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 46:sc= 0.538 USER MOD Set 1.2: A 662 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 655 SER OG : rot -30:sc= -6.53! USER MOD Set 2.2: A 677 THR OG1 : rot 26:sc= -2.11! USER MOD Single : A 654 TYR OH : rot 114:sc= 0.598 USER MOD Single : A 657 GLN : amide:sc= 0 K(o=0,f=-0.84) 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 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -6.51! C(o=-6.5!,f=-8.9!) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A 683 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 18.129 4.206 -0.539 1.00 0.00 N ATOM 2 CA GLY A 651 16.789 4.347 0.095 1.00 0.00 C ATOM 3 C GLY A 651 16.283 3.043 0.679 1.00 0.00 C ATOM 4 O GLY A 651 17.073 2.177 1.057 1.00 0.00 O ATOM 0 HA2 GLY A 651 16.841 5.098 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 651 16.077 4.710 -0.646 1.00 0.00 H new ATOM 9 N ALA A 652 14.963 2.903 0.755 1.00 0.00 N ATOM 10 CA ALA A 652 14.347 1.697 1.297 1.00 0.00 C ATOM 11 C ALA A 652 12.833 1.852 1.380 1.00 0.00 C ATOM 12 O ALA A 652 12.315 2.548 2.253 1.00 0.00 O ATOM 13 CB ALA A 652 14.921 1.372 2.668 1.00 0.00 C ATOM 0 H ALA A 652 14.298 3.612 0.447 1.00 0.00 H new ATOM 0 HA ALA A 652 14.571 0.871 0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 652 14.449 0.469 3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 652 15.996 1.212 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 652 14.730 2.202 3.348 1.00 0.00 H new ATOM 19 N ASP A 653 12.129 1.195 0.466 1.00 0.00 N ATOM 20 CA ASP A 653 10.675 1.250 0.430 1.00 0.00 C ATOM 21 C ASP A 653 10.090 -0.149 0.553 1.00 0.00 C ATOM 22 O ASP A 653 9.691 -0.767 -0.435 1.00 0.00 O ATOM 23 CB ASP A 653 10.193 1.917 -0.860 1.00 0.00 C ATOM 24 CG ASP A 653 9.767 3.356 -0.644 1.00 0.00 C ATOM 25 OD1 ASP A 653 10.455 4.070 0.115 1.00 0.00 O ATOM 26 OD2 ASP A 653 8.746 3.769 -1.234 1.00 0.00 O ATOM 0 H ASP A 653 12.545 0.616 -0.263 1.00 0.00 H new ATOM 0 HA ASP A 653 10.332 1.847 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 653 10.991 1.885 -1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 653 9.356 1.351 -1.267 1.00 0.00 H new ATOM 31 N TYR A 654 10.061 -0.635 1.781 1.00 0.00 N ATOM 32 CA TYR A 654 9.547 -1.966 2.082 1.00 0.00 C ATOM 33 C TYR A 654 8.034 -1.985 2.116 1.00 0.00 C ATOM 34 O TYR A 654 7.400 -2.858 1.525 1.00 0.00 O ATOM 35 CB TYR A 654 10.093 -2.459 3.420 1.00 0.00 C ATOM 36 CG TYR A 654 10.003 -1.432 4.529 1.00 0.00 C ATOM 37 CD1 TYR A 654 10.916 -0.391 4.607 1.00 0.00 C ATOM 38 CD2 TYR A 654 9.015 -1.510 5.506 1.00 0.00 C ATOM 39 CE1 TYR A 654 10.852 0.544 5.622 1.00 0.00 C ATOM 40 CE2 TYR A 654 8.946 -0.581 6.526 1.00 0.00 C ATOM 41 CZ TYR A 654 9.866 0.443 6.580 1.00 0.00 C ATOM 42 OH TYR A 654 9.801 1.370 7.595 1.00 0.00 O ATOM 0 H TYR A 654 10.392 -0.122 2.598 1.00 0.00 H new ATOM 0 HA TYR A 654 9.880 -2.631 1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 654 9.545 -3.353 3.719 1.00 0.00 H new ATOM 0 HB3 TYR A 654 11.135 -2.752 3.292 1.00 0.00 H new ATOM 0 HD1 TYR A 654 11.692 -0.310 3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 654 8.290 -2.310 5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 654 11.570 1.349 5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 654 8.174 -0.657 7.278 1.00 0.00 H new ATOM 0 HH TYR A 654 8.981 1.898 7.504 1.00 0.00 H new ATOM 52 N SER A 655 7.456 -1.020 2.808 1.00 0.00 N ATOM 53 CA SER A 655 6.012 -0.934 2.910 1.00 0.00 C ATOM 54 C SER A 655 5.417 -0.313 1.658 1.00 0.00 C ATOM 55 O SER A 655 4.297 0.197 1.672 1.00 0.00 O ATOM 56 CB SER A 655 5.620 -0.136 4.141 1.00 0.00 C ATOM 57 OG SER A 655 6.606 -0.266 5.146 1.00 0.00 O ATOM 0 H SER A 655 7.963 -0.288 3.306 1.00 0.00 H new ATOM 0 HA SER A 655 5.613 -1.944 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 655 5.496 0.914 3.877 1.00 0.00 H new ATOM 0 HB3 SER A 655 4.659 -0.485 4.518 1.00 0.00 H new ATOM 0 HG SER A 655 7.038 -1.142 5.069 1.00 0.00 H new ATOM 63 N ALA A 656 6.171 -0.389 0.572 1.00 0.00 N ATOM 64 CA ALA A 656 5.734 0.127 -0.705 1.00 0.00 C ATOM 65 C ALA A 656 5.449 -1.028 -1.630 1.00 0.00 C ATOM 66 O ALA A 656 4.428 -1.054 -2.318 1.00 0.00 O ATOM 67 CB ALA A 656 6.789 1.025 -1.323 1.00 0.00 C ATOM 0 H ALA A 656 7.100 -0.810 0.557 1.00 0.00 H new ATOM 0 HA ALA A 656 4.832 0.720 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 656 6.432 1.398 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 656 6.987 1.865 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 656 7.707 0.457 -1.473 1.00 0.00 H new ATOM 73 N GLN A 657 6.352 -2.002 -1.629 1.00 0.00 N ATOM 74 CA GLN A 657 6.167 -3.170 -2.462 1.00 0.00 C ATOM 75 C GLN A 657 4.898 -3.889 -2.028 1.00 0.00 C ATOM 76 O GLN A 657 4.244 -4.569 -2.818 1.00 0.00 O ATOM 77 CB GLN A 657 7.380 -4.105 -2.371 1.00 0.00 C ATOM 78 CG GLN A 657 7.051 -5.574 -2.611 1.00 0.00 C ATOM 79 CD GLN A 657 8.271 -6.470 -2.508 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.391 -5.994 -2.325 1.00 0.00 O ATOM 81 NE2 GLN A 657 8.058 -7.775 -2.623 1.00 0.00 N ATOM 0 H GLN A 657 7.204 -2.002 -1.068 1.00 0.00 H new ATOM 0 HA GLN A 657 6.071 -2.860 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 657 8.126 -3.787 -3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.832 -4.001 -1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 657 6.304 -5.898 -1.886 1.00 0.00 H new ATOM 0 HG3 GLN A 657 6.605 -5.686 -3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 657 7.112 -8.126 -2.774 1.00 0.00 H new ATOM 0 HE22 GLN A 657 8.840 -8.427 -2.560 1.00 0.00 H new ATOM 90 N TRP A 658 4.557 -3.713 -0.758 1.00 0.00 N ATOM 91 CA TRP A 658 3.368 -4.314 -0.190 1.00 0.00 C ATOM 92 C TRP A 658 2.189 -3.364 -0.322 1.00 0.00 C ATOM 93 O TRP A 658 1.035 -3.786 -0.327 1.00 0.00 O ATOM 94 CB TRP A 658 3.621 -4.683 1.277 1.00 0.00 C ATOM 95 CG TRP A 658 3.646 -6.155 1.507 1.00 0.00 C ATOM 96 CD1 TRP A 658 4.543 -6.876 2.241 1.00 0.00 C ATOM 97 CD2 TRP A 658 2.716 -7.084 0.978 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.214 -8.212 2.196 1.00 0.00 N ATOM 99 CE2 TRP A 658 3.091 -8.362 1.422 1.00 0.00 C ATOM 100 CE3 TRP A 658 1.597 -6.943 0.170 1.00 0.00 C ATOM 101 CZ2 TRP A 658 2.376 -9.505 1.076 1.00 0.00 C ATOM 102 CZ3 TRP A 658 0.884 -8.075 -0.177 1.00 0.00 C ATOM 103 CH2 TRP A 658 1.276 -9.343 0.276 1.00 0.00 C ATOM 0 H TRP A 658 5.097 -3.152 -0.099 1.00 0.00 H new ATOM 0 HA TRP A 658 3.128 -5.227 -0.735 1.00 0.00 H new ATOM 0 HB2 TRP A 658 4.571 -4.254 1.596 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.845 -4.236 1.898 1.00 0.00 H new ATOM 0 HD1 TRP A 658 5.384 -6.461 2.776 1.00 0.00 H new ATOM 0 HE1 TRP A 658 4.721 -8.965 2.661 1.00 0.00 H new ATOM 0 HE3 TRP A 658 1.289 -5.969 -0.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 2.677 -10.482 1.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 0.012 -7.982 -0.807 1.00 0.00 H new ATOM 0 HH2 TRP A 658 0.699 -10.209 -0.012 1.00 0.00 H new ATOM 114 N ALA A 659 2.486 -2.077 -0.455 1.00 0.00 N ATOM 115 CA ALA A 659 1.448 -1.078 -0.625 1.00 0.00 C ATOM 116 C ALA A 659 1.141 -0.908 -2.110 1.00 0.00 C ATOM 117 O ALA A 659 0.218 -0.185 -2.486 1.00 0.00 O ATOM 118 CB ALA A 659 1.871 0.252 -0.012 1.00 0.00 C ATOM 0 H ALA A 659 3.436 -1.705 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 659 0.548 -1.413 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 659 1.077 0.986 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 659 2.058 0.118 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 659 2.780 0.604 -0.499 1.00 0.00 H new ATOM 124 N GLU A 660 1.933 -1.577 -2.956 1.00 0.00 N ATOM 125 CA GLU A 660 1.750 -1.491 -4.395 1.00 0.00 C ATOM 126 C GLU A 660 0.663 -2.438 -4.887 1.00 0.00 C ATOM 127 O GLU A 660 -0.071 -2.108 -5.818 1.00 0.00 O ATOM 128 CB GLU A 660 3.068 -1.775 -5.122 1.00 0.00 C ATOM 129 CG GLU A 660 3.496 -3.233 -5.083 1.00 0.00 C ATOM 130 CD GLU A 660 3.352 -3.921 -6.427 1.00 0.00 C ATOM 131 OE1 GLU A 660 4.285 -3.816 -7.251 1.00 0.00 O ATOM 132 OE2 GLU A 660 2.308 -4.566 -6.654 1.00 0.00 O ATOM 0 H GLU A 660 2.702 -2.180 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 660 1.430 -0.474 -4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 660 2.971 -1.463 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.854 -1.165 -4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 660 4.534 -3.294 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 660 2.898 -3.763 -4.342 1.00 0.00 H new ATOM 139 N TYR A 661 0.552 -3.612 -4.271 1.00 0.00 N ATOM 140 CA TYR A 661 -0.469 -4.566 -4.695 1.00 0.00 C ATOM 141 C TYR A 661 -1.861 -4.077 -4.301 1.00 0.00 C ATOM 142 O TYR A 661 -2.843 -4.358 -4.986 1.00 0.00 O ATOM 143 CB TYR A 661 -0.190 -5.964 -4.128 1.00 0.00 C ATOM 144 CG TYR A 661 -0.864 -6.246 -2.807 1.00 0.00 C ATOM 145 CD1 TYR A 661 -0.698 -5.386 -1.733 1.00 0.00 C ATOM 146 CD2 TYR A 661 -1.660 -7.371 -2.633 1.00 0.00 C ATOM 147 CE1 TYR A 661 -1.305 -5.639 -0.517 1.00 0.00 C ATOM 148 CE2 TYR A 661 -2.275 -7.631 -1.424 1.00 0.00 C ATOM 149 CZ TYR A 661 -2.093 -6.762 -0.369 1.00 0.00 C ATOM 150 OH TYR A 661 -2.698 -7.021 0.840 1.00 0.00 O ATOM 0 H TYR A 661 1.140 -3.921 -3.496 1.00 0.00 H new ATOM 0 HA TYR A 661 -0.433 -4.640 -5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 661 -0.515 -6.709 -4.854 1.00 0.00 H new ATOM 0 HB3 TYR A 661 0.886 -6.085 -4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 661 -0.085 -4.504 -1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 661 -1.800 -8.054 -3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 661 -1.163 -4.962 0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 661 -2.894 -8.508 -1.306 1.00 0.00 H new ATOM 0 HH TYR A 661 -3.108 -6.200 1.183 1.00 0.00 H new ATOM 160 N TYR A 662 -1.937 -3.327 -3.206 1.00 0.00 N ATOM 161 CA TYR A 662 -3.207 -2.785 -2.748 1.00 0.00 C ATOM 162 C TYR A 662 -3.767 -1.824 -3.787 1.00 0.00 C ATOM 163 O TYR A 662 -4.978 -1.724 -3.976 1.00 0.00 O ATOM 164 CB TYR A 662 -3.025 -2.040 -1.429 1.00 0.00 C ATOM 165 CG TYR A 662 -3.080 -2.919 -0.202 1.00 0.00 C ATOM 166 CD1 TYR A 662 -4.019 -3.934 -0.083 1.00 0.00 C ATOM 167 CD2 TYR A 662 -2.194 -2.720 0.843 1.00 0.00 C ATOM 168 CE1 TYR A 662 -4.071 -4.726 1.047 1.00 0.00 C ATOM 169 CE2 TYR A 662 -2.236 -3.505 1.975 1.00 0.00 C ATOM 170 CZ TYR A 662 -3.177 -4.507 2.074 1.00 0.00 C ATOM 171 OH TYR A 662 -3.224 -5.293 3.202 1.00 0.00 O ATOM 0 H TYR A 662 -1.137 -3.083 -2.623 1.00 0.00 H new ATOM 0 HA TYR A 662 -3.900 -3.614 -2.601 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.066 -1.523 -1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -3.798 -1.276 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -4.720 -4.107 -0.886 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -1.456 -1.935 0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -4.807 -5.512 1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -1.536 -3.336 2.780 1.00 0.00 H new ATOM 0 HH TYR A 662 -2.526 -5.009 3.828 1.00 0.00 H new ATOM 181 N ARG A 663 -2.864 -1.113 -4.453 1.00 0.00 N ATOM 182 CA ARG A 663 -3.243 -0.143 -5.470 1.00 0.00 C ATOM 183 C ARG A 663 -3.738 -0.819 -6.749 1.00 0.00 C ATOM 184 O ARG A 663 -4.122 -0.140 -7.701 1.00 0.00 O ATOM 185 CB ARG A 663 -2.052 0.763 -5.795 1.00 0.00 C ATOM 186 CG ARG A 663 -2.097 2.107 -5.088 1.00 0.00 C ATOM 187 CD ARG A 663 -1.857 1.961 -3.594 1.00 0.00 C ATOM 188 NE ARG A 663 -2.129 3.202 -2.872 1.00 0.00 N ATOM 189 CZ ARG A 663 -1.350 4.281 -2.932 1.00 0.00 C ATOM 190 NH1 ARG A 663 -0.251 4.274 -3.677 1.00 0.00 N ATOM 191 NH2 ARG A 663 -1.670 5.369 -2.245 1.00 0.00 N ATOM 0 H ARG A 663 -1.858 -1.192 -4.304 1.00 0.00 H new ATOM 0 HA ARG A 663 -4.064 0.451 -5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -1.130 0.249 -5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -2.017 0.930 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -1.344 2.769 -5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.066 2.576 -5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -2.491 1.166 -3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -0.824 1.660 -3.421 1.00 0.00 H new ATOM 0 HE ARG A 663 -2.964 3.245 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 663 0.000 3.440 -4.207 1.00 0.00 H new ATOM 0 HH12 ARG A 663 0.342 5.103 -3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -2.513 5.380 -1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -1.073 6.195 -2.291 1.00 0.00 H new ATOM 205 N SER A 664 -3.720 -2.150 -6.781 1.00 0.00 N ATOM 206 CA SER A 664 -4.161 -2.876 -7.967 1.00 0.00 C ATOM 207 C SER A 664 -5.401 -3.720 -7.696 1.00 0.00 C ATOM 208 O SER A 664 -6.188 -3.985 -8.604 1.00 0.00 O ATOM 209 CB SER A 664 -3.032 -3.759 -8.502 1.00 0.00 C ATOM 210 OG SER A 664 -1.765 -3.174 -8.253 1.00 0.00 O ATOM 0 H SER A 664 -3.409 -2.740 -6.009 1.00 0.00 H new ATOM 0 HA SER A 664 -4.427 -2.133 -8.719 1.00 0.00 H new ATOM 0 HB2 SER A 664 -3.081 -4.741 -8.033 1.00 0.00 H new ATOM 0 HB3 SER A 664 -3.162 -3.911 -9.574 1.00 0.00 H new ATOM 0 HG SER A 664 -1.060 -3.758 -8.603 1.00 0.00 H new ATOM 216 N VAL A 665 -5.579 -4.137 -6.451 1.00 0.00 N ATOM 217 CA VAL A 665 -6.735 -4.945 -6.083 1.00 0.00 C ATOM 218 C VAL A 665 -7.824 -4.071 -5.472 1.00 0.00 C ATOM 219 O VAL A 665 -8.526 -4.484 -4.549 1.00 0.00 O ATOM 220 CB VAL A 665 -6.349 -6.066 -5.096 1.00 0.00 C ATOM 221 CG1 VAL A 665 -5.828 -5.482 -3.794 1.00 0.00 C ATOM 222 CG2 VAL A 665 -7.535 -6.987 -4.841 1.00 0.00 C ATOM 0 H VAL A 665 -4.942 -3.931 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 665 -7.115 -5.408 -6.994 1.00 0.00 H new ATOM 0 HB VAL A 665 -5.550 -6.656 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -5.562 -6.291 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -4.947 -4.873 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -6.601 -4.863 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 665 -7.243 -7.771 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -8.358 -6.412 -4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -7.854 -7.438 -5.781 1.00 0.00 H new ATOM 232 N GLY A 666 -7.950 -2.855 -5.994 1.00 0.00 N ATOM 233 CA GLY A 666 -8.946 -1.928 -5.490 1.00 0.00 C ATOM 234 C GLY A 666 -8.728 -1.592 -4.036 1.00 0.00 C ATOM 235 O GLY A 666 -9.669 -1.244 -3.323 1.00 0.00 O ATOM 0 H GLY A 666 -7.379 -2.495 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -8.919 -1.012 -6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -9.939 -2.360 -5.616 1.00 0.00 H new ATOM 239 N LYS A 667 -7.480 -1.681 -3.598 1.00 0.00 N ATOM 240 CA LYS A 667 -7.144 -1.365 -2.219 1.00 0.00 C ATOM 241 C LYS A 667 -6.246 -0.141 -2.152 1.00 0.00 C ATOM 242 O LYS A 667 -5.554 0.085 -1.161 1.00 0.00 O ATOM 243 CB LYS A 667 -6.478 -2.557 -1.531 1.00 0.00 C ATOM 244 CG LYS A 667 -7.399 -3.292 -0.569 1.00 0.00 C ATOM 245 CD LYS A 667 -7.200 -4.798 -0.643 1.00 0.00 C ATOM 246 CE LYS A 667 -8.388 -5.547 -0.058 1.00 0.00 C ATOM 247 NZ LYS A 667 -7.959 -6.693 0.790 1.00 0.00 N ATOM 0 H LYS A 667 -6.689 -1.968 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 667 -8.071 -1.142 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -6.126 -3.255 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.600 -2.209 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -7.211 -2.949 0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -8.436 -3.050 -0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -7.056 -5.096 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -6.294 -5.073 -0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -8.992 -4.862 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -9.022 -5.911 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -8.798 -7.177 1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -7.404 -7.360 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -7.375 -6.343 1.577 1.00 0.00 H new ATOM 261 N ILE A 668 -6.278 0.655 -3.215 1.00 0.00 N ATOM 262 CA ILE A 668 -5.482 1.875 -3.285 1.00 0.00 C ATOM 263 C ILE A 668 -5.647 2.689 -2.010 1.00 0.00 C ATOM 264 O ILE A 668 -4.722 3.368 -1.567 1.00 0.00 O ATOM 265 CB ILE A 668 -5.887 2.749 -4.492 1.00 0.00 C ATOM 266 CG1 ILE A 668 -5.845 1.935 -5.788 1.00 0.00 C ATOM 267 CG2 ILE A 668 -4.983 3.968 -4.595 1.00 0.00 C ATOM 268 CD1 ILE A 668 -6.991 2.239 -6.729 1.00 0.00 C ATOM 0 H ILE A 668 -6.848 0.477 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.441 1.575 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.910 3.092 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.903 2.131 -6.300 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -5.859 0.873 -5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -5.283 4.572 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -5.067 4.561 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -3.950 3.645 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -6.898 1.627 -7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -7.937 2.016 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -6.965 3.293 -7.005 1.00 0.00 H new ATOM 280 N GLU A 669 -6.834 2.605 -1.422 1.00 0.00 N ATOM 281 CA GLU A 669 -7.120 3.327 -0.188 1.00 0.00 C ATOM 282 C GLU A 669 -6.555 2.578 1.011 1.00 0.00 C ATOM 283 O GLU A 669 -6.016 3.183 1.936 1.00 0.00 O ATOM 284 CB GLU A 669 -8.628 3.533 -0.022 1.00 0.00 C ATOM 285 CG GLU A 669 -9.005 4.941 0.410 1.00 0.00 C ATOM 286 CD GLU A 669 -10.119 4.957 1.439 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.242 4.526 1.106 1.00 0.00 O ATOM 288 OE2 GLU A 669 -9.867 5.400 2.579 1.00 0.00 O ATOM 0 H GLU A 669 -7.611 2.047 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 669 -6.641 4.305 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.123 3.306 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.005 2.823 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -8.127 5.438 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -9.314 5.515 -0.464 1.00 0.00 H new ATOM 295 N GLU A 670 -6.669 1.255 0.981 1.00 0.00 N ATOM 296 CA GLU A 670 -6.151 0.429 2.061 1.00 0.00 C ATOM 297 C GLU A 670 -4.629 0.420 2.034 1.00 0.00 C ATOM 298 O GLU A 670 -3.983 0.216 3.062 1.00 0.00 O ATOM 299 CB GLU A 670 -6.694 -0.999 1.952 1.00 0.00 C ATOM 300 CG GLU A 670 -7.550 -1.415 3.138 1.00 0.00 C ATOM 301 CD GLU A 670 -7.052 -2.685 3.801 1.00 0.00 C ATOM 302 OE1 GLU A 670 -7.117 -3.754 3.160 1.00 0.00 O ATOM 303 OE2 GLU A 670 -6.597 -2.610 4.961 1.00 0.00 O ATOM 0 H GLU A 670 -7.113 0.735 0.224 1.00 0.00 H new ATOM 0 HA GLU A 670 -6.481 0.852 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.284 -1.086 1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.857 -1.691 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -7.565 -0.609 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -8.578 -1.562 2.806 1.00 0.00 H new ATOM 310 N ALA A 671 -4.058 0.656 0.856 1.00 0.00 N ATOM 311 CA ALA A 671 -2.614 0.688 0.717 1.00 0.00 C ATOM 312 C ALA A 671 -2.034 1.828 1.536 1.00 0.00 C ATOM 313 O ALA A 671 -0.935 1.718 2.077 1.00 0.00 O ATOM 314 CB ALA A 671 -2.218 0.829 -0.745 1.00 0.00 C ATOM 0 H ALA A 671 -4.573 0.826 -0.008 1.00 0.00 H new ATOM 0 HA ALA A 671 -2.210 -0.253 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -1.131 0.851 -0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -2.608 -0.017 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -2.631 1.755 -1.146 1.00 0.00 H new ATOM 320 N GLU A 672 -2.786 2.926 1.636 1.00 0.00 N ATOM 321 CA GLU A 672 -2.341 4.081 2.405 1.00 0.00 C ATOM 322 C GLU A 672 -1.910 3.656 3.805 1.00 0.00 C ATOM 323 O GLU A 672 -1.007 4.248 4.395 1.00 0.00 O ATOM 324 CB GLU A 672 -3.451 5.130 2.492 1.00 0.00 C ATOM 325 CG GLU A 672 -3.383 6.181 1.397 1.00 0.00 C ATOM 326 CD GLU A 672 -2.496 7.354 1.768 1.00 0.00 C ATOM 327 OE1 GLU A 672 -2.808 8.043 2.763 1.00 0.00 O ATOM 328 OE2 GLU A 672 -1.489 7.583 1.066 1.00 0.00 O ATOM 0 H GLU A 672 -3.700 3.036 1.196 1.00 0.00 H new ATOM 0 HA GLU A 672 -1.485 4.522 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.418 4.629 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -3.397 5.624 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -3.009 5.723 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -4.389 6.544 1.184 1.00 0.00 H new ATOM 335 N ALA A 673 -2.555 2.615 4.324 1.00 0.00 N ATOM 336 CA ALA A 673 -2.228 2.100 5.646 1.00 0.00 C ATOM 337 C ALA A 673 -0.823 1.540 5.662 1.00 0.00 C ATOM 338 O ALA A 673 0.084 2.110 6.270 1.00 0.00 O ATOM 339 CB ALA A 673 -3.213 1.018 6.048 1.00 0.00 C ATOM 0 H ALA A 673 -3.305 2.114 3.849 1.00 0.00 H new ATOM 0 HA ALA A 673 -2.290 2.922 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -2.956 0.642 7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -4.221 1.432 6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -3.170 0.201 5.328 1.00 0.00 H new ATOM 345 N ILE A 674 -0.650 0.423 4.976 1.00 0.00 N ATOM 346 CA ILE A 674 0.645 -0.218 4.893 1.00 0.00 C ATOM 347 C ILE A 674 1.663 0.744 4.286 1.00 0.00 C ATOM 348 O ILE A 674 2.864 0.612 4.506 1.00 0.00 O ATOM 349 CB ILE A 674 0.560 -1.519 4.070 1.00 0.00 C ATOM 350 CG1 ILE A 674 1.957 -2.096 3.807 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.193 -1.272 2.768 1.00 0.00 C ATOM 352 CD1 ILE A 674 2.387 -2.005 2.362 1.00 0.00 C ATOM 0 H ILE A 674 -1.393 -0.057 4.469 1.00 0.00 H new ATOM 0 HA ILE A 674 0.971 -0.482 5.899 1.00 0.00 H new ATOM 0 HB ILE A 674 0.006 -2.259 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 674 2.682 -1.568 4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 674 1.974 -3.141 4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -0.246 -2.199 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -1.202 -0.926 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 674 0.329 -0.515 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 674 3.384 -2.432 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 674 1.684 -2.557 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 674 2.403 -0.960 2.052 1.00 0.00 H new ATOM 364 N GLU A 675 1.171 1.739 3.551 1.00 0.00 N ATOM 365 CA GLU A 675 2.046 2.737 2.960 1.00 0.00 C ATOM 366 C GLU A 675 2.666 3.588 4.061 1.00 0.00 C ATOM 367 O GLU A 675 3.736 4.169 3.884 1.00 0.00 O ATOM 368 CB GLU A 675 1.271 3.630 1.986 1.00 0.00 C ATOM 369 CG GLU A 675 1.468 3.255 0.526 1.00 0.00 C ATOM 370 CD GLU A 675 1.619 4.468 -0.371 1.00 0.00 C ATOM 371 OE1 GLU A 675 2.117 5.506 0.111 1.00 0.00 O ATOM 372 OE2 GLU A 675 1.238 4.378 -1.558 1.00 0.00 O ATOM 0 H GLU A 675 0.179 1.872 3.354 1.00 0.00 H new ATOM 0 HA GLU A 675 2.833 2.226 2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 675 0.209 3.578 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 675 1.580 4.665 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 675 2.353 2.626 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 675 0.618 2.662 0.189 1.00 0.00 H new ATOM 379 N LYS A 676 1.982 3.657 5.205 1.00 0.00 N ATOM 380 CA LYS A 676 2.470 4.438 6.335 1.00 0.00 C ATOM 381 C LYS A 676 3.742 3.835 6.916 1.00 0.00 C ATOM 382 O LYS A 676 4.491 4.519 7.614 1.00 0.00 O ATOM 383 CB LYS A 676 1.393 4.551 7.417 1.00 0.00 C ATOM 384 CG LYS A 676 1.186 5.970 7.920 1.00 0.00 C ATOM 385 CD LYS A 676 -0.265 6.222 8.300 1.00 0.00 C ATOM 386 CE LYS A 676 -0.460 6.189 9.808 1.00 0.00 C ATOM 387 NZ LYS A 676 -1.901 6.214 10.183 1.00 0.00 N ATOM 0 H LYS A 676 1.094 3.183 5.370 1.00 0.00 H new ATOM 0 HA LYS A 676 2.707 5.438 5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 676 0.450 4.173 7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 676 1.665 3.912 8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 676 1.825 6.147 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 676 1.489 6.678 7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -0.581 7.191 7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -0.900 5.469 7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 676 0.005 5.291 10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 676 0.047 7.042 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -1.991 6.190 11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -2.340 7.083 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -2.380 5.386 9.775 1.00 0.00 H new ATOM 401 N THR A 677 4.014 2.572 6.599 1.00 0.00 N ATOM 402 CA THR A 677 5.237 1.940 7.078 1.00 0.00 C ATOM 403 C THR A 677 6.340 2.176 6.057 1.00 0.00 C ATOM 404 O THR A 677 7.486 1.767 6.242 1.00 0.00 O ATOM 405 CB THR A 677 5.036 0.439 7.323 1.00 0.00 C ATOM 406 OG1 THR A 677 3.962 -0.060 6.549 1.00 0.00 O ATOM 407 CG2 THR A 677 4.747 0.108 8.772 1.00 0.00 C ATOM 0 H THR A 677 3.417 1.977 6.024 1.00 0.00 H new ATOM 0 HA THR A 677 5.516 2.383 8.034 1.00 0.00 H new ATOM 0 HB THR A 677 5.977 -0.029 7.035 1.00 0.00 H new ATOM 0 HG1 THR A 677 3.844 0.500 5.754 1.00 0.00 H new ATOM 0 HG21 THR A 677 4.615 -0.969 8.880 1.00 0.00 H new ATOM 0 HG22 THR A 677 5.581 0.435 9.393 1.00 0.00 H new ATOM 0 HG23 THR A 677 3.837 0.619 9.087 1.00 0.00 H new ATOM 415 N LEU A 678 5.965 2.849 4.970 1.00 0.00 N ATOM 416 CA LEU A 678 6.878 3.167 3.891 1.00 0.00 C ATOM 417 C LEU A 678 7.732 4.374 4.251 1.00 0.00 C ATOM 418 O LEU A 678 8.873 4.490 3.801 1.00 0.00 O ATOM 419 CB LEU A 678 6.079 3.453 2.622 1.00 0.00 C ATOM 420 CG LEU A 678 6.883 3.477 1.328 1.00 0.00 C ATOM 421 CD1 LEU A 678 5.941 3.464 0.137 1.00 0.00 C ATOM 422 CD2 LEU A 678 7.787 4.698 1.287 1.00 0.00 C ATOM 0 H LEU A 678 5.014 3.187 4.820 1.00 0.00 H new ATOM 0 HA LEU A 678 7.540 2.317 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 678 5.297 2.699 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 678 5.581 4.416 2.737 1.00 0.00 H new ATOM 0 HG LEU A 678 7.514 2.589 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 678 6.521 3.481 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 678 5.331 2.561 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 678 5.294 4.340 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 678 8.354 4.700 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 678 7.180 5.602 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 678 8.476 4.669 2.131 1.00 0.00 H new ATOM 434 N LYS A 679 7.172 5.274 5.064 1.00 0.00 N ATOM 435 CA LYS A 679 7.887 6.480 5.486 1.00 0.00 C ATOM 436 C LYS A 679 9.372 6.194 5.713 1.00 0.00 C ATOM 437 O LYS A 679 10.234 6.959 5.281 1.00 0.00 O ATOM 438 CB LYS A 679 7.261 7.046 6.764 1.00 0.00 C ATOM 439 CG LYS A 679 6.570 8.385 6.561 1.00 0.00 C ATOM 440 CD LYS A 679 5.088 8.308 6.893 1.00 0.00 C ATOM 441 CE LYS A 679 4.306 9.422 6.216 1.00 0.00 C ATOM 442 NZ LYS A 679 4.547 10.742 6.863 1.00 0.00 N ATOM 0 H LYS A 679 6.228 5.190 5.442 1.00 0.00 H new ATOM 0 HA LYS A 679 7.802 7.217 4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 679 6.538 6.329 7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 679 8.038 7.158 7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 679 7.045 9.139 7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 679 6.695 8.706 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 679 4.693 7.342 6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 679 4.952 8.371 7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 679 4.588 9.476 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 679 3.241 9.190 6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 3.996 11.475 6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 4.255 10.698 7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 5.559 10.975 6.809 1.00 0.00 H new ATOM 456 N ASN A 680 9.655 5.076 6.383 1.00 0.00 N ATOM 457 CA ASN A 680 11.031 4.660 6.668 1.00 0.00 C ATOM 458 C ASN A 680 11.925 5.853 7.006 1.00 0.00 C ATOM 459 O ASN A 680 12.991 6.029 6.415 1.00 0.00 O ATOM 460 CB ASN A 680 11.611 3.893 5.476 1.00 0.00 C ATOM 461 CG ASN A 680 13.006 3.365 5.752 1.00 0.00 C ATOM 462 OD1 ASN A 680 13.595 3.654 6.795 1.00 0.00 O ATOM 463 ND2 ASN A 680 13.541 2.589 4.819 1.00 0.00 N ATOM 0 H ASN A 680 8.945 4.438 6.741 1.00 0.00 H new ATOM 0 HA ASN A 680 11.002 4.006 7.540 1.00 0.00 H new ATOM 0 HB2 ASN A 680 10.953 3.060 5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 680 11.639 4.548 4.605 1.00 0.00 H new ATOM 0 HD21 ASN A 680 14.477 2.205 4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 680 13.017 2.376 3.971 1.00 0.00 H new ATOM 470 N LYS A 681 11.484 6.671 7.957 1.00 0.00 N ATOM 471 CA LYS A 681 12.249 7.845 8.366 1.00 0.00 C ATOM 472 C LYS A 681 11.554 8.579 9.508 1.00 0.00 C ATOM 473 O LYS A 681 10.419 8.265 9.866 1.00 0.00 O ATOM 474 CB LYS A 681 12.444 8.791 7.181 1.00 0.00 C ATOM 475 CG LYS A 681 11.141 9.240 6.537 1.00 0.00 C ATOM 476 CD LYS A 681 10.771 10.658 6.945 1.00 0.00 C ATOM 477 CE LYS A 681 10.441 11.519 5.735 1.00 0.00 C ATOM 478 NZ LYS A 681 11.664 12.094 5.111 1.00 0.00 N ATOM 0 H LYS A 681 10.604 6.544 8.457 1.00 0.00 H new ATOM 0 HA LYS A 681 13.224 7.507 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 681 12.995 9.670 7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 681 13.059 8.296 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 681 11.234 9.186 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 681 10.340 8.558 6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 681 9.914 10.632 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 681 11.597 11.106 7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 681 9.905 10.920 4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 681 9.773 12.326 6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 11.395 12.674 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 12.162 12.687 5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 12.290 11.324 4.801 1.00 0.00 H new ATOM 492 N GLN A 682 12.246 9.561 10.078 1.00 0.00 N ATOM 493 CA GLN A 682 11.701 10.345 11.180 1.00 0.00 C ATOM 494 C GLN A 682 12.407 11.693 11.288 1.00 0.00 C ATOM 495 O GLN A 682 13.636 11.758 11.333 1.00 0.00 O ATOM 496 CB GLN A 682 11.835 9.579 12.497 1.00 0.00 C ATOM 497 CG GLN A 682 13.264 9.179 12.824 1.00 0.00 C ATOM 498 CD GLN A 682 13.359 8.333 14.079 1.00 0.00 C ATOM 499 OE1 GLN A 682 13.943 7.249 14.068 1.00 0.00 O ATOM 500 NE2 GLN A 682 12.782 8.824 15.169 1.00 0.00 N ATOM 0 H GLN A 682 13.187 9.833 9.794 1.00 0.00 H new ATOM 0 HA GLN A 682 10.644 10.522 10.979 1.00 0.00 H new ATOM 0 HB2 GLN A 682 11.444 10.194 13.307 1.00 0.00 H new ATOM 0 HB3 GLN A 682 11.217 8.682 12.451 1.00 0.00 H new ATOM 0 HG2 GLN A 682 13.684 8.625 11.984 1.00 0.00 H new ATOM 0 HG3 GLN A 682 13.869 10.077 12.949 1.00 0.00 H new ATOM 0 HE21 GLN A 682 12.309 9.727 15.133 1.00 0.00 H new ATOM 0 HE22 GLN A 682 12.812 8.298 16.043 1.00 0.00 H new ATOM 509 N ASN A 683 11.624 12.766 11.327 1.00 0.00 N ATOM 510 CA ASN A 683 12.176 14.112 11.429 1.00 0.00 C ATOM 511 C ASN A 683 13.055 14.432 10.224 1.00 0.00 C ATOM 512 O ASN A 683 13.486 15.597 10.099 1.00 0.00 O ATOM 513 CB ASN A 683 12.985 14.260 12.719 1.00 0.00 C ATOM 514 CG ASN A 683 12.127 14.113 13.959 1.00 0.00 C ATOM 515 OD1 ASN A 683 12.286 13.166 14.730 1.00 0.00 O ATOM 516 ND2 ASN A 683 11.208 15.051 14.157 1.00 0.00 N ATOM 517 OXT ASN A 683 13.308 13.513 9.417 1.00 0.00 O ATOM 0 H ASN A 683 10.605 12.730 11.290 1.00 0.00 H new ATOM 0 HA ASN A 683 11.345 14.817 11.448 1.00 0.00 H new ATOM 0 HB2 ASN A 683 13.776 13.510 12.737 1.00 0.00 H new ATOM 0 HB3 ASN A 683 13.471 15.236 12.730 1.00 0.00 H new ATOM 0 HD21 ASN A 683 10.599 15.004 14.974 1.00 0.00 H new ATOM 0 HD22 ASN A 683 11.111 15.818 13.492 1.00 0.00 H new TER 524 ASN A 683