771 1.00 0.00 O ATOM 0 H TYR A 661 1.190 -3.700 -3.697 1.00 0.00 H new ATOM 0 HA TYR A 661 -0.312 -4.583 -5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 661 -0.127 -5.486 -3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 661 -1.103 -6.322 -4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 661 2.408 -5.148 -3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 661 -0.127 -8.002 -5.549 1.00 0.00 H new ATOM 0 HE1 TYR A 661 4.381 -6.419 -4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 661 1.845 -9.275 -6.271 1.00 0.00 H new ATOM 0 HH TYR A 661 4.049 -9.425 -6.277 1.00 0.00 H new ATOM 160 N TYR A 662 -2.015 -3.350 -3.379 1.00 0.00 N ATOM 161 CA TYR A 662 -3.300 -2.783 -2.997 1.00 0.00 C ATOM 162 C TYR A 662 -3.730 -1.723 -4.002 1.00 0.00 C ATOM 163 O TYR A 662 -4.918 -1.541 -4.264 1.00 0.00 O ATOM 164 CB TYR A 662 -3.206 -2.156 -1.612 1.00 0.00 C ATOM 165 CG TYR A 662 -3.042 -3.148 -0.490 1.00 0.00 C ATOM 166 CD1 TYR A 662 -3.684 -4.380 -0.509 1.00 0.00 C ATOM 167 CD2 TYR A 662 -2.246 -2.841 0.601 1.00 0.00 C ATOM 168 CE1 TYR A 662 -3.532 -5.278 0.529 1.00 0.00 C ATOM 169 CE2 TYR A 662 -2.090 -3.729 1.643 1.00 0.00 C ATOM 170 CZ TYR A 662 -2.734 -4.948 1.605 1.00 0.00 C ATOM 171 OH TYR A 662 -2.581 -5.838 2.643 1.00 0.00 O ATOM 0 H TYR A 662 -1.309 -3.331 -2.643 1.00 0.00 H new ATOM 0 HA TYR A 662 -4.039 -3.584 -2.982 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.363 -1.465 -1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -4.105 -1.567 -1.431 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -4.312 -4.639 -1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -1.738 -1.888 0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -4.035 -6.233 0.499 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -1.466 -3.471 2.486 1.00 0.00 H new ATOM 0 HH TYR A 662 -1.987 -5.452 3.320 1.00 0.00 H new ATOM 181 N ARG A 663 -2.746 -1.025 -4.559 1.00 0.00 N ATOM 182 CA ARG A 663 -3.009 0.021 -5.534 1.00 0.00 C ATOM 183 C ARG A 663 -3.593 -0.555 -6.821 1.00 0.00 C ATOM 184 O ARG A 663 -4.086 0.187 -7.670 1.00 0.00 O ATOM 185 CB ARG A 663 -1.725 0.796 -5.838 1.00 0.00 C ATOM 186 CG ARG A 663 -1.765 2.242 -5.375 1.00 0.00 C ATOM 187 CD ARG A 663 -1.050 2.422 -4.044 1.00 0.00 C ATOM 188 NE ARG A 663 0.394 2.557 -4.213 1.00 0.00 N ATOM 189 CZ ARG A 663 0.980 3.617 -4.766 1.00 0.00 C ATOM 190 NH1 ARG A 663 0.250 4.637 -5.201 1.00 0.00 N ATOM 191 NH2 ARG A 663 2.299 3.658 -4.884 1.00 0.00 N ATOM 0 H ARG A 663 -1.758 -1.167 -4.350 1.00 0.00 H new ATOM 0 HA ARG A 663 -3.744 0.702 -5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -0.885 0.293 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -1.541 0.772 -6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -1.300 2.879 -6.128 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -2.801 2.566 -5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -1.440 3.306 -3.539 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.261 1.568 -3.400 1.00 0.00 H new ATOM 0 HE ARG A 663 0.989 1.795 -3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -0.766 4.612 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 663 0.705 5.446 -5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 663 2.865 2.878 -4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 663 2.748 4.470 -5.308 1.00 0.00 H new ATOM 205 N SER A 664 -3.542 -1.878 -6.966 1.00 0.00 N ATOM 206 CA SER A 664 -4.076 -2.522 -8.157 1.00 0.00 C ATOM 207 C SER A 664 -4.912 -3.747 -7.806 1.00 0.00 C ATOM 208 O SER A 664 -5.156 -4.608 -8.652 1.00 0.00 O ATOM 209 CB SER A 664 -2.945 -2.911 -9.110 1.00 0.00 C ATOM 210 OG SER A 664 -1.856 -3.478 -8.405 1.00 0.00 O ATOM 0 H SER A 664 -3.140 -2.516 -6.279 1.00 0.00 H new ATOM 0 HA SER A 664 -4.727 -1.803 -8.654 1.00 0.00 H new ATOM 0 HB2 SER A 664 -3.315 -3.623 -9.847 1.00 0.00 H new ATOM 0 HB3 SER A 664 -2.609 -2.031 -9.658 1.00 0.00 H new ATOM 0 HG SER A 664 -2.151 -3.749 -7.511 1.00 0.00 H new ATOM 216 N VAL A 665 -5.366 -3.805 -6.564 1.00 0.00 N ATOM 217 CA VAL A 665 -6.197 -4.907 -6.103 1.00 0.00 C ATOM 218 C VAL A 665 -7.455 -4.362 -5.438 1.00 0.00 C ATOM 219 O VAL A 665 -8.077 -5.030 -4.613 1.00 0.00 O ATOM 220 CB VAL A 665 -5.443 -5.811 -5.107 1.00 0.00 C ATOM 221 CG1 VAL A 665 -6.262 -7.053 -4.786 1.00 0.00 C ATOM 222 CG2 VAL A 665 -4.077 -6.195 -5.656 1.00 0.00 C ATOM 0 H VAL A 665 -5.172 -3.099 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 665 -6.463 -5.508 -6.973 1.00 0.00 H new ATOM 0 HB VAL A 665 -5.293 -5.252 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -5.714 -7.679 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -7.213 -6.757 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -6.446 -7.614 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 665 -3.562 -6.833 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -4.201 -6.733 -6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -3.488 -5.294 -5.829 1.00 0.00 H new ATOM 232 N GLY A 666 -7.811 -3.127 -5.794 1.00 0.00 N ATOM 233 CA GLY A 666 -8.977 -2.495 -5.212 1.00 0.00 C ATOM 234 C GLY A 666 -8.783 -2.225 -3.745 1.00 0.00 C ATOM 235 O GLY A 666 -9.748 -2.114 -2.989 1.00 0.00 O ATOM 0 H GLY A 666 -7.310 -2.557 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -9.182 -1.559 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -9.848 -3.135 -5.353 1.00 0.00 H new ATOM 239 N LYS A 667 -7.525 -2.105 -3.342 1.00 0.00 N ATOM 240 CA LYS A 667 -7.200 -1.827 -1.955 1.00 0.00 C ATOM 241 C LYS A 667 -6.342 -0.579 -1.846 1.00 0.00 C ATOM 242 O LYS A 667 -5.733 -0.311 -0.809 1.00 0.00 O ATOM 243 CB LYS A 667 -6.500 -3.025 -1.310 1.00 0.00 C ATOM 244 CG LYS A 667 -6.501 -2.982 0.210 1.00 0.00 C ATOM 245 CD LYS A 667 -7.291 -4.138 0.803 1.00 0.00 C ATOM 246 CE LYS A 667 -8.785 -3.977 0.560 1.00 0.00 C ATOM 247 NZ LYS A 667 -9.516 -3.625 1.809 1.00 0.00 N ATOM 0 H LYS A 667 -6.716 -2.196 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 667 -8.131 -1.649 -1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -6.988 -3.942 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.470 -3.067 -1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.475 -3.016 0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -6.928 -2.038 0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -6.949 -5.076 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -7.100 -4.198 1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -8.950 -3.201 -0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -9.188 -4.904 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -10.530 -3.524 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -9.380 -4.377 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -9.149 -2.727 2.185 1.00 0.00 H new ATOM 261 N ILE A 668 -6.319 0.191 -2.927 1.00 0.00 N ATOM 262 CA ILE A 668 -5.557 1.432 -2.978 1.00 0.00 C ATOM 263 C ILE A 668 -5.780 2.249 -1.712 1.00 0.00 C ATOM 264 O ILE A 668 -4.878 2.936 -1.232 1.00 0.00 O ATOM 265 CB ILE A 668 -5.944 2.284 -4.211 1.00 0.00 C ATOM 266 CG1 ILE A 668 -7.308 2.955 -4.000 1.00 0.00 C ATOM 267 CG2 ILE A 668 -5.964 1.424 -5.469 1.00 0.00 C ATOM 268 CD1 ILE A 668 -7.777 3.765 -5.191 1.00 0.00 C ATOM 0 H ILE A 668 -6.824 -0.025 -3.787 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.504 1.163 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 668 -5.193 3.064 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -8.050 2.188 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -7.252 3.606 -3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.238 2.039 -6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -4.976 0.994 -5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -6.693 0.622 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -8.747 4.209 -4.969 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -7.056 4.555 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -7.866 3.114 -6.061 1.00 0.00 H new ATOM 280 N GLU A 669 -6.990 2.159 -1.175 1.00 0.00 N ATOM 281 CA GLU A 669 -7.334 2.884 0.042 1.00 0.00 C ATOM 282 C GLU A 669 -6.565 2.320 1.228 1.00 0.00 C ATOM 283 O GLU A 669 -5.761 3.019 1.845 1.00 0.00 O ATOM 284 CB GLU A 669 -8.839 2.812 0.303 1.00 0.00 C ATOM 285 CG GLU A 669 -9.396 4.044 0.998 1.00 0.00 C ATOM 286 CD GLU A 669 -10.888 4.207 0.787 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.341 4.079 -0.370 1.00 0.00 O ATOM 288 OE2 GLU A 669 -11.603 4.463 1.779 1.00 0.00 O ATOM 0 H GLU A 669 -7.747 1.594 -1.561 1.00 0.00 H new ATOM 0 HA GLU A 669 -7.056 3.930 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.358 2.675 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.052 1.934 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -9.189 3.979 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -8.881 4.930 0.627 1.00 0.00 H new ATOM 295 N GLU A 670 -6.801 1.051 1.535 1.00 0.00 N ATOM 296 CA GLU A 670 -6.109 0.402 2.639 1.00 0.00 C ATOM 297 C GLU A 670 -4.602 0.454 2.421 1.00 0.00 C ATOM 298 O GLU A 670 -3.824 0.362 3.372 1.00 0.00 O ATOM 299 CB GLU A 670 -6.570 -1.049 2.784 1.00 0.00 C ATOM 300 CG GLU A 670 -6.628 -1.529 4.225 1.00 0.00 C ATOM 301 CD GLU A 670 -5.374 -2.272 4.643 1.00 0.00 C ATOM 302 OE1 GLU A 670 -4.875 -3.090 3.842 1.00 0.00 O ATOM 303 OE2 GLU A 670 -4.892 -2.037 5.770 1.00 0.00 O ATOM 0 H GLU A 670 -7.462 0.454 1.038 1.00 0.00 H new ATOM 0 HA GLU A 670 -6.351 0.936 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.558 -1.154 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.894 -1.694 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.775 -0.673 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.492 -2.181 4.352 1.00 0.00 H new ATOM 310 N ALA A 671 -4.193 0.617 1.163 1.00 0.00 N ATOM 311 CA ALA A 671 -2.781 0.696 0.832 1.00 0.00 C ATOM 312 C ALA A 671 -2.153 1.927 1.469 1.00 0.00 C ATOM 313 O ALA A 671 -0.999 1.895 1.889 1.00 0.00 O ATOM 314 CB ALA A 671 -2.592 0.733 -0.676 1.00 0.00 C ATOM 0 H ALA A 671 -4.821 0.696 0.363 1.00 0.00 H new ATOM 0 HA ALA A 671 -2.285 -0.191 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -1.529 0.792 -0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.010 -0.172 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -3.102 1.605 -1.085 1.00 0.00 H new ATOM 320 N GLU A 672 -2.916 3.016 1.537 1.00 0.00 N ATOM 321 CA GLU A 672 -2.415 4.254 2.126 1.00 0.00 C ATOM 322 C GLU A 672 -1.837 4.001 3.513 1.00 0.00 C ATOM 323 O GLU A 672 -0.805 4.564 3.879 1.00 0.00 O ATOM 324 CB GLU A 672 -3.525 5.303 2.200 1.00 0.00 C ATOM 325 CG GLU A 672 -3.543 6.252 1.013 1.00 0.00 C ATOM 326 CD GLU A 672 -4.946 6.532 0.509 1.00 0.00 C ATOM 327 OE1 GLU A 672 -5.570 5.606 -0.053 1.00 0.00 O ATOM 328 OE2 GLU A 672 -5.420 7.675 0.675 1.00 0.00 O ATOM 0 H GLU A 672 -3.875 3.066 1.194 1.00 0.00 H new ATOM 0 HA GLU A 672 -1.619 4.633 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.488 4.797 2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -3.406 5.882 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -3.069 7.192 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -2.949 5.827 0.204 1.00 0.00 H new ATOM 335 N ALA A 673 -2.500 3.142 4.275 1.00 0.00 N ATOM 336 CA ALA A 673 -2.040 2.805 5.615 1.00 0.00 C ATOM 337 C ALA A 673 -0.716 2.066 5.550 1.00 0.00 C ATOM 338 O ALA A 673 0.308 2.545 6.037 1.00 0.00 O ATOM 339 CB ALA A 673 -3.074 1.950 6.327 1.00 0.00 C ATOM 0 H ALA A 673 -3.356 2.667 3.989 1.00 0.00 H new ATOM 0 HA ALA A 673 -1.900 3.730 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -2.717 1.705 7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -4.012 2.500 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -3.235 1.030 5.764 1.00 0.00 H new ATOM 345 N ILE A 674 -0.750 0.894 4.932 1.00 0.00 N ATOM 346 CA ILE A 674 0.441 0.072 4.779 1.00 0.00 C ATOM 347 C ILE A 674 1.503 0.802 3.953 1.00 0.00 C ATOM 348 O ILE A 674 2.661 0.400 3.936 1.00 0.00 O ATOM 349 CB ILE A 674 0.097 -1.301 4.140 1.00 0.00 C ATOM 350 CG1 ILE A 674 1.350 -1.991 3.570 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.975 -1.141 3.068 1.00 0.00 C ATOM 352 CD1 ILE A 674 1.639 -1.645 2.122 1.00 0.00 C ATOM 0 H ILE A 674 -1.594 0.490 4.527 1.00 0.00 H new ATOM 0 HA ILE A 674 0.848 -0.113 5.773 1.00 0.00 H new ATOM 0 HB ILE A 674 -0.298 -1.944 4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 674 2.212 -1.716 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 674 1.230 -3.071 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -1.202 -2.114 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -1.877 -0.724 3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.613 -0.470 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 674 2.536 -2.170 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 674 0.795 -1.946 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 674 1.793 -0.570 2.029 1.00 0.00 H new ATOM 364 N GLU A 675 1.113 1.886 3.281 1.00 0.00 N ATOM 365 CA GLU A 675 2.058 2.658 2.485 1.00 0.00 C ATOM 366 C GLU A 675 2.835 3.624 3.369 1.00 0.00 C ATOM 367 O GLU A 675 3.973 3.978 3.065 1.00 0.00 O ATOM 368 CB GLU A 675 1.330 3.426 1.379 1.00 0.00 C ATOM 369 CG GLU A 675 2.265 4.125 0.405 1.00 0.00 C ATOM 370 CD GLU A 675 2.277 5.631 0.584 1.00 0.00 C ATOM 371 OE1 GLU A 675 1.242 6.271 0.302 1.00 0.00 O ATOM 372 OE2 GLU A 675 3.321 6.170 1.007 1.00 0.00 O ATOM 0 H GLU A 675 0.158 2.244 3.274 1.00 0.00 H new ATOM 0 HA GLU A 675 2.760 1.964 2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 675 0.694 2.734 0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 675 0.674 4.167 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 675 3.276 3.739 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 675 1.964 3.887 -0.615 1.00 0.00 H new ATOM 379 N LYS A 676 2.221 4.044 4.471 1.00 0.00 N ATOM 380 CA LYS A 676 2.875 4.962 5.394 1.00 0.00 C ATOM 381 C LYS A 676 3.906 4.238 6.250 1.00 0.00 C ATOM 382 O LYS A 676 4.702 4.875 6.939 1.00 0.00 O ATOM 383 CB LYS A 676 1.841 5.653 6.285 1.00 0.00 C ATOM 384 CG LYS A 676 2.177 7.103 6.594 1.00 0.00 C ATOM 385 CD LYS A 676 2.255 7.939 5.326 1.00 0.00 C ATOM 386 CE LYS A 676 2.118 9.423 5.627 1.00 0.00 C ATOM 387 NZ LYS A 676 0.706 9.808 5.897 1.00 0.00 N ATOM 0 H LYS A 676 1.279 3.765 4.744 1.00 0.00 H new ATOM 0 HA LYS A 676 3.393 5.718 4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 676 0.867 5.610 5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 676 1.754 5.101 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 676 1.421 7.519 7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 676 3.129 7.152 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 676 3.206 7.755 4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 676 1.467 7.632 4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 676 2.734 9.677 6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 676 2.497 10.001 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 0.635 10.843 5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 0.100 9.468 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 0.395 9.382 6.793 1.00 0.00 H new ATOM 401 N THR A 677 3.909 2.907 6.196 1.00 0.00 N ATOM 402 CA THR A 677 4.876 2.137 6.965 1.00 0.00 C ATOM 403 C THR A 677 6.216 2.114 6.243 1.00 0.00 C ATOM 404 O THR A 677 7.264 1.952 6.865 1.00 0.00 O ATOM 405 CB THR A 677 4.377 0.709 7.211 1.00 0.00 C ATOM 406 OG1 THR A 677 3.343 0.374 6.304 1.00 0.00 O ATOM 407 CG2 THR A 677 3.843 0.501 8.610 1.00 0.00 C ATOM 0 H THR A 677 3.263 2.350 5.637 1.00 0.00 H new ATOM 0 HA THR A 677 5.002 2.618 7.935 1.00 0.00 H new ATOM 0 HB THR A 677 5.248 0.069 7.068 1.00 0.00 H new ATOM 0 HG1 THR A 677 3.062 -0.552 6.456 1.00 0.00 H new ATOM 0 HG21 THR A 677 3.505 -0.529 8.721 1.00 0.00 H new ATOM 0 HG22 THR A 677 4.632 0.705 9.334 1.00 0.00 H new ATOM 0 HG23 THR A 677 3.006 1.178 8.784 1.00 0.00 H new ATOM 415 N LEU A 678 6.175 2.287 4.921 1.00 0.00 N ATOM 416 CA LEU A 678 7.390 2.293 4.121 1.00 0.00 C ATOM 417 C LEU A 678 8.316 3.424 4.555 1.00 0.00 C ATOM 418 O LEU A 678 9.534 3.326 4.412 1.00 0.00 O ATOM 419 CB LEU A 678 7.054 2.428 2.634 1.00 0.00 C ATOM 420 CG LEU A 678 6.674 3.837 2.174 1.00 0.00 C ATOM 421 CD1 LEU A 678 7.917 4.634 1.809 1.00 0.00 C ATOM 422 CD2 LEU A 678 5.717 3.764 0.994 1.00 0.00 C ATOM 0 H LEU A 678 5.316 2.424 4.388 1.00 0.00 H new ATOM 0 HA LEU A 678 7.904 1.345 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 678 7.913 2.093 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 678 6.230 1.753 2.402 1.00 0.00 H new ATOM 0 HG LEU A 678 6.173 4.348 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 678 7.626 5.633 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 678 8.569 4.711 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 678 8.448 4.130 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 678 5.454 4.773 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 678 6.196 3.237 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 678 4.814 3.230 1.290 1.00 0.00 H new ATOM 434 N LYS A 679 7.730 4.496 5.088 1.00 0.00 N ATOM 435 CA LYS A 679 8.515 5.640 5.546 1.00 0.00 C ATOM 436 C LYS A 679 9.500 5.214 6.633 1.00 0.00 C ATOM 437 O LYS A 679 9.231 5.370 7.824 1.00 0.00 O ATOM 438 CB LYS A 679 7.594 6.742 6.074 1.00 0.00 C ATOM 439 CG LYS A 679 8.305 8.064 6.316 1.00 0.00 C ATOM 440 CD LYS A 679 7.337 9.235 6.261 1.00 0.00 C ATOM 441 CE LYS A 679 7.732 10.334 7.236 1.00 0.00 C ATOM 442 NZ LYS A 679 7.605 11.689 6.631 1.00 0.00 N ATOM 0 H LYS A 679 6.722 4.595 5.212 1.00 0.00 H new ATOM 0 HA LYS A 679 9.079 6.030 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 679 6.784 6.899 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 679 7.138 6.408 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 679 8.796 8.042 7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 679 9.086 8.201 5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 679 7.310 9.638 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 679 6.330 8.887 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 679 7.104 10.273 8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 679 8.760 10.177 7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 7.884 12.408 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 8.224 11.757 5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 6.619 11.850 6.343 1.00 0.00 H new ATOM 456 N ASN A 680 10.639 4.668 6.213 1.00 0.00 N ATOM 457 CA ASN A 680 11.662 4.211 7.145 1.00 0.00 C ATOM 458 C ASN A 680 12.313 5.388 7.865 1.00 0.00 C ATOM 459 O ASN A 680 12.148 5.557 9.074 1.00 0.00 O ATOM 460 CB ASN A 680 12.726 3.394 6.406 1.00 0.00 C ATOM 461 CG ASN A 680 13.431 2.408 7.315 1.00 0.00 C ATOM 462 OD1 ASN A 680 13.274 1.195 7.176 1.00 0.00 O ATOM 463 ND2 ASN A 680 14.215 2.924 8.255 1.00 0.00 N ATOM 0 H ASN A 680 10.875 4.532 5.230 1.00 0.00 H new ATOM 0 HA ASN A 680 11.181 3.578 7.891 1.00 0.00 H new ATOM 0 HB2 ASN A 680 12.259 2.855 5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 680 13.461 4.070 5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 680 14.715 2.309 8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 680 14.317 3.936 8.335 1.00 0.00 H new ATOM 470 N LYS A 681 13.056 6.197 7.117 1.00 0.00 N ATOM 471 CA LYS A 681 13.733 7.357 7.686 1.00 0.00 C ATOM 472 C LYS A 681 14.191 8.311 6.587 1.00 0.00 C ATOM 473 O LYS A 681 14.316 7.922 5.427 1.00 0.00 O ATOM 474 CB LYS A 681 14.932 6.913 8.527 1.00 0.00 C ATOM 475 CG LYS A 681 15.072 7.670 9.839 1.00 0.00 C ATOM 476 CD LYS A 681 15.502 6.752 10.971 1.00 0.00 C ATOM 477 CE LYS A 681 14.372 5.830 11.403 1.00 0.00 C ATOM 478 NZ LYS A 681 13.312 6.561 12.151 1.00 0.00 N ATOM 0 H LYS A 681 13.205 6.071 6.116 1.00 0.00 H new ATOM 0 HA LYS A 681 13.025 7.883 8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 681 14.841 5.848 8.740 1.00 0.00 H new ATOM 0 HB3 LYS A 681 15.843 7.044 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 681 15.802 8.471 9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 681 14.122 8.140 10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 681 16.357 6.156 10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 681 15.830 7.350 11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 681 13.935 5.356 10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 681 14.773 5.033 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 12.660 5.878 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 13.750 7.143 12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 12.785 7.174 11.497 1.00 0.00 H new ATOM 492 N GLN A 682 14.438 9.563 6.960 1.00 0.00 N ATOM 493 CA GLN A 682 14.881 10.572 6.004 1.00 0.00 C ATOM 494 C GLN A 682 13.848 10.760 4.897 1.00 0.00 C ATOM 495 O GLN A 682 12.915 9.968 4.766 1.00 0.00 O ATOM 496 CB GLN A 682 16.229 10.174 5.401 1.00 0.00 C ATOM 497 CG GLN A 682 17.258 9.749 6.438 1.00 0.00 C ATOM 498 CD GLN A 682 17.701 10.896 7.325 1.00 0.00 C ATOM 499 OE1 GLN A 682 18.465 11.763 6.902 1.00 0.00 O ATOM 500 NE2 GLN A 682 17.225 10.904 8.564 1.00 0.00 N ATOM 0 H GLN A 682 14.339 9.903 7.917 1.00 0.00 H new ATOM 0 HA GLN A 682 14.994 11.518 6.534 1.00 0.00 H new ATOM 0 HB2 GLN A 682 16.075 9.356 4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 682 16.625 11.015 4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 682 16.838 8.957 7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 682 18.127 9.330 5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 682 16.594 10.165 8.873 1.00 0.00 H new ATOM 0 HE22 GLN A 682 17.490 11.650 9.208 1.00 0.00 H new ATOM 509 N ASN A 683 14.019 11.812 4.103 1.00 0.00 N ATOM 510 CA ASN A 683 13.099 12.100 3.008 1.00 0.00 C ATOM 511 C ASN A 683 13.589 13.284 2.180 1.00 0.00 C ATOM 512 O ASN A 683 14.083 14.262 2.782 1.00 0.00 O ATOM 513 CB ASN A 683 11.699 12.389 3.553 1.00 0.00 C ATOM 514 CG ASN A 683 10.605 11.888 2.631 1.00 0.00 C ATOM 515 OD1 ASN A 683 10.779 10.894 1.926 1.00 0.00 O ATOM 516 ND2 ASN A 683 9.469 12.575 2.630 1.00 0.00 N ATOM 517 OXT ASN A 683 13.475 13.225 0.939 1.00 0.00 O ATOM 0 H ASN A 683 14.785 12.479 4.197 1.00 0.00 H new ATOM 0 HA ASN A 683 13.057 11.222 2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 683 11.589 11.920 4.531 1.00 0.00 H new ATOM 0 HB3 ASN A 683 11.584 13.463 3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 683 8.698 12.285 2.029 1.00 0.00 H new ATOM 0 HD22 ASN A 683 9.367 13.393 3.230 1.00 0.00 H new TER 524 ASN A 683