USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 913 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 16 THR OG1 : rot -130:sc= -1.1 USER MOD Set 1.2: C 125 DT C7 :methyl 150:sc= -1.4 (180deg=-0.48) USER MOD Single : A 1 LYS N :NH3+ 162:sc= -0.188 (180deg=-0.822) USER MOD Single : A 1 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0839) USER MOD Single : A 5 THR OG1 : rot -68:sc= -2.15! USER MOD Single : A 8 SER OG : rot 85:sc= 0.217 USER MOD Single : A 9 ASN : amide:sc= -2.51! C(o=-2.5!,f=-2.5!) USER MOD Single : A 11 GLN :FLIP amide:sc=-0.00975 F(o=-1,f=-0.0098) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 51:sc= 0.124 USER MOD Single : A 14 THR OG1 : rot 59:sc= 0.707 USER MOD Single : A 15 THR OG1 : rot -137:sc= 0.687 USER MOD Single : A 21 SER OG : rot 180:sc=-0.000614 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -2.09 F(o=-3.7!,f=-2.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HE2:sc= -2.97 K(o=-3,f=-5!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.943 K(o=-0.94,f=-1.5) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 174:sc= -0.34 (180deg=-0.401) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.92 K(o=-2.9,f=-5.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 55 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.015) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 1.09 (180deg=1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00397) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 DG O5' : rot 180:sc= -0.0725 USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.826 (180deg=-1.3) USER MOD Single : B 103 DT C7 :methyl -30:sc= -1.84 (180deg=-2.24!) USER MOD Single : B 109 DT C7 :methyl 150:sc= -2.58! (180deg=-2.58!) USER MOD Single : B 115 DT C7 :methyl -30:sc= -0.551 (180deg=-0.595) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.0872 (180deg=-0.0872) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 81:sc= -1.97! USER MOD Single : C 119 DT C7 :methyl -30:sc= -0.595 (180deg=-1.04) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.935 (180deg=-0.935) USER MOD Single : C 122 DT C7 :methyl 150:sc= -1.62! (180deg=-1.62!) USER MOD Single : C 123 DT C7 :methyl -30:sc= -1.26 (180deg=-2.14!) USER MOD Single : C 127 DT C7 :methyl -30:sc= -1.99 (180deg=-2.17!) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 17.911 24.318 8.118 1.00 0.00 O ATOM 2 C5' DG B 101 18.498 23.975 9.376 1.00 0.00 C ATOM 3 C4' DG B 101 17.623 22.987 10.153 1.00 0.00 C ATOM 4 O4' DG B 101 16.415 23.640 10.605 1.00 0.00 O ATOM 5 C3' DG B 101 17.209 21.789 9.293 1.00 0.00 C ATOM 6 O3' DG B 101 17.376 20.574 10.032 1.00 0.00 O ATOM 7 C2' DG B 101 15.751 22.015 8.977 1.00 0.00 C ATOM 8 C1' DG B 101 15.255 23.058 9.966 1.00 0.00 C ATOM 9 N9 DG B 101 14.455 24.102 9.295 1.00 0.00 N ATOM 10 C8 DG B 101 14.766 24.871 8.210 1.00 0.00 C ATOM 11 N7 DG B 101 13.868 25.752 7.882 1.00 0.00 N ATOM 12 C5 DG B 101 12.865 25.552 8.829 1.00 0.00 C ATOM 13 C6 DG B 101 11.620 26.219 8.995 1.00 0.00 C ATOM 14 O6 DG B 101 11.150 27.136 8.325 1.00 0.00 O ATOM 15 N1 DG B 101 10.910 25.711 10.076 1.00 0.00 N ATOM 16 C2 DG B 101 11.337 24.685 10.893 1.00 0.00 C ATOM 17 N2 DG B 101 10.501 24.312 11.862 1.00 0.00 N ATOM 18 N3 DG B 101 12.507 24.058 10.741 1.00 0.00 N ATOM 19 C4 DG B 101 13.216 24.542 9.695 1.00 0.00 C ATOM 0 H5' DG B 101 18.644 24.878 9.969 1.00 0.00 H new ATOM 0 H5'' DG B 101 19.483 23.539 9.212 1.00 0.00 H new ATOM 0 H4' DG B 101 18.219 22.636 10.996 1.00 0.00 H new ATOM 0 H3' DG B 101 17.812 21.702 8.389 1.00 0.00 H new ATOM 0 H2' DG B 101 15.625 22.361 7.951 1.00 0.00 H new ATOM 0 H2'' DG B 101 15.185 21.089 9.073 1.00 0.00 H new ATOM 0 HO5' DG B 101 18.493 24.951 7.647 1.00 0.00 H new ATOM 0 H1' DG B 101 14.604 22.588 10.703 1.00 0.00 H new ATOM 0 H8 DG B 101 15.691 24.756 7.664 1.00 0.00 H new ATOM 0 H1 DG B 101 10.003 26.129 10.281 1.00 0.00 H new ATOM 0 H21 DG B 101 10.761 23.558 12.498 1.00 0.00 H new ATOM 0 H22 DG B 101 9.601 24.780 11.967 1.00 0.00 H new ATOM 32 P DT B 102 16.994 19.144 9.394 1.00 0.00 P ATOM 33 OP1 DT B 102 17.901 18.125 9.969 1.00 0.00 O ATOM 34 OP2 DT B 102 16.903 19.304 7.926 1.00 0.00 O ATOM 35 O5' DT B 102 15.505 18.876 9.965 1.00 0.00 O ATOM 36 C5' DT B 102 15.277 18.804 11.378 1.00 0.00 C ATOM 37 C4' DT B 102 13.802 18.543 11.731 1.00 0.00 C ATOM 38 O4' DT B 102 12.982 19.705 11.444 1.00 0.00 O ATOM 39 C3' DT B 102 13.222 17.356 10.949 1.00 0.00 C ATOM 40 O3' DT B 102 12.790 16.329 11.849 1.00 0.00 O ATOM 41 C2' DT B 102 12.034 17.906 10.192 1.00 0.00 C ATOM 42 C1' DT B 102 11.792 19.317 10.717 1.00 0.00 C ATOM 43 N1 DT B 102 11.499 20.287 9.619 1.00 0.00 N ATOM 44 C2 DT B 102 10.301 20.998 9.660 1.00 0.00 C ATOM 45 O2 DT B 102 9.464 20.817 10.541 1.00 0.00 O ATOM 46 N3 DT B 102 10.104 21.921 8.647 1.00 0.00 N ATOM 47 C4 DT B 102 10.980 22.188 7.609 1.00 0.00 C ATOM 48 O4 DT B 102 10.705 23.029 6.757 1.00 0.00 O ATOM 49 C5 DT B 102 12.192 21.401 7.642 1.00 0.00 C ATOM 50 C7 DT B 102 13.234 21.601 6.536 1.00 0.00 C ATOM 51 C6 DT B 102 12.407 20.495 8.626 1.00 0.00 C ATOM 0 H5' DT B 102 15.597 19.737 11.841 1.00 0.00 H new ATOM 0 H5'' DT B 102 15.893 18.011 11.801 1.00 0.00 H new ATOM 0 H4' DT B 102 13.784 18.318 12.797 1.00 0.00 H new ATOM 0 H3' DT B 102 13.964 16.917 10.282 1.00 0.00 H new ATOM 0 H2' DT B 102 12.232 17.921 9.120 1.00 0.00 H new ATOM 0 H2'' DT B 102 11.155 17.280 10.345 1.00 0.00 H new ATOM 0 H1' DT B 102 10.914 19.326 11.363 1.00 0.00 H new ATOM 0 H3 DT B 102 9.234 22.453 8.667 1.00 0.00 H new ATOM 0 H71 DT B 102 12.734 21.902 5.615 1.00 0.00 H new ATOM 0 H72 DT B 102 13.939 22.376 6.836 1.00 0.00 H new ATOM 0 H73 DT B 102 13.771 20.667 6.369 1.00 0.00 H new ATOM 0 H6 DT B 102 13.323 19.923 8.623 1.00 0.00 H new ATOM 64 P DT B 103 12.137 14.961 11.298 1.00 0.00 P ATOM 65 OP1 DT B 103 12.333 13.912 12.324 1.00 0.00 O ATOM 66 OP2 DT B 103 12.617 14.741 9.917 1.00 0.00 O ATOM 67 O5' DT B 103 10.564 15.316 11.240 1.00 0.00 O ATOM 68 C5' DT B 103 9.886 15.685 12.441 1.00 0.00 C ATOM 69 C4' DT B 103 8.410 16.035 12.218 1.00 0.00 C ATOM 70 O4' DT B 103 8.290 17.295 11.519 1.00 0.00 O ATOM 71 C3' DT B 103 7.656 14.972 11.409 1.00 0.00 C ATOM 72 O3' DT B 103 6.588 14.460 12.203 1.00 0.00 O ATOM 73 C2' DT B 103 7.090 15.704 10.206 1.00 0.00 C ATOM 74 C1' DT B 103 7.304 17.193 10.473 1.00 0.00 C ATOM 75 N1 DT B 103 7.756 17.919 9.254 1.00 0.00 N ATOM 76 C2 DT B 103 6.977 18.967 8.781 1.00 0.00 C ATOM 77 O2 DT B 103 5.923 19.294 9.322 1.00 0.00 O ATOM 78 N3 DT B 103 7.459 19.627 7.667 1.00 0.00 N ATOM 79 C4 DT B 103 8.631 19.336 6.992 1.00 0.00 C ATOM 80 O4 DT B 103 8.965 19.987 6.008 1.00 0.00 O ATOM 81 C5 DT B 103 9.374 18.231 7.550 1.00 0.00 C ATOM 82 C7 DT B 103 10.691 17.813 6.887 1.00 0.00 C ATOM 83 C6 DT B 103 8.920 17.572 8.641 1.00 0.00 C ATOM 0 H5' DT B 103 10.392 16.541 12.888 1.00 0.00 H new ATOM 0 H5'' DT B 103 9.954 14.865 13.156 1.00 0.00 H new ATOM 0 H4' DT B 103 7.965 16.092 13.211 1.00 0.00 H new ATOM 0 H3' DT B 103 8.297 14.142 11.112 1.00 0.00 H new ATOM 0 H2' DT B 103 7.595 15.396 9.290 1.00 0.00 H new ATOM 0 H2'' DT B 103 6.031 15.480 10.077 1.00 0.00 H new ATOM 0 H1' DT B 103 6.363 17.655 10.770 1.00 0.00 H new ATOM 0 H3 DT B 103 6.899 20.401 7.309 1.00 0.00 H new ATOM 0 H71 DT B 103 10.647 18.032 5.820 1.00 0.00 H new ATOM 0 H72 DT B 103 11.516 18.365 7.337 1.00 0.00 H new ATOM 0 H73 DT B 103 10.848 16.744 7.032 1.00 0.00 H new ATOM 0 H6 DT B 103 9.497 16.749 9.036 1.00 0.00 H new ATOM 96 P DG B 104 5.626 13.275 11.699 1.00 0.00 P ATOM 97 OP1 DG B 104 5.030 12.624 12.887 1.00 0.00 O ATOM 98 OP2 DG B 104 6.361 12.466 10.702 1.00 0.00 O ATOM 99 O5' DG B 104 4.472 14.095 10.939 1.00 0.00 O ATOM 100 C5' DG B 104 3.695 15.050 11.657 1.00 0.00 C ATOM 101 C4' DG B 104 2.650 15.727 10.769 1.00 0.00 C ATOM 102 O4' DG B 104 3.314 16.573 9.797 1.00 0.00 O ATOM 103 C3' DG B 104 1.805 14.711 9.998 1.00 0.00 C ATOM 104 O3' DG B 104 0.420 15.040 10.145 1.00 0.00 O ATOM 105 C2' DG B 104 2.218 14.855 8.555 1.00 0.00 C ATOM 106 C1' DG B 104 2.972 16.176 8.448 1.00 0.00 C ATOM 107 N9 DG B 104 4.184 16.060 7.599 1.00 0.00 N ATOM 108 C8 DG B 104 5.162 15.102 7.595 1.00 0.00 C ATOM 109 N7 DG B 104 6.089 15.259 6.698 1.00 0.00 N ATOM 110 C5 DG B 104 5.703 16.422 6.037 1.00 0.00 C ATOM 111 C6 DG B 104 6.325 17.103 4.953 1.00 0.00 C ATOM 112 O6 DG B 104 7.355 16.802 4.355 1.00 0.00 O ATOM 113 N1 DG B 104 5.613 18.238 4.587 1.00 0.00 N ATOM 114 C2 DG B 104 4.448 18.670 5.184 1.00 0.00 C ATOM 115 N2 DG B 104 3.917 19.794 4.695 1.00 0.00 N ATOM 116 N3 DG B 104 3.857 18.032 6.204 1.00 0.00 N ATOM 117 C4 DG B 104 4.537 16.920 6.578 1.00 0.00 C ATOM 0 H5' DG B 104 4.354 15.807 12.082 1.00 0.00 H new ATOM 0 H5'' DG B 104 3.196 14.557 12.491 1.00 0.00 H new ATOM 0 H4' DG B 104 1.999 16.305 11.425 1.00 0.00 H new ATOM 0 H3' DG B 104 1.951 13.693 10.359 1.00 0.00 H new ATOM 0 H2' DG B 104 2.850 14.022 8.248 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.347 14.852 7.900 1.00 0.00 H new ATOM 0 H1' DG B 104 2.346 16.927 7.966 1.00 0.00 H new ATOM 0 H8 DG B 104 5.163 14.274 8.289 1.00 0.00 H new ATOM 0 H1 DG B 104 5.981 18.795 3.816 1.00 0.00 H new ATOM 0 H21 DG B 104 3.055 20.166 5.093 1.00 0.00 H new ATOM 0 H22 DG B 104 4.374 20.280 3.923 1.00 0.00 H new ATOM 129 P DC B 105 -0.746 14.166 9.455 1.00 0.00 P ATOM 130 OP1 DC B 105 -1.969 14.320 10.274 1.00 0.00 O ATOM 131 OP2 DC B 105 -0.209 12.813 9.190 1.00 0.00 O ATOM 132 O5' DC B 105 -1.007 14.887 8.034 1.00 0.00 O ATOM 133 C5' DC B 105 -1.427 16.255 7.981 1.00 0.00 C ATOM 134 C4' DC B 105 -1.629 16.749 6.539 1.00 0.00 C ATOM 135 O4' DC B 105 -0.370 16.892 5.838 1.00 0.00 O ATOM 136 C3' DC B 105 -2.507 15.780 5.737 1.00 0.00 C ATOM 137 O3' DC B 105 -3.688 16.450 5.289 1.00 0.00 O ATOM 138 C2' DC B 105 -1.668 15.352 4.553 1.00 0.00 C ATOM 139 C1' DC B 105 -0.438 16.247 4.542 1.00 0.00 C ATOM 140 N1 DC B 105 0.816 15.488 4.276 1.00 0.00 N ATOM 141 C2 DC B 105 1.580 15.834 3.163 1.00 0.00 C ATOM 142 O2 DC B 105 1.175 16.692 2.382 1.00 0.00 O ATOM 143 N3 DC B 105 2.772 15.203 2.973 1.00 0.00 N ATOM 144 C4 DC B 105 3.201 14.273 3.834 1.00 0.00 C ATOM 145 N4 DC B 105 4.382 13.687 3.630 1.00 0.00 N ATOM 146 C5 DC B 105 2.418 13.910 4.974 1.00 0.00 C ATOM 147 C6 DC B 105 1.238 14.539 5.148 1.00 0.00 C ATOM 0 H5' DC B 105 -0.684 16.880 8.476 1.00 0.00 H new ATOM 0 H5'' DC B 105 -2.359 16.368 8.535 1.00 0.00 H new ATOM 0 H4' DC B 105 -2.116 17.721 6.618 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.822 14.925 6.336 1.00 0.00 H new ATOM 0 H2' DC B 105 -1.383 14.304 4.640 1.00 0.00 H new ATOM 0 H2'' DC B 105 -2.229 15.454 3.624 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.527 16.975 3.736 1.00 0.00 H new ATOM 0 H41 DC B 105 4.718 12.977 4.280 1.00 0.00 H new ATOM 0 H42 DC B 105 4.949 13.949 2.824 1.00 0.00 H new ATOM 0 H5 DC B 105 2.759 13.159 5.671 1.00 0.00 H new ATOM 0 H6 DC B 105 0.619 14.283 5.995 1.00 0.00 H new ATOM 159 P DA B 106 -4.815 15.673 4.440 1.00 0.00 P ATOM 160 OP1 DA B 106 -6.100 16.382 4.635 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.716 14.232 4.759 1.00 0.00 O ATOM 162 O5' DA B 106 -4.353 15.886 2.909 1.00 0.00 O ATOM 163 C5' DA B 106 -4.317 17.203 2.351 1.00 0.00 C ATOM 164 C4' DA B 106 -3.855 17.215 0.887 1.00 0.00 C ATOM 165 O4' DA B 106 -2.439 16.914 0.764 1.00 0.00 O ATOM 166 C3' DA B 106 -4.624 16.201 0.036 1.00 0.00 C ATOM 167 O3' DA B 106 -5.273 16.873 -1.035 1.00 0.00 O ATOM 168 C2' DA B 106 -3.581 15.251 -0.516 1.00 0.00 C ATOM 169 C1' DA B 106 -2.223 15.875 -0.225 1.00 0.00 C ATOM 170 N9 DA B 106 -1.276 14.868 0.275 1.00 0.00 N ATOM 171 C8 DA B 106 -1.421 14.087 1.357 1.00 0.00 C ATOM 172 N7 DA B 106 -0.423 13.310 1.629 1.00 0.00 N ATOM 173 C5 DA B 106 0.482 13.599 0.612 1.00 0.00 C ATOM 174 C6 DA B 106 1.753 13.100 0.319 1.00 0.00 C ATOM 175 N6 DA B 106 2.360 12.181 1.069 1.00 0.00 N ATOM 176 N1 DA B 106 2.375 13.588 -0.765 1.00 0.00 N ATOM 177 C2 DA B 106 1.782 14.514 -1.517 1.00 0.00 C ATOM 178 N3 DA B 106 0.576 15.061 -1.326 1.00 0.00 N ATOM 179 C4 DA B 106 -0.025 14.548 -0.229 1.00 0.00 C ATOM 0 H5' DA B 106 -3.647 17.826 2.944 1.00 0.00 H new ATOM 0 H5'' DA B 106 -5.310 17.649 2.418 1.00 0.00 H new ATOM 0 H4' DA B 106 -4.052 18.225 0.527 1.00 0.00 H new ATOM 0 H3' DA B 106 -5.382 15.676 0.617 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.665 14.270 -0.048 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.718 15.106 -1.587 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.789 16.290 -1.135 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.315 14.106 1.963 1.00 0.00 H new ATOM 0 H61 DA B 106 3.289 11.847 0.814 1.00 0.00 H new ATOM 0 H62 DA B 106 1.895 11.811 1.898 1.00 0.00 H new ATOM 0 H2 DA B 106 2.336 14.862 -2.376 1.00 0.00 H new ATOM 191 P DG B 107 -6.157 16.063 -2.095 1.00 0.00 P ATOM 192 OP1 DG B 107 -7.134 16.991 -2.709 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.613 14.802 -1.469 1.00 0.00 O ATOM 194 O5' DG B 107 -5.029 15.716 -3.178 1.00 0.00 O ATOM 195 C5' DG B 107 -4.324 16.767 -3.831 1.00 0.00 C ATOM 196 C4' DG B 107 -3.260 16.216 -4.772 1.00 0.00 C ATOM 197 O4' DG B 107 -2.161 15.612 -4.036 1.00 0.00 O ATOM 198 C3' DG B 107 -3.843 15.144 -5.696 1.00 0.00 C ATOM 199 O3' DG B 107 -3.705 15.554 -7.056 1.00 0.00 O ATOM 200 C2' DG B 107 -3.031 13.901 -5.429 1.00 0.00 C ATOM 201 C1' DG B 107 -1.816 14.346 -4.641 1.00 0.00 C ATOM 202 N9 DG B 107 -1.398 13.331 -3.637 1.00 0.00 N ATOM 203 C8 DG B 107 -2.087 12.800 -2.572 1.00 0.00 C ATOM 204 N7 DG B 107 -1.439 11.933 -1.877 1.00 0.00 N ATOM 205 C5 DG B 107 -0.210 11.855 -2.511 1.00 0.00 C ATOM 206 C6 DG B 107 0.914 11.058 -2.190 1.00 0.00 C ATOM 207 O6 DG B 107 1.034 10.260 -1.268 1.00 0.00 O ATOM 208 N1 DG B 107 1.959 11.265 -3.075 1.00 0.00 N ATOM 209 C2 DG B 107 1.931 12.135 -4.141 1.00 0.00 C ATOM 210 N2 DG B 107 3.040 12.184 -4.883 1.00 0.00 N ATOM 211 N3 DG B 107 0.869 12.896 -4.451 1.00 0.00 N ATOM 212 C4 DG B 107 -0.166 12.703 -3.592 1.00 0.00 C ATOM 0 H5' DG B 107 -3.856 17.412 -3.087 1.00 0.00 H new ATOM 0 H5'' DG B 107 -5.025 17.385 -4.392 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.897 17.062 -5.356 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.904 14.973 -5.516 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.613 13.170 -4.867 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.735 13.422 -6.362 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.951 14.460 -5.294 1.00 0.00 H new ATOM 0 H8 DG B 107 -3.100 13.090 -2.336 1.00 0.00 H new ATOM 0 H1 DG B 107 2.815 10.732 -2.925 1.00 0.00 H new ATOM 0 H21 DG B 107 3.087 12.808 -5.689 1.00 0.00 H new ATOM 0 H22 DG B 107 3.840 11.598 -4.644 1.00 0.00 H new ATOM 224 P DA B 108 -4.225 14.637 -8.269 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.723 15.529 -9.340 1.00 0.00 O ATOM 226 OP2 DA B 108 -5.114 13.596 -7.706 1.00 0.00 O ATOM 227 O5' DA B 108 -2.877 13.921 -8.795 1.00 0.00 O ATOM 228 C5' DA B 108 -1.799 14.730 -9.275 1.00 0.00 C ATOM 229 C4' DA B 108 -0.597 13.904 -9.756 1.00 0.00 C ATOM 230 O4' DA B 108 0.093 13.269 -8.645 1.00 0.00 O ATOM 231 C3' DA B 108 -1.028 12.799 -10.726 1.00 0.00 C ATOM 232 O3' DA B 108 -0.240 12.871 -11.916 1.00 0.00 O ATOM 233 C2' DA B 108 -0.777 11.503 -9.998 1.00 0.00 C ATOM 234 C1' DA B 108 0.142 11.831 -8.835 1.00 0.00 C ATOM 235 N9 DA B 108 -0.261 11.119 -7.601 1.00 0.00 N ATOM 236 C8 DA B 108 -1.466 11.133 -6.961 1.00 0.00 C ATOM 237 N7 DA B 108 -1.503 10.498 -5.833 1.00 0.00 N ATOM 238 C5 DA B 108 -0.208 10.007 -5.705 1.00 0.00 C ATOM 239 C6 DA B 108 0.411 9.239 -4.717 1.00 0.00 C ATOM 240 N6 DA B 108 -0.206 8.872 -3.598 1.00 0.00 N ATOM 241 N1 DA B 108 1.700 8.911 -4.901 1.00 0.00 N ATOM 242 C2 DA B 108 2.348 9.322 -5.990 1.00 0.00 C ATOM 243 N3 DA B 108 1.858 10.064 -6.985 1.00 0.00 N ATOM 244 C4 DA B 108 0.559 10.372 -6.775 1.00 0.00 C ATOM 0 H5' DA B 108 -1.476 15.403 -8.481 1.00 0.00 H new ATOM 0 H5'' DA B 108 -2.157 15.353 -10.095 1.00 0.00 H new ATOM 0 H4' DA B 108 0.069 14.605 -10.258 1.00 0.00 H new ATOM 0 H3' DA B 108 -2.073 12.891 -11.022 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.712 11.070 -9.643 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.318 10.769 -10.660 1.00 0.00 H new ATOM 0 H1' DA B 108 1.158 11.503 -9.056 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.329 11.639 -7.367 1.00 0.00 H new ATOM 0 H61 DA B 108 0.287 8.310 -2.904 1.00 0.00 H new ATOM 0 H62 DA B 108 -1.173 9.152 -3.433 1.00 0.00 H new ATOM 0 H2 DA B 108 3.382 9.022 -6.077 1.00 0.00 H new ATOM 256 P DT B 109 -0.452 11.841 -13.134 1.00 0.00 P ATOM 257 OP1 DT B 109 -0.198 12.558 -14.403 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.736 11.136 -12.927 1.00 0.00 O ATOM 259 O5' DT B 109 0.741 10.786 -12.903 1.00 0.00 O ATOM 260 C5' DT B 109 2.095 11.244 -12.920 1.00 0.00 C ATOM 261 C4' DT B 109 3.091 10.108 -12.684 1.00 0.00 C ATOM 262 O4' DT B 109 2.976 9.611 -11.329 1.00 0.00 O ATOM 263 C3' DT B 109 2.857 8.935 -13.646 1.00 0.00 C ATOM 264 O3' DT B 109 4.023 8.713 -14.436 1.00 0.00 O ATOM 265 C2' DT B 109 2.594 7.732 -12.767 1.00 0.00 C ATOM 266 C1' DT B 109 2.840 8.175 -11.328 1.00 0.00 C ATOM 267 N1 DT B 109 1.730 7.746 -10.435 1.00 0.00 N ATOM 268 C2 DT B 109 2.026 6.909 -9.367 1.00 0.00 C ATOM 269 O2 DT B 109 3.164 6.493 -9.160 1.00 0.00 O ATOM 270 N3 DT B 109 0.968 6.571 -8.548 1.00 0.00 N ATOM 271 C4 DT B 109 -0.341 6.990 -8.695 1.00 0.00 C ATOM 272 O4 DT B 109 -1.208 6.623 -7.909 1.00 0.00 O ATOM 273 C5 DT B 109 -0.560 7.858 -9.826 1.00 0.00 C ATOM 274 C7 DT B 109 -1.968 8.415 -10.065 1.00 0.00 C ATOM 275 C6 DT B 109 0.463 8.198 -10.648 1.00 0.00 C ATOM 0 H5' DT B 109 2.228 12.007 -12.153 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.305 11.716 -13.880 1.00 0.00 H new ATOM 0 H4' DT B 109 4.086 10.519 -12.858 1.00 0.00 H new ATOM 0 H3' DT B 109 2.028 9.129 -14.326 1.00 0.00 H new ATOM 0 H2' DT B 109 1.571 7.378 -12.893 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.253 6.906 -13.035 1.00 0.00 H new ATOM 0 H1' DT B 109 3.748 7.710 -10.944 1.00 0.00 H new ATOM 0 H3 DT B 109 1.171 5.955 -7.761 1.00 0.00 H new ATOM 0 H71 DT B 109 -1.897 9.389 -10.550 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.526 7.731 -10.705 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.484 8.522 -9.111 1.00 0.00 H new ATOM 0 H6 DT B 109 0.269 8.843 -11.492 1.00 0.00 H new ATOM 288 P DA B 110 4.007 7.703 -15.691 1.00 0.00 P ATOM 289 OP1 DA B 110 5.100 8.089 -16.612 1.00 0.00 O ATOM 290 OP2 DA B 110 2.618 7.607 -16.190 1.00 0.00 O ATOM 291 O5' DA B 110 4.394 6.304 -15.002 1.00 0.00 O ATOM 292 C5' DA B 110 5.640 6.175 -14.325 1.00 0.00 C ATOM 293 C4' DA B 110 5.824 4.787 -13.714 1.00 0.00 C ATOM 294 O4' DA B 110 4.894 4.611 -12.607 1.00 0.00 O ATOM 295 C3' DA B 110 5.553 3.663 -14.714 1.00 0.00 C ATOM 296 O3' DA B 110 6.621 2.717 -14.650 1.00 0.00 O ATOM 297 C2' DA B 110 4.265 3.016 -14.281 1.00 0.00 C ATOM 298 C1' DA B 110 3.963 3.530 -12.884 1.00 0.00 C ATOM 299 N9 DA B 110 2.553 3.980 -12.773 1.00 0.00 N ATOM 300 C8 DA B 110 1.842 4.805 -13.600 1.00 0.00 C ATOM 301 N7 DA B 110 0.607 5.004 -13.253 1.00 0.00 N ATOM 302 C5 DA B 110 0.478 4.248 -12.092 1.00 0.00 C ATOM 303 C6 DA B 110 -0.597 4.031 -11.224 1.00 0.00 C ATOM 304 N6 DA B 110 -1.795 4.582 -11.404 1.00 0.00 N ATOM 305 N1 DA B 110 -0.390 3.228 -10.167 1.00 0.00 N ATOM 306 C2 DA B 110 0.806 2.671 -9.974 1.00 0.00 C ATOM 307 N3 DA B 110 1.892 2.810 -10.735 1.00 0.00 N ATOM 308 C4 DA B 110 1.654 3.621 -11.788 1.00 0.00 C ATOM 0 H5' DA B 110 5.704 6.927 -13.539 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.453 6.373 -15.023 1.00 0.00 H new ATOM 0 H4' DA B 110 6.862 4.729 -13.388 1.00 0.00 H new ATOM 0 H3' DA B 110 5.481 4.033 -15.737 1.00 0.00 H new ATOM 0 H2' DA B 110 3.457 3.266 -14.968 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.359 1.930 -14.281 1.00 0.00 H new ATOM 0 H1' DA B 110 4.087 2.734 -12.149 1.00 0.00 H new ATOM 0 H8 DA B 110 2.277 5.258 -14.479 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.548 4.393 -10.742 1.00 0.00 H new ATOM 0 H62 DA B 110 -1.960 5.193 -12.204 1.00 0.00 H new ATOM 0 H2 DA B 110 0.906 2.037 -9.105 1.00 0.00 H new ATOM 320 P DA B 111 6.651 1.403 -15.576 1.00 0.00 P ATOM 321 OP1 DA B 111 8.060 1.094 -15.909 1.00 0.00 O ATOM 322 OP2 DA B 111 5.651 1.568 -16.654 1.00 0.00 O ATOM 323 O5' DA B 111 6.113 0.286 -14.548 1.00 0.00 O ATOM 324 C5' DA B 111 6.843 0.038 -13.341 1.00 0.00 C ATOM 325 C4' DA B 111 6.088 -0.882 -12.374 1.00 0.00 C ATOM 326 O4' DA B 111 4.833 -0.281 -11.972 1.00 0.00 O ATOM 327 C3' DA B 111 5.782 -2.253 -12.994 1.00 0.00 C ATOM 328 O3' DA B 111 6.374 -3.287 -12.209 1.00 0.00 O ATOM 329 C2' DA B 111 4.278 -2.388 -12.968 1.00 0.00 C ATOM 330 C1' DA B 111 3.746 -1.213 -12.160 1.00 0.00 C ATOM 331 N9 DA B 111 2.616 -0.579 -12.859 1.00 0.00 N ATOM 332 C8 DA B 111 2.586 -0.018 -14.098 1.00 0.00 C ATOM 333 N7 DA B 111 1.437 0.463 -14.460 1.00 0.00 N ATOM 334 C5 DA B 111 0.626 0.195 -13.360 1.00 0.00 C ATOM 335 C6 DA B 111 -0.723 0.447 -13.097 1.00 0.00 C ATOM 336 N6 DA B 111 -1.531 1.055 -13.963 1.00 0.00 N ATOM 337 N1 DA B 111 -1.207 0.046 -11.909 1.00 0.00 N ATOM 338 C2 DA B 111 -0.411 -0.566 -11.032 1.00 0.00 C ATOM 339 N3 DA B 111 0.878 -0.852 -11.182 1.00 0.00 N ATOM 340 C4 DA B 111 1.335 -0.438 -12.380 1.00 0.00 C ATOM 0 H5' DA B 111 7.052 0.986 -12.846 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.805 -0.412 -13.588 1.00 0.00 H new ATOM 0 H4' DA B 111 6.741 -1.021 -11.512 1.00 0.00 H new ATOM 0 H3' DA B 111 6.180 -2.335 -14.006 1.00 0.00 H new ATOM 0 H2' DA B 111 3.871 -2.378 -13.979 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.982 -3.334 -12.515 1.00 0.00 H new ATOM 0 H1' DA B 111 3.376 -1.549 -11.192 1.00 0.00 H new ATOM 0 H8 DA B 111 3.457 0.024 -14.735 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.509 1.215 -13.722 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.172 1.361 -14.867 1.00 0.00 H new ATOM 0 H2 DA B 111 -0.863 -0.862 -10.097 1.00 0.00 H new ATOM 352 P DA B 112 6.263 -4.837 -12.636 1.00 0.00 P ATOM 353 OP1 DA B 112 7.354 -5.580 -11.966 1.00 0.00 O ATOM 354 OP2 DA B 112 6.121 -4.902 -14.108 1.00 0.00 O ATOM 355 O5' DA B 112 4.864 -5.282 -11.968 1.00 0.00 O ATOM 356 C5' DA B 112 4.692 -5.189 -10.553 1.00 0.00 C ATOM 357 C4' DA B 112 3.290 -5.616 -10.094 1.00 0.00 C ATOM 358 O4' DA B 112 2.317 -4.645 -10.565 1.00 0.00 O ATOM 359 C3' DA B 112 2.865 -6.984 -10.646 1.00 0.00 C ATOM 360 O3' DA B 112 2.315 -7.789 -9.587 1.00 0.00 O ATOM 361 C2' DA B 112 1.810 -6.698 -11.677 1.00 0.00 C ATOM 362 C1' DA B 112 1.327 -5.282 -11.409 1.00 0.00 C ATOM 363 N9 DA B 112 1.117 -4.537 -12.673 1.00 0.00 N ATOM 364 C8 DA B 112 1.936 -4.413 -13.762 1.00 0.00 C ATOM 365 N7 DA B 112 1.453 -3.705 -14.737 1.00 0.00 N ATOM 366 C5 DA B 112 0.203 -3.324 -14.261 1.00 0.00 C ATOM 367 C6 DA B 112 -0.824 -2.555 -14.815 1.00 0.00 C ATOM 368 N6 DA B 112 -0.743 -1.999 -16.024 1.00 0.00 N ATOM 369 N1 DA B 112 -1.929 -2.375 -14.074 1.00 0.00 N ATOM 370 C2 DA B 112 -2.019 -2.919 -12.859 1.00 0.00 C ATOM 371 N3 DA B 112 -1.108 -3.661 -12.243 1.00 0.00 N ATOM 372 C4 DA B 112 -0.011 -3.825 -13.008 1.00 0.00 C ATOM 0 H5' DA B 112 4.876 -4.162 -10.236 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.437 -5.813 -10.059 1.00 0.00 H new ATOM 0 H4' DA B 112 3.327 -5.677 -9.006 1.00 0.00 H new ATOM 0 H3' DA B 112 3.707 -7.529 -11.073 1.00 0.00 H new ATOM 0 H2' DA B 112 2.216 -6.786 -12.685 1.00 0.00 H new ATOM 0 H2'' DA B 112 0.988 -7.410 -11.601 1.00 0.00 H new ATOM 0 H1' DA B 112 0.360 -5.294 -10.907 1.00 0.00 H new ATOM 0 H8 DA B 112 2.913 -4.871 -13.807 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.521 -1.446 -16.384 1.00 0.00 H new ATOM 0 H62 DA B 112 0.097 -2.127 -16.589 1.00 0.00 H new ATOM 0 H2 DA B 112 -2.935 -2.735 -12.317 1.00 0.00 H new ATOM 384 P DC B 113 1.776 -9.288 -9.856 1.00 0.00 P ATOM 385 OP1 DC B 113 2.063 -10.102 -8.654 1.00 0.00 O ATOM 386 OP2 DC B 113 2.274 -9.729 -11.178 1.00 0.00 O ATOM 387 O5' DC B 113 0.170 -9.095 -9.960 1.00 0.00 O ATOM 388 C5' DC B 113 -0.561 -8.564 -8.844 1.00 0.00 C ATOM 389 C4' DC B 113 -2.075 -8.445 -9.109 1.00 0.00 C ATOM 390 O4' DC B 113 -2.352 -7.384 -10.054 1.00 0.00 O ATOM 391 C3' DC B 113 -2.680 -9.742 -9.666 1.00 0.00 C ATOM 392 O3' DC B 113 -3.761 -10.190 -8.841 1.00 0.00 O ATOM 393 C2' DC B 113 -3.217 -9.386 -11.031 1.00 0.00 C ATOM 394 C1' DC B 113 -3.164 -7.874 -11.147 1.00 0.00 C ATOM 395 N1 DC B 113 -2.599 -7.434 -12.447 1.00 0.00 N ATOM 396 C2 DC B 113 -3.369 -6.608 -13.262 1.00 0.00 C ATOM 397 O2 DC B 113 -4.530 -6.350 -12.954 1.00 0.00 O ATOM 398 N3 DC B 113 -2.805 -6.108 -14.393 1.00 0.00 N ATOM 399 C4 DC B 113 -1.540 -6.400 -14.717 1.00 0.00 C ATOM 400 N4 DC B 113 -1.016 -5.870 -15.822 1.00 0.00 N ATOM 401 C5 DC B 113 -0.746 -7.256 -13.885 1.00 0.00 C ATOM 402 C6 DC B 113 -1.324 -7.751 -12.772 1.00 0.00 C ATOM 0 H5' DC B 113 -0.164 -7.580 -8.594 1.00 0.00 H new ATOM 0 H5'' DC B 113 -0.400 -9.203 -7.976 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.530 -8.229 -8.142 1.00 0.00 H new ATOM 0 H3' DC B 113 -1.936 -10.538 -9.702 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.621 -9.854 -11.814 1.00 0.00 H new ATOM 0 H2'' DC B 113 -4.239 -9.746 -11.150 1.00 0.00 H new ATOM 0 H1' DC B 113 -4.176 -7.471 -11.098 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.053 -6.083 -16.083 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.578 -5.252 -16.407 1.00 0.00 H new ATOM 0 H5 DC B 113 0.276 -7.495 -14.140 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.760 -8.411 -12.129 1.00 0.00 H new ATOM 414 P DA B 114 -4.571 -11.537 -9.206 1.00 0.00 P ATOM 415 OP1 DA B 114 -5.171 -12.066 -7.961 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.686 -12.400 -10.019 1.00 0.00 O ATOM 417 O5' DA B 114 -5.773 -11.015 -10.159 1.00 0.00 O ATOM 418 C5' DA B 114 -6.743 -10.077 -9.676 1.00 0.00 C ATOM 419 C4' DA B 114 -7.793 -9.719 -10.745 1.00 0.00 C ATOM 420 O4' DA B 114 -7.206 -8.911 -11.802 1.00 0.00 O ATOM 421 C3' DA B 114 -8.391 -10.977 -11.392 1.00 0.00 C ATOM 422 O3' DA B 114 -9.823 -10.923 -11.370 1.00 0.00 O ATOM 423 C2' DA B 114 -7.899 -10.958 -12.820 1.00 0.00 C ATOM 424 C1' DA B 114 -7.404 -9.548 -13.088 1.00 0.00 C ATOM 425 N9 DA B 114 -6.165 -9.543 -13.885 1.00 0.00 N ATOM 426 C8 DA B 114 -4.997 -10.170 -13.624 1.00 0.00 C ATOM 427 N7 DA B 114 -4.029 -9.922 -14.454 1.00 0.00 N ATOM 428 C5 DA B 114 -4.616 -9.048 -15.364 1.00 0.00 C ATOM 429 C6 DA B 114 -4.130 -8.402 -16.506 1.00 0.00 C ATOM 430 N6 DA B 114 -2.871 -8.518 -16.930 1.00 0.00 N ATOM 431 N1 DA B 114 -4.985 -7.613 -17.181 1.00 0.00 N ATOM 432 C2 DA B 114 -6.241 -7.465 -16.758 1.00 0.00 C ATOM 433 N3 DA B 114 -6.799 -8.025 -15.685 1.00 0.00 N ATOM 434 C4 DA B 114 -5.920 -8.812 -15.030 1.00 0.00 C ATOM 0 H5' DA B 114 -6.236 -9.169 -9.350 1.00 0.00 H new ATOM 0 H5'' DA B 114 -7.245 -10.494 -8.803 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.577 -9.160 -10.233 1.00 0.00 H new ATOM 0 H3' DA B 114 -8.095 -11.882 -10.862 1.00 0.00 H new ATOM 0 H2' DA B 114 -7.099 -11.684 -12.964 1.00 0.00 H new ATOM 0 H2'' DA B 114 -8.700 -11.225 -13.510 1.00 0.00 H new ATOM 0 H1' DA B 114 -8.139 -9.000 -13.678 1.00 0.00 H new ATOM 0 H8 DA B 114 -4.876 -10.834 -12.781 1.00 0.00 H new ATOM 0 H61 DA B 114 -2.568 -8.025 -17.770 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.211 -9.100 -16.414 1.00 0.00 H new ATOM 0 H2 DA B 114 -6.875 -6.821 -17.349 1.00 0.00 H new ATOM 446 P DT B 115 -10.706 -12.125 -11.989 1.00 0.00 P ATOM 447 OP1 DT B 115 -11.990 -12.179 -11.255 1.00 0.00 O ATOM 448 OP2 DT B 115 -9.850 -13.331 -12.067 1.00 0.00 O ATOM 449 O5' DT B 115 -11.007 -11.629 -13.495 1.00 0.00 O ATOM 450 C5' DT B 115 -11.716 -10.407 -13.725 1.00 0.00 C ATOM 451 C4' DT B 115 -11.789 -10.047 -15.216 1.00 0.00 C ATOM 452 O4' DT B 115 -10.489 -9.645 -15.707 1.00 0.00 O ATOM 453 C3' DT B 115 -12.278 -11.226 -16.070 1.00 0.00 C ATOM 454 O3' DT B 115 -13.565 -10.944 -16.627 1.00 0.00 O ATOM 455 C2' DT B 115 -11.253 -11.367 -17.183 1.00 0.00 C ATOM 456 C1' DT B 115 -10.242 -10.233 -17.000 1.00 0.00 C ATOM 457 N1 DT B 115 -8.839 -10.728 -17.108 1.00 0.00 N ATOM 458 C2 DT B 115 -8.021 -10.193 -18.095 1.00 0.00 C ATOM 459 O2 DT B 115 -8.416 -9.327 -18.871 1.00 0.00 O ATOM 460 N3 DT B 115 -6.732 -10.691 -18.154 1.00 0.00 N ATOM 461 C4 DT B 115 -6.193 -11.660 -17.329 1.00 0.00 C ATOM 462 O4 DT B 115 -5.030 -12.030 -17.473 1.00 0.00 O ATOM 463 C5 DT B 115 -7.112 -12.161 -16.332 1.00 0.00 C ATOM 464 C7 DT B 115 -6.639 -13.255 -15.368 1.00 0.00 C ATOM 465 C6 DT B 115 -8.377 -11.686 -16.255 1.00 0.00 C ATOM 0 H5' DT B 115 -11.227 -9.598 -13.182 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.726 -10.495 -13.325 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.501 -9.226 -15.302 1.00 0.00 H new ATOM 0 H3' DT B 115 -12.375 -12.137 -15.479 1.00 0.00 H new ATOM 0 H2' DT B 115 -10.759 -12.337 -17.133 1.00 0.00 H new ATOM 0 H2'' DT B 115 -11.732 -11.304 -18.160 1.00 0.00 H new ATOM 0 H1' DT B 115 -10.363 -9.490 -17.788 1.00 0.00 H new ATOM 0 H3 DT B 115 -6.121 -10.307 -18.875 1.00 0.00 H new ATOM 0 H71 DT B 115 -5.889 -13.874 -15.860 1.00 0.00 H new ATOM 0 H72 DT B 115 -6.205 -12.795 -14.480 1.00 0.00 H new ATOM 0 H73 DT B 115 -7.487 -13.875 -15.077 1.00 0.00 H new ATOM 0 H6 DT B 115 -9.039 -12.077 -15.497 1.00 0.00 H new ATOM 478 P DT B 116 -14.418 -12.096 -17.366 1.00 0.00 P ATOM 479 OP1 DT B 116 -15.839 -11.681 -17.378 1.00 0.00 O ATOM 480 OP2 DT B 116 -14.036 -13.400 -16.781 1.00 0.00 O ATOM 481 O5' DT B 116 -13.875 -12.047 -18.877 1.00 0.00 O ATOM 482 C5' DT B 116 -13.995 -10.858 -19.654 1.00 0.00 C ATOM 483 C4' DT B 116 -13.205 -10.970 -20.956 1.00 0.00 C ATOM 484 O4' DT B 116 -11.785 -10.995 -20.680 1.00 0.00 O ATOM 485 C3' DT B 116 -13.556 -12.250 -21.728 1.00 0.00 C ATOM 486 O3' DT B 116 -14.288 -11.942 -22.917 1.00 0.00 O ATOM 487 C2' DT B 116 -12.233 -12.897 -22.073 1.00 0.00 C ATOM 488 C1' DT B 116 -11.140 -12.031 -21.451 1.00 0.00 C ATOM 489 N1 DT B 116 -10.236 -12.855 -20.602 1.00 0.00 N ATOM 490 C2 DT B 116 -8.894 -12.916 -20.944 1.00 0.00 C ATOM 491 O2 DT B 116 -8.439 -12.307 -21.909 1.00 0.00 O ATOM 492 N3 DT B 116 -8.096 -13.705 -20.143 1.00 0.00 N ATOM 493 C4 DT B 116 -8.504 -14.430 -19.042 1.00 0.00 C ATOM 494 O4 DT B 116 -7.692 -15.105 -18.408 1.00 0.00 O ATOM 495 C5 DT B 116 -9.918 -14.310 -18.750 1.00 0.00 C ATOM 496 C7 DT B 116 -10.502 -15.079 -17.558 1.00 0.00 C ATOM 497 C6 DT B 116 -10.723 -13.539 -19.524 1.00 0.00 C ATOM 0 H5' DT B 116 -13.634 -10.006 -19.078 1.00 0.00 H new ATOM 0 H5'' DT B 116 -15.045 -10.670 -19.877 1.00 0.00 H new ATOM 0 H4' DT B 116 -13.468 -10.102 -21.560 1.00 0.00 H new ATOM 0 H3' DT B 116 -14.186 -12.912 -21.134 1.00 0.00 H new ATOM 0 H2' DT B 116 -12.188 -13.914 -21.684 1.00 0.00 H new ATOM 0 H2'' DT B 116 -12.105 -12.963 -23.154 1.00 0.00 H new ATOM 0 HO3' DT B 116 -14.500 -12.771 -23.395 1.00 0.00 H new ATOM 0 H1' DT B 116 -10.521 -11.582 -22.228 1.00 0.00 H new ATOM 0 H3 DT B 116 -7.107 -13.758 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1.00 0.00 C ATOM 525 N6 DA C 117 -4.592 -14.648 -19.621 1.00 0.00 N ATOM 526 N1 DA C 117 -5.674 -13.357 -21.203 1.00 0.00 N ATOM 527 C2 DA C 117 -5.651 -12.608 -22.305 1.00 0.00 C ATOM 528 N3 DA C 117 -4.594 -12.312 -23.051 1.00 0.00 N ATOM 529 C4 DA C 117 -3.474 -12.877 -22.562 1.00 0.00 C ATOM 0 H5' DA C 117 0.162 -15.007 -25.458 1.00 0.00 H new ATOM 0 H5'' DA C 117 1.677 -14.127 -25.492 1.00 0.00 H new ATOM 0 H4' DA C 117 0.114 -12.847 -26.728 1.00 0.00 H new ATOM 0 H3' DA C 117 1.397 -11.709 -24.511 1.00 0.00 H new ATOM 0 H2' DA C 117 -0.311 -11.184 -23.047 1.00 0.00 H new ATOM 0 H2'' DA C 117 -0.915 -10.082 -24.268 1.00 0.00 H new ATOM 0 HO5' DA C 117 -0.165 -14.435 -23.330 1.00 0.00 H new ATOM 0 H1' DA C 117 -2.708 -11.450 -24.615 1.00 0.00 H new ATOM 0 H8 DA C 117 -0.360 -13.605 -22.426 1.00 0.00 H new ATOM 0 H61 DA C 117 -5.482 -14.792 -19.144 1.00 0.00 H new ATOM 0 H62 DA C 117 -3.741 -15.069 -19.249 1.00 0.00 H new ATOM 0 H2 DA C 117 -6.596 -12.197 -22.626 1.00 0.00 H new 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ATOM 560 C2 DA C 118 -5.729 -8.556 -20.856 1.00 0.00 C ATOM 561 N3 DA C 118 -5.177 -8.017 -21.945 1.00 0.00 N ATOM 562 C4 DA C 118 -3.844 -8.241 -21.985 1.00 0.00 C ATOM 0 H5' DA C 118 -1.370 -9.143 -26.968 1.00 0.00 H new ATOM 0 H5'' DA C 118 -0.518 -7.718 -27.530 1.00 0.00 H new ATOM 0 H4' DA C 118 -2.805 -7.148 -27.306 1.00 0.00 H new ATOM 0 H3' DA C 118 -0.827 -5.739 -25.832 1.00 0.00 H new ATOM 0 H2' DA C 118 -1.599 -5.884 -23.666 1.00 0.00 H new ATOM 0 H2'' DA C 118 -2.993 -4.964 -24.197 1.00 0.00 H new ATOM 0 H1' DA C 118 -4.346 -6.811 -24.118 1.00 0.00 H new ATOM 0 H8 DA C 118 -0.853 -8.103 -23.128 1.00 0.00 H new ATOM 0 H61 DA C 118 -3.727 -10.510 -18.217 1.00 0.00 H new ATOM 0 H62 DA C 118 -2.177 -10.323 -19.045 1.00 0.00 H new ATOM 0 H2 DA C 118 -6.795 -8.424 -20.740 1.00 0.00 H new ATOM 574 P DT C 119 -2.334 -3.315 -26.202 1.00 0.00 P ATOM 575 OP1 DT C 119 -2.551 -2.521 -27.433 1.00 0.00 O ATOM 576 OP2 DT C 119 -1.071 -3.175 -25.444 1.00 0.00 O ATOM 577 O5' DT C 119 -3.565 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ATOM 0 H3' DG C 120 -9.347 1.103 -20.071 1.00 0.00 H new ATOM 0 H2' DG C 120 -7.627 0.522 -18.601 1.00 0.00 H new ATOM 0 H2'' DG C 120 -8.895 0.141 -17.453 1.00 0.00 H new ATOM 0 H1' DG C 120 -8.640 -2.132 -17.750 1.00 0.00 H new ATOM 0 H8 DG C 120 -5.847 -0.425 -19.800 1.00 0.00 H new ATOM 0 H1 DG C 120 -3.969 -4.889 -15.606 1.00 0.00 H new ATOM 0 H21 DG C 120 -7.367 -5.289 -14.991 1.00 0.00 H new ATOM 0 H22 DG C 120 -5.712 -5.778 -14.615 1.00 0.00 H new ATOM 639 P DT C 121 -11.061 1.603 -17.867 1.00 0.00 P ATOM 640 OP1 DT C 121 -12.511 1.893 -17.823 1.00 0.00 O ATOM 641 OP2 DT C 121 -10.103 2.676 -18.216 1.00 0.00 O ATOM 642 O5' DT C 121 -10.628 0.984 -16.446 1.00 0.00 O ATOM 643 C5' DT C 121 -11.306 -0.154 -15.916 1.00 0.00 C ATOM 644 C4' DT C 121 -10.602 -0.716 -14.678 1.00 0.00 C ATOM 645 O4' DT C 121 -9.348 -1.348 -15.027 1.00 0.00 O ATOM 646 C3' DT C 121 -10.302 0.385 -13.650 1.00 0.00 C ATOM 647 O3' DT C 121 -11.128 0.235 -12.494 1.00 0.00 O ATOM 648 C2' DT C 121 -8.841 0.196 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122 -4.042 -1.307 -9.899 1.00 0.00 O ATOM 685 N3 DT C 122 -3.977 0.335 -11.482 1.00 0.00 N ATOM 686 C4 DT C 122 -4.529 1.373 -12.210 1.00 0.00 C ATOM 687 O4 DT C 122 -3.876 1.950 -13.074 1.00 0.00 O ATOM 688 C5 DT C 122 -5.895 1.681 -11.859 1.00 0.00 C ATOM 689 C7 DT C 122 -6.604 2.824 -12.596 1.00 0.00 C ATOM 690 C6 DT C 122 -6.541 0.983 -10.893 1.00 0.00 C ATOM 0 H5' DT C 122 -10.288 -1.420 -10.584 1.00 0.00 H new ATOM 0 H5'' DT C 122 -11.064 -0.708 -9.183 1.00 0.00 H new ATOM 0 H4' DT C 122 -9.317 -2.080 -8.372 1.00 0.00 H new ATOM 0 H3' DT C 122 -9.181 0.789 -7.962 1.00 0.00 H new ATOM 0 H2' DT C 122 -6.923 1.160 -8.297 1.00 0.00 H new ATOM 0 H2'' DT C 122 -6.565 -0.087 -7.118 1.00 0.00 H new ATOM 0 H1' DT C 122 -5.954 -1.553 -8.771 1.00 0.00 H new ATOM 0 H3 DT C 122 -3.011 0.084 -11.694 1.00 0.00 H new ATOM 0 H71 DT C 122 -7.673 2.617 -12.646 1.00 0.00 H new ATOM 0 H72 DT C 122 -6.440 3.759 -12.061 1.00 0.00 H new ATOM 0 H73 DT C 122 -6.204 2.909 -13.606 1.00 0.00 H new ATOM 0 H6 DT C 122 -7.562 1.237 -10.651 1.00 0.00 H new ATOM 703 P DT C 123 -8.665 0.346 -5.236 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.506 -0.187 -4.141 1.00 0.00 O ATOM 705 OP2 DT C 123 -8.829 1.747 -5.677 1.00 0.00 O ATOM 706 O5' DT C 123 -7.126 0.140 -4.837 1.00 0.00 O ATOM 707 C5' DT C 123 -6.636 -1.150 -4.490 1.00 0.00 C ATOM 708 C4' DT C 123 -5.153 -1.102 -4.151 1.00 0.00 C ATOM 709 O4' DT C 123 -4.386 -0.754 -5.340 1.00 0.00 O ATOM 710 C3' DT C 123 -4.842 -0.039 -3.091 1.00 0.00 C ATOM 711 O3' DT C 123 -3.954 -0.612 -2.121 1.00 0.00 O ATOM 712 C2' DT C 123 -4.185 1.085 -3.829 1.00 0.00 C ATOM 713 C1' DT C 123 -3.632 0.462 -5.103 1.00 0.00 C ATOM 714 N1 DT C 123 -3.676 1.398 -6.282 1.00 0.00 N ATOM 715 C2 DT C 123 -2.490 1.597 -6.987 1.00 0.00 C ATOM 716 O2 DT C 123 -1.451 1.011 -6.690 1.00 0.00 O ATOM 717 N3 DT C 123 -2.543 2.483 -8.048 1.00 0.00 N ATOM 718 C4 DT C 123 -3.656 3.182 -8.472 1.00 0.00 C ATOM 719 O4 DT C 123 -3.584 3.957 -9.424 1.00 0.00 O ATOM 720 C5 DT C 123 -4.850 2.920 -7.699 1.00 0.00 C ATOM 721 C7 DT C 123 -6.146 3.647 -8.077 1.00 0.00 C ATOM 722 C6 DT C 123 -4.832 2.054 -6.652 1.00 0.00 C ATOM 0 H5' DT C 123 -6.800 -1.839 -5.318 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.194 -1.537 -3.638 1.00 0.00 H new ATOM 0 H4' DT C 123 -4.885 -2.088 -3.771 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.728 0.315 -2.564 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.899 1.876 -4.056 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.390 1.534 -3.234 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.573 0.239 -4.976 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.678 2.634 -8.566 1.00 0.00 H new ATOM 0 H71 DT C 123 -5.906 4.618 -8.510 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.698 3.052 -8.804 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.757 3.789 -7.186 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.742 1.875 -6.098 1.00 0.00 H new ATOM 735 P DA C 124 -3.396 0.199 -0.845 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.604 -0.634 0.361 1.00 0.00 O ATOM 737 OP2 DA C 124 -3.941 1.575 -0.895 1.00 0.00 O ATOM 738 O5' DA C 124 -1.807 0.271 -1.145 1.00 0.00 O ATOM 739 C5' DA C 124 -1.083 -0.962 -1.272 1.00 0.00 C ATOM 740 C4' DA C 124 0.423 -0.783 -1.557 1.00 0.00 C ATOM 741 O4' DA C 124 0.609 -0.109 -2.827 1.00 0.00 O ATOM 742 C3' DA C 124 1.106 0.071 -0.486 1.00 0.00 C ATOM 743 O3' DA C 124 2.401 -0.447 -0.153 1.00 0.00 O ATOM 744 C2' DA C 124 1.258 1.432 -1.111 1.00 0.00 C ATOM 745 C1' DA C 124 1.083 1.241 -2.611 1.00 0.00 C ATOM 746 N9 DA C 124 0.137 2.215 -3.158 1.00 0.00 N ATOM 747 C8 DA C 124 -1.128 2.448 -2.762 1.00 0.00 C ATOM 748 N7 DA C 124 -1.793 3.300 -3.480 1.00 0.00 N ATOM 749 C5 DA C 124 -0.869 3.672 -4.451 1.00 0.00 C ATOM 750 C6 DA C 124 -0.939 4.553 -5.531 1.00 0.00 C ATOM 751 N6 DA C 124 -2.049 5.219 -5.851 1.00 0.00 N ATOM 752 N1 DA C 124 0.166 4.693 -6.286 1.00 0.00 N ATOM 753 C2 DA C 124 1.270 3.999 -5.995 1.00 0.00 C ATOM 754 N3 DA C 124 1.436 3.134 -4.999 1.00 0.00 N ATOM 755 C4 DA C 124 0.315 3.020 -4.260 1.00 0.00 C ATOM 0 H5' DA C 124 -1.526 -1.550 -2.076 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.202 -1.537 -0.354 1.00 0.00 H new ATOM 0 H4' DA C 124 0.864 -1.780 -1.566 1.00 0.00 H new ATOM 0 H3' DA C 124 0.524 0.087 0.435 1.00 0.00 H new ATOM 0 H2' DA C 124 0.513 2.124 -0.719 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.237 1.855 -0.885 1.00 0.00 H new ATOM 0 H1' DA C 124 2.033 1.398 -3.122 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.561 1.958 -1.903 1.00 0.00 H new ATOM 0 H61 DA C 124 -2.051 5.853 -6.650 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.896 5.095 -5.296 1.00 0.00 H new ATOM 0 H2 DA C 124 2.122 4.158 -6.640 1.00 0.00 H new ATOM 767 P DT C 125 3.315 0.292 0.958 1.00 0.00 P ATOM 768 OP1 DT C 125 4.253 -0.705 1.520 1.00 0.00 O ATOM 769 OP2 DT C 125 2.419 1.051 1.861 1.00 0.00 O ATOM 770 O5' DT C 125 4.167 1.352 0.084 1.00 0.00 O ATOM 771 C5' DT C 125 5.150 0.875 -0.837 1.00 0.00 C ATOM 772 C4' DT C 125 5.833 1.992 -1.645 1.00 0.00 C ATOM 773 O4' DT C 125 4.897 2.561 -2.602 1.00 0.00 O ATOM 774 C3' DT C 125 6.360 3.149 -0.783 1.00 0.00 C ATOM 775 O3' DT C 125 7.749 3.374 -1.077 1.00 0.00 O ATOM 776 C2' DT C 125 5.556 4.355 -1.193 1.00 0.00 C ATOM 777 C1' DT C 125 4.967 4.005 -2.554 1.00 0.00 C ATOM 778 N1 DT C 125 3.637 4.650 -2.815 1.00 0.00 N ATOM 779 C2 DT C 125 3.481 5.334 -4.018 1.00 0.00 C ATOM 780 O2 DT C 125 4.391 5.417 -4.841 1.00 0.00 O ATOM 781 N3 DT C 125 2.250 5.919 -4.237 1.00 0.00 N ATOM 782 C4 DT C 125 1.169 5.887 -3.378 1.00 0.00 C ATOM 783 O4 DT C 125 0.095 6.387 -3.701 1.00 0.00 O ATOM 784 C5 DT C 125 1.415 5.174 -2.152 1.00 0.00 C ATOM 785 C7 DT C 125 0.324 5.153 -1.083 1.00 0.00 C ATOM 786 C6 DT C 125 2.607 4.583 -1.911 1.00 0.00 C ATOM 0 H5' DT C 125 4.679 0.175 -1.527 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.910 0.319 -0.288 1.00 0.00 H new ATOM 0 H4' DT C 125 6.682 1.515 -2.134 1.00 0.00 H new ATOM 0 H3' DT C 125 6.268 2.940 0.283 1.00 0.00 H new ATOM 0 H2' DT C 125 4.770 4.568 -0.468 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.184 5.244 -1.253 1.00 0.00 H new ATOM 0 H1' DT C 125 5.602 4.397 -3.349 1.00 0.00 H new ATOM 0 H3 DT C 125 2.127 6.422 -5.116 1.00 0.00 H new ATOM 0 H71 DT C 125 0.390 4.226 -0.514 1.00 0.00 H new ATOM 0 H72 DT C 125 0.457 6.001 -0.411 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.654 5.217 -1.560 1.00 0.00 H new ATOM 0 H6 DT C 125 2.752 4.046 -0.985 1.00 0.00 H new ATOM 799 P DC C 126 8.597 4.528 -0.333 1.00 0.00 P ATOM 800 OP1 DC C 126 9.983 4.040 -0.161 1.00 0.00 O ATOM 801 OP2 DC C 126 7.825 4.980 0.846 1.00 0.00 O ATOM 802 O5' DC C 126 8.617 5.737 -1.415 1.00 0.00 O ATOM 803 C5' DC C 126 9.210 5.536 -2.709 1.00 0.00 C ATOM 804 C4' DC C 126 9.144 6.785 -3.610 1.00 0.00 C ATOM 805 O4' DC C 126 7.788 7.034 -4.061 1.00 0.00 O ATOM 806 C3' DC C 126 9.654 8.042 -2.892 1.00 0.00 C ATOM 807 O3' DC C 126 10.840 8.537 -3.516 1.00 0.00 O ATOM 808 C2' DC C 126 8.546 9.067 -3.027 1.00 0.00 C ATOM 809 C1' DC C 126 7.399 8.397 -3.777 1.00 0.00 C ATOM 810 N1 DC C 126 6.162 8.418 -2.957 1.00 0.00 N ATOM 811 C2 DC C 126 5.029 9.066 -3.452 1.00 0.00 C ATOM 812 O2 DC C 126 5.068 9.655 -4.533 1.00 0.00 O ATOM 813 N3 DC C 126 3.898 9.044 -2.699 1.00 0.00 N ATOM 814 C4 DC C 126 3.870 8.418 -1.516 1.00 0.00 C ATOM 815 N4 DC C 126 2.751 8.432 -0.802 1.00 0.00 N ATOM 816 C5 DC C 126 5.026 7.752 -1.008 1.00 0.00 C ATOM 817 C6 DC C 126 6.141 7.780 -1.757 1.00 0.00 C ATOM 0 H5' DC C 126 8.705 4.709 -3.208 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.252 5.243 -2.582 1.00 0.00 H new ATOM 0 H4' DC C 126 9.789 6.577 -4.464 1.00 0.00 H new ATOM 0 H3' DC C 126 9.898 7.828 -1.851 1.00 0.00 H new ATOM 0 H2' DC C 126 8.216 9.408 -2.046 1.00 0.00 H new ATOM 0 H2'' DC C 126 8.898 9.945 -3.568 1.00 0.00 H new ATOM 0 H1' DC C 126 7.194 8.932 -4.704 1.00 0.00 H new ATOM 0 H41 DC C 126 2.716 7.959 0.101 1.00 0.00 H new ATOM 0 H42 DC C 126 1.926 8.916 -1.156 1.00 0.00 H new ATOM 0 H5 DC C 126 5.005 7.244 -0.055 1.00 0.00 H new ATOM 0 H6 DC C 126 7.034 7.288 -1.400 1.00 0.00 H new ATOM 829 P DT C 127 11.708 9.699 -2.818 1.00 0.00 P ATOM 830 OP1 DT C 127 13.072 9.667 -3.393 1.00 0.00 O ATOM 831 OP2 DT C 127 11.523 9.604 -1.352 1.00 0.00 O ATOM 832 O5' DT C 127 10.979 11.036 -3.331 1.00 0.00 O ATOM 833 C5' DT C 127 10.948 11.354 -4.721 1.00 0.00 C ATOM 834 C4' DT C 127 10.178 12.649 -4.979 1.00 0.00 C ATOM 835 O4' DT C 127 8.762 12.445 -4.737 1.00 0.00 O ATOM 836 C3' DT C 127 10.650 13.795 -4.069 1.00 0.00 C ATOM 837 O3' DT C 127 11.138 14.887 -4.850 1.00 0.00 O ATOM 838 C2' DT C 127 9.432 14.222 -3.285 1.00 0.00 C ATOM 839 C1' DT C 127 8.242 13.507 -3.911 1.00 0.00 C ATOM 840 N1 DT C 127 7.305 12.989 -2.866 1.00 0.00 N ATOM 841 C2 DT C 127 5.997 13.459 -2.878 1.00 0.00 C ATOM 842 O2 DT C 127 5.602 14.264 -3.718 1.00 0.00 O ATOM 843 N3 DT C 127 5.163 12.974 -1.890 1.00 0.00 N ATOM 844 C4 DT C 127 5.509 12.072 -0.903 1.00 0.00 C ATOM 845 O4 DT C 127 4.683 11.704 -0.075 1.00 0.00 O ATOM 846 C5 DT C 127 6.882 11.629 -0.958 1.00 0.00 C ATOM 847 C7 DT C 127 7.377 10.636 0.099 1.00 0.00 C ATOM 848 C6 DT C 127 7.724 12.087 -1.918 1.00 0.00 C ATOM 0 H5' DT C 127 10.484 10.537 -5.273 1.00 0.00 H new ATOM 0 H5'' DT C 127 11.967 11.454 -5.096 1.00 0.00 H new ATOM 0 H4' DT C 127 10.363 12.921 -6.018 1.00 0.00 H new ATOM 0 H3' DT C 127 11.463 13.477 -3.416 1.00 0.00 H new ATOM 0 H2' DT C 127 9.535 13.956 -2.233 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.302 15.303 -3.329 1.00 0.00 H new ATOM 0 H1' DT C 127 7.659 14.200 -4.518 1.00 0.00 H new ATOM 0 H3 DT C 127 4.201 13.314 -1.889 1.00 0.00 H new ATOM 0 H71 DT C 127 6.826 10.787 1.027 1.00 0.00 H new ATOM 0 H72 DT C 127 7.218 9.618 -0.256 1.00 0.00 H new ATOM 0 H73 DT C 127 8.440 10.796 0.279 1.00 0.00 H new ATOM 0 H6 DT C 127 8.745 11.735 -1.938 1.00 0.00 H new ATOM 861 P DG C 128 11.698 16.224 -4.145 1.00 0.00 P ATOM 862 OP1 DG C 128 12.633 16.887 -5.080 1.00 0.00 O ATOM 863 OP2 DG C 128 12.142 15.874 -2.776 1.00 0.00 O ATOM 864 O5' DG C 128 10.369 17.130 -4.029 1.00 0.00 O ATOM 865 C5' DG C 128 9.658 17.501 -5.213 1.00 0.00 C ATOM 866 C4' DG C 128 8.391 18.308 -4.906 1.00 0.00 C ATOM 867 O4' DG C 128 7.441 17.485 -4.191 1.00 0.00 O ATOM 868 C3' DG C 128 8.686 19.551 -4.055 1.00 0.00 C ATOM 869 O3' DG C 128 8.291 20.731 -4.759 1.00 0.00 O ATOM 870 C2' DG C 128 7.855 19.390 -2.799 1.00 0.00 C ATOM 871 C1' DG C 128 6.995 18.147 -2.991 1.00 0.00 C ATOM 872 N9 DG C 128 7.102 17.252 -1.827 1.00 0.00 N ATOM 873 C8 DG C 128 8.209 16.673 -1.304 1.00 0.00 C ATOM 874 N7 DG C 128 8.004 15.907 -0.274 1.00 0.00 N ATOM 875 C5 DG C 128 6.625 15.990 -0.091 1.00 0.00 C ATOM 876 C6 DG C 128 5.794 15.372 0.883 1.00 0.00 C ATOM 877 O6 DG C 128 6.120 14.609 1.790 1.00 0.00 O ATOM 878 N1 DG C 128 4.462 15.726 0.712 1.00 0.00 N ATOM 879 C2 DG C 128 3.985 16.569 -0.270 1.00 0.00 C ATOM 880 N2 DG C 128 2.673 16.800 -0.266 1.00 0.00 N ATOM 881 N3 DG C 128 4.762 17.149 -1.188 1.00 0.00 N ATOM 882 C4 DG C 128 6.064 16.816 -1.038 1.00 0.00 C ATOM 0 H5' DG C 128 9.388 16.602 -5.768 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.312 18.088 -5.857 1.00 0.00 H new ATOM 0 H4' DG C 128 7.983 18.631 -5.864 1.00 0.00 H new ATOM 0 H3' DG C 128 9.748 19.646 -3.828 1.00 0.00 H new ATOM 0 H2' DG C 128 8.496 19.284 -1.923 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.232 20.269 -2.634 1.00 0.00 H new ATOM 0 H1' DG C 128 5.945 18.426 -3.084 1.00 0.00 H new ATOM 0 H8 DG C 128 9.194 16.836 -1.715 1.00 0.00 H new ATOM 0 H1 DG C 128 3.783 15.332 1.364 1.00 0.00 H new ATOM 0 H21 DG C 128 2.261 17.415 -0.968 1.00 0.00 H new ATOM 0 H22 DG C 128 2.080 16.362 0.439 1.00 0.00 H new ATOM 894 P DC C 129 8.689 22.201 -4.230 1.00 0.00 P ATOM 895 OP1 DC C 129 8.692 23.120 -5.389 1.00 0.00 O ATOM 896 OP2 DC C 129 9.906 22.069 -3.397 1.00 0.00 O ATOM 897 O5' DC C 129 7.469 22.623 -3.263 1.00 0.00 O ATOM 898 C5' DC C 129 6.137 22.711 -3.770 1.00 0.00 C ATOM 899 C4' DC C 129 5.133 23.126 -2.685 1.00 0.00 C ATOM 900 O4' DC C 129 4.961 22.063 -1.711 1.00 0.00 O ATOM 901 C3' DC C 129 5.605 24.377 -1.930 1.00 0.00 C ATOM 902 O3' DC C 129 4.549 25.347 -1.902 1.00 0.00 O ATOM 903 C2' DC C 129 5.919 23.913 -0.531 1.00 0.00 C ATOM 904 C1' DC C 129 5.289 22.536 -0.381 1.00 0.00 C ATOM 905 N1 DC C 129 6.189 21.570 0.328 1.00 0.00 N ATOM 906 C2 DC C 129 5.692 20.929 1.468 1.00 0.00 C ATOM 907 O2 DC C 129 4.568 21.199 1.888 1.00 0.00 O ATOM 908 N3 DC C 129 6.478 20.015 2.096 1.00 0.00 N ATOM 909 C4 DC C 129 7.703 19.730 1.642 1.00 0.00 C ATOM 910 N4 DC C 129 8.442 18.829 2.291 1.00 0.00 N ATOM 911 C5 DC C 129 8.227 20.378 0.478 1.00 0.00 C ATOM 912 C6 DC C 129 7.445 21.286 -0.145 1.00 0.00 C ATOM 0 H5' DC C 129 5.843 21.747 -4.186 1.00 0.00 H new ATOM 0 H5'' DC C 129 6.107 23.433 -4.586 1.00 0.00 H new ATOM 0 H4' DC C 129 4.192 23.336 -3.194 1.00 0.00 H new ATOM 0 H3' DC C 129 6.471 24.840 -2.403 1.00 0.00 H new ATOM 0 H2' DC C 129 6.996 23.866 -0.370 1.00 0.00 H new ATOM 0 H2'' DC C 129 5.516 24.606 0.207 1.00 0.00 H new ATOM 0 H1' DC C 129 4.394 22.611 0.236 1.00 0.00 H new ATOM 0 H41 DC C 129 9.378 18.601 1.957 1.00 0.00 H new ATOM 0 H42 DC C 129 8.071 18.368 3.122 1.00 0.00 H new ATOM 0 H5 DC C 129 9.216 20.148 0.110 1.00 0.00 H new ATOM 0 H6 DC C 129 7.812 21.794 -1.025 1.00 0.00 H new ATOM 924 P DA C 130 4.724 26.782 -1.184 1.00 0.00 P ATOM 925 OP1 DA C 130 3.925 27.772 -1.939 1.00 0.00 O ATOM 926 OP2 DA C 130 6.171 27.015 -0.977 1.00 0.00 O ATOM 927 O5' DA C 130 4.037 26.592 0.268 1.00 0.00 O ATOM 928 C5' DA C 130 2.653 26.238 0.382 1.00 0.00 C ATOM 929 C4' DA C 130 2.203 26.108 1.848 1.00 0.00 C ATOM 930 O4' DA C 130 2.787 24.934 2.468 1.00 0.00 O ATOM 931 C3' DA C 130 2.616 27.335 2.676 1.00 0.00 C ATOM 932 O3' DA C 130 1.474 27.948 3.283 1.00 0.00 O ATOM 933 C2' DA C 130 3.529 26.811 3.755 1.00 0.00 C ATOM 934 C1' DA C 130 3.478 25.294 3.687 1.00 0.00 C ATOM 935 N9 DA C 130 4.830 24.718 3.720 1.00 0.00 N ATOM 936 C8 DA C 130 5.867 24.973 2.895 1.00 0.00 C ATOM 937 N7 DA C 130 6.960 24.323 3.154 1.00 0.00 N ATOM 938 C5 DA C 130 6.610 23.560 4.264 1.00 0.00 C ATOM 939 C6 DA C 130 7.321 22.642 5.042 1.00 0.00 C ATOM 940 N6 DA C 130 8.599 22.337 4.817 1.00 0.00 N ATOM 941 N1 DA C 130 6.671 22.066 6.069 1.00 0.00 N ATOM 942 C2 DA C 130 5.398 22.377 6.318 1.00 0.00 C ATOM 943 N3 DA C 130 4.634 23.234 5.643 1.00 0.00 N ATOM 944 C4 DA C 130 5.313 23.793 4.619 1.00 0.00 C ATOM 0 H5' DA C 130 2.478 25.294 -0.135 1.00 0.00 H new ATOM 0 H5'' DA C 130 2.045 26.992 -0.117 1.00 0.00 H new ATOM 0 H4' DA C 130 1.116 26.025 1.833 1.00 0.00 H new ATOM 0 H3' DA C 130 3.098 28.085 2.048 1.00 0.00 H new ATOM 0 H2' DA C 130 4.548 27.169 3.605 1.00 0.00 H new ATOM 0 H2'' DA C 130 3.208 27.163 4.735 1.00 0.00 H new ATOM 0 H1' DA C 130 2.948 24.895 4.552 1.00 0.00 H new ATOM 0 H8 DA C 130 5.792 25.671 2.074 1.00 0.00 H new ATOM 0 H61 DA C 130 9.074 21.660 5.414 1.00 0.00 H new ATOM 0 H62 DA C 130 9.101 22.781 4.048 1.00 0.00 H new ATOM 0 H2 DA C 130 4.937 21.880 7.158 1.00 0.00 H new ATOM 956 P DA C 131 1.640 29.269 4.195 1.00 0.00 P ATOM 957 OP1 DA C 131 0.352 29.999 4.186 1.00 0.00 O ATOM 958 OP2 DA C 131 2.879 29.964 3.779 1.00 0.00 O ATOM 959 O5' DA C 131 1.870 28.679 5.683 1.00 0.00 O ATOM 960 C5' DA C 131 0.827 27.967 6.356 1.00 0.00 C ATOM 961 C4' DA C 131 1.254 27.492 7.755 1.00 0.00 C ATOM 962 O4' DA C 131 2.229 26.423 7.666 1.00 0.00 O ATOM 963 C3' DA C 131 1.876 28.629 8.580 1.00 0.00 C ATOM 964 O3' DA C 131 1.123 28.864 9.775 1.00 0.00 O ATOM 965 C2' DA C 131 3.258 28.150 8.956 1.00 0.00 C ATOM 966 C1' DA C 131 3.369 26.704 8.512 1.00 0.00 C ATOM 967 N9 DA C 131 4.634 26.457 7.800 1.00 0.00 N ATOM 968 C8 DA C 131 5.107 27.067 6.692 1.00 0.00 C ATOM 969 N7 DA C 131 6.250 26.626 6.256 1.00 0.00 N ATOM 970 C5 DA C 131 6.567 25.626 7.173 1.00 0.00 C ATOM 971 C6 DA C 131 7.658 24.755 7.291 1.00 0.00 C ATOM 972 N6 DA C 131 8.676 24.745 6.432 1.00 0.00 N ATOM 973 N1 DA C 131 7.655 23.892 8.324 1.00 0.00 N ATOM 974 C2 DA C 131 6.637 23.885 9.187 1.00 0.00 C ATOM 975 N3 DA C 131 5.557 24.663 9.164 1.00 0.00 N ATOM 976 C4 DA C 131 5.590 25.517 8.120 1.00 0.00 C ATOM 0 H5' DA C 131 0.532 27.106 5.756 1.00 0.00 H new ATOM 0 H5'' DA C 131 -0.050 28.609 6.444 1.00 0.00 H new ATOM 0 H4' DA C 131 0.348 27.139 8.247 1.00 0.00 H new ATOM 0 H3' DA C 131 1.892 29.559 8.011 1.00 0.00 H new ATOM 0 H2' DA C 131 4.021 28.760 8.473 1.00 0.00 H new ATOM 0 H2'' DA C 131 3.415 28.235 10.031 1.00 0.00 H new ATOM 0 H1' DA C 131 3.371 26.043 9.379 1.00 0.00 H new ATOM 0 H8 DA C 131 4.572 27.867 6.201 1.00 0.00 H new ATOM 0 H61 DA C 131 9.447 24.090 6.563 1.00 0.00 H new ATOM 0 H62 DA C 131 8.684 25.392 5.644 1.00 0.00 H new ATOM 0 H2 DA C 131 6.696 23.169 9.993 1.00 0.00 H new ATOM 988 P DC C 132 1.570 30.023 10.805 1.00 0.00 P ATOM 989 OP1 DC C 132 0.377 30.440 11.576 1.00 0.00 O ATOM 990 OP2 DC C 132 2.351 31.032 10.056 1.00 0.00 O ATOM 991 O5' DC C 132 2.573 29.253 11.810 1.00 0.00 O ATOM 992 C5' DC C 132 2.151 28.067 12.488 1.00 0.00 C ATOM 993 C4' DC C 132 3.296 27.401 13.267 1.00 0.00 C ATOM 994 O4' DC C 132 4.255 26.793 12.371 1.00 0.00 O ATOM 995 C3' DC C 132 4.048 28.396 14.160 1.00 0.00 C ATOM 996 O3' DC C 132 3.783 28.135 15.541 1.00 0.00 O ATOM 997 C2' DC C 132 5.518 28.184 13.854 1.00 0.00 C ATOM 998 C1' DC C 132 5.602 27.087 12.806 1.00 0.00 C ATOM 999 N1 DC C 132 6.448 27.512 11.659 1.00 0.00 N ATOM 1000 C2 DC C 132 7.645 26.841 11.423 1.00 0.00 C ATOM 1001 O2 DC C 132 7.987 25.916 12.157 1.00 0.00 O ATOM 1002 N3 DC C 132 8.413 27.238 10.370 1.00 0.00 N ATOM 1003 C4 DC C 132 8.025 28.247 9.579 1.00 0.00 C ATOM 1004 N4 DC C 132 8.800 28.618 8.560 1.00 0.00 N ATOM 1005 C5 DC C 132 6.795 28.935 9.818 1.00 0.00 C ATOM 1006 C6 DC C 132 6.048 28.535 10.864 1.00 0.00 C ATOM 0 H5' DC C 132 1.749 27.360 11.762 1.00 0.00 H new ATOM 0 H5'' DC C 132 1.342 28.313 13.176 1.00 0.00 H new ATOM 0 H4' DC C 132 2.827 26.641 13.892 1.00 0.00 H new ATOM 0 H3' DC C 132 3.737 29.423 13.968 1.00 0.00 H new ATOM 0 H2' DC C 132 5.971 29.104 13.486 1.00 0.00 H new ATOM 0 H2'' DC C 132 6.062 27.899 14.755 1.00 0.00 H new ATOM 0 HO3' DC C 132 4.272 28.778 16.095 1.00 0.00 H new ATOM 0 H1' DC C 132 6.065 26.196 13.230 1.00 0.00 H new ATOM 0 H41 DC C 132 8.512 29.385 7.953 1.00 0.00 H new ATOM 0 H42 DC C 132 9.681 28.135 8.387 1.00 0.00 H new ATOM 0 H5 DC C 132 6.476 29.747 9.182 1.00 0.00 H new ATOM 0 H6 DC C 132 5.115 29.037 11.073 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -5.177 14.688 11.694 1.00 0.00 N ATOM 1021 CA LYS A 1 -5.934 13.985 12.768 1.00 0.00 C ATOM 1022 C LYS A 1 -6.142 12.525 12.364 1.00 0.00 C ATOM 1023 O LYS A 1 -7.246 12.074 12.137 1.00 0.00 O ATOM 1024 CB LYS A 1 -7.285 14.673 12.985 1.00 0.00 C ATOM 1025 CG LYS A 1 -7.947 14.951 11.626 1.00 0.00 C ATOM 1026 CD LYS A 1 -9.350 15.554 11.828 1.00 0.00 C ATOM 1027 CE LYS A 1 -9.256 17.071 12.048 1.00 0.00 C ATOM 1028 NZ LYS A 1 -9.014 17.751 10.744 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.292 15.716 11.804 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.169 14.443 11.763 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.541 14.396 10.765 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.370 14.022 13.700 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.932 14.042 13.594 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.146 15.606 13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.329 15.637 11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.020 14.026 11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.971 15.345 10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.834 15.085 12.685 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.177 17.441 12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.448 17.298 12.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.185 18.772 10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.030 17.593 10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.658 17.363 10.026 1.00 0.00 H new ATOM 1044 N ARG A 2 -5.070 11.785 12.293 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.164 10.346 11.924 1.00 0.00 C ATOM 1046 C ARG A 2 -5.882 9.578 13.034 1.00 0.00 C ATOM 1047 O ARG A 2 -6.674 8.694 12.782 1.00 0.00 O ATOM 1048 CB ARG A 2 -3.766 9.778 11.721 1.00 0.00 C ATOM 1049 CG ARG A 2 -3.886 8.313 11.283 1.00 0.00 C ATOM 1050 CD ARG A 2 -2.606 7.867 10.587 1.00 0.00 C ATOM 1051 NE ARG A 2 -1.497 7.757 11.578 1.00 0.00 N ATOM 1052 CZ ARG A 2 -0.415 7.090 11.275 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -0.303 6.519 10.106 1.00 0.00 N ATOM 1054 NH2 ARG A 2 0.554 6.991 12.143 1.00 0.00 N ATOM 0 H ARG A 2 -4.124 12.120 12.477 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.728 10.245 10.997 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.230 10.355 10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.192 9.850 12.645 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.077 7.681 12.150 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.735 8.195 10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.764 6.906 10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.339 8.581 9.808 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.583 8.202 12.492 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.061 6.593 9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.542 5.999 9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.467 7.434 13.058 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.399 6.470 11.907 1.00 0.00 H new ATOM 1068 N ALA A 3 -5.595 9.905 14.262 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.241 9.199 15.405 1.00 0.00 C ATOM 1070 C ALA A 3 -7.761 9.146 15.214 1.00 0.00 C ATOM 1071 O ALA A 3 -8.429 10.161 15.189 1.00 0.00 O ATOM 1072 CB ALA A 3 -5.931 9.964 16.694 1.00 0.00 C ATOM 0 H ALA A 3 -4.935 10.637 14.526 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.855 8.181 15.458 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.398 9.458 17.539 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.852 10.001 16.845 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.322 10.979 16.618 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.315 7.967 15.120 1.00 0.00 N ATOM 1079 CA GLY A 4 -9.797 7.835 14.976 1.00 0.00 C ATOM 1080 C GLY A 4 -10.236 7.954 13.510 1.00 0.00 C ATOM 1081 O GLY A 4 -11.374 7.682 13.183 1.00 0.00 O ATOM 0 H GLY A 4 -7.804 7.085 15.137 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.117 6.873 15.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.291 8.606 15.568 1.00 0.00 H new ATOM 1085 N THR A 5 -9.372 8.368 12.622 1.00 0.00 N ATOM 1086 CA THR A 5 -9.806 8.500 11.198 1.00 0.00 C ATOM 1087 C THR A 5 -10.192 7.127 10.654 1.00 0.00 C ATOM 1088 O THR A 5 -9.378 6.227 10.580 1.00 0.00 O ATOM 1089 CB THR A 5 -8.676 9.070 10.338 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.072 10.167 11.008 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.243 9.543 8.991 1.00 0.00 C ATOM 0 H THR A 5 -8.402 8.617 12.814 1.00 0.00 H new ATOM 0 HA THR A 5 -10.660 9.177 11.160 1.00 0.00 H new ATOM 0 HB THR A 5 -7.929 8.295 10.166 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.708 10.911 11.057 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.437 9.949 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.702 8.701 8.474 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.992 10.316 9.163 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.424 6.975 10.247 1.00 0.00 N ATOM 1100 CA VAL A 6 -11.894 5.680 9.666 1.00 0.00 C ATOM 1101 C VAL A 6 -12.408 5.973 8.264 1.00 0.00 C ATOM 1102 O VAL A 6 -13.021 6.996 8.031 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.022 5.098 10.513 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.473 4.700 11.882 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.124 6.143 10.679 1.00 0.00 C ATOM 0 H VAL A 6 -12.136 7.704 10.293 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.079 4.956 9.642 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.435 4.217 10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.277 4.284 12.489 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.689 3.953 11.757 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.061 5.579 12.378 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.930 5.728 11.284 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.717 7.026 11.172 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.512 6.422 9.699 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.175 5.113 7.322 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.664 5.391 5.952 1.00 0.00 C ATOM 1117 C CYS A 7 -14.181 5.461 5.934 1.00 0.00 C ATOM 1118 O CYS A 7 -14.867 4.494 6.183 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.202 4.283 5.026 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.550 4.768 3.326 1.00 0.00 S ATOM 0 H CYS A 7 -11.670 4.234 7.439 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.264 6.349 5.620 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.135 4.102 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.715 3.352 5.266 1.00 0.00 H new ATOM 1125 N SER A 8 -14.707 6.607 5.634 1.00 0.00 N ATOM 1126 CA SER A 8 -16.176 6.752 5.585 1.00 0.00 C ATOM 1127 C SER A 8 -16.754 5.803 4.534 1.00 0.00 C ATOM 1128 O SER A 8 -17.800 5.216 4.728 1.00 0.00 O ATOM 1129 CB SER A 8 -16.523 8.190 5.211 1.00 0.00 C ATOM 1130 OG SER A 8 -16.154 9.051 6.279 1.00 0.00 O ATOM 0 H SER A 8 -14.179 7.453 5.420 1.00 0.00 H new ATOM 0 HA SER A 8 -16.598 6.509 6.560 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.000 8.478 4.299 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.590 8.279 5.008 1.00 0.00 H new ATOM 0 HG SER A 8 -15.207 9.290 6.195 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.100 5.660 3.404 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.659 4.766 2.354 1.00 0.00 C ATOM 1138 C ASN A 9 -16.468 3.287 2.705 1.00 0.00 C ATOM 1139 O ASN A 9 -17.346 2.493 2.430 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.973 5.056 1.015 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.429 6.417 0.486 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.464 6.919 0.879 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.699 7.038 -0.400 1.00 0.00 N ATOM 0 H ASN A 9 -15.219 6.118 3.171 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.729 4.964 2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.890 5.048 1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.216 4.275 0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.997 7.944 -0.762 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.830 6.618 -0.730 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.340 2.876 3.276 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.164 1.407 3.580 1.00 0.00 C ATOM 1152 C CYS A 10 -14.707 1.149 5.030 1.00 0.00 C ATOM 1153 O CYS A 10 -14.334 0.047 5.366 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.200 0.759 2.560 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.466 1.082 2.974 1.00 0.00 S ATOM 0 H CYS A 10 -14.558 3.477 3.536 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.143 0.937 3.484 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.372 -0.317 2.530 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.413 1.144 1.563 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.786 2.122 5.905 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.422 1.905 7.349 1.00 0.00 C ATOM 1162 C GLN A 11 -12.990 1.391 7.562 1.00 0.00 C ATOM 1163 O GLN A 11 -12.591 1.165 8.687 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.413 0.914 7.986 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.744 1.617 8.268 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.705 0.637 8.944 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.225 -0.307 9.708 1.00 0.00 O flip ATOM 1168 NE2 GLN A 11 -18.905 0.738 8.785 1.00 0.00 N flip ATOM 0 H GLN A 11 -15.090 3.070 5.682 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.477 2.883 7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.573 0.067 7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.998 0.516 8.912 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.581 2.484 8.909 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.177 1.985 7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.280 1.475 8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.538 0.086 9.248 1.00 0.00 H new ATOM 1177 N THR A 12 -12.203 1.203 6.546 1.00 0.00 N ATOM 1178 CA THR A 12 -10.821 0.709 6.814 1.00 0.00 C ATOM 1179 C THR A 12 -10.092 1.744 7.687 1.00 0.00 C ATOM 1180 O THR A 12 -10.451 2.905 7.682 1.00 0.00 O ATOM 1181 CB THR A 12 -10.080 0.480 5.476 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.920 -0.301 5.717 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.660 1.806 4.807 1.00 0.00 C ATOM 0 H THR A 12 -12.442 1.363 5.567 1.00 0.00 H new ATOM 0 HA THR A 12 -10.851 -0.243 7.344 1.00 0.00 H new ATOM 0 HB THR A 12 -10.765 -0.033 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.446 -0.452 4.873 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.143 1.594 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.546 2.408 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.994 2.354 5.473 1.00 0.00 H new ATOM 1191 N SER A 13 -9.071 1.356 8.421 1.00 0.00 N ATOM 1192 CA SER A 13 -8.325 2.356 9.269 1.00 0.00 C ATOM 1193 C SER A 13 -6.817 2.154 9.062 1.00 0.00 C ATOM 1194 O SER A 13 -5.998 2.717 9.762 1.00 0.00 O ATOM 1195 CB SER A 13 -8.689 2.167 10.744 1.00 0.00 C ATOM 1196 OG SER A 13 -8.419 3.370 11.451 1.00 0.00 O ATOM 0 H SER A 13 -8.722 0.399 8.472 1.00 0.00 H new ATOM 0 HA SER A 13 -8.601 3.369 8.975 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.742 1.904 10.840 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.115 1.344 11.170 1.00 0.00 H new ATOM 0 HG SER A 13 -8.837 4.124 10.985 1.00 0.00 H new ATOM 1202 N THR A 14 -6.458 1.352 8.093 1.00 0.00 N ATOM 1203 CA THR A 14 -5.015 1.085 7.791 1.00 0.00 C ATOM 1204 C THR A 14 -4.684 1.693 6.433 1.00 0.00 C ATOM 1205 O THR A 14 -4.149 1.052 5.566 1.00 0.00 O ATOM 1206 CB THR A 14 -4.794 -0.422 7.723 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.422 -0.936 6.556 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.403 -1.071 8.961 1.00 0.00 C ATOM 0 H THR A 14 -7.114 0.861 7.486 1.00 0.00 H new ATOM 0 HA THR A 14 -4.381 1.519 8.565 1.00 0.00 H new ATOM 0 HB THR A 14 -3.727 -0.640 7.685 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.044 -0.502 5.763 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.249 -2.149 8.920 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.925 -0.670 9.855 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.471 -0.858 8.995 1.00 0.00 H new ATOM 1216 N THR A 15 -5.073 2.900 6.222 1.00 0.00 N ATOM 1217 CA THR A 15 -4.849 3.540 4.892 1.00 0.00 C ATOM 1218 C THR A 15 -3.391 3.954 4.715 1.00 0.00 C ATOM 1219 O THR A 15 -2.721 4.320 5.660 1.00 0.00 O ATOM 1220 CB THR A 15 -5.724 4.787 4.818 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.065 5.864 5.473 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.030 4.497 5.540 1.00 0.00 C ATOM 0 H THR A 15 -5.542 3.488 6.911 1.00 0.00 H new ATOM 0 HA THR A 15 -5.099 2.826 4.107 1.00 0.00 H new ATOM 0 HB THR A 15 -5.912 5.053 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.710 6.358 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.672 5.377 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.533 3.658 5.059 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.823 4.247 6.581 1.00 0.00 H new ATOM 1230 N THR A 16 -2.901 3.936 3.502 1.00 0.00 N ATOM 1231 CA THR A 16 -1.499 4.374 3.281 1.00 0.00 C ATOM 1232 C THR A 16 -1.494 5.897 3.369 1.00 0.00 C ATOM 1233 O THR A 16 -0.607 6.499 3.940 1.00 0.00 O ATOM 1234 CB THR A 16 -0.987 3.952 1.895 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.621 4.743 0.900 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.270 2.466 1.609 1.00 0.00 C ATOM 0 H THR A 16 -3.407 3.640 2.667 1.00 0.00 H new ATOM 0 HA THR A 16 -0.849 3.915 4.026 1.00 0.00 H new ATOM 0 HB THR A 16 0.093 4.102 1.877 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.984 4.160 0.201 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.893 2.208 0.620 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.774 1.850 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.345 2.287 1.646 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.515 6.521 2.827 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.624 8.011 2.892 1.00 0.00 C ATOM 1246 C LEU A 17 -4.091 8.371 3.128 1.00 0.00 C ATOM 1247 O LEU A 17 -4.974 7.859 2.468 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.135 8.665 1.584 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.524 10.046 1.882 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.203 9.897 2.682 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.275 10.788 0.551 1.00 0.00 C ATOM 0 H LEU A 17 -3.281 6.057 2.340 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.997 8.382 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.394 8.026 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.966 8.769 0.887 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.219 10.624 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.214 10.884 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.404 9.389 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.511 9.313 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.842 11.767 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.587 10.209 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.220 10.912 0.022 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.366 9.241 4.054 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.777 9.624 4.314 1.00 0.00 C ATOM 1265 C TRP A 18 -6.226 10.668 3.285 1.00 0.00 C ATOM 1266 O TRP A 18 -5.604 11.698 3.113 1.00 0.00 O ATOM 1267 CB TRP A 18 -5.873 10.212 5.733 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.016 9.102 6.732 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.117 8.787 7.693 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.108 8.150 6.870 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.597 7.706 8.413 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.819 7.282 7.946 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.311 7.960 6.174 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.692 6.263 8.322 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.190 6.934 6.546 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.882 6.087 7.617 1.00 0.00 C ATOM 0 H TRP A 18 -3.674 9.704 4.643 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.423 8.750 4.232 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.983 10.801 5.954 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.726 10.887 5.800 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.180 9.295 7.869 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.104 7.276 9.195 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.561 8.608 5.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.449 5.616 9.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.113 6.796 6.002 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.565 5.299 7.897 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.315 10.404 2.611 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.852 11.358 1.591 1.00 0.00 C ATOM 1289 C ARG A 19 -9.158 11.967 2.118 1.00 0.00 C ATOM 1290 O ARG A 19 -9.631 11.607 3.178 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.125 10.595 0.280 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.813 10.402 -0.520 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.404 11.714 -1.210 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.523 11.417 -2.392 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.396 10.761 -2.274 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.910 10.474 -1.098 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.724 10.436 -3.343 1.00 0.00 N ATOM 0 H ARG A 19 -7.865 9.553 2.725 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.129 12.152 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.568 9.624 0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.848 11.144 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.018 10.073 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.947 9.619 -1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.292 12.257 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.877 12.357 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.813 11.737 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.409 10.761 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.031 9.962 -1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.077 10.693 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.845 9.925 -3.257 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.759 12.865 1.375 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.054 13.480 1.810 1.00 0.00 C ATOM 1313 C ARG A 20 -12.031 13.392 0.635 1.00 0.00 C ATOM 1314 O ARG A 20 -11.647 13.556 -0.507 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.830 14.948 2.186 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.086 15.516 2.870 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.100 15.152 4.363 1.00 0.00 C ATOM 1318 NE ARG A 20 -13.172 15.937 5.042 1.00 0.00 N ATOM 1319 CZ ARG A 20 -13.508 15.664 6.273 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -12.896 14.712 6.922 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -14.450 16.352 6.860 1.00 0.00 N ATOM 0 H ARG A 20 -9.406 13.201 0.479 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.452 12.956 2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.973 15.034 2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.598 15.529 1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.111 16.600 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.980 15.123 2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.278 14.084 4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.131 15.369 4.813 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.644 16.690 4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.154 14.180 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.160 14.500 7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.923 17.102 6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.713 16.139 7.822 1.00 0.00 H new ATOM 1335 N SER A 21 -13.290 13.130 0.893 1.00 0.00 N ATOM 1336 CA SER A 21 -14.281 13.026 -0.229 1.00 0.00 C ATOM 1337 C SER A 21 -14.912 14.412 -0.489 1.00 0.00 C ATOM 1338 O SER A 21 -14.865 15.283 0.356 1.00 0.00 O ATOM 1339 CB SER A 21 -15.351 11.980 0.129 1.00 0.00 C ATOM 1340 OG SER A 21 -15.177 10.833 -0.691 1.00 0.00 O ATOM 0 H SER A 21 -13.674 12.984 1.826 1.00 0.00 H new ATOM 0 HA SER A 21 -13.782 12.704 -1.143 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.270 11.705 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.347 12.397 -0.016 1.00 0.00 H new ATOM 0 HG SER A 21 -15.856 10.163 -0.465 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.487 14.619 -1.661 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.110 15.934 -2.002 1.00 0.00 C ATOM 1348 C PRO A 22 -17.171 16.365 -0.977 1.00 0.00 C ATOM 1349 O PRO A 22 -17.571 17.511 -0.922 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.754 15.655 -3.381 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.488 14.183 -3.764 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.558 13.563 -2.713 1.00 0.00 C ATOM 0 HA PRO A 22 -15.388 16.750 -2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.826 15.848 -3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.337 16.323 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.426 13.630 -3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.033 14.126 -4.753 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.959 12.629 -2.320 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.575 13.339 -3.126 1.00 0.00 H new ATOM 1360 N MET A 23 -17.639 15.441 -0.185 1.00 0.00 N ATOM 1361 CA MET A 23 -18.689 15.761 0.827 1.00 0.00 C ATOM 1362 C MET A 23 -18.034 16.088 2.171 1.00 0.00 C ATOM 1363 O MET A 23 -18.673 16.574 3.082 1.00 0.00 O ATOM 1364 CB MET A 23 -19.590 14.534 0.988 1.00 0.00 C ATOM 1365 CG MET A 23 -20.865 14.907 1.747 1.00 0.00 C ATOM 1366 SD MET A 23 -21.894 13.427 1.929 1.00 0.00 S ATOM 1367 CE MET A 23 -23.244 14.184 2.866 1.00 0.00 C ATOM 0 H MET A 23 -17.337 14.467 -0.195 1.00 0.00 H new ATOM 0 HA MET A 23 -19.271 16.622 0.499 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.847 14.132 0.008 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.056 13.750 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.615 15.315 2.726 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.411 15.682 1.209 1.00 0.00 H new ATOM 0 HE1 MET A 23 -24.001 13.431 3.087 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.855 14.592 3.799 1.00 0.00 H new ATOM 0 HE3 MET A 23 -23.691 14.986 2.278 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.765 15.814 2.307 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.068 16.092 3.599 1.00 0.00 C ATOM 1379 C GLY A 24 -16.074 14.821 4.452 1.00 0.00 C ATOM 1380 O GLY A 24 -15.928 14.866 5.657 1.00 0.00 O ATOM 0 H GLY A 24 -16.178 15.409 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.044 16.415 3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.567 16.903 4.129 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.235 13.683 3.828 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.246 12.388 4.570 1.00 0.00 C ATOM 1386 C ASP A 25 -14.848 11.732 4.451 1.00 0.00 C ATOM 1387 O ASP A 25 -14.446 11.375 3.362 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.275 11.469 3.899 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.652 12.141 3.907 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.935 12.859 4.851 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.402 11.922 2.968 1.00 0.00 O ATOM 0 H ASP A 25 -16.361 13.596 2.820 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.494 12.549 5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.971 11.254 2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.322 10.515 4.425 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.094 11.566 5.530 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.739 10.937 5.421 1.00 0.00 C ATOM 1398 C PRO A 26 -12.764 9.615 4.635 1.00 0.00 C ATOM 1399 O PRO A 26 -13.658 8.808 4.795 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.368 10.715 6.898 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.264 11.635 7.741 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.509 11.973 6.907 1.00 0.00 C ATOM 0 HA PRO A 26 -12.024 11.551 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.517 9.672 7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.316 10.943 7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.549 11.143 8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.728 12.544 8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.387 11.423 7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.758 13.033 6.960 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.781 9.387 3.793 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.742 8.109 3.003 1.00 0.00 C ATOM 1412 C VAL A 27 -10.306 7.587 2.902 1.00 0.00 C ATOM 1413 O VAL A 27 -9.354 8.324 3.069 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.314 8.339 1.595 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.849 8.309 1.658 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.834 9.700 1.053 1.00 0.00 C ATOM 0 H VAL A 27 -11.006 10.027 3.618 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.351 7.366 3.518 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.966 7.551 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.257 8.472 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.179 7.340 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.201 9.094 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.242 9.858 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.175 10.496 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.745 9.709 1.006 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.140 6.314 2.617 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.768 5.751 2.492 1.00 0.00 C ATOM 1428 C CYS A 28 -8.236 6.031 1.087 1.00 0.00 C ATOM 1429 O CYS A 28 -8.988 6.251 0.159 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.772 4.244 2.828 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.596 3.241 1.552 1.00 0.00 S ATOM 0 H CYS A 28 -10.898 5.648 2.467 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.100 6.231 3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.745 3.900 2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.272 4.091 3.784 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.945 6.076 0.936 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.357 6.405 -0.393 1.00 0.00 C ATOM 1438 C ASN A 29 -6.994 5.549 -1.492 1.00 0.00 C ATOM 1439 O ASN A 29 -7.121 5.983 -2.620 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.849 6.141 -0.346 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.200 6.612 -1.648 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -3.726 7.826 -1.726 1.00 0.00 O flip ATOM 1443 ND2 ASN A 29 -4.111 5.864 -2.601 1.00 0.00 N flip ATOM 0 H ASN A 29 -6.267 5.899 1.677 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.549 7.454 -0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.405 6.663 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.661 5.077 -0.199 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.481 4.915 -2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.666 6.185 -3.461 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.400 4.351 -1.191 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.025 3.505 -2.247 1.00 0.00 C ATOM 1452 C ALA A 30 -9.429 4.034 -2.604 1.00 0.00 C ATOM 1453 O ALA A 30 -9.731 4.272 -3.757 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.118 2.067 -1.747 1.00 0.00 C ATOM 0 H ALA A 30 -7.329 3.921 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.409 3.541 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.575 1.443 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.118 1.694 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.728 2.034 -0.844 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.295 4.203 -1.634 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.674 4.699 -1.948 1.00 0.00 C ATOM 1462 C CYS A 31 -11.598 6.055 -2.634 1.00 0.00 C ATOM 1463 O CYS A 31 -12.315 6.328 -3.558 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.491 4.866 -0.664 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.959 3.254 -0.016 1.00 0.00 S ATOM 0 H CYS A 31 -10.110 4.021 -0.647 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.151 3.968 -2.601 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.908 5.410 0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.383 5.459 -0.866 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.749 6.917 -2.182 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.677 8.256 -2.819 1.00 0.00 C ATOM 1472 C GLY A 32 -10.393 8.114 -4.316 1.00 0.00 C ATOM 1473 O GLY A 32 -11.060 8.709 -5.139 1.00 0.00 O ATOM 0 H GLY A 32 -10.105 6.761 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.616 8.789 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.894 8.850 -2.347 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.406 7.343 -4.681 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.088 7.184 -6.131 1.00 0.00 C ATOM 1479 C LEU A 33 -10.188 6.386 -6.835 1.00 0.00 C ATOM 1480 O LEU A 33 -10.691 6.787 -7.865 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.754 6.446 -6.272 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.635 7.254 -5.592 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.441 6.337 -5.311 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.182 8.406 -6.505 1.00 0.00 C ATOM 0 H LEU A 33 -8.808 6.818 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.022 8.170 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.826 5.457 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.519 6.299 -7.326 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.016 7.665 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.648 6.909 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.753 5.525 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.071 5.923 -6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.390 8.970 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.808 8.000 -7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.027 9.065 -6.705 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.568 5.262 -6.298 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.634 4.450 -6.952 1.00 0.00 C ATOM 1498 C TYR A 34 -12.918 5.272 -7.040 1.00 0.00 C ATOM 1499 O TYR A 34 -13.576 5.315 -8.061 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.884 3.196 -6.111 1.00 0.00 C ATOM 1501 CG TYR A 34 -12.995 2.376 -6.718 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.324 2.722 -6.469 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.697 1.264 -7.514 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.358 1.959 -7.015 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.734 0.499 -8.065 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.066 0.848 -7.814 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.092 0.095 -8.351 1.00 0.00 O ATOM 0 H TYR A 34 -10.189 4.870 -5.436 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.322 4.165 -7.957 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.973 2.601 -6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.146 3.479 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.553 3.580 -5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.668 0.996 -7.704 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.386 2.227 -6.820 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.506 -0.358 -8.682 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.716 -0.639 -8.881 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.275 5.919 -5.972 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.512 6.743 -5.962 1.00 0.00 C ATOM 1519 C TYR A 35 -14.410 7.857 -7.007 1.00 0.00 C ATOM 1520 O TYR A 35 -15.314 8.096 -7.762 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.692 7.371 -4.577 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.093 7.903 -4.450 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.382 9.212 -4.843 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.103 7.083 -3.938 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.687 9.704 -4.723 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.406 7.571 -3.817 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.700 8.883 -4.209 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.986 9.366 -4.091 1.00 0.00 O ATOM 0 H TYR A 35 -12.757 5.913 -5.094 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.365 6.106 -6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.501 6.629 -3.801 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.971 8.176 -4.434 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.600 9.843 -5.239 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.875 6.071 -3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.913 10.716 -5.026 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.186 6.937 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.565 8.668 -3.719 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.325 8.561 -7.045 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.204 9.667 -8.036 1.00 0.00 C ATOM 1540 C LYS A 36 -13.335 9.111 -9.457 1.00 0.00 C ATOM 1541 O LYS A 36 -13.955 9.711 -10.313 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.834 10.325 -7.853 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.651 11.476 -8.849 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.268 12.121 -8.645 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.182 11.338 -9.411 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.975 11.965 -10.747 1.00 0.00 N ATOM 0 H LYS A 36 -12.516 8.425 -6.439 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.995 10.401 -7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.738 10.700 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.047 9.585 -7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.743 11.105 -9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.435 12.220 -8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.289 13.155 -8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.025 12.144 -7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.249 11.340 -8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.482 10.297 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.243 11.440 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.866 11.941 -11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.671 12.952 -10.624 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.752 7.979 -9.719 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.835 7.391 -11.087 1.00 0.00 C ATOM 1562 C LEU A 37 -14.242 6.834 -11.381 1.00 0.00 C ATOM 1563 O LEU A 37 -14.730 6.971 -12.485 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.773 6.278 -11.213 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.452 6.847 -11.767 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.970 8.031 -10.917 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.388 5.748 -11.747 1.00 0.00 C ATOM 0 H LEU A 37 -12.219 7.431 -9.044 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.643 8.174 -11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.598 5.823 -10.238 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.140 5.491 -11.871 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.620 7.195 -12.786 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.036 8.417 -11.326 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.724 8.818 -10.929 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.807 7.700 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.450 6.143 -12.138 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.239 5.404 -10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.716 4.913 -12.366 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.891 6.192 -10.430 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.258 5.615 -10.707 1.00 0.00 C ATOM 1581 C HIS A 38 -17.354 6.329 -9.898 1.00 0.00 C ATOM 1582 O HIS A 38 -18.524 6.171 -10.176 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.255 4.124 -10.358 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.346 3.393 -11.310 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.829 2.726 -12.426 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.984 3.222 -11.333 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.774 2.192 -13.068 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.625 2.464 -12.444 1.00 0.00 N ATOM 0 H HIS A 38 -14.540 6.043 -9.484 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.478 5.759 -11.765 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.918 3.980 -9.332 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.266 3.722 -10.421 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -16.806 2.653 -12.709 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.295 3.616 -10.600 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.847 1.614 -13.977 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.007 7.129 -8.925 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.031 7.869 -8.122 1.00 0.00 C ATOM 1598 C GLN A 39 -19.217 6.966 -7.757 1.00 0.00 C ATOM 1599 O GLN A 39 -20.364 7.254 -8.032 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.454 9.126 -8.888 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.356 10.013 -8.023 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.549 11.358 -8.723 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -20.486 11.537 -9.475 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -18.689 12.317 -8.514 1.00 0.00 N ATOM 0 H GLN A 39 -16.042 7.305 -8.646 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.597 8.181 -7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.570 9.686 -9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.981 8.842 -9.799 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.320 9.529 -7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.908 10.161 -7.040 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -17.902 12.168 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -18.804 13.216 -8.982 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.922 5.879 -7.101 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.967 4.931 -6.643 1.00 0.00 C ATOM 1615 C VAL A 40 -19.449 4.265 -5.369 1.00 0.00 C ATOM 1616 O VAL A 40 -18.256 4.178 -5.154 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.235 3.863 -7.701 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.059 4.454 -8.844 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.913 3.312 -8.239 1.00 0.00 C ATOM 0 H VAL A 40 -17.970 5.604 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.900 5.464 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.797 3.048 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.245 3.685 -9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.009 4.820 -8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.511 5.279 -9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.116 2.551 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.337 4.122 -8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.343 2.870 -7.421 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.315 3.795 -4.519 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.830 3.142 -3.263 1.00 0.00 C ATOM 1631 C ASN A 41 -19.496 1.675 -3.549 1.00 0.00 C ATOM 1632 O ASN A 41 -20.326 0.904 -3.988 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.897 3.240 -2.170 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.232 2.712 -2.698 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.475 1.522 -2.689 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.116 3.555 -3.159 1.00 0.00 N ATOM 0 H ASN A 41 -21.328 3.831 -4.632 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.933 3.653 -2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.589 2.666 -1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -21.007 4.276 -1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -24.010 3.214 -3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.912 4.554 -3.167 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.264 1.304 -3.321 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.806 -0.092 -3.586 1.00 0.00 C ATOM 1645 C ARG A 42 -18.013 -0.959 -2.320 1.00 0.00 C ATOM 1646 O ARG A 42 -17.752 -0.502 -1.225 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.309 -0.013 -3.927 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.698 -1.406 -4.160 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.170 -1.306 -4.103 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.762 -0.695 -2.802 1.00 0.00 N ATOM 1651 CZ ARG A 42 -12.519 -0.747 -2.413 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -11.624 -1.317 -3.168 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -12.171 -0.218 -1.272 1.00 0.00 N ATOM 0 H ARG A 42 -17.541 1.923 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.369 -0.543 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.172 0.597 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.778 0.485 -3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.056 -2.104 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.012 -1.796 -5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.725 -2.296 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.803 -0.702 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.459 -0.235 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.896 -1.723 -4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.651 -1.358 -2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.871 0.236 -0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.199 -0.258 -0.967 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.460 -2.202 -2.444 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.650 -3.066 -1.240 1.00 0.00 C ATOM 1669 C PRO A 43 -17.340 -3.280 -0.461 1.00 0.00 C ATOM 1670 O PRO A 43 -16.256 -3.224 -1.008 1.00 0.00 O ATOM 1671 CB PRO A 43 -19.177 -4.387 -1.837 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.085 -4.296 -3.371 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.808 -2.832 -3.756 1.00 0.00 C ATOM 0 HA PRO A 43 -19.327 -2.622 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.590 -5.230 -1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.208 -4.558 -1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.290 -4.942 -3.742 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.014 -4.639 -3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.991 -2.750 -4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.680 -2.362 -4.211 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.449 -3.511 0.817 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.241 -3.719 1.671 1.00 0.00 C ATOM 1683 C LEU A 44 -15.558 -5.049 1.332 1.00 0.00 C ATOM 1684 O LEU A 44 -14.551 -5.396 1.913 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.681 -3.728 3.146 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.847 -2.289 3.648 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -18.109 -1.661 3.052 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.953 -2.283 5.175 1.00 0.00 C ATOM 0 H LEU A 44 -18.337 -3.566 1.316 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.529 -2.914 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.621 -4.270 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.942 -4.251 3.752 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.978 -1.709 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.214 -0.639 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -18.032 -1.652 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.981 -2.244 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.071 -1.258 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.816 -2.874 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.048 -2.713 5.604 1.00 0.00 H new ATOM 1700 N THR A 45 -16.091 -5.804 0.415 1.00 0.00 N ATOM 1701 CA THR A 45 -15.446 -7.105 0.082 1.00 0.00 C ATOM 1702 C THR A 45 -14.027 -6.858 -0.434 1.00 0.00 C ATOM 1703 O THR A 45 -13.226 -7.769 -0.513 1.00 0.00 O ATOM 1704 CB THR A 45 -16.263 -7.842 -0.985 1.00 0.00 C ATOM 1705 OG1 THR A 45 -16.481 -6.985 -2.097 1.00 0.00 O ATOM 1706 CG2 THR A 45 -17.612 -8.279 -0.398 1.00 0.00 C ATOM 0 H THR A 45 -16.935 -5.582 -0.113 1.00 0.00 H new ATOM 0 HA THR A 45 -15.403 -7.720 0.981 1.00 0.00 H new ATOM 0 HB THR A 45 -15.712 -8.724 -1.312 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.002 -7.459 -2.778 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.188 -8.802 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.442 -8.944 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 45 -18.165 -7.401 -0.064 1.00 0.00 H new ATOM 1714 N MET A 46 -13.703 -5.637 -0.789 1.00 0.00 N ATOM 1715 CA MET A 46 -12.322 -5.348 -1.304 1.00 0.00 C ATOM 1716 C MET A 46 -11.467 -4.782 -0.171 1.00 0.00 C ATOM 1717 O MET A 46 -10.301 -4.487 -0.341 1.00 0.00 O ATOM 1718 CB MET A 46 -12.397 -4.340 -2.457 1.00 0.00 C ATOM 1719 CG MET A 46 -11.016 -4.193 -3.114 1.00 0.00 C ATOM 1720 SD MET A 46 -11.211 -3.567 -4.801 1.00 0.00 S ATOM 1721 CE MET A 46 -9.452 -3.322 -5.149 1.00 0.00 C ATOM 0 H MET A 46 -14.328 -4.832 -0.746 1.00 0.00 H new ATOM 0 HA MET A 46 -11.871 -6.270 -1.671 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.127 -4.672 -3.195 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.737 -3.374 -2.085 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.396 -3.512 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.505 -5.156 -3.129 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.324 -3.034 -6.192 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.060 -2.535 -4.505 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.911 -4.249 -4.960 1.00 0.00 H new ATOM 1731 N ARG A 47 -12.045 -4.640 0.984 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.287 -4.106 2.147 1.00 0.00 C ATOM 1733 C ARG A 47 -10.382 -5.204 2.710 1.00 0.00 C ATOM 1734 O ARG A 47 -10.783 -6.344 2.838 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.288 -3.646 3.206 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.576 -3.286 4.509 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.610 -2.733 5.484 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.016 -2.660 6.858 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.626 -3.734 7.488 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.878 -4.915 6.991 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.019 -3.630 8.638 1.00 0.00 N ATOM 0 H ARG A 47 -13.019 -4.873 1.176 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.665 -3.264 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.841 -2.782 2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.016 -4.435 3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.089 -4.165 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.796 -2.548 4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.934 -1.743 5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.494 -3.370 5.492 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.914 -1.751 7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.381 -5.000 6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.572 -5.753 7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.850 -2.710 9.044 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.714 -4.469 9.131 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.160 -4.864 3.038 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.201 -5.873 3.592 1.00 0.00 C ATOM 1757 C LYS A 48 -7.699 -5.375 4.952 1.00 0.00 C ATOM 1758 O LYS A 48 -7.343 -4.223 5.100 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.024 -6.009 2.620 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.001 -7.034 3.133 1.00 0.00 C ATOM 1761 CD LYS A 48 -6.646 -8.428 3.198 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.569 -9.514 3.223 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.217 -10.841 3.030 1.00 0.00 N ATOM 0 H LYS A 48 -8.781 -3.922 2.945 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.686 -6.841 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.391 -6.315 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.540 -5.041 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.133 -7.056 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.644 -6.742 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.270 -8.506 4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.299 -8.574 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.835 -9.335 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.032 -9.491 4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.492 -11.587 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.902 -11.008 3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.710 -10.857 2.115 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.686 -6.219 5.952 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.229 -5.764 7.300 1.00 0.00 C ATOM 1779 C ASP A 49 -5.930 -4.961 7.170 1.00 0.00 C ATOM 1780 O ASP A 49 -5.939 -3.747 7.136 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.989 -6.980 8.200 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.322 -7.674 8.490 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.218 -7.010 8.986 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.425 -8.858 8.212 1.00 0.00 O ATOM 0 H ASP A 49 -7.970 -7.197 5.895 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.999 -5.131 7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.304 -7.675 7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.519 -6.668 9.133 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.811 -5.633 7.115 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.507 -4.915 7.006 1.00 0.00 C ATOM 1791 C GLY A 50 -3.372 -4.268 5.624 1.00 0.00 C ATOM 1792 O GLY A 50 -4.238 -4.392 4.780 1.00 0.00 O ATOM 0 H GLY A 50 -4.743 -6.650 7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.438 -4.152 7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.685 -5.612 7.171 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.284 -3.578 5.389 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.071 -2.918 4.071 1.00 0.00 C ATOM 1798 C ILE A 51 -1.302 -3.848 3.132 1.00 0.00 C ATOM 1799 O ILE A 51 -0.369 -4.519 3.528 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.289 -1.625 4.288 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -1.987 -0.819 5.402 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.260 -0.827 2.980 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.602 0.664 5.329 1.00 0.00 C ATOM 0 H ILE A 51 -1.529 -3.444 6.062 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.035 -2.692 3.615 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.262 -1.838 4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.068 -0.923 5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.711 -1.223 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.702 0.098 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.777 -1.420 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.280 -0.590 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.107 1.211 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.523 0.766 5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.902 1.071 4.363 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.676 -3.872 1.884 1.00 0.00 N ATOM 1816 CA GLN A 52 -0.955 -4.739 0.911 1.00 0.00 C ATOM 1817 C GLN A 52 0.347 -4.050 0.516 1.00 0.00 C ATOM 1818 O GLN A 52 0.444 -2.842 0.517 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.817 -4.954 -0.337 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.081 -5.731 0.041 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.086 -4.771 0.674 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.342 -4.840 1.857 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.660 -3.864 -0.068 1.00 0.00 N ATOM 0 H GLN A 52 -2.448 -3.330 1.496 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.746 -5.707 1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.086 -3.993 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.253 -5.502 -1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.513 -6.199 -0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.836 -6.532 0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.443 -3.807 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.325 -3.212 0.347 1.00 0.00 H new ATOM 1832 N THR A 53 1.359 -4.806 0.199 1.00 0.00 N ATOM 1833 CA THR A 53 2.666 -4.193 -0.186 1.00 0.00 C ATOM 1834 C THR A 53 3.248 -4.949 -1.376 1.00 0.00 C ATOM 1835 O THR A 53 2.873 -6.066 -1.670 1.00 0.00 O ATOM 1836 CB THR A 53 3.633 -4.250 0.998 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.969 -4.279 0.518 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.352 -5.499 1.823 1.00 0.00 C ATOM 0 H THR A 53 1.340 -5.826 0.189 1.00 0.00 H new ATOM 0 HA THR A 53 2.512 -3.150 -0.464 1.00 0.00 H new ATOM 0 HB THR A 53 3.497 -3.368 1.624 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.588 -4.314 1.277 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.041 -5.540 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.327 -5.468 2.192 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.487 -6.384 1.201 1.00 0.00 H new ATOM 1846 N ARG A 54 4.145 -4.322 -2.073 1.00 0.00 N ATOM 1847 CA ARG A 54 4.757 -4.962 -3.272 1.00 0.00 C ATOM 1848 C ARG A 54 6.162 -4.402 -3.488 1.00 0.00 C ATOM 1849 O ARG A 54 6.548 -3.424 -2.880 1.00 0.00 O ATOM 1850 CB ARG A 54 3.872 -4.650 -4.497 1.00 0.00 C ATOM 1851 CG ARG A 54 3.974 -5.778 -5.543 1.00 0.00 C ATOM 1852 CD ARG A 54 2.989 -6.904 -5.196 1.00 0.00 C ATOM 1853 NE ARG A 54 3.364 -8.142 -5.937 1.00 0.00 N ATOM 1854 CZ ARG A 54 2.836 -9.287 -5.600 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.950 -9.341 -4.642 1.00 0.00 N ATOM 1856 NH2 ARG A 54 3.186 -10.378 -6.226 1.00 0.00 N ATOM 0 H ARG A 54 4.487 -3.384 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 54 4.827 -6.041 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.835 -4.531 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.180 -3.704 -4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.756 -5.385 -6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.991 -6.169 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.000 -7.093 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.973 -6.606 -5.456 1.00 0.00 H new ATOM 0 HE ARG A 54 4.032 -8.094 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.671 -8.488 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.537 -10.236 -4.379 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.873 -10.336 -6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.773 -11.272 -5.962 1.00 0.00 H new ATOM 1870 N ASN A 55 6.926 -4.991 -4.370 1.00 0.00 N ATOM 1871 CA ASN A 55 8.286 -4.444 -4.623 1.00 0.00 C ATOM 1872 C ASN A 55 8.109 -2.970 -4.983 1.00 0.00 C ATOM 1873 O ASN A 55 7.176 -2.597 -5.664 1.00 0.00 O ATOM 1874 CB ASN A 55 8.956 -5.188 -5.781 1.00 0.00 C ATOM 1875 CG ASN A 55 9.064 -6.674 -5.441 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.994 -7.095 -4.783 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.137 -7.491 -5.861 1.00 0.00 N ATOM 0 H ASN A 55 6.671 -5.813 -4.917 1.00 0.00 H new ATOM 0 HA ASN A 55 8.919 -4.563 -3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.378 -5.055 -6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.947 -4.774 -5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.193 -8.484 -5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.357 -7.136 -6.413 1.00 0.00 H new ATOM 1884 N ARG A 56 8.959 -2.127 -4.486 1.00 0.00 N ATOM 1885 CA ARG A 56 8.801 -0.672 -4.752 1.00 0.00 C ATOM 1886 C ARG A 56 8.910 -0.350 -6.243 1.00 0.00 C ATOM 1887 O ARG A 56 9.836 -0.750 -6.921 1.00 0.00 O ATOM 1888 CB ARG A 56 9.877 0.105 -3.992 1.00 0.00 C ATOM 1889 CG ARG A 56 9.591 0.050 -2.488 1.00 0.00 C ATOM 1890 CD ARG A 56 10.471 1.074 -1.773 1.00 0.00 C ATOM 1891 NE ARG A 56 10.471 0.811 -0.297 1.00 0.00 N ATOM 1892 CZ ARG A 56 9.368 0.741 0.399 1.00 0.00 C ATOM 1893 NH1 ARG A 56 8.226 1.083 -0.126 1.00 0.00 N ATOM 1894 NH2 ARG A 56 9.420 0.382 1.653 1.00 0.00 N ATOM 0 H ARG A 56 9.759 -2.379 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 56 7.807 -0.379 -4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.860 -0.318 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.898 1.141 -4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.539 0.261 -2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.790 -0.950 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.489 1.023 -2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.105 2.081 -1.971 1.00 0.00 H new ATOM 0 HE ARG A 56 11.363 0.682 0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.186 1.410 -1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.372 1.024 0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.318 0.159 2.083 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.563 0.325 2.203 1.00 0.00 H new ATOM 1908 N LYS A 57 7.961 0.397 -6.740 1.00 0.00 N ATOM 1909 CA LYS A 57 7.964 0.797 -8.174 1.00 0.00 C ATOM 1910 C LYS A 57 9.319 1.422 -8.517 1.00 0.00 C ATOM 1911 O LYS A 57 9.952 2.030 -7.677 1.00 0.00 O ATOM 1912 CB LYS A 57 6.855 1.843 -8.383 1.00 0.00 C ATOM 1913 CG LYS A 57 6.691 2.190 -9.891 1.00 0.00 C ATOM 1914 CD LYS A 57 6.851 3.704 -10.125 1.00 0.00 C ATOM 1915 CE LYS A 57 5.610 4.450 -9.618 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.839 5.920 -9.721 1.00 0.00 N ATOM 0 H LYS A 57 7.171 0.752 -6.202 1.00 0.00 H new ATOM 0 HA LYS A 57 7.792 -0.070 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.913 1.462 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.093 2.747 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.433 1.647 -10.476 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.710 1.865 -10.239 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.740 4.068 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.996 3.902 -11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.736 4.165 -10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.404 4.175 -8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.947 6.424 -9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.549 6.211 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.181 6.152 -10.675 1.00 0.00 H new ATOM 1930 N VAL A 58 9.769 1.275 -9.741 1.00 0.00 N ATOM 1931 CA VAL A 58 11.088 1.862 -10.142 1.00 0.00 C ATOM 1932 C VAL A 58 11.222 3.269 -9.549 1.00 0.00 C ATOM 1933 O VAL A 58 10.242 3.962 -9.354 1.00 0.00 O ATOM 1934 CB VAL A 58 11.160 1.943 -11.674 1.00 0.00 C ATOM 1935 CG1 VAL A 58 10.085 2.898 -12.192 1.00 0.00 C ATOM 1936 CG2 VAL A 58 12.537 2.456 -12.109 1.00 0.00 C ATOM 0 H VAL A 58 9.279 0.773 -10.481 1.00 0.00 H new ATOM 0 HA VAL A 58 11.897 1.234 -9.770 1.00 0.00 H new ATOM 0 HB VAL A 58 10.997 0.947 -12.086 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.140 2.952 -13.279 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.101 2.534 -11.896 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.246 3.890 -11.771 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.578 2.510 -13.197 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.705 3.448 -11.690 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.309 1.775 -11.750 1.00 0.00 H new ATOM 1946 N SER A 59 12.418 3.702 -9.262 1.00 0.00 N ATOM 1947 CA SER A 59 12.582 5.070 -8.688 1.00 0.00 C ATOM 1948 C SER A 59 12.567 6.080 -9.833 1.00 0.00 C ATOM 1949 O SER A 59 13.253 5.917 -10.822 1.00 0.00 O ATOM 1950 CB SER A 59 13.903 5.171 -7.927 1.00 0.00 C ATOM 1951 OG SER A 59 14.090 6.512 -7.493 1.00 0.00 O ATOM 0 H SER A 59 13.281 3.176 -9.397 1.00 0.00 H new ATOM 0 HA SER A 59 11.768 5.276 -7.993 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.896 4.496 -7.071 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.730 4.865 -8.567 1.00 0.00 H new ATOM 0 HG SER A 59 14.936 6.582 -7.003 1.00 0.00 H new ATOM 1957 N SER A 60 11.779 7.116 -9.721 1.00 0.00 N ATOM 1958 CA SER A 60 11.710 8.128 -10.817 1.00 0.00 C ATOM 1959 C SER A 60 11.491 9.518 -10.215 1.00 0.00 C ATOM 1960 O SER A 60 10.862 9.662 -9.186 1.00 0.00 O ATOM 1961 CB SER A 60 10.539 7.783 -11.738 1.00 0.00 C ATOM 1962 OG SER A 60 10.478 8.728 -12.798 1.00 0.00 O ATOM 0 H SER A 60 11.180 7.306 -8.918 1.00 0.00 H new ATOM 0 HA SER A 60 12.641 8.123 -11.384 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.662 6.777 -12.139 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.605 7.790 -11.176 1.00 0.00 H new ATOM 0 HG SER A 60 9.729 8.507 -13.390 1.00 0.00 H new ATOM 1968 N LYS A 61 11.998 10.545 -10.847 1.00 0.00 N ATOM 1969 CA LYS A 61 11.806 11.925 -10.303 1.00 0.00 C ATOM 1970 C LYS A 61 10.522 12.523 -10.884 1.00 0.00 C ATOM 1971 O LYS A 61 9.445 12.331 -10.357 1.00 0.00 O ATOM 1972 CB LYS A 61 13.005 12.800 -10.685 1.00 0.00 C ATOM 1973 CG LYS A 61 12.816 14.218 -10.131 1.00 0.00 C ATOM 1974 CD LYS A 61 14.056 15.054 -10.453 1.00 0.00 C ATOM 1975 CE LYS A 61 13.854 16.493 -9.974 1.00 0.00 C ATOM 1976 NZ LYS A 61 14.983 17.332 -10.465 1.00 0.00 N ATOM 0 H LYS A 61 12.535 10.490 -11.713 1.00 0.00 H new ATOM 0 HA LYS A 61 11.727 11.882 -9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.923 12.366 -10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.110 12.835 -11.769 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.930 14.677 -10.569 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.657 14.182 -9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.932 14.621 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.244 15.042 -11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.906 16.883 -10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.808 16.524 -8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.853 18.312 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.880 16.961 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.006 17.309 -11.504 1.00 0.00 H new ATOM 1990 N GLY A 62 10.627 13.247 -11.965 1.00 0.00 N ATOM 1991 CA GLY A 62 9.415 13.857 -12.576 1.00 0.00 C ATOM 1992 C GLY A 62 9.814 14.623 -13.836 1.00 0.00 C ATOM 1993 O GLY A 62 10.957 14.601 -14.251 1.00 0.00 O ATOM 0 H GLY A 62 11.502 13.442 -12.451 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.689 13.082 -12.823 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.935 14.529 -11.865 1.00 0.00 H new ATOM 1997 N LYS A 63 8.877 15.304 -14.445 1.00 0.00 N ATOM 1998 CA LYS A 63 9.171 16.087 -15.684 1.00 0.00 C ATOM 1999 C LYS A 63 8.699 17.524 -15.485 1.00 0.00 C ATOM 2000 O LYS A 63 7.803 17.788 -14.708 1.00 0.00 O ATOM 2001 CB LYS A 63 8.418 15.468 -16.860 1.00 0.00 C ATOM 2002 CG LYS A 63 8.891 14.030 -17.065 1.00 0.00 C ATOM 2003 CD LYS A 63 8.137 13.410 -18.243 1.00 0.00 C ATOM 2004 CE LYS A 63 8.618 11.974 -18.468 1.00 0.00 C ATOM 2005 NZ LYS A 63 7.998 11.071 -17.458 1.00 0.00 N ATOM 0 H LYS A 63 7.907 15.351 -14.132 1.00 0.00 H new ATOM 0 HA LYS A 63 10.242 16.073 -15.887 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.345 15.486 -16.669 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.590 16.052 -17.764 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.964 14.012 -17.256 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.718 13.446 -16.161 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.065 13.418 -18.045 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.299 14.003 -19.143 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.355 11.646 -19.473 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.704 11.928 -18.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.314 10.094 -17.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.284 11.369 -16.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.962 11.118 -17.539 1.00 0.00 H new ATOM 2019 N LYS A 64 9.287 18.459 -16.174 1.00 0.00 N ATOM 2020 CA LYS A 64 8.856 19.871 -16.008 1.00 0.00 C ATOM 2021 C LYS A 64 7.407 20.010 -16.475 1.00 0.00 C ATOM 2022 O LYS A 64 7.003 19.415 -17.456 1.00 0.00 O ATOM 2023 CB LYS A 64 9.761 20.779 -16.837 1.00 0.00 C ATOM 2024 CG LYS A 64 11.160 20.790 -16.223 1.00 0.00 C ATOM 2025 CD LYS A 64 12.058 21.699 -17.056 1.00 0.00 C ATOM 2026 CE LYS A 64 13.465 21.728 -16.462 1.00 0.00 C ATOM 2027 NZ LYS A 64 14.297 22.685 -17.242 1.00 0.00 N ATOM 0 H LYS A 64 10.043 18.307 -16.841 1.00 0.00 H new ATOM 0 HA LYS A 64 8.927 20.160 -14.959 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.806 20.425 -17.867 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.355 21.790 -16.864 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.117 21.144 -15.193 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.568 19.779 -16.196 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.096 21.343 -18.085 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.645 22.707 -17.083 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.426 22.028 -15.415 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.908 20.732 -16.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.258 22.713 -16.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.341 22.378 -18.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.874 23.634 -17.191 1.00 0.00 H new ATOM 2041 N ARG A 65 6.619 20.780 -15.766 1.00 0.00 N ATOM 2042 CA ARG A 65 5.178 20.961 -16.133 1.00 0.00 C ATOM 2043 C ARG A 65 4.899 22.433 -16.452 1.00 0.00 C ATOM 2044 O ARG A 65 5.522 23.330 -15.918 1.00 0.00 O ATOM 2045 CB ARG A 65 4.307 20.521 -14.948 1.00 0.00 C ATOM 2046 CG ARG A 65 4.562 19.039 -14.608 1.00 0.00 C ATOM 2047 CD ARG A 65 3.985 18.118 -15.694 1.00 0.00 C ATOM 2048 NE ARG A 65 2.578 18.531 -16.015 1.00 0.00 N ATOM 2049 CZ ARG A 65 1.649 18.561 -15.099 1.00 0.00 C ATOM 2050 NH1 ARG A 65 1.873 18.058 -13.917 1.00 0.00 N ATOM 2051 NH2 ARG A 65 0.473 19.051 -15.384 1.00 0.00 N ATOM 0 H ARG A 65 6.916 21.297 -14.939 1.00 0.00 H new ATOM 0 HA ARG A 65 4.947 20.359 -17.012 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.525 21.142 -14.079 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.254 20.669 -15.189 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.633 18.864 -14.509 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.110 18.800 -13.645 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.602 18.167 -16.591 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.001 17.083 -15.352 1.00 0.00 H new ATOM 0 HE ARG A 65 2.342 18.794 -16.972 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.778 17.638 -13.704 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.143 18.084 -13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.283 19.409 -16.320 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.256 19.076 -14.671 1.00 0.00 H new ATOM 2065 N ARG A 66 3.964 22.680 -17.333 1.00 0.00 N ATOM 2066 CA ARG A 66 3.629 24.082 -17.712 1.00 0.00 C ATOM 2067 C ARG A 66 3.030 24.818 -16.511 1.00 0.00 C ATOM 2068 O ARG A 66 3.004 26.038 -16.541 1.00 0.00 O ATOM 2069 CB ARG A 66 2.619 24.068 -18.867 1.00 0.00 C ATOM 2070 CG ARG A 66 1.289 23.468 -18.396 1.00 0.00 C ATOM 2071 CD ARG A 66 0.362 23.275 -19.600 1.00 0.00 C ATOM 2072 NE ARG A 66 0.824 22.106 -20.400 1.00 0.00 N ATOM 2073 CZ ARG A 66 0.037 21.571 -21.293 1.00 0.00 C ATOM 2074 NH1 ARG A 66 -1.173 22.032 -21.461 1.00 0.00 N ATOM 2075 NH2 ARG A 66 0.458 20.568 -22.014 1.00 0.00 N ATOM 2076 OXT ARG A 66 2.606 24.150 -15.582 1.00 0.00 O ATOM 0 H ARG A 66 3.415 21.964 -17.809 1.00 0.00 H new ATOM 0 HA ARG A 66 4.536 24.598 -18.027 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.460 25.082 -19.234 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.015 23.486 -19.700 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.464 22.513 -17.901 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.820 24.125 -17.664 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.662 23.116 -19.262 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.358 24.173 -20.217 1.00 0.00 H new ATOM 0 HE ARG A 66 1.757 21.723 -20.249 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.505 22.812 -20.894 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.786 21.612 -22.160 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.401 20.203 -21.879 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.156 20.149 -22.712 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -11.877 3.072 1.975 1.00 0.00 ZN