USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 255 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 654 TYR OH : rot 180:sc= -0.16 USER MOD Set 1.2: A 680 ASN : amide:sc= -2.22 X(o=-2.4,f=-2.7!) USER MOD Single : A 655 SER OG : rot -75:sc= -5.65! USER MOD Single : A 657 GLN :FLIP amide:sc= -0.608 F(o=-1.6,f=-0.61) USER MOD Single : A 661 TYR OH : rot 180:sc= 0 USER MOD Single : A 662 TYR OH : rot 30:sc= -0.365 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 172:sc= -3.9! 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= -0.333 K(o=-0.33,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 13.894 1.380 9.160 1.00 0.00 N ATOM 2 CA GLY A 651 15.201 0.745 8.832 1.00 0.00 C ATOM 3 C GLY A 651 15.041 -0.658 8.281 1.00 0.00 C ATOM 4 O GLY A 651 15.658 -1.601 8.779 1.00 0.00 O ATOM 0 HA2 GLY A 651 15.728 1.361 8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 651 15.821 0.712 9.728 1.00 0.00 H new ATOM 9 N ALA A 652 14.211 -0.797 7.252 1.00 0.00 N ATOM 10 CA ALA A 652 13.973 -2.096 6.635 1.00 0.00 C ATOM 11 C ALA A 652 13.361 -1.941 5.249 1.00 0.00 C ATOM 12 O ALA A 652 13.763 -2.616 4.301 1.00 0.00 O ATOM 13 CB ALA A 652 13.072 -2.944 7.520 1.00 0.00 C ATOM 0 H ALA A 652 13.693 -0.027 6.829 1.00 0.00 H new ATOM 0 HA ALA A 652 14.934 -2.599 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 652 12.903 -3.911 7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 652 13.549 -3.093 8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 652 12.117 -2.437 7.660 1.00 0.00 H new ATOM 19 N ASP A 653 12.383 -1.051 5.139 1.00 0.00 N ATOM 20 CA ASP A 653 11.707 -0.804 3.871 1.00 0.00 C ATOM 21 C ASP A 653 10.949 -2.041 3.421 1.00 0.00 C ATOM 22 O ASP A 653 11.538 -3.015 2.949 1.00 0.00 O ATOM 23 CB ASP A 653 12.710 -0.375 2.798 1.00 0.00 C ATOM 24 CG ASP A 653 12.832 1.132 2.691 1.00 0.00 C ATOM 25 OD1 ASP A 653 11.896 1.768 2.163 1.00 0.00 O ATOM 26 OD2 ASP A 653 13.865 1.677 3.135 1.00 0.00 O ATOM 0 H ASP A 653 12.039 -0.486 5.915 1.00 0.00 H new ATOM 0 HA ASP A 653 10.993 0.006 4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 653 13.687 -0.801 3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 653 12.403 -0.781 1.834 1.00 0.00 H new ATOM 31 N TYR A 654 9.636 -1.993 3.581 1.00 0.00 N ATOM 32 CA TYR A 654 8.773 -3.107 3.205 1.00 0.00 C ATOM 33 C TYR A 654 7.324 -2.671 3.111 1.00 0.00 C ATOM 34 O TYR A 654 6.408 -3.471 3.301 1.00 0.00 O ATOM 35 CB TYR A 654 8.906 -4.241 4.221 1.00 0.00 C ATOM 36 CG TYR A 654 8.804 -3.807 5.679 1.00 0.00 C ATOM 37 CD1 TYR A 654 8.404 -2.515 6.050 1.00 0.00 C ATOM 38 CD2 TYR A 654 9.111 -4.706 6.693 1.00 0.00 C ATOM 39 CE1 TYR A 654 8.320 -2.152 7.382 1.00 0.00 C ATOM 40 CE2 TYR A 654 9.026 -4.345 8.024 1.00 0.00 C ATOM 41 CZ TYR A 654 8.630 -3.070 8.362 1.00 0.00 C ATOM 42 OH TYR A 654 8.545 -2.709 9.687 1.00 0.00 O ATOM 0 H TYR A 654 9.140 -1.191 3.971 1.00 0.00 H new ATOM 0 HA TYR A 654 9.089 -3.460 2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 654 8.131 -4.981 4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 654 9.866 -4.735 4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 654 8.158 -1.793 5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 654 9.422 -5.708 6.435 1.00 0.00 H new ATOM 0 HE1 TYR A 654 8.013 -1.153 7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 654 9.269 -5.060 8.796 1.00 0.00 H new ATOM 0 HH TYR A 654 8.796 -3.471 10.250 1.00 0.00 H new ATOM 52 N SER A 655 7.123 -1.404 2.799 1.00 0.00 N ATOM 53 CA SER A 655 5.787 -0.861 2.658 1.00 0.00 C ATOM 54 C SER A 655 5.643 -0.192 1.308 1.00 0.00 C ATOM 55 O SER A 655 4.757 0.634 1.088 1.00 0.00 O ATOM 56 CB SER A 655 5.495 0.121 3.781 1.00 0.00 C ATOM 57 OG SER A 655 6.654 0.339 4.566 1.00 0.00 O ATOM 0 H SER A 655 7.872 -0.730 2.638 1.00 0.00 H new ATOM 0 HA SER A 655 5.064 -1.674 2.722 1.00 0.00 H new ATOM 0 HB2 SER A 655 5.149 1.067 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 655 4.691 -0.264 4.408 1.00 0.00 H new ATOM 0 HG SER A 655 6.810 -0.439 5.141 1.00 0.00 H new ATOM 63 N ALA A 656 6.517 -0.583 0.403 1.00 0.00 N ATOM 64 CA ALA A 656 6.510 -0.071 -0.944 1.00 0.00 C ATOM 65 C ALA A 656 6.190 -1.193 -1.898 1.00 0.00 C ATOM 66 O ALA A 656 5.492 -1.002 -2.894 1.00 0.00 O ATOM 67 CB ALA A 656 7.852 0.537 -1.305 1.00 0.00 C ATOM 0 H ALA A 656 7.252 -1.266 0.585 1.00 0.00 H new ATOM 0 HA ALA A 656 5.753 0.710 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 656 7.817 0.915 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 656 8.076 1.357 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 656 8.629 -0.223 -1.226 1.00 0.00 H new ATOM 73 N GLN A 657 6.713 -2.374 -1.589 1.00 0.00 N ATOM 74 CA GLN A 657 6.475 -3.518 -2.434 1.00 0.00 C ATOM 75 C GLN A 657 5.055 -4.027 -2.249 1.00 0.00 C ATOM 76 O GLN A 657 4.408 -4.422 -3.213 1.00 0.00 O ATOM 77 CB GLN A 657 7.490 -4.629 -2.161 1.00 0.00 C ATOM 78 CG GLN A 657 8.033 -5.280 -3.423 1.00 0.00 C ATOM 79 CD GLN A 657 8.806 -4.310 -4.295 1.00 0.00 C ATOM 80 OE1 GLN A 657 8.188 -3.875 -5.386 1.00 0.00 O flip ATOM 81 NE2 GLN A 657 9.944 -3.956 -3.990 1.00 0.00 N flip ATOM 0 H GLN A 657 7.295 -2.555 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 657 6.599 -3.205 -3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 657 8.321 -4.218 -1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.022 -5.393 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 657 8.682 -6.111 -3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.206 -5.698 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 657 10.380 -4.316 -3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.452 -3.302 -4.586 1.00 0.00 H new ATOM 90 N TRP A 658 4.556 -3.972 -1.016 1.00 0.00 N ATOM 91 CA TRP A 658 3.189 -4.395 -0.742 1.00 0.00 C ATOM 92 C TRP A 658 2.253 -3.244 -1.050 1.00 0.00 C ATOM 93 O TRP A 658 1.058 -3.431 -1.273 1.00 0.00 O ATOM 94 CB TRP A 658 3.006 -4.820 0.719 1.00 0.00 C ATOM 95 CG TRP A 658 3.563 -6.172 1.021 1.00 0.00 C ATOM 96 CD1 TRP A 658 2.878 -7.287 1.413 1.00 0.00 C ATOM 97 CD2 TRP A 658 4.932 -6.543 0.956 1.00 0.00 C ATOM 98 NE1 TRP A 658 3.754 -8.332 1.596 1.00 0.00 N ATOM 99 CE2 TRP A 658 5.025 -7.897 1.320 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.087 -5.850 0.623 1.00 0.00 C ATOM 101 CZ2 TRP A 658 6.241 -8.573 1.359 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.298 -6.515 0.660 1.00 0.00 C ATOM 103 CH2 TRP A 658 7.367 -7.867 1.026 1.00 0.00 C ATOM 0 H TRP A 658 5.073 -3.642 -0.201 1.00 0.00 H new ATOM 0 HA TRP A 658 2.964 -5.258 -1.369 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.486 -4.085 1.365 1.00 0.00 H new ATOM 0 HB3 TRP A 658 1.943 -4.811 0.961 1.00 0.00 H new ATOM 0 HD1 TRP A 658 1.809 -7.340 1.558 1.00 0.00 H new ATOM 0 HE1 TRP A 658 3.500 -9.275 1.889 1.00 0.00 H new ATOM 0 HE3 TRP A 658 6.041 -4.809 0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 6.295 -9.614 1.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.204 -5.986 0.403 1.00 0.00 H new ATOM 0 HH2 TRP A 658 8.327 -8.362 1.046 1.00 0.00 H new ATOM 114 N ALA A 659 2.821 -2.041 -1.052 1.00 0.00 N ATOM 115 CA ALA A 659 2.061 -0.844 -1.319 1.00 0.00 C ATOM 116 C ALA A 659 1.673 -0.766 -2.793 1.00 0.00 C ATOM 117 O ALA A 659 0.711 -0.094 -3.153 1.00 0.00 O ATOM 118 CB ALA A 659 2.845 0.387 -0.877 1.00 0.00 C ATOM 0 H ALA A 659 3.811 -1.879 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 659 1.137 -0.878 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 659 2.261 1.284 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 659 3.048 0.325 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 659 3.787 0.434 -1.423 1.00 0.00 H new ATOM 124 N GLU A 660 2.410 -1.466 -3.652 1.00 0.00 N ATOM 125 CA GLU A 660 2.092 -1.456 -5.075 1.00 0.00 C ATOM 126 C GLU A 660 0.954 -2.418 -5.391 1.00 0.00 C ATOM 127 O GLU A 660 0.360 -2.357 -6.467 1.00 0.00 O ATOM 128 CB GLU A 660 3.327 -1.797 -5.912 1.00 0.00 C ATOM 129 CG GLU A 660 4.404 -0.727 -5.872 1.00 0.00 C ATOM 130 CD GLU A 660 5.781 -1.273 -6.195 1.00 0.00 C ATOM 131 OE1 GLU A 660 6.280 -2.117 -5.421 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.359 -0.858 -7.221 1.00 0.00 O ATOM 0 H GLU A 660 3.215 -2.036 -3.394 1.00 0.00 H new ATOM 0 HA GLU A 660 1.767 -0.448 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.748 -2.738 -5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.022 -1.955 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 660 4.154 0.061 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.421 -0.271 -4.882 1.00 0.00 H new ATOM 139 N TYR A 661 0.637 -3.290 -4.444 1.00 0.00 N ATOM 140 CA TYR A 661 -0.448 -4.238 -4.626 1.00 0.00 C ATOM 141 C TYR A 661 -1.747 -3.665 -4.091 1.00 0.00 C ATOM 142 O TYR A 661 -2.826 -4.180 -4.384 1.00 0.00 O ATOM 143 CB TYR A 661 -0.136 -5.558 -3.923 1.00 0.00 C ATOM 144 CG TYR A 661 1.075 -6.271 -4.477 1.00 0.00 C ATOM 145 CD1 TYR A 661 2.353 -5.946 -4.043 1.00 0.00 C ATOM 146 CD2 TYR A 661 0.937 -7.271 -5.429 1.00 0.00 C ATOM 147 CE1 TYR A 661 3.463 -6.601 -4.546 1.00 0.00 C ATOM 148 CE2 TYR A 661 2.038 -7.930 -5.937 1.00 0.00 C ATOM 149 CZ TYR A 661 3.300 -7.593 -5.492 1.00 0.00 C ATOM 150 OH TYR A 661 4.400 -8.246 -5.996 1.00 0.00 O ATOM 0 H TYR A 661 1.115 -3.359 -3.546 1.00 0.00 H new ATOM 0 HA TYR A 661 -0.556 -4.427 -5.694 1.00 0.00 H new ATOM 0 HB2 TYR A 661 0.021 -5.366 -2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 661 -1.002 -6.215 -4.003 1.00 0.00 H new ATOM 0 HD1 TYR A 661 2.483 -5.171 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 661 -0.049 -7.538 -5.779 1.00 0.00 H new ATOM 0 HE1 TYR A 661 4.452 -6.338 -4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 661 1.913 -8.705 -6.679 1.00 0.00 H new ATOM 0 HH TYR A 661 4.111 -8.916 -6.651 1.00 0.00 H new ATOM 160 N TYR A 662 -1.651 -2.591 -3.311 1.00 0.00 N ATOM 161 CA TYR A 662 -2.842 -1.978 -2.767 1.00 0.00 C ATOM 162 C TYR A 662 -3.573 -1.204 -3.851 1.00 0.00 C ATOM 163 O TYR A 662 -4.801 -1.181 -3.895 1.00 0.00 O ATOM 164 CB TYR A 662 -2.525 -1.095 -1.548 1.00 0.00 C ATOM 165 CG TYR A 662 -1.624 0.096 -1.793 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.782 0.919 -2.893 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.645 0.417 -0.882 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.975 2.023 -3.089 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.167 1.517 -1.056 1.00 0.00 C ATOM 170 CZ TYR A 662 0.004 2.318 -2.165 1.00 0.00 C ATOM 171 OH TYR A 662 0.811 3.417 -2.345 1.00 0.00 O ATOM 0 H TYR A 662 -0.774 -2.140 -3.050 1.00 0.00 H new ATOM 0 HA TYR A 662 -3.501 -2.770 -2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -3.466 -0.732 -1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.063 -1.721 -0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -2.553 0.694 -3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.509 -0.207 -0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -1.110 2.649 -3.958 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.928 1.750 -0.326 1.00 0.00 H new ATOM 0 HH TYR A 662 0.317 4.109 -2.833 1.00 0.00 H new ATOM 181 N ARG A 663 -2.806 -0.571 -4.728 1.00 0.00 N ATOM 182 CA ARG A 663 -3.378 0.208 -5.818 1.00 0.00 C ATOM 183 C ARG A 663 -3.773 -0.682 -6.994 1.00 0.00 C ATOM 184 O ARG A 663 -4.077 -0.182 -8.077 1.00 0.00 O ATOM 185 CB ARG A 663 -2.390 1.281 -6.284 1.00 0.00 C ATOM 186 CG ARG A 663 -1.018 0.738 -6.660 1.00 0.00 C ATOM 187 CD ARG A 663 -0.955 0.340 -8.125 1.00 0.00 C ATOM 188 NE ARG A 663 -0.164 1.281 -8.915 1.00 0.00 N ATOM 189 CZ ARG A 663 1.159 1.397 -8.824 1.00 0.00 C ATOM 190 NH1 ARG A 663 1.842 0.638 -7.977 1.00 0.00 N ATOM 191 NH2 ARG A 663 1.799 2.277 -9.580 1.00 0.00 N ATOM 0 H ARG A 663 -1.786 -0.581 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 663 -4.280 0.690 -5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -2.812 1.800 -7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -2.272 2.020 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -0.259 1.493 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -0.785 -0.126 -6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -0.524 -0.657 -8.211 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.966 0.287 -8.530 1.00 0.00 H new ATOM 0 HE ARG A 663 -0.654 1.884 -9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 663 1.354 -0.039 -7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 663 2.856 0.731 -7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 663 1.278 2.865 -10.231 1.00 0.00 H new ATOM 0 HH22 ARG A 663 2.813 2.367 -9.511 1.00 0.00 H new ATOM 205 N SER A 664 -3.769 -2.000 -6.790 1.00 0.00 N ATOM 206 CA SER A 664 -4.130 -2.921 -7.860 1.00 0.00 C ATOM 207 C SER A 664 -5.223 -3.897 -7.436 1.00 0.00 C ATOM 208 O SER A 664 -6.076 -4.267 -8.243 1.00 0.00 O ATOM 209 CB SER A 664 -2.899 -3.688 -8.343 1.00 0.00 C ATOM 210 OG SER A 664 -3.065 -4.133 -9.678 1.00 0.00 O ATOM 0 H SER A 664 -3.523 -2.446 -5.906 1.00 0.00 H new ATOM 0 HA SER A 664 -4.526 -2.321 -8.680 1.00 0.00 H new ATOM 0 HB2 SER A 664 -2.019 -3.048 -8.277 1.00 0.00 H new ATOM 0 HB3 SER A 664 -2.721 -4.543 -7.691 1.00 0.00 H new ATOM 0 HG SER A 664 -2.263 -4.619 -9.963 1.00 0.00 H new ATOM 216 N VAL A 665 -5.203 -4.306 -6.177 1.00 0.00 N ATOM 217 CA VAL A 665 -6.205 -5.231 -5.669 1.00 0.00 C ATOM 218 C VAL A 665 -7.337 -4.470 -4.989 1.00 0.00 C ATOM 219 O VAL A 665 -7.902 -4.930 -3.997 1.00 0.00 O ATOM 220 CB VAL A 665 -5.593 -6.236 -4.673 1.00 0.00 C ATOM 221 CG1 VAL A 665 -4.509 -7.064 -5.350 1.00 0.00 C ATOM 222 CG2 VAL A 665 -5.039 -5.516 -3.452 1.00 0.00 C ATOM 0 H VAL A 665 -4.507 -4.014 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 665 -6.598 -5.785 -6.521 1.00 0.00 H new ATOM 0 HB VAL A 665 -6.381 -6.911 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -4.088 -7.768 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -4.940 -7.613 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -3.722 -6.404 -5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 665 -4.612 -6.244 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -4.265 -4.814 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -5.842 -4.973 -2.954 1.00 0.00 H new ATOM 232 N GLY A 666 -7.651 -3.294 -5.526 1.00 0.00 N ATOM 233 CA GLY A 666 -8.702 -2.475 -4.954 1.00 0.00 C ATOM 234 C GLY A 666 -8.396 -2.100 -3.527 1.00 0.00 C ATOM 235 O GLY A 666 -9.301 -1.947 -2.706 1.00 0.00 O ATOM 0 H GLY A 666 -7.196 -2.895 -6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -8.825 -1.571 -5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -9.648 -3.015 -4.994 1.00 0.00 H new ATOM 239 N LYS A 667 -7.111 -1.952 -3.230 1.00 0.00 N ATOM 240 CA LYS A 667 -6.686 -1.590 -1.886 1.00 0.00 C ATOM 241 C LYS A 667 -6.221 -0.147 -1.823 1.00 0.00 C ATOM 242 O LYS A 667 -5.517 0.247 -0.899 1.00 0.00 O ATOM 243 CB LYS A 667 -5.568 -2.513 -1.408 1.00 0.00 C ATOM 244 CG LYS A 667 -5.902 -3.271 -0.134 1.00 0.00 C ATOM 245 CD LYS A 667 -5.218 -4.630 -0.096 1.00 0.00 C ATOM 246 CE LYS A 667 -4.099 -4.666 0.934 1.00 0.00 C ATOM 247 NZ LYS A 667 -4.461 -5.492 2.119 1.00 0.00 N ATOM 0 H LYS A 667 -6.350 -2.076 -3.898 1.00 0.00 H new ATOM 0 HA LYS A 667 -7.548 -1.703 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.339 -3.230 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.667 -1.922 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.594 -2.684 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -6.981 -3.404 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -5.952 -5.401 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -4.814 -4.862 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -3.195 -5.067 0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -3.869 -3.650 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -3.672 -5.491 2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -5.308 -5.095 2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -4.655 -6.468 1.816 1.00 0.00 H new ATOM 261 N ILE A 668 -6.614 0.634 -2.809 1.00 0.00 N ATOM 262 CA ILE A 668 -6.233 2.040 -2.866 1.00 0.00 C ATOM 263 C ILE A 668 -6.517 2.747 -1.543 1.00 0.00 C ATOM 264 O ILE A 668 -5.849 3.721 -1.198 1.00 0.00 O ATOM 265 CB ILE A 668 -6.955 2.779 -4.009 1.00 0.00 C ATOM 266 CG1 ILE A 668 -6.465 4.226 -4.106 1.00 0.00 C ATOM 267 CG2 ILE A 668 -8.462 2.736 -3.802 1.00 0.00 C ATOM 268 CD1 ILE A 668 -7.157 5.031 -5.185 1.00 0.00 C ATOM 0 H ILE A 668 -7.198 0.323 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 668 -5.160 2.065 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.723 2.275 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -6.617 4.717 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -5.392 4.225 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -8.957 3.263 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -8.797 1.699 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -8.713 3.216 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -6.758 6.045 -5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -6.984 4.564 -6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -8.228 5.064 -4.984 1.00 0.00 H new ATOM 280 N GLU A 669 -7.496 2.248 -0.798 1.00 0.00 N ATOM 281 CA GLU A 669 -7.827 2.844 0.493 1.00 0.00 C ATOM 282 C GLU A 669 -6.952 2.245 1.578 1.00 0.00 C ATOM 283 O GLU A 669 -6.283 2.971 2.314 1.00 0.00 O ATOM 284 CB GLU A 669 -9.311 2.655 0.824 1.00 0.00 C ATOM 285 CG GLU A 669 -9.740 1.200 0.913 1.00 0.00 C ATOM 286 CD GLU A 669 -11.237 1.045 1.089 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.976 1.991 0.745 1.00 0.00 O ATOM 288 OE2 GLU A 669 -11.671 -0.023 1.571 1.00 0.00 O ATOM 0 H GLU A 669 -8.068 1.445 -1.059 1.00 0.00 H new ATOM 0 HA GLU A 669 -7.636 3.916 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.527 3.146 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.910 3.155 0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -9.428 0.677 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -9.228 0.724 1.750 1.00 0.00 H new ATOM 295 N GLU A 670 -6.912 0.920 1.646 1.00 0.00 N ATOM 296 CA GLU A 670 -6.056 0.256 2.612 1.00 0.00 C ATOM 297 C GLU A 670 -4.607 0.612 2.299 1.00 0.00 C ATOM 298 O GLU A 670 -3.720 0.484 3.144 1.00 0.00 O ATOM 299 CB GLU A 670 -6.262 -1.260 2.569 1.00 0.00 C ATOM 300 CG GLU A 670 -6.951 -1.816 3.805 1.00 0.00 C ATOM 301 CD GLU A 670 -7.981 -2.877 3.470 1.00 0.00 C ATOM 302 OE1 GLU A 670 -8.719 -2.697 2.478 1.00 0.00 O ATOM 303 OE2 GLU A 670 -8.051 -3.888 4.200 1.00 0.00 O ATOM 0 H GLU A 670 -7.455 0.294 1.051 1.00 0.00 H new ATOM 0 HA GLU A 670 -6.309 0.591 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -6.853 -1.513 1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.294 -1.747 2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.202 -2.240 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.435 -1.002 4.344 1.00 0.00 H new ATOM 310 N ALA A 671 -4.387 1.081 1.067 1.00 0.00 N ATOM 311 CA ALA A 671 -3.074 1.485 0.608 1.00 0.00 C ATOM 312 C ALA A 671 -2.451 2.488 1.556 1.00 0.00 C ATOM 313 O ALA A 671 -1.296 2.340 1.953 1.00 0.00 O ATOM 314 CB ALA A 671 -3.188 2.085 -0.785 1.00 0.00 C ATOM 0 H ALA A 671 -5.121 1.188 0.367 1.00 0.00 H new ATOM 0 HA ALA A 671 -2.430 0.606 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.201 2.390 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.600 1.342 -1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -3.846 2.954 -0.754 1.00 0.00 H new ATOM 320 N GLU A 672 -3.217 3.508 1.931 1.00 0.00 N ATOM 321 CA GLU A 672 -2.701 4.520 2.845 1.00 0.00 C ATOM 322 C GLU A 672 -2.123 3.875 4.102 1.00 0.00 C ATOM 323 O GLU A 672 -1.327 4.487 4.812 1.00 0.00 O ATOM 324 CB GLU A 672 -3.798 5.521 3.217 1.00 0.00 C ATOM 325 CG GLU A 672 -4.410 6.227 2.018 1.00 0.00 C ATOM 326 CD GLU A 672 -5.816 6.724 2.289 1.00 0.00 C ATOM 327 OE1 GLU A 672 -6.498 6.134 3.155 1.00 0.00 O ATOM 328 OE2 GLU A 672 -6.235 7.704 1.639 1.00 0.00 O ATOM 0 H GLU A 672 -4.178 3.654 1.623 1.00 0.00 H new ATOM 0 HA GLU A 672 -1.900 5.056 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.585 4.999 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -3.383 6.267 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -3.779 7.070 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -4.428 5.544 1.169 1.00 0.00 H new ATOM 335 N ALA A 673 -2.522 2.636 4.369 1.00 0.00 N ATOM 336 CA ALA A 673 -2.037 1.913 5.533 1.00 0.00 C ATOM 337 C ALA A 673 -0.618 1.427 5.334 1.00 0.00 C ATOM 338 O ALA A 673 0.306 1.887 6.004 1.00 0.00 O ATOM 339 CB ALA A 673 -2.932 0.724 5.826 1.00 0.00 C ATOM 0 H ALA A 673 -3.181 2.113 3.792 1.00 0.00 H new ATOM 0 HA ALA A 673 -2.053 2.605 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -2.556 0.192 6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -3.947 1.072 6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -2.937 0.052 4.968 1.00 0.00 H new ATOM 345 N ILE A 674 -0.447 0.490 4.414 1.00 0.00 N ATOM 346 CA ILE A 674 0.867 -0.046 4.151 1.00 0.00 C ATOM 347 C ILE A 674 1.720 0.987 3.428 1.00 0.00 C ATOM 348 O ILE A 674 2.939 0.853 3.353 1.00 0.00 O ATOM 349 CB ILE A 674 0.788 -1.360 3.352 1.00 0.00 C ATOM 350 CG1 ILE A 674 2.198 -1.901 3.059 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.021 -1.154 2.082 1.00 0.00 C ATOM 352 CD1 ILE A 674 2.736 -1.527 1.696 1.00 0.00 C ATOM 0 H ILE A 674 -1.196 0.093 3.846 1.00 0.00 H new ATOM 0 HA ILE A 674 1.339 -0.277 5.106 1.00 0.00 H new ATOM 0 HB ILE A 674 0.274 -2.112 3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 674 2.883 -1.530 3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 674 2.183 -2.987 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -0.070 -2.090 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -1.030 -0.833 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 674 0.456 -0.391 1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 674 3.734 -1.948 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 674 2.076 -1.922 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 674 2.787 -0.442 1.610 1.00 0.00 H new ATOM 364 N GLU A 675 1.078 2.050 2.930 1.00 0.00 N ATOM 365 CA GLU A 675 1.802 3.113 2.260 1.00 0.00 C ATOM 366 C GLU A 675 2.439 4.024 3.299 1.00 0.00 C ATOM 367 O GLU A 675 3.471 4.644 3.044 1.00 0.00 O ATOM 368 CB GLU A 675 0.875 3.916 1.346 1.00 0.00 C ATOM 369 CG GLU A 675 1.616 4.807 0.364 1.00 0.00 C ATOM 370 CD GLU A 675 0.740 5.905 -0.204 1.00 0.00 C ATOM 371 OE1 GLU A 675 -0.425 5.617 -0.551 1.00 0.00 O ATOM 372 OE2 GLU A 675 1.219 7.055 -0.300 1.00 0.00 O ATOM 0 H GLU A 675 0.069 2.188 2.982 1.00 0.00 H new ATOM 0 HA GLU A 675 2.581 2.670 1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 675 0.239 3.227 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 675 0.218 4.532 1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 675 2.475 5.255 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 675 2.003 4.198 -0.453 1.00 0.00 H new ATOM 379 N LYS A 676 1.828 4.089 4.486 1.00 0.00 N ATOM 380 CA LYS A 676 2.365 4.914 5.559 1.00 0.00 C ATOM 381 C LYS A 676 3.471 4.178 6.301 1.00 0.00 C ATOM 382 O LYS A 676 4.176 4.772 7.118 1.00 0.00 O ATOM 383 CB LYS A 676 1.259 5.333 6.530 1.00 0.00 C ATOM 384 CG LYS A 676 1.459 6.722 7.115 1.00 0.00 C ATOM 385 CD LYS A 676 0.294 7.643 6.782 1.00 0.00 C ATOM 386 CE LYS A 676 0.603 8.515 5.575 1.00 0.00 C ATOM 387 NZ LYS A 676 1.487 9.659 5.928 1.00 0.00 N ATOM 0 H LYS A 676 0.973 3.585 4.721 1.00 0.00 H new ATOM 0 HA LYS A 676 2.788 5.814 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 676 0.300 5.300 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 676 1.207 4.609 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 676 1.568 6.649 8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 676 2.384 7.150 6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -0.597 7.048 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 676 0.071 8.275 7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 676 1.081 7.911 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -0.328 8.893 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 1.674 10.229 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 1.020 10.250 6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 2.386 9.299 6.308 1.00 0.00 H new ATOM 401 N THR A 677 3.652 2.896 5.993 1.00 0.00 N ATOM 402 CA THR A 677 4.714 2.131 6.623 1.00 0.00 C ATOM 403 C THR A 677 6.012 2.397 5.880 1.00 0.00 C ATOM 404 O THR A 677 7.101 2.243 6.432 1.00 0.00 O ATOM 405 CB THR A 677 4.396 0.633 6.636 1.00 0.00 C ATOM 406 OG1 THR A 677 3.272 0.352 5.822 1.00 0.00 O ATOM 407 CG2 THR A 677 4.099 0.101 8.021 1.00 0.00 C ATOM 0 H THR A 677 3.086 2.376 5.323 1.00 0.00 H new ATOM 0 HA THR A 677 4.810 2.445 7.662 1.00 0.00 H new ATOM 0 HB THR A 677 5.292 0.143 6.256 1.00 0.00 H new ATOM 0 HG1 THR A 677 3.163 -0.618 5.739 1.00 0.00 H new ATOM 0 HG21 THR A 677 3.882 -0.965 7.962 1.00 0.00 H new ATOM 0 HG22 THR A 677 4.964 0.260 8.665 1.00 0.00 H new ATOM 0 HG23 THR A 677 3.237 0.625 8.435 1.00 0.00 H new ATOM 415 N LEU A 678 5.884 2.817 4.616 1.00 0.00 N ATOM 416 CA LEU A 678 7.042 3.129 3.794 1.00 0.00 C ATOM 417 C LEU A 678 7.941 4.109 4.530 1.00 0.00 C ATOM 418 O LEU A 678 9.166 4.048 4.422 1.00 0.00 O ATOM 419 CB LEU A 678 6.602 3.717 2.449 1.00 0.00 C ATOM 420 CG LEU A 678 7.140 2.985 1.219 1.00 0.00 C ATOM 421 CD1 LEU A 678 6.236 3.221 0.019 1.00 0.00 C ATOM 422 CD2 LEU A 678 8.561 3.433 0.914 1.00 0.00 C ATOM 0 H LEU A 678 4.987 2.946 4.147 1.00 0.00 H new ATOM 0 HA LEU A 678 7.597 2.211 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 678 5.513 3.715 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 678 6.921 4.758 2.402 1.00 0.00 H new ATOM 0 HG LEU A 678 7.154 1.916 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 678 6.635 2.692 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 678 5.234 2.852 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 678 6.190 4.288 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 678 8.929 2.903 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 678 8.571 4.506 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 678 9.203 3.212 1.767 1.00 0.00 H new ATOM 434 N LYS A 679 7.320 4.998 5.303 1.00 0.00 N ATOM 435 CA LYS A 679 8.071 5.973 6.084 1.00 0.00 C ATOM 436 C LYS A 679 9.048 5.263 7.026 1.00 0.00 C ATOM 437 O LYS A 679 10.003 5.866 7.513 1.00 0.00 O ATOM 438 CB LYS A 679 7.118 6.864 6.884 1.00 0.00 C ATOM 439 CG LYS A 679 7.330 8.350 6.646 1.00 0.00 C ATOM 440 CD LYS A 679 8.532 8.871 7.416 1.00 0.00 C ATOM 441 CE LYS A 679 8.678 10.378 7.273 1.00 0.00 C ATOM 442 NZ LYS A 679 9.872 10.746 6.464 1.00 0.00 N ATOM 0 H LYS A 679 6.307 5.062 5.404 1.00 0.00 H new ATOM 0 HA LYS A 679 8.641 6.600 5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 679 6.091 6.606 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 679 7.243 6.653 7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 679 7.472 8.532 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 679 6.438 8.899 6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 679 8.429 8.613 8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 679 9.436 8.381 7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 679 7.782 10.787 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 679 8.756 10.831 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 9.936 11.781 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 10.729 10.378 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 9.786 10.336 5.512 1.00 0.00 H new ATOM 456 N ASN A 680 8.796 3.972 7.273 1.00 0.00 N ATOM 457 CA ASN A 680 9.644 3.164 8.149 1.00 0.00 C ATOM 458 C ASN A 680 11.125 3.412 7.873 1.00 0.00 C ATOM 459 O ASN A 680 11.699 2.840 6.947 1.00 0.00 O ATOM 460 CB ASN A 680 9.319 1.674 7.969 1.00 0.00 C ATOM 461 CG ASN A 680 10.138 0.788 8.887 1.00 0.00 C ATOM 462 OD1 ASN A 680 11.368 0.841 8.884 1.00 0.00 O ATOM 463 ND2 ASN A 680 9.460 -0.033 9.680 1.00 0.00 N ATOM 0 H ASN A 680 8.006 3.465 6.874 1.00 0.00 H new ATOM 0 HA ASN A 680 9.439 3.457 9.179 1.00 0.00 H new ATOM 0 HB2 ASN A 680 8.259 1.510 8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 680 9.503 1.388 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 680 9.959 -0.652 10.319 1.00 0.00 H new ATOM 0 HD22 ASN A 680 8.441 -0.045 9.650 1.00 0.00 H new ATOM 470 N LYS A 681 11.737 4.269 8.686 1.00 0.00 N ATOM 471 CA LYS A 681 13.149 4.594 8.533 1.00 0.00 C ATOM 472 C LYS A 681 13.656 5.391 9.731 1.00 0.00 C ATOM 473 O LYS A 681 13.938 6.585 9.622 1.00 0.00 O ATOM 474 CB LYS A 681 13.375 5.387 7.243 1.00 0.00 C ATOM 475 CG LYS A 681 14.843 5.620 6.921 1.00 0.00 C ATOM 476 CD LYS A 681 15.112 7.069 6.548 1.00 0.00 C ATOM 477 CE LYS A 681 16.575 7.293 6.204 1.00 0.00 C ATOM 478 NZ LYS A 681 16.787 8.586 5.494 1.00 0.00 N ATOM 0 H LYS A 681 11.275 4.750 9.458 1.00 0.00 H new ATOM 0 HA LYS A 681 13.708 3.660 8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 681 12.910 4.855 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 681 12.872 6.351 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 681 15.453 5.346 7.782 1.00 0.00 H new ATOM 0 HG3 LYS A 681 15.143 4.970 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 681 14.490 7.348 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 681 14.829 7.718 7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 681 17.169 7.279 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 681 16.931 6.473 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 17.798 8.701 5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 16.240 8.590 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 16.471 9.370 6.100 1.00 0.00 H new ATOM 492 N GLN A 682 13.770 4.723 10.874 1.00 0.00 N ATOM 493 CA GLN A 682 14.243 5.369 12.093 1.00 0.00 C ATOM 494 C GLN A 682 15.767 5.375 12.150 1.00 0.00 C ATOM 495 O GLN A 682 16.404 4.322 12.113 1.00 0.00 O ATOM 496 CB GLN A 682 13.677 4.660 13.325 1.00 0.00 C ATOM 497 CG GLN A 682 12.196 4.340 13.217 1.00 0.00 C ATOM 498 CD GLN A 682 11.742 3.324 14.248 1.00 0.00 C ATOM 499 OE1 GLN A 682 11.664 3.624 15.439 1.00 0.00 O ATOM 500 NE2 GLN A 682 11.439 2.114 13.792 1.00 0.00 N ATOM 0 H GLN A 682 13.541 3.735 10.982 1.00 0.00 H new ATOM 0 HA GLN A 682 13.894 6.402 12.085 1.00 0.00 H new ATOM 0 HB2 GLN A 682 14.229 3.734 13.486 1.00 0.00 H new ATOM 0 HB3 GLN A 682 13.842 5.286 14.202 1.00 0.00 H new ATOM 0 HG2 GLN A 682 11.620 5.257 13.338 1.00 0.00 H new ATOM 0 HG3 GLN A 682 11.982 3.959 12.218 1.00 0.00 H new ATOM 0 HE21 GLN A 682 11.518 1.910 12.796 1.00 0.00 H new ATOM 0 HE22 GLN A 682 11.127 1.389 14.438 1.00 0.00 H new ATOM 509 N ASN A 683 16.347 6.568 12.239 1.00 0.00 N ATOM 510 CA ASN A 683 17.796 6.711 12.301 1.00 0.00 C ATOM 511 C ASN A 683 18.243 7.128 13.699 1.00 0.00 C ATOM 512 O ASN A 683 17.892 8.249 14.122 1.00 0.00 O ATOM 513 CB ASN A 683 18.274 7.739 11.274 1.00 0.00 C ATOM 514 CG ASN A 683 19.779 7.719 11.091 1.00 0.00 C ATOM 515 OD1 ASN A 683 20.534 7.769 12.062 1.00 0.00 O ATOM 516 ND2 ASN A 683 20.222 7.645 9.842 1.00 0.00 N ATOM 517 OXT ASN A 683 18.939 6.328 14.360 1.00 0.00 O ATOM 0 H ASN A 683 15.835 7.450 12.270 1.00 0.00 H new ATOM 0 HA ASN A 683 18.240 5.743 12.070 1.00 0.00 H new ATOM 0 HB2 ASN A 683 17.792 7.542 10.316 1.00 0.00 H new ATOM 0 HB3 ASN A 683 17.963 8.735 11.589 1.00 0.00 H new ATOM 0 HD21 ASN A 683 21.225 7.628 9.657 1.00 0.00 H new ATOM 0 HD22 ASN A 683 19.560 7.606 9.067 1.00 0.00 H new TER 524 ASN A 683