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= -1.13 USER MOD Set 1.2: C 125 DT C7 :methyl 150:sc= -2.12 (180deg=-1.02) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot 17:sc= 0.917 USER MOD Single : A 1 LYS N :NH3+ -162:sc= 0.0595 (180deg=-0.464) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -169:sc= 0.894 USER MOD Single : A 8 SER OG : rot 76:sc= -0.104 USER MOD Single : A 9 ASN : amide:sc= -3.88! C(o=-3.9!,f=-2.9!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -130:sc= 0.574 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -153:sc= -0.134 (180deg=-1.02) USER MOD Single : A 29 ASN : amide:sc= -4.29! K(o=-4.3!,f=-1.2) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= -1.74 (180deg=-3.49!) USER MOD Single : A 38 HIS : no HE2:sc= -7.44! C(o=-7.4!,f=-12!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.0686! C(o=0.069!,f=-8.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 149:sc= -0.118 (180deg=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0332 (180deg=-0.346) USER MOD Single : A 52 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.99) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 55 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.2!) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 0.0991 (180deg=0.0446) 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+ 161:sc= -0.191 (180deg=-0.826) USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= -0.176 (180deg=-1.05) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 DG O5' : rot 180:sc= -0.0873 USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.245 (180deg=-0.86) USER MOD Single : B 103 DT C7 :methyl -30:sc= -1.1 (180deg=-1.59!) USER MOD Single : B 109 DT C7 :methyl 150:sc= -2.54! (180deg=-2.54!) USER MOD Single : B 115 DT C7 :methyl -30:sc= -1.41! (180deg=-1.63!) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.452 (180deg=-0.452) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 39:sc= 0.0483 USER MOD Single : C 119 DT C7 :methyl -30:sc= -1.22 (180deg=-1.33) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.36 (180deg=-0.36) USER MOD Single : C 122 DT C7 :methyl 150:sc= -0.942 (180deg=-0.942) USER MOD Single : C 123 DT C7 :methyl -30:sc= -1.41 (180deg=-3.81!) USER MOD Single : C 127 DT C7 :methyl 150:sc= -1.08 (180deg=-1.08) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 17.978 26.136 7.940 1.00 0.00 O ATOM 2 C5' DG B 101 18.396 25.925 9.291 1.00 0.00 C ATOM 3 C4' DG B 101 17.406 25.037 10.052 1.00 0.00 C ATOM 4 O4' DG B 101 16.171 25.752 10.282 1.00 0.00 O ATOM 5 C3' DG B 101 17.072 23.758 9.276 1.00 0.00 C ATOM 6 O3' DG B 101 17.206 22.607 10.120 1.00 0.00 O ATOM 7 C2' DG B 101 15.642 23.927 8.821 1.00 0.00 C ATOM 8 C1' DG B 101 15.074 25.114 9.593 1.00 0.00 C ATOM 9 N9 DG B 101 14.408 26.078 8.692 1.00 0.00 N ATOM 10 C8 DG B 101 14.871 26.646 7.538 1.00 0.00 C ATOM 11 N7 DG B 101 14.057 27.482 6.968 1.00 0.00 N ATOM 12 C5 DG B 101 12.950 27.474 7.811 1.00 0.00 C ATOM 13 C6 DG B 101 11.728 28.195 7.716 1.00 0.00 C ATOM 14 O6 DG B 101 11.382 28.998 6.853 1.00 0.00 O ATOM 15 N1 DG B 101 10.879 27.899 8.773 1.00 0.00 N ATOM 16 C2 DG B 101 11.162 27.019 9.797 1.00 0.00 C ATOM 17 N2 DG B 101 10.211 26.863 10.718 1.00 0.00 N ATOM 18 N3 DG B 101 12.309 26.340 9.891 1.00 0.00 N ATOM 19 C4 DG B 101 13.153 26.615 8.869 1.00 0.00 C ATOM 0 H5' DG B 101 18.490 26.885 9.798 1.00 0.00 H new ATOM 0 H5'' DG B 101 19.383 25.462 9.300 1.00 0.00 H new ATOM 0 H4' DG B 101 17.882 24.769 10.995 1.00 0.00 H new ATOM 0 H3' DG B 101 17.747 23.606 8.434 1.00 0.00 H new ATOM 0 H2' DG B 101 15.596 24.106 7.747 1.00 0.00 H new ATOM 0 H2'' DG B 101 15.064 23.024 9.018 1.00 0.00 H new ATOM 0 HO5' DG B 101 18.629 26.707 7.482 1.00 0.00 H new ATOM 0 H1' DG B 101 14.321 24.765 10.299 1.00 0.00 H new ATOM 0 H8 DG B 101 15.844 26.416 7.130 1.00 0.00 H new ATOM 0 H1 DG B 101 9.974 28.369 8.795 1.00 0.00 H new ATOM 0 H21 DG B 101 10.359 26.226 11.501 1.00 0.00 H new ATOM 0 H22 DG B 101 9.335 27.380 10.640 1.00 0.00 H new ATOM 32 P DT B 102 16.903 21.127 9.555 1.00 0.00 P ATOM 33 OP1 DT B 102 17.855 20.188 10.188 1.00 0.00 O ATOM 34 OP2 DT B 102 16.823 21.210 8.079 1.00 0.00 O ATOM 35 O5' DT B 102 15.423 20.808 10.121 1.00 0.00 O ATOM 36 C5' DT B 102 15.188 20.796 11.533 1.00 0.00 C ATOM 37 C4' DT B 102 13.729 20.477 11.897 1.00 0.00 C ATOM 38 O4' DT B 102 12.863 21.585 11.538 1.00 0.00 O ATOM 39 C3' DT B 102 13.194 19.224 11.188 1.00 0.00 C ATOM 40 O3' DT B 102 12.744 18.269 12.160 1.00 0.00 O ATOM 41 C2' DT B 102 12.033 19.689 10.345 1.00 0.00 C ATOM 42 C1' DT B 102 11.715 21.109 10.795 1.00 0.00 C ATOM 43 N1 DT B 102 11.401 22.008 9.644 1.00 0.00 N ATOM 44 C2 DT B 102 10.164 22.648 9.628 1.00 0.00 C ATOM 45 O2 DT B 102 9.338 22.490 10.524 1.00 0.00 O ATOM 46 N3 DT B 102 9.916 23.473 8.545 1.00 0.00 N ATOM 47 C4 DT B 102 10.780 23.711 7.492 1.00 0.00 C ATOM 48 O4 DT B 102 10.462 24.471 6.581 1.00 0.00 O ATOM 49 C5 DT B 102 12.037 23.004 7.587 1.00 0.00 C ATOM 50 C7 DT B 102 13.059 23.156 6.455 1.00 0.00 C ATOM 51 C6 DT B 102 12.304 22.195 8.639 1.00 0.00 C ATOM 0 H5' DT B 102 15.456 21.767 11.949 1.00 0.00 H new ATOM 0 H5'' DT B 102 15.842 20.059 11.998 1.00 0.00 H new ATOM 0 H4' DT B 102 13.724 20.301 12.973 1.00 0.00 H new ATOM 0 H3' DT B 102 13.962 18.745 10.582 1.00 0.00 H new ATOM 0 H2' DT B 102 12.289 19.666 9.286 1.00 0.00 H new ATOM 0 H2'' DT B 102 11.170 19.037 10.479 1.00 0.00 H new ATOM 0 H1' DT B 102 10.821 21.111 11.419 1.00 0.00 H new ATOM 0 H3 DT B 102 9.014 23.949 8.521 1.00 0.00 H new ATOM 0 H71 DT B 102 12.537 23.335 5.515 1.00 0.00 H new ATOM 0 H72 DT B 102 13.718 23.997 6.670 1.00 0.00 H new ATOM 0 H73 DT B 102 13.650 22.244 6.373 1.00 0.00 H new ATOM 0 H6 DT B 102 13.255 21.685 8.684 1.00 0.00 H new ATOM 64 P DT B 103 12.126 16.845 11.720 1.00 0.00 P ATOM 65 OP1 DT B 103 12.342 15.886 12.825 1.00 0.00 O ATOM 66 OP2 DT B 103 12.614 16.526 10.360 1.00 0.00 O ATOM 67 O5' DT B 103 10.544 17.156 11.628 1.00 0.00 O ATOM 68 C5' DT B 103 9.837 17.607 12.788 1.00 0.00 C ATOM 69 C4' DT B 103 8.360 17.904 12.497 1.00 0.00 C ATOM 70 O4' DT B 103 8.239 19.078 11.665 1.00 0.00 O ATOM 71 C3' DT B 103 7.653 16.744 11.781 1.00 0.00 C ATOM 72 O3' DT B 103 6.565 16.274 12.575 1.00 0.00 O ATOM 73 C2' DT B 103 7.122 17.328 10.487 1.00 0.00 C ATOM 74 C1' DT B 103 7.290 18.840 10.606 1.00 0.00 C ATOM 75 N1 DT B 103 7.751 19.456 9.331 1.00 0.00 N ATOM 76 C2 DT B 103 6.958 20.438 8.753 1.00 0.00 C ATOM 77 O2 DT B 103 5.879 20.772 9.235 1.00 0.00 O ATOM 78 N3 DT B 103 7.449 21.018 7.598 1.00 0.00 N ATOM 79 C4 DT B 103 8.644 20.706 6.976 1.00 0.00 C ATOM 80 O4 DT B 103 8.991 21.294 5.957 1.00 0.00 O ATOM 81 C5 DT B 103 9.401 19.668 7.637 1.00 0.00 C ATOM 82 C7 DT B 103 10.732 19.219 7.022 1.00 0.00 C ATOM 83 C6 DT B 103 8.939 19.089 8.773 1.00 0.00 C ATOM 0 H5' DT B 103 10.316 18.507 13.175 1.00 0.00 H new ATOM 0 H5'' DT B 103 9.905 16.849 13.569 1.00 0.00 H new ATOM 0 H4' DT B 103 7.885 18.058 13.466 1.00 0.00 H new ATOM 0 H3' DT B 103 8.327 15.906 11.606 1.00 0.00 H new ATOM 0 H2' DT B 103 7.673 16.941 9.630 1.00 0.00 H new ATOM 0 H2'' DT B 103 6.075 17.062 10.340 1.00 0.00 H new ATOM 0 H1' DT B 103 6.328 19.302 10.830 1.00 0.00 H new ATOM 0 H3 DT B 103 6.877 21.743 7.165 1.00 0.00 H new ATOM 0 H71 DT B 103 10.693 19.343 5.940 1.00 0.00 H new ATOM 0 H72 DT B 103 11.543 19.824 7.427 1.00 0.00 H new ATOM 0 H73 DT B 103 10.908 18.170 7.261 1.00 0.00 H new ATOM 0 H6 DT B 103 9.527 18.318 9.247 1.00 0.00 H new ATOM 96 P DG B 104 5.706 14.987 12.139 1.00 0.00 P ATOM 97 OP1 DG B 104 5.086 14.412 13.354 1.00 0.00 O ATOM 98 OP2 DG B 104 6.551 14.140 11.268 1.00 0.00 O ATOM 99 O5' DG B 104 4.537 15.637 11.238 1.00 0.00 O ATOM 100 C5' DG B 104 3.643 16.599 11.799 1.00 0.00 C ATOM 101 C4' DG B 104 2.609 17.092 10.778 1.00 0.00 C ATOM 102 O4' DG B 104 3.252 17.885 9.747 1.00 0.00 O ATOM 103 C3' DG B 104 1.881 15.929 10.093 1.00 0.00 C ATOM 104 O3' DG B 104 0.468 16.041 10.288 1.00 0.00 O ATOM 105 C2' DG B 104 2.186 16.063 8.623 1.00 0.00 C ATOM 106 C1' DG B 104 2.923 17.377 8.433 1.00 0.00 C ATOM 107 N9 DG B 104 4.139 17.198 7.606 1.00 0.00 N ATOM 108 C8 DG B 104 5.199 16.359 7.801 1.00 0.00 C ATOM 109 N7 DG B 104 6.134 16.431 6.901 1.00 0.00 N ATOM 110 C5 DG B 104 5.660 17.403 6.021 1.00 0.00 C ATOM 111 C6 DG B 104 6.246 17.919 4.832 1.00 0.00 C ATOM 112 O6 DG B 104 7.319 17.612 4.315 1.00 0.00 O ATOM 113 N1 DG B 104 5.440 18.885 4.242 1.00 0.00 N ATOM 114 C2 DG B 104 4.221 19.306 4.731 1.00 0.00 C ATOM 115 N2 DG B 104 3.589 20.242 4.017 1.00 0.00 N ATOM 116 N3 DG B 104 3.666 18.825 5.852 1.00 0.00 N ATOM 117 C4 DG B 104 4.438 17.879 6.443 1.00 0.00 C ATOM 0 H5' DG B 104 4.214 17.448 12.174 1.00 0.00 H new ATOM 0 H5'' DG B 104 3.127 16.159 12.653 1.00 0.00 H new ATOM 0 H4' DG B 104 1.886 17.692 11.331 1.00 0.00 H new ATOM 0 H3' DG B 104 2.203 14.970 10.499 1.00 0.00 H new ATOM 0 H2' DG B 104 2.796 15.227 8.279 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.267 16.050 8.037 1.00 0.00 H new ATOM 0 H1' DG B 104 2.292 18.089 7.900 1.00 0.00 H new ATOM 0 H8 DG B 104 5.256 15.684 8.642 1.00 0.00 H new ATOM 0 H1 DG B 104 5.776 19.316 3.381 1.00 0.00 H new ATOM 0 H21 DG B 104 2.683 20.595 4.327 1.00 0.00 H new ATOM 0 H22 DG B 104 4.012 20.604 3.162 1.00 0.00 H new ATOM 129 P DC B 105 -0.536 14.906 9.735 1.00 0.00 P ATOM 130 OP1 DC B 105 -1.773 14.960 10.547 1.00 0.00 O ATOM 131 OP2 DC B 105 0.214 13.637 9.621 1.00 0.00 O ATOM 132 O5' DC B 105 -0.893 15.422 8.246 1.00 0.00 O ATOM 133 C5' DC B 105 -1.520 16.690 8.054 1.00 0.00 C ATOM 134 C4' DC B 105 -1.779 17.007 6.574 1.00 0.00 C ATOM 135 O4' DC B 105 -0.538 17.285 5.873 1.00 0.00 O ATOM 136 C3' DC B 105 -2.482 15.862 5.836 1.00 0.00 C ATOM 137 O3' DC B 105 -3.659 16.383 5.211 1.00 0.00 O ATOM 138 C2' DC B 105 -1.495 15.378 4.798 1.00 0.00 C ATOM 139 C1' DC B 105 -0.437 16.467 4.682 1.00 0.00 C ATOM 140 N1 DC B 105 0.942 15.914 4.538 1.00 0.00 N ATOM 141 C2 DC B 105 1.687 16.268 3.414 1.00 0.00 C ATOM 142 O2 DC B 105 1.192 16.989 2.550 1.00 0.00 O ATOM 143 N3 DC B 105 2.962 15.801 3.306 1.00 0.00 N ATOM 144 C4 DC B 105 3.491 15.019 4.259 1.00 0.00 C ATOM 145 N4 DC B 105 4.736 14.565 4.119 1.00 0.00 N ATOM 146 C5 DC B 105 2.731 14.655 5.413 1.00 0.00 C ATOM 147 C6 DC B 105 1.470 15.121 5.505 1.00 0.00 C ATOM 0 H5' DC B 105 -0.891 17.470 8.483 1.00 0.00 H new ATOM 0 H5'' DC B 105 -2.466 16.709 8.596 1.00 0.00 H new ATOM 0 H4' DC B 105 -2.428 17.883 6.574 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.779 15.048 6.497 1.00 0.00 H new ATOM 0 H2' DC B 105 -1.048 14.430 5.098 1.00 0.00 H new ATOM 0 H2'' DC B 105 -1.988 15.209 3.840 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.616 17.053 3.780 1.00 0.00 H new ATOM 0 H41 DC B 105 5.146 13.970 4.839 1.00 0.00 H new ATOM 0 H42 DC B 105 5.279 14.813 3.292 1.00 0.00 H new ATOM 0 H5 DC B 105 3.153 14.028 6.185 1.00 0.00 H new ATOM 0 H6 DC B 105 0.869 14.859 6.363 1.00 0.00 H new ATOM 159 P DA B 106 -4.668 15.484 4.339 1.00 0.00 P ATOM 160 OP1 DA B 106 -6.039 16.008 4.534 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.379 14.058 4.611 1.00 0.00 O ATOM 162 O5' DA B 106 -4.218 15.812 2.824 1.00 0.00 O ATOM 163 C5' DA B 106 -4.285 17.161 2.347 1.00 0.00 C ATOM 164 C4' DA B 106 -3.823 17.299 0.890 1.00 0.00 C ATOM 165 O4' DA B 106 -2.404 17.035 0.756 1.00 0.00 O ATOM 166 C3' DA B 106 -4.572 16.331 -0.029 1.00 0.00 C ATOM 167 O3' DA B 106 -5.208 17.055 -1.077 1.00 0.00 O ATOM 168 C2' DA B 106 -3.518 15.412 -0.611 1.00 0.00 C ATOM 169 C1' DA B 106 -2.166 15.992 -0.222 1.00 0.00 C ATOM 170 N9 DA B 106 -1.294 14.959 0.343 1.00 0.00 N ATOM 171 C8 DA B 106 -1.517 14.212 1.436 1.00 0.00 C ATOM 172 N7 DA B 106 -0.539 13.437 1.794 1.00 0.00 N ATOM 173 C5 DA B 106 0.429 13.694 0.824 1.00 0.00 C ATOM 174 C6 DA B 106 1.716 13.191 0.613 1.00 0.00 C ATOM 175 N6 DA B 106 2.300 12.315 1.431 1.00 0.00 N ATOM 176 N1 DA B 106 2.393 13.649 -0.453 1.00 0.00 N ATOM 177 C2 DA B 106 1.839 14.551 -1.261 1.00 0.00 C ATOM 178 N3 DA B 106 0.631 15.100 -1.147 1.00 0.00 N ATOM 179 C4 DA B 106 -0.026 14.618 -0.071 1.00 0.00 C ATOM 0 H5' DA B 106 -3.668 17.797 2.981 1.00 0.00 H new ATOM 0 H5'' DA B 106 -5.310 17.522 2.434 1.00 0.00 H new ATOM 0 H4' DA B 106 -4.037 18.327 0.598 1.00 0.00 H new ATOM 0 H3' DA B 106 -5.339 15.776 0.511 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.631 14.400 -0.223 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.615 15.350 -1.695 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.665 16.393 -1.103 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.448 14.253 1.981 1.00 0.00 H new ATOM 0 H61 DA B 106 3.242 11.980 1.230 1.00 0.00 H new ATOM 0 H62 DA B 106 1.805 11.980 2.257 1.00 0.00 H new ATOM 0 H2 DA B 106 2.435 14.873 -2.102 1.00 0.00 H new ATOM 191 P DG B 107 -6.081 16.289 -2.181 1.00 0.00 P ATOM 192 OP1 DG B 107 -7.001 17.268 -2.803 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.611 15.045 -1.583 1.00 0.00 O ATOM 194 O5' DG B 107 -4.956 15.905 -3.257 1.00 0.00 O ATOM 195 C5' DG B 107 -4.201 16.934 -3.887 1.00 0.00 C ATOM 196 C4' DG B 107 -3.143 16.364 -4.826 1.00 0.00 C ATOM 197 O4' DG B 107 -2.069 15.723 -4.088 1.00 0.00 O ATOM 198 C3' DG B 107 -3.730 15.325 -5.786 1.00 0.00 C ATOM 199 O3' DG B 107 -3.535 15.755 -7.134 1.00 0.00 O ATOM 200 C2' DG B 107 -2.974 14.054 -5.512 1.00 0.00 C ATOM 201 C1' DG B 107 -1.759 14.455 -4.705 1.00 0.00 C ATOM 202 N9 DG B 107 -1.384 13.420 -3.710 1.00 0.00 N ATOM 203 C8 DG B 107 -2.091 12.917 -2.644 1.00 0.00 C ATOM 204 N7 DG B 107 -1.472 12.026 -1.950 1.00 0.00 N ATOM 205 C5 DG B 107 -0.247 11.911 -2.585 1.00 0.00 C ATOM 206 C6 DG B 107 0.851 11.082 -2.267 1.00 0.00 C ATOM 207 O6 DG B 107 0.946 10.280 -1.348 1.00 0.00 O ATOM 208 N1 DG B 107 1.901 11.262 -3.154 1.00 0.00 N ATOM 209 C2 DG B 107 1.896 12.133 -4.220 1.00 0.00 C ATOM 210 N2 DG B 107 3.004 12.160 -4.962 1.00 0.00 N ATOM 211 N3 DG B 107 0.857 12.922 -4.524 1.00 0.00 N ATOM 212 C4 DG B 107 -0.178 12.757 -3.664 1.00 0.00 C ATOM 0 H5' DG B 107 -3.719 17.549 -3.127 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.871 17.586 -4.447 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.759 17.213 -5.392 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.802 15.184 -5.645 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.591 13.344 -4.961 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.681 13.567 -6.442 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.885 14.551 -5.349 1.00 0.00 H new ATOM 0 H8 DG B 107 -3.092 13.245 -2.406 1.00 0.00 H new ATOM 0 H1 DG B 107 2.743 10.706 -3.005 1.00 0.00 H new ATOM 0 H21 DG B 107 3.064 12.784 -5.767 1.00 0.00 H new ATOM 0 H22 DG B 107 3.791 11.556 -4.725 1.00 0.00 H new ATOM 224 P DA B 108 -4.041 14.882 -8.385 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.473 15.808 -9.457 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.975 13.849 -7.882 1.00 0.00 O ATOM 227 O5' DA B 108 -2.692 14.143 -8.872 1.00 0.00 O ATOM 228 C5' DA B 108 -1.573 14.935 -9.290 1.00 0.00 C ATOM 229 C4' DA B 108 -0.369 14.089 -9.726 1.00 0.00 C ATOM 230 O4' DA B 108 0.261 13.427 -8.597 1.00 0.00 O ATOM 231 C3' DA B 108 -0.787 13.009 -10.729 1.00 0.00 C ATOM 232 O3' DA B 108 0.047 13.080 -11.888 1.00 0.00 O ATOM 233 C2' DA B 108 -0.581 11.700 -10.008 1.00 0.00 C ATOM 234 C1' DA B 108 0.314 11.998 -8.821 1.00 0.00 C ATOM 235 N9 DA B 108 -0.118 11.262 -7.615 1.00 0.00 N ATOM 236 C8 DA B 108 -1.328 11.290 -6.988 1.00 0.00 C ATOM 237 N7 DA B 108 -1.391 10.634 -5.874 1.00 0.00 N ATOM 238 C5 DA B 108 -0.111 10.109 -5.747 1.00 0.00 C ATOM 239 C6 DA B 108 0.476 9.305 -4.773 1.00 0.00 C ATOM 240 N6 DA B 108 -0.163 8.930 -3.671 1.00 0.00 N ATOM 241 N1 DA B 108 1.756 8.947 -4.950 1.00 0.00 N ATOM 242 C2 DA B 108 2.426 9.362 -6.023 1.00 0.00 C ATOM 243 N3 DA B 108 1.967 10.139 -7.007 1.00 0.00 N ATOM 244 C4 DA B 108 0.675 10.477 -6.801 1.00 0.00 C ATOM 0 H5' DA B 108 -1.273 15.590 -8.472 1.00 0.00 H new ATOM 0 H5'' DA B 108 -1.878 15.577 -10.117 1.00 0.00 H new ATOM 0 H4' DA B 108 0.337 14.779 -10.187 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.818 13.126 -11.063 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.534 11.283 -9.681 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.120 10.963 -10.666 1.00 0.00 H new ATOM 0 H1' DA B 108 1.333 11.674 -9.030 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.176 11.823 -7.393 1.00 0.00 H new ATOM 0 H61 DA B 108 0.307 8.340 -2.985 1.00 0.00 H new ATOM 0 H62 DA B 108 -1.124 9.232 -3.511 1.00 0.00 H new ATOM 0 H2 DA B 108 3.452 9.035 -6.107 1.00 0.00 H new ATOM 256 P DT B 109 -0.139 12.075 -13.130 1.00 0.00 P ATOM 257 OP1 DT B 109 0.197 12.806 -14.373 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.453 11.405 -12.999 1.00 0.00 O ATOM 259 O5' DT B 109 1.014 10.984 -12.859 1.00 0.00 O ATOM 260 C5' DT B 109 2.379 11.403 -12.806 1.00 0.00 C ATOM 261 C4' DT B 109 3.335 10.237 -12.540 1.00 0.00 C ATOM 262 O4' DT B 109 3.155 9.726 -11.196 1.00 0.00 O ATOM 263 C3' DT B 109 3.117 9.079 -13.523 1.00 0.00 C ATOM 264 O3' DT B 109 4.312 8.832 -14.264 1.00 0.00 O ATOM 265 C2' DT B 109 2.785 7.873 -12.672 1.00 0.00 C ATOM 266 C1' DT B 109 2.977 8.292 -11.218 1.00 0.00 C ATOM 267 N1 DT B 109 1.813 7.890 -10.384 1.00 0.00 N ATOM 268 C2 DT B 109 2.027 7.033 -9.312 1.00 0.00 C ATOM 269 O2 DT B 109 3.140 6.587 -9.043 1.00 0.00 O ATOM 270 N3 DT B 109 0.914 6.714 -8.558 1.00 0.00 N ATOM 271 C4 DT B 109 -0.375 7.173 -8.775 1.00 0.00 C ATOM 272 O4 DT B 109 -1.298 6.815 -8.050 1.00 0.00 O ATOM 273 C5 DT B 109 -0.503 8.060 -9.905 1.00 0.00 C ATOM 274 C7 DT B 109 -1.876 8.666 -10.215 1.00 0.00 C ATOM 275 C6 DT B 109 0.575 8.379 -10.661 1.00 0.00 C ATOM 0 H5' DT B 109 2.497 12.152 -12.023 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.647 11.882 -13.748 1.00 0.00 H new ATOM 0 H4' DT B 109 4.344 10.629 -12.668 1.00 0.00 H new ATOM 0 H3' DT B 109 2.324 9.304 -14.237 1.00 0.00 H new ATOM 0 H2' DT B 109 1.760 7.546 -12.848 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.434 7.034 -12.921 1.00 0.00 H new ATOM 0 H1' DT B 109 3.851 7.794 -10.798 1.00 0.00 H new ATOM 0 H3 DT B 109 1.054 6.083 -7.769 1.00 0.00 H new ATOM 0 H71 DT B 109 -1.746 9.642 -10.683 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.419 8.008 -10.893 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.441 8.780 -9.290 1.00 0.00 H new ATOM 0 H6 DT B 109 0.448 9.039 -11.506 1.00 0.00 H new ATOM 288 P DA B 110 4.341 7.767 -15.470 1.00 0.00 P ATOM 289 OP1 DA B 110 5.483 8.094 -16.353 1.00 0.00 O ATOM 290 OP2 DA B 110 2.976 7.666 -16.033 1.00 0.00 O ATOM 291 O5' DA B 110 4.673 6.397 -14.702 1.00 0.00 O ATOM 292 C5' DA B 110 5.883 6.275 -13.958 1.00 0.00 C ATOM 293 C4' DA B 110 5.999 4.912 -13.279 1.00 0.00 C ATOM 294 O4' DA B 110 4.963 4.768 -12.267 1.00 0.00 O ATOM 295 C3' DA B 110 5.834 3.759 -14.271 1.00 0.00 C ATOM 296 O3' DA B 110 6.930 2.857 -14.128 1.00 0.00 O ATOM 297 C2' DA B 110 4.539 3.073 -13.910 1.00 0.00 C ATOM 298 C1' DA B 110 4.079 3.661 -12.587 1.00 0.00 C ATOM 299 N9 DA B 110 2.665 4.103 -12.658 1.00 0.00 N ATOM 300 C8 DA B 110 2.062 4.921 -13.573 1.00 0.00 C ATOM 301 N7 DA B 110 0.796 5.136 -13.371 1.00 0.00 N ATOM 302 C5 DA B 110 0.529 4.401 -12.219 1.00 0.00 C ATOM 303 C6 DA B 110 -0.641 4.207 -11.473 1.00 0.00 C ATOM 304 N6 DA B 110 -1.803 4.781 -11.785 1.00 0.00 N ATOM 305 N1 DA B 110 -0.562 3.417 -10.386 1.00 0.00 N ATOM 306 C2 DA B 110 0.600 2.852 -10.054 1.00 0.00 C ATOM 307 N3 DA B 110 1.766 2.972 -10.690 1.00 0.00 N ATOM 308 C4 DA B 110 1.656 3.769 -11.776 1.00 0.00 C ATOM 0 H5' DA B 110 5.926 7.061 -13.204 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.734 6.423 -14.622 1.00 0.00 H new ATOM 0 H4' DA B 110 6.994 4.868 -12.837 1.00 0.00 H new ATOM 0 H3' DA B 110 5.815 4.107 -15.304 1.00 0.00 H new ATOM 0 H2' DA B 110 3.789 3.233 -14.685 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.684 1.996 -13.824 1.00 0.00 H new ATOM 0 H1' DA B 110 4.126 2.905 -11.803 1.00 0.00 H new ATOM 0 H8 DA B 110 2.598 5.357 -14.403 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.628 4.608 -11.210 1.00 0.00 H new ATOM 0 H62 DA B 110 -1.867 5.393 -12.599 1.00 0.00 H new ATOM 0 H2 DA B 110 0.596 2.228 -9.172 1.00 0.00 H new ATOM 320 P DA B 111 7.055 1.534 -15.030 1.00 0.00 P ATOM 321 OP1 DA B 111 8.480 1.141 -15.088 1.00 0.00 O ATOM 322 OP2 DA B 111 6.290 1.745 -16.280 1.00 0.00 O ATOM 323 O5' DA B 111 6.269 0.460 -14.128 1.00 0.00 O ATOM 324 C5' DA B 111 6.742 0.184 -12.809 1.00 0.00 C ATOM 325 C4' DA B 111 5.850 -0.810 -12.065 1.00 0.00 C ATOM 326 O4' DA B 111 4.585 -0.190 -11.733 1.00 0.00 O ATOM 327 C3' DA B 111 5.560 -2.067 -12.895 1.00 0.00 C ATOM 328 O3' DA B 111 6.092 -3.218 -12.243 1.00 0.00 O ATOM 329 C2' DA B 111 4.053 -2.176 -12.954 1.00 0.00 C ATOM 330 C1' DA B 111 3.494 -1.068 -12.073 1.00 0.00 C ATOM 331 N9 DA B 111 2.415 -0.344 -12.773 1.00 0.00 N ATOM 332 C8 DA B 111 2.449 0.301 -13.974 1.00 0.00 C ATOM 333 N7 DA B 111 1.318 0.815 -14.357 1.00 0.00 N ATOM 334 C5 DA B 111 0.454 0.482 -13.316 1.00 0.00 C ATOM 335 C6 DA B 111 -0.905 0.728 -13.095 1.00 0.00 C ATOM 336 N6 DA B 111 -1.674 1.396 -13.955 1.00 0.00 N ATOM 337 N1 DA B 111 -1.442 0.256 -11.958 1.00 0.00 N ATOM 338 C2 DA B 111 -0.688 -0.419 -11.089 1.00 0.00 C ATOM 339 N3 DA B 111 0.604 -0.706 -11.201 1.00 0.00 N ATOM 340 C4 DA B 111 1.114 -0.221 -12.348 1.00 0.00 C ATOM 0 H5' DA B 111 6.795 1.114 -12.243 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.755 -0.213 -12.865 1.00 0.00 H new ATOM 0 H4' DA B 111 6.391 -1.102 -11.165 1.00 0.00 H new ATOM 0 H3' DA B 111 6.009 -2.005 -13.886 1.00 0.00 H new ATOM 0 H2' DA B 111 3.698 -2.070 -13.979 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.723 -3.153 -12.602 1.00 0.00 H new ATOM 0 H1' DA B 111 3.057 -1.481 -11.164 1.00 0.00 H new ATOM 0 H8 DA B 111 3.350 0.379 -14.564 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.661 1.548 -13.745 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.276 1.755 -14.823 1.00 0.00 H new ATOM 0 H2 DA B 111 -1.183 -0.771 -10.196 1.00 0.00 H new ATOM 352 P DA B 112 5.944 -4.690 -12.879 1.00 0.00 P ATOM 353 OP1 DA B 112 7.038 -5.539 -12.354 1.00 0.00 O ATOM 354 OP2 DA B 112 5.761 -4.543 -14.340 1.00 0.00 O ATOM 355 O5' DA B 112 4.555 -5.203 -12.251 1.00 0.00 O ATOM 356 C5' DA B 112 4.398 -5.311 -10.837 1.00 0.00 C ATOM 357 C4' DA B 112 3.004 -5.815 -10.456 1.00 0.00 C ATOM 358 O4' DA B 112 2.018 -4.806 -10.800 1.00 0.00 O ATOM 359 C3' DA B 112 2.624 -7.098 -11.209 1.00 0.00 C ATOM 360 O3' DA B 112 2.076 -8.059 -10.296 1.00 0.00 O ATOM 361 C2' DA B 112 1.586 -6.684 -12.216 1.00 0.00 C ATOM 362 C1' DA B 112 1.064 -5.330 -11.758 1.00 0.00 C ATOM 363 N9 DA B 112 0.872 -4.411 -12.906 1.00 0.00 N ATOM 364 C8 DA B 112 1.712 -4.126 -13.950 1.00 0.00 C ATOM 365 N7 DA B 112 1.236 -3.299 -14.829 1.00 0.00 N ATOM 366 C5 DA B 112 -0.031 -3.006 -14.334 1.00 0.00 C ATOM 367 C6 DA B 112 -1.060 -2.187 -14.803 1.00 0.00 C ATOM 368 N6 DA B 112 -0.966 -1.472 -15.923 1.00 0.00 N ATOM 369 N1 DA B 112 -2.186 -2.128 -14.072 1.00 0.00 N ATOM 370 C2 DA B 112 -2.292 -2.834 -12.946 1.00 0.00 C ATOM 371 N3 DA B 112 -1.379 -3.639 -12.414 1.00 0.00 N ATOM 372 C4 DA B 112 -0.262 -3.678 -13.167 1.00 0.00 C ATOM 0 H5' DA B 112 4.571 -4.338 -10.377 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.151 -5.990 -10.439 1.00 0.00 H new ATOM 0 H4' DA B 112 3.021 -6.022 -9.386 1.00 0.00 H new ATOM 0 H3' DA B 112 3.487 -7.560 -11.688 1.00 0.00 H new ATOM 0 H2' DA B 112 2.018 -6.617 -13.215 1.00 0.00 H new ATOM 0 H2'' DA B 112 0.779 -7.415 -12.266 1.00 0.00 H new ATOM 0 H1' DA B 112 0.084 -5.433 -11.292 1.00 0.00 H new ATOM 0 H8 DA B 112 2.698 -4.558 -14.035 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.747 -0.889 -16.223 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.113 -1.508 -16.481 1.00 0.00 H new ATOM 0 H2 DA B 112 -3.223 -2.741 -12.407 1.00 0.00 H new ATOM 384 P DC B 113 1.580 -9.513 -10.790 1.00 0.00 P ATOM 385 OP1 DC B 113 1.870 -10.490 -9.717 1.00 0.00 O ATOM 386 OP2 DC B 113 2.115 -9.739 -12.152 1.00 0.00 O ATOM 387 O5' DC B 113 -0.025 -9.351 -10.902 1.00 0.00 O ATOM 388 C5' DC B 113 -0.784 -9.000 -9.737 1.00 0.00 C ATOM 389 C4' DC B 113 -2.295 -8.885 -10.011 1.00 0.00 C ATOM 390 O4' DC B 113 -2.593 -7.724 -10.825 1.00 0.00 O ATOM 391 C3' DC B 113 -2.854 -10.114 -10.736 1.00 0.00 C ATOM 392 O3' DC B 113 -3.930 -10.671 -9.974 1.00 0.00 O ATOM 393 C2' DC B 113 -3.366 -9.619 -12.066 1.00 0.00 C ATOM 394 C1' DC B 113 -3.366 -8.103 -11.993 1.00 0.00 C ATOM 395 N1 DC B 113 -2.785 -7.484 -13.212 1.00 0.00 N ATOM 396 C2 DC B 113 -3.565 -6.586 -13.936 1.00 0.00 C ATOM 397 O2 DC B 113 -4.736 -6.394 -13.616 1.00 0.00 O ATOM 398 N3 DC B 113 -3.000 -5.939 -14.987 1.00 0.00 N ATOM 399 C4 DC B 113 -1.722 -6.154 -15.321 1.00 0.00 C ATOM 400 N4 DC B 113 -1.204 -5.490 -16.354 1.00 0.00 N ATOM 401 C5 DC B 113 -0.915 -7.080 -14.582 1.00 0.00 C ATOM 402 C6 DC B 113 -1.494 -7.722 -13.547 1.00 0.00 C ATOM 0 H5' DC B 113 -0.419 -8.051 -9.345 1.00 0.00 H new ATOM 0 H5'' DC B 113 -0.617 -9.749 -8.963 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.765 -8.799 -9.031 1.00 0.00 H new ATOM 0 H3' DC B 113 -2.096 -10.887 -10.865 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.731 -9.968 -12.880 1.00 0.00 H new ATOM 0 H2'' DC B 113 -4.369 -9.998 -12.260 1.00 0.00 H new ATOM 0 H1' DC B 113 -4.393 -7.746 -11.922 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.232 -5.642 -16.622 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.780 -4.830 -16.876 1.00 0.00 H new ATOM 0 H5 DC B 113 0.118 -7.257 -14.844 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.920 -8.437 -12.976 1.00 0.00 H new ATOM 414 P DA B 114 -4.717 -11.976 -10.486 1.00 0.00 P ATOM 415 OP1 DA B 114 -5.313 -12.648 -9.310 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.824 -12.728 -11.394 1.00 0.00 O ATOM 417 O5' DA B 114 -5.913 -11.343 -11.368 1.00 0.00 O ATOM 418 C5' DA B 114 -6.864 -10.457 -10.764 1.00 0.00 C ATOM 419 C4' DA B 114 -7.919 -9.965 -11.766 1.00 0.00 C ATOM 420 O4' DA B 114 -7.346 -9.035 -12.722 1.00 0.00 O ATOM 421 C3' DA B 114 -8.542 -11.128 -12.545 1.00 0.00 C ATOM 422 O3' DA B 114 -9.958 -11.151 -12.357 1.00 0.00 O ATOM 423 C2' DA B 114 -8.223 -10.854 -13.999 1.00 0.00 C ATOM 424 C1' DA B 114 -7.663 -9.441 -14.074 1.00 0.00 C ATOM 425 N9 DA B 114 -6.469 -9.367 -14.938 1.00 0.00 N ATOM 426 C8 DA B 114 -5.321 -10.072 -14.841 1.00 0.00 C ATOM 427 N7 DA B 114 -4.402 -9.773 -15.711 1.00 0.00 N ATOM 428 C5 DA B 114 -5.001 -8.766 -16.465 1.00 0.00 C ATOM 429 C6 DA B 114 -4.561 -8.006 -17.557 1.00 0.00 C ATOM 430 N6 DA B 114 -3.350 -8.138 -18.100 1.00 0.00 N ATOM 431 N1 DA B 114 -5.409 -7.099 -18.061 1.00 0.00 N ATOM 432 C2 DA B 114 -6.619 -6.941 -17.531 1.00 0.00 C ATOM 433 N3 DA B 114 -7.138 -7.603 -16.495 1.00 0.00 N ATOM 434 C4 DA B 114 -6.264 -8.511 -16.005 1.00 0.00 C ATOM 0 H5' DA B 114 -6.341 -9.600 -10.340 1.00 0.00 H new ATOM 0 H5'' DA B 114 -7.360 -10.968 -9.939 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.689 -9.465 -11.179 1.00 0.00 H new ATOM 0 H3' DA B 114 -8.153 -12.090 -12.211 1.00 0.00 H new ATOM 0 H2' DA B 114 -7.499 -11.576 -14.378 1.00 0.00 H new ATOM 0 H2'' DA B 114 -9.118 -10.947 -14.614 1.00 0.00 H new ATOM 0 H1' DA B 114 -8.401 -8.773 -14.519 1.00 0.00 H new ATOM 0 H8 DA B 114 -5.176 -10.834 -14.090 1.00 0.00 H new ATOM 0 H61 DA B 114 -3.082 -7.558 -18.895 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.692 -8.819 -17.720 1.00 0.00 H new ATOM 0 H2 DA B 114 -7.251 -6.195 -17.990 1.00 0.00 H new ATOM 446 P DT B 115 -10.874 -12.273 -13.062 1.00 0.00 P ATOM 447 OP1 DT B 115 -12.117 -12.420 -12.272 1.00 0.00 O ATOM 448 OP2 DT B 115 -10.031 -13.456 -13.340 1.00 0.00 O ATOM 449 O5' DT B 115 -11.249 -11.573 -14.464 1.00 0.00 O ATOM 450 C5' DT B 115 -11.959 -10.335 -14.463 1.00 0.00 C ATOM 451 C4' DT B 115 -12.103 -9.735 -15.868 1.00 0.00 C ATOM 452 O4' DT B 115 -10.823 -9.259 -16.354 1.00 0.00 O ATOM 453 C3' DT B 115 -12.642 -10.752 -16.886 1.00 0.00 C ATOM 454 O3' DT B 115 -13.929 -10.356 -17.354 1.00 0.00 O ATOM 455 C2' DT B 115 -11.668 -10.730 -18.043 1.00 0.00 C ATOM 456 C1' DT B 115 -10.640 -9.648 -17.732 1.00 0.00 C ATOM 457 N1 DT B 115 -9.257 -10.137 -17.982 1.00 0.00 N ATOM 458 C2 DT B 115 -8.476 -9.470 -18.915 1.00 0.00 C ATOM 459 O2 DT B 115 -8.893 -8.498 -19.539 1.00 0.00 O ATOM 460 N3 DT B 115 -7.198 -9.963 -19.103 1.00 0.00 N ATOM 461 C4 DT B 115 -6.637 -11.045 -18.450 1.00 0.00 C ATOM 462 O4 DT B 115 -5.486 -11.401 -18.703 1.00 0.00 O ATOM 463 C5 DT B 115 -7.520 -11.677 -17.493 1.00 0.00 C ATOM 464 C7 DT B 115 -7.009 -12.875 -16.683 1.00 0.00 C ATOM 465 C6 DT B 115 -8.776 -11.211 -17.299 1.00 0.00 C ATOM 0 H5' DT B 115 -11.441 -9.624 -13.820 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.949 -10.489 -14.035 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.813 -8.913 -15.775 1.00 0.00 H new ATOM 0 H3' DT B 115 -12.737 -11.742 -16.439 1.00 0.00 H new ATOM 0 H2' DT B 115 -11.185 -11.700 -18.160 1.00 0.00 H new ATOM 0 H2'' DT B 115 -12.184 -10.516 -18.979 1.00 0.00 H new ATOM 0 H1' DT B 115 -10.784 -8.787 -18.385 1.00 0.00 H new ATOM 0 H3 DT B 115 -6.614 -9.483 -19.788 1.00 0.00 H new ATOM 0 H71 DT B 115 -6.269 -13.421 -17.268 1.00 0.00 H new ATOM 0 H72 DT B 115 -6.552 -12.521 -15.759 1.00 0.00 H new ATOM 0 H73 DT B 115 -7.843 -13.536 -16.445 1.00 0.00 H new ATOM 0 H6 DT B 115 -9.414 -11.706 -16.582 1.00 0.00 H new ATOM 478 P DT B 116 -14.798 -11.334 -18.291 1.00 0.00 P ATOM 479 OP1 DT B 116 -16.214 -10.909 -18.214 1.00 0.00 O ATOM 480 OP2 DT B 116 -14.428 -12.731 -17.971 1.00 0.00 O ATOM 481 O5' DT B 116 -14.247 -10.991 -19.766 1.00 0.00 O ATOM 482 C5' DT B 116 -14.354 -9.666 -20.291 1.00 0.00 C ATOM 483 C4' DT B 116 -13.591 -9.511 -21.613 1.00 0.00 C ATOM 484 O4' DT B 116 -12.166 -9.627 -21.393 1.00 0.00 O ATOM 485 C3' DT B 116 -13.997 -10.573 -22.644 1.00 0.00 C ATOM 486 O3' DT B 116 -14.717 -9.975 -23.726 1.00 0.00 O ATOM 487 C2' DT B 116 -12.702 -11.179 -23.143 1.00 0.00 C ATOM 488 C1' DT B 116 -11.570 -10.490 -22.387 1.00 0.00 C ATOM 489 N1 DT B 116 -10.677 -11.495 -21.754 1.00 0.00 N ATOM 490 C2 DT B 116 -9.355 -11.558 -22.171 1.00 0.00 C ATOM 491 O2 DT B 116 -8.905 -10.801 -23.028 1.00 0.00 O ATOM 492 N3 DT B 116 -8.568 -12.514 -21.559 1.00 0.00 N ATOM 493 C4 DT B 116 -8.979 -13.404 -20.582 1.00 0.00 C ATOM 494 O4 DT B 116 -8.190 -14.217 -20.105 1.00 0.00 O ATOM 495 C5 DT B 116 -10.369 -13.270 -20.210 1.00 0.00 C ATOM 496 C7 DT B 116 -10.952 -14.217 -19.156 1.00 0.00 C ATOM 497 C6 DT B 116 -11.158 -12.337 -20.794 1.00 0.00 C ATOM 0 H5' DT B 116 -13.966 -8.954 -19.562 1.00 0.00 H new ATOM 0 H5'' DT B 116 -15.405 -9.421 -20.447 1.00 0.00 H new ATOM 0 H4' DT B 116 -13.843 -8.524 -22.000 1.00 0.00 H new ATOM 0 H3' DT B 116 -14.651 -11.326 -22.205 1.00 0.00 H new ATOM 0 H2' DT B 116 -12.686 -12.254 -22.966 1.00 0.00 H new ATOM 0 H2'' DT B 116 -12.595 -11.031 -24.218 1.00 0.00 H new ATOM 0 HO3' DT B 116 -14.966 -10.666 -24.375 1.00 0.00 H new ATOM 0 H1' DT B 116 -10.958 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ATOM 0 H2 DA C 117 -6.350 -10.626 -24.193 1.00 0.00 H new ATOM 542 P DA C 118 1.219 -7.686 -25.777 1.00 0.00 P ATOM 543 OP1 DA C 118 2.080 -7.218 -26.887 1.00 0.00 O ATOM 544 OP2 DA C 118 1.698 -7.574 -24.380 1.00 0.00 O ATOM 545 O5' DA C 118 -0.199 -6.929 -25.882 1.00 0.00 O ATOM 546 C5' DA C 118 -0.940 -6.957 -27.105 1.00 0.00 C ATOM 547 C4' DA C 118 -2.264 -6.188 -27.002 1.00 0.00 C ATOM 548 O4' DA C 118 -3.178 -6.887 -26.114 1.00 0.00 O ATOM 549 C3' DA C 118 -2.067 -4.787 -26.419 1.00 0.00 C ATOM 550 O3' DA C 118 -2.895 -3.842 -27.113 1.00 0.00 O ATOM 551 C2' DA C 118 -2.503 -4.884 -24.987 1.00 0.00 C ATOM 552 C1' DA C 118 -3.353 -6.134 -24.887 1.00 0.00 C ATOM 553 N9 DA C 118 -2.976 -6.937 -23.721 1.00 0.00 N ATOM 554 C8 DA C 118 -1.763 -7.453 -23.431 1.00 0.00 C ATOM 555 N7 DA C 118 -1.727 -8.240 -22.396 1.00 0.00 N ATOM 556 C5 DA C 118 -3.051 -8.237 -21.956 1.00 0.00 C ATOM 557 C6 DA C 118 -3.704 -8.872 -20.893 1.00 0.00 C ATOM 558 N6 DA C 118 -3.088 -9.708 -20.057 1.00 0.00 N ATOM 559 N1 DA C 118 -5.019 -8.638 -20.743 1.00 0.00 N ATOM 560 C2 DA C 118 -5.660 -7.830 -21.588 1.00 0.00 C ATOM 561 N3 DA C 118 -5.140 -7.187 -22.631 1.00 0.00 N ATOM 562 C4 DA C 118 -3.819 -7.440 -22.756 1.00 0.00 C ATOM 0 H5' DA C 118 -1.144 -7.992 -27.380 1.00 0.00 H new ATOM 0 H5'' DA C 118 -0.335 -6.528 -27.904 1.00 0.00 H new ATOM 0 H4' DA C 118 -2.661 -6.115 -28.015 1.00 0.00 H new ATOM 0 H3' DA C 118 -1.034 -4.453 -26.512 1.00 0.00 H new ATOM 0 H2' DA C 118 -1.642 -4.945 -24.321 1.00 0.00 H new ATOM 0 H2'' DA C 118 -3.072 -4.002 -24.693 1.00 0.00 H new ATOM 0 H1' DA C 118 -4.401 -5.864 -24.757 1.00 0.00 H new ATOM 0 H8 DA C 118 -0.884 -7.228 -24.017 1.00 0.00 H new ATOM 0 H61 DA C 118 -3.609 -10.146 -19.297 1.00 0.00 H new ATOM 0 H62 DA C 118 -2.095 -9.910 -20.177 1.00 0.00 H new ATOM 0 H2 DA C 118 -6.714 -7.681 -21.407 1.00 0.00 H new ATOM 574 P DT C 119 -2.901 -2.275 -26.718 1.00 0.00 P ATOM 575 OP1 DT C 119 -3.343 -1.505 -27.901 1.00 0.00 O ATOM 576 OP2 DT C 119 -1.611 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ATOM 612 O4' DG C 120 -9.207 -1.880 -19.861 1.00 0.00 O ATOM 613 C3' DG C 120 -10.199 0.283 -19.446 1.00 0.00 C ATOM 614 O3' DG C 120 -11.443 0.313 -18.747 1.00 0.00 O ATOM 615 C2' DG C 120 -9.086 0.040 -18.451 1.00 0.00 C ATOM 616 C1' DG C 120 -8.683 -1.422 -18.592 1.00 0.00 C ATOM 617 N9 DG C 120 -7.214 -1.604 -18.515 1.00 0.00 N ATOM 618 C8 DG C 120 -6.241 -0.962 -19.209 1.00 0.00 C ATOM 619 N7 DG C 120 -5.026 -1.350 -18.965 1.00 0.00 N ATOM 620 C5 DG C 120 -5.197 -2.346 -18.009 1.00 0.00 C ATOM 621 C6 DG C 120 -4.225 -3.147 -17.347 1.00 0.00 C ATOM 622 O6 DG C 120 -3.003 -3.140 -17.490 1.00 0.00 O ATOM 623 N1 DG C 120 -4.814 -4.026 -16.452 1.00 0.00 N ATOM 624 C2 DG C 120 -6.171 -4.131 -16.219 1.00 0.00 C ATOM 625 N2 DG C 120 -6.544 -5.032 -15.311 1.00 0.00 N ATOM 626 N3 DG C 120 -7.091 -3.381 -16.842 1.00 0.00 N ATOM 627 C4 DG C 120 -6.535 -2.512 -17.721 1.00 0.00 C ATOM 0 H5' DG C 120 -9.595 -1.396 -22.425 1.00 0.00 H new ATOM 0 H5'' DG C 120 -10.581 0.045 -22.281 1.00 0.00 H new ATOM 0 H4' DG C 120 -11.149 -1.356 -20.470 1.00 0.00 H new ATOM 0 H3' DG C 120 -10.090 1.225 -19.983 1.00 0.00 H new ATOM 0 H2' DG C 120 -8.239 0.696 -18.651 1.00 0.00 H new ATOM 0 H2'' DG C 120 -9.421 0.253 -17.436 1.00 0.00 H new ATOM 0 H1' DG C 120 -9.093 -2.007 -17.769 1.00 0.00 H new ATOM 0 H8 DG C 120 -6.463 -0.179 -19.919 1.00 0.00 H new ATOM 0 H1 DG C 120 -4.197 -4.643 -15.924 1.00 0.00 H new ATOM 0 H21 DG C 120 -7.533 -5.158 -15.094 1.00 0.00 H new ATOM 0 H22 DG C 120 -5.841 -5.596 -14.833 1.00 0.00 H new ATOM 639 P DT C 121 -11.755 1.475 -17.679 1.00 0.00 P ATOM 640 OP1 DT C 121 -13.223 1.617 -17.564 1.00 0.00 O ATOM 641 OP2 DT C 121 -10.923 2.651 -18.014 1.00 0.00 O ATOM 642 O5' DT C 121 -11.200 0.831 -16.309 1.00 0.00 O ATOM 643 C5' DT C 121 -11.741 -0.394 -15.815 1.00 0.00 C ATOM 644 C4' DT C 121 -10.922 -0.958 -14.646 1.00 0.00 C ATOM 645 O4' DT C 121 -9.633 -1.457 -15.082 1.00 0.00 O ATOM 646 C3' DT C 121 -10.662 0.101 -13.564 1.00 0.00 C ATOM 647 O3' DT C 121 -11.405 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121 -8.502 -2.019 -13.423 1.00 0.00 H new ATOM 0 H3 DT C 121 -4.230 -1.981 -14.552 1.00 0.00 H new ATOM 0 H71 DT C 121 -6.672 1.732 -17.602 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.522 2.495 -16.478 1.00 0.00 H new ATOM 0 H73 DT C 121 -4.932 1.388 -17.740 1.00 0.00 H new ATOM 0 H6 DT C 121 -7.958 0.758 -15.849 1.00 0.00 H new ATOM 671 P DT C 122 -11.313 0.774 -11.097 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.563 0.626 -10.331 1.00 0.00 O ATOM 673 OP2 DT C 122 -10.888 2.113 -11.562 1.00 0.00 O ATOM 674 O5' DT C 122 -10.123 0.160 -10.202 1.00 0.00 O ATOM 675 C5' DT C 122 -10.230 -1.165 -9.677 1.00 0.00 C ATOM 676 C4' DT C 122 -8.995 -1.552 -8.856 1.00 0.00 C ATOM 677 O4' DT C 122 -7.847 -1.728 -9.719 1.00 0.00 O ATOM 678 C3' DT C 122 -8.650 -0.468 -7.818 1.00 0.00 C ATOM 679 O3' DT C 122 -8.841 -0.943 -6.484 1.00 0.00 O ATOM 680 C2' DT C 122 -7.188 -0.148 -8.036 1.00 0.00 C ATOM 681 C1' DT C 122 -6.702 -1.028 -9.187 1.00 0.00 C ATOM 682 N1 DT C 122 -6.044 -0.197 -10.240 1.00 0.00 N ATOM 683 C2 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H73 DT C 122 -6.552 2.916 -13.456 1.00 0.00 H new ATOM 0 H6 DT C 122 -7.761 0.991 -10.596 1.00 0.00 H new ATOM 703 P DT C 123 -8.698 0.055 -5.220 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.499 -0.494 -4.102 1.00 0.00 O ATOM 705 OP2 DT C 123 -8.941 1.433 -5.693 1.00 0.00 O ATOM 706 O5' DT C 123 -7.144 -0.056 -4.828 1.00 0.00 O ATOM 707 C5' DT C 123 -6.588 -1.310 -4.453 1.00 0.00 C ATOM 708 C4' DT C 123 -5.099 -1.204 -4.128 1.00 0.00 C ATOM 709 O4' DT C 123 -4.348 -0.897 -5.335 1.00 0.00 O ATOM 710 C3' DT C 123 -4.787 -0.096 -3.113 1.00 0.00 C ATOM 711 O3' DT C 123 -3.959 -0.650 -2.082 1.00 0.00 O ATOM 712 C2' DT C 123 -4.060 0.973 -3.872 1.00 0.00 C ATOM 713 C1' DT C 123 -3.561 0.305 -5.144 1.00 0.00 C ATOM 714 N1 DT C 123 -3.632 1.206 -6.346 1.00 0.00 N ATOM 715 C2 DT C 123 -2.472 1.356 -7.105 1.00 0.00 C ATOM 716 O2 DT C 123 -1.426 0.781 -6.812 1.00 0.00 O ATOM 717 N3 DT C 123 -2.560 2.183 -8.212 1.00 0.00 N ATOM 718 C4 DT C 123 -3.686 2.869 -8.628 1.00 0.00 C ATOM 719 O4 DT C 123 -3.649 3.579 -9.630 1.00 0.00 O ATOM 720 C5 DT C 123 -4.848 2.663 -7.792 1.00 0.00 C ATOM 721 C7 DT C 123 -6.153 3.388 -8.148 1.00 0.00 C ATOM 722 C6 DT C 123 -4.794 1.854 -6.703 1.00 0.00 C ATOM 0 H5' DT C 123 -6.732 -2.026 -5.262 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.121 -1.698 -3.585 1.00 0.00 H new ATOM 0 H4' DT C 123 -4.815 -2.167 -3.703 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.682 0.316 -2.646 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.721 1.809 -4.102 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.231 1.373 -3.288 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.504 0.064 -5.035 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.716 2.297 -8.773 1.00 0.00 H new ATOM 0 H71 DT C 123 -5.922 4.333 -8.639 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.744 2.765 -8.819 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.721 3.582 -7.238 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.682 1.715 -6.103 1.00 0.00 H new ATOM 735 P DA C 124 -3.405 0.208 -0.835 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.571 -0.597 0.397 1.00 0.00 O ATOM 737 OP2 DA C 124 -3.991 1.565 -0.912 1.00 0.00 O ATOM 738 O5' DA C 124 -1.821 0.327 -1.157 1.00 0.00 O ATOM 739 C5' DA C 124 -1.062 -0.885 -1.290 1.00 0.00 C ATOM 740 C4' DA C 124 0.446 -0.675 -1.531 1.00 0.00 C ATOM 741 O4' DA C 124 0.656 -0.018 -2.804 1.00 0.00 O ATOM 742 C3' DA C 124 1.084 0.204 -0.448 1.00 0.00 C ATOM 743 O3' DA C 124 2.372 -0.300 -0.069 1.00 0.00 O ATOM 744 C2' DA C 124 1.255 1.555 -1.095 1.00 0.00 C ATOM 745 C1' DA C 124 1.126 1.334 -2.600 1.00 0.00 C ATOM 746 N9 DA C 124 0.197 2.297 -3.199 1.00 0.00 N ATOM 747 C8 DA C 124 -1.067 2.573 -2.823 1.00 0.00 C ATOM 748 N7 DA C 124 -1.696 3.434 -3.560 1.00 0.00 N ATOM 749 C5 DA C 124 -0.751 3.763 -4.524 1.00 0.00 C ATOM 750 C6 DA C 124 -0.785 4.629 -5.614 1.00 0.00 C ATOM 751 N6 DA C 124 -1.866 5.333 -5.941 1.00 0.00 N ATOM 752 N1 DA C 124 0.326 4.724 -6.365 1.00 0.00 N ATOM 753 C2 DA C 124 1.407 4.003 -6.058 1.00 0.00 C ATOM 754 N3 DA C 124 1.542 3.148 -5.045 1.00 0.00 N ATOM 755 C4 DA C 124 0.412 3.078 -4.313 1.00 0.00 C ATOM 0 H5' DA C 124 -1.471 -1.466 -2.117 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.193 -1.481 -0.387 1.00 0.00 H new ATOM 0 H4' DA C 124 0.908 -1.662 -1.512 1.00 0.00 H new ATOM 0 H3' DA C 124 0.469 0.233 0.451 1.00 0.00 H new ATOM 0 H2' DA C 124 0.498 2.254 -0.739 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.226 1.984 -0.848 1.00 0.00 H new ATOM 0 H1' DA C 124 2.092 1.482 -3.082 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.526 2.107 -1.964 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.844 5.955 -6.749 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.716 5.250 -5.384 1.00 0.00 H new ATOM 0 H2 DA C 124 2.266 4.126 -6.701 1.00 0.00 H new ATOM 767 P DT C 125 3.251 0.451 1.060 1.00 0.00 P ATOM 768 OP1 DT C 125 4.178 -0.540 1.651 1.00 0.00 O ATOM 769 OP2 DT C 125 2.331 1.211 1.936 1.00 0.00 O ATOM 770 O5' DT C 125 4.127 1.507 0.208 1.00 0.00 O ATOM 771 C5' DT C 125 5.119 1.031 -0.702 1.00 0.00 C ATOM 772 C4' DT C 125 5.775 2.152 -1.520 1.00 0.00 C ATOM 773 O4' DT C 125 4.827 2.694 -2.475 1.00 0.00 O ATOM 774 C3' DT C 125 6.272 3.324 -0.659 1.00 0.00 C ATOM 775 O3' DT C 125 7.665 3.548 -0.909 1.00 0.00 O ATOM 776 C2' DT C 125 5.477 4.524 -1.117 1.00 0.00 C ATOM 777 C1' DT C 125 4.904 4.135 -2.474 1.00 0.00 C ATOM 778 N1 DT C 125 3.576 4.770 -2.777 1.00 0.00 N ATOM 779 C2 DT C 125 3.446 5.409 -4.007 1.00 0.00 C ATOM 780 O2 DT C 125 4.368 5.455 -4.818 1.00 0.00 O ATOM 781 N3 DT C 125 2.221 5.985 -4.272 1.00 0.00 N ATOM 782 C4 DT C 125 1.125 5.988 -3.436 1.00 0.00 C ATOM 783 O4 DT C 125 0.057 6.459 -3.807 1.00 0.00 O ATOM 784 C5 DT C 125 1.343 5.325 -2.175 1.00 0.00 C ATOM 785 C7 DT C 125 0.243 5.366 -1.116 1.00 0.00 C ATOM 786 C6 DT C 125 2.528 4.739 -1.888 1.00 0.00 C ATOM 0 H5' DT C 125 4.663 0.312 -1.383 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.889 0.498 -0.144 1.00 0.00 H new ATOM 0 H4' DT C 125 6.632 1.693 -2.012 1.00 0.00 H new ATOM 0 H3' DT C 125 6.146 3.131 0.406 1.00 0.00 H new ATOM 0 H2' DT C 125 4.683 4.763 -0.409 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.110 5.408 -1.196 1.00 0.00 H new ATOM 0 H1' DT C 125 5.552 4.505 -3.269 1.00 0.00 H new ATOM 0 H3 DT C 125 2.116 6.453 -5.172 1.00 0.00 H new ATOM 0 H71 DT C 125 0.289 4.463 -0.508 1.00 0.00 H new ATOM 0 H72 DT C 125 0.383 6.239 -0.479 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.730 5.425 -1.604 1.00 0.00 H new ATOM 0 H6 DT C 125 2.653 4.236 -0.940 1.00 0.00 H new ATOM 799 P DC C 126 8.477 4.716 -0.151 1.00 0.00 P ATOM 800 OP1 DC C 126 9.861 4.243 0.078 1.00 0.00 O ATOM 801 OP2 DC C 126 7.660 5.181 0.991 1.00 0.00 O ATOM 802 O5' DC C 126 8.526 5.900 -1.252 1.00 0.00 O ATOM 803 C5' DC C 126 9.156 5.674 -2.522 1.00 0.00 C ATOM 804 C4' DC C 126 9.110 6.907 -3.440 1.00 0.00 C ATOM 805 O4' DC C 126 7.769 7.153 -3.934 1.00 0.00 O ATOM 806 C3' DC C 126 9.598 8.166 -2.708 1.00 0.00 C ATOM 807 O3' DC C 126 10.823 8.643 -3.264 1.00 0.00 O ATOM 808 C2' DC C 126 8.507 9.198 -2.909 1.00 0.00 C ATOM 809 C1' DC C 126 7.377 8.521 -3.682 1.00 0.00 C ATOM 810 N1 DC C 126 6.120 8.552 -2.894 1.00 0.00 N ATOM 811 C2 DC C 126 4.996 9.177 -3.430 1.00 0.00 C ATOM 812 O2 DC C 126 5.060 9.745 -4.521 1.00 0.00 O ATOM 813 N3 DC C 126 3.844 9.150 -2.711 1.00 0.00 N ATOM 814 C4 DC C 126 3.790 8.540 -1.519 1.00 0.00 C ATOM 815 N4 DC C 126 2.644 8.516 -0.852 1.00 0.00 N ATOM 816 C5 DC C 126 4.940 7.904 -0.967 1.00 0.00 C ATOM 817 C6 DC C 126 6.075 7.934 -1.684 1.00 0.00 C ATOM 0 H5' DC C 126 8.667 4.837 -3.021 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.195 5.386 -2.361 1.00 0.00 H new ATOM 0 H4' DC C 126 9.771 6.692 -4.280 1.00 0.00 H new ATOM 0 H3' DC C 126 9.787 7.960 -1.655 1.00 0.00 H new ATOM 0 H2' DC C 126 8.147 9.569 -1.949 1.00 0.00 H new ATOM 0 H2'' DC C 126 8.888 10.058 -3.460 1.00 0.00 H new ATOM 0 H1' DC C 126 7.199 9.046 -4.621 1.00 0.00 H new ATOM 0 H41 DC C 126 2.592 8.054 0.056 1.00 0.00 H new ATOM 0 H42 DC C 126 1.815 8.959 -1.247 1.00 0.00 H new ATOM 0 H5 DC C 126 4.900 7.415 -0.005 1.00 0.00 H new ATOM 0 H6 DC C 126 6.964 7.461 -1.294 1.00 0.00 H new ATOM 829 P DT C 127 11.679 9.771 -2.493 1.00 0.00 P ATOM 830 OP1 DT C 127 13.069 9.716 -2.996 1.00 0.00 O ATOM 831 OP2 DT C 127 11.414 9.640 -1.043 1.00 0.00 O ATOM 832 O5' DT C 127 11.015 11.143 -3.004 1.00 0.00 O ATOM 833 C5' DT C 127 11.016 11.464 -4.393 1.00 0.00 C ATOM 834 C4' DT C 127 10.188 12.715 -4.689 1.00 0.00 C ATOM 835 O4' DT C 127 8.779 12.446 -4.485 1.00 0.00 O ATOM 836 C3' DT C 127 10.578 13.896 -3.790 1.00 0.00 C ATOM 837 O3' DT C 127 11.077 14.967 -4.598 1.00 0.00 O ATOM 838 C2' DT C 127 9.305 14.304 -3.075 1.00 0.00 C ATOM 839 C1' DT C 127 8.172 13.515 -3.727 1.00 0.00 C ATOM 840 N1 DT C 127 7.212 12.984 -2.710 1.00 0.00 N ATOM 841 C2 DT C 127 5.883 13.384 -2.798 1.00 0.00 C ATOM 842 O2 DT C 127 5.485 14.136 -3.684 1.00 0.00 O ATOM 843 N3 DT C 127 5.027 12.883 -1.834 1.00 0.00 N ATOM 844 C4 DT C 127 5.372 12.028 -0.803 1.00 0.00 C ATOM 845 O4 DT C 127 4.525 11.643 0.001 1.00 0.00 O ATOM 846 C5 DT C 127 6.769 11.660 -0.784 1.00 0.00 C ATOM 847 C7 DT C 127 7.277 10.727 0.319 1.00 0.00 C ATOM 848 C6 DT C 127 7.629 12.135 -1.717 1.00 0.00 C ATOM 0 H5' DT C 127 10.618 10.623 -4.960 1.00 0.00 H new ATOM 0 H5'' DT C 127 12.041 11.619 -4.729 1.00 0.00 H new ATOM 0 H4' DT C 127 10.388 12.979 -5.727 1.00 0.00 H new ATOM 0 H3' DT C 127 11.361 13.636 -3.077 1.00 0.00 H new ATOM 0 H2' DT C 127 9.370 14.082 -2.010 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.134 15.377 -3.167 1.00 0.00 H new ATOM 0 H1' DT C 127 7.588 14.164 -4.380 1.00 0.00 H new ATOM 0 H3 DT C 127 4.050 13.171 -1.889 1.00 0.00 H new ATOM 0 H71 DT C 127 8.115 10.140 -0.058 1.00 0.00 H new ATOM 0 H72 DT C 127 7.604 11.319 1.174 1.00 0.00 H new ATOM 0 H73 DT C 127 6.474 10.057 0.627 1.00 0.00 H new ATOM 0 H6 DT C 127 8.667 11.838 -1.678 1.00 0.00 H new ATOM 861 P DG C 128 11.570 16.356 -3.951 1.00 0.00 P ATOM 862 OP1 DG C 128 12.530 16.983 -4.887 1.00 0.00 O ATOM 863 OP2 DG C 128 11.971 16.096 -2.550 1.00 0.00 O ATOM 864 O5' DG C 128 10.227 17.245 -3.936 1.00 0.00 O ATOM 865 C5' DG C 128 9.566 17.553 -5.167 1.00 0.00 C ATOM 866 C4' DG C 128 8.309 18.405 -4.956 1.00 0.00 C ATOM 867 O4' DG C 128 7.321 17.662 -4.215 1.00 0.00 O ATOM 868 C3' DG C 128 8.601 19.705 -4.196 1.00 0.00 C ATOM 869 O3' DG C 128 8.238 20.818 -5.011 1.00 0.00 O ATOM 870 C2' DG C 128 7.743 19.657 -2.950 1.00 0.00 C ATOM 871 C1' DG C 128 6.896 18.391 -3.045 1.00 0.00 C ATOM 872 N9 DG C 128 7.054 17.562 -1.843 1.00 0.00 N ATOM 873 C8 DG C 128 8.191 17.036 -1.327 1.00 0.00 C ATOM 874 N7 DG C 128 8.036 16.308 -0.262 1.00 0.00 N ATOM 875 C5 DG C 128 6.660 16.356 -0.045 1.00 0.00 C ATOM 876 C6 DG C 128 5.876 15.751 0.973 1.00 0.00 C ATOM 877 O6 DG C 128 6.249 15.034 1.899 1.00 0.00 O ATOM 878 N1 DG C 128 4.528 16.054 0.825 1.00 0.00 N ATOM 879 C2 DG C 128 3.998 16.842 -0.176 1.00 0.00 C ATOM 880 N2 DG C 128 2.680 17.037 -0.138 1.00 0.00 N ATOM 881 N3 DG C 128 4.733 17.412 -1.136 1.00 0.00 N ATOM 882 C4 DG C 128 6.050 17.127 -1.009 1.00 0.00 C ATOM 0 H5' DG C 128 9.293 16.626 -5.672 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.255 18.083 -5.824 1.00 0.00 H new ATOM 0 H4' DG C 128 7.939 18.660 -5.949 1.00 0.00 H new ATOM 0 H3' DG C 128 9.656 19.808 -3.942 1.00 0.00 H new ATOM 0 H2' DG C 128 8.364 19.640 -2.054 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.110 20.542 -2.883 1.00 0.00 H new ATOM 0 H1' DG C 128 5.841 18.656 -3.122 1.00 0.00 H new ATOM 0 H8 DG C 128 9.160 17.210 -1.771 1.00 0.00 H new ATOM 0 H1 DG C 128 3.880 15.664 1.509 1.00 0.00 H new ATOM 0 H21 DG C 128 2.229 17.610 -0.851 1.00 0.00 H new ATOM 0 H22 DG C 128 2.123 16.613 0.604 1.00 0.00 H new ATOM 894 P DC C 129 8.624 22.331 -4.624 1.00 0.00 P ATOM 895 OP1 DC C 129 8.658 23.135 -5.866 1.00 0.00 O ATOM 896 OP2 DC C 129 9.811 22.291 -3.742 1.00 0.00 O ATOM 897 O5' DC C 129 7.369 22.822 -3.744 1.00 0.00 O ATOM 898 C5' DC C 129 6.054 22.836 -4.302 1.00 0.00 C ATOM 899 C4' DC C 129 5.026 23.365 -3.300 1.00 0.00 C ATOM 900 O4' DC C 129 4.849 22.421 -2.207 1.00 0.00 O ATOM 901 C3' DC C 129 5.485 24.696 -2.690 1.00 0.00 C ATOM 902 O3' DC C 129 4.414 25.642 -2.739 1.00 0.00 O ATOM 903 C2' DC C 129 5.843 24.386 -1.261 1.00 0.00 C ATOM 904 C1' DC C 129 5.196 23.042 -0.944 1.00 0.00 C ATOM 905 N1 DC C 129 6.073 22.147 -0.114 1.00 0.00 N ATOM 906 C2 DC C 129 5.523 21.593 1.048 1.00 0.00 C ATOM 907 O2 DC C 129 4.367 21.862 1.373 1.00 0.00 O ATOM 908 N3 DC C 129 6.290 20.758 1.799 1.00 0.00 N ATOM 909 C4 DC C 129 7.545 20.468 1.444 1.00 0.00 C ATOM 910 N4 DC C 129 8.264 19.643 2.207 1.00 0.00 N ATOM 911 C5 DC C 129 8.123 21.025 0.260 1.00 0.00 C ATOM 912 C6 DC C 129 7.361 21.851 -0.487 1.00 0.00 C ATOM 0 H5' DC C 129 5.778 21.828 -4.610 1.00 0.00 H new ATOM 0 H5'' DC C 129 6.044 23.457 -5.198 1.00 0.00 H new ATOM 0 H4' DC C 129 4.091 23.505 -3.843 1.00 0.00 H new ATOM 0 H3' DC C 129 6.330 25.125 -3.229 1.00 0.00 H new ATOM 0 H2' DC C 129 6.924 24.338 -1.132 1.00 0.00 H new ATOM 0 H2'' DC C 129 5.476 25.163 -0.590 1.00 0.00 H new ATOM 0 H1' DC C 129 4.307 23.207 -0.335 1.00 0.00 H new ATOM 0 H41 DC C 129 9.223 19.414 1.947 1.00 0.00 H new ATOM 0 H42 DC C 129 7.854 19.242 3.051 1.00 0.00 H new ATOM 0 H5 DC C 129 9.138 20.792 -0.027 1.00 0.00 H new ATOM 0 H6 DC C 129 7.769 22.284 -1.388 1.00 0.00 H new ATOM 924 P DA C 130 4.587 27.137 -2.172 1.00 0.00 P ATOM 925 OP1 DA C 130 3.774 28.049 -3.007 1.00 0.00 O ATOM 926 OP2 DA C 130 6.034 27.395 -1.996 1.00 0.00 O ATOM 927 O5' DA C 130 3.914 27.054 -0.709 1.00 0.00 O ATOM 928 C5' DA C 130 2.535 26.689 -0.570 1.00 0.00 C ATOM 929 C4' DA C 130 2.090 26.669 0.899 1.00 0.00 C ATOM 930 O4' DA C 130 2.691 25.560 1.615 1.00 0.00 O ATOM 931 C3' DA C 130 2.490 27.964 1.613 1.00 0.00 C ATOM 932 O3' DA C 130 1.343 28.650 2.105 1.00 0.00 O ATOM 933 C2' DA C 130 3.356 27.544 2.777 1.00 0.00 C ATOM 934 C1' DA C 130 3.347 26.026 2.821 1.00 0.00 C ATOM 935 N9 DA C 130 4.714 25.494 2.918 1.00 0.00 N ATOM 936 C8 DA C 130 5.748 25.693 2.074 1.00 0.00 C ATOM 937 N7 DA C 130 6.852 25.083 2.388 1.00 0.00 N ATOM 938 C5 DA C 130 6.514 24.416 3.563 1.00 0.00 C ATOM 939 C6 DA C 130 7.239 23.581 4.419 1.00 0.00 C ATOM 940 N6 DA C 130 8.509 23.245 4.202 1.00 0.00 N ATOM 941 N1 DA C 130 6.598 23.092 5.497 1.00 0.00 N ATOM 942 C2 DA C 130 5.321 23.408 5.719 1.00 0.00 C ATOM 943 N3 DA C 130 4.543 24.187 4.969 1.00 0.00 N ATOM 944 C4 DA C 130 5.212 24.662 3.898 1.00 0.00 C ATOM 0 H5' DA C 130 2.374 25.705 -1.011 1.00 0.00 H new ATOM 0 H5'' DA C 130 1.916 27.393 -1.127 1.00 0.00 H new ATOM 0 H4' DA C 130 1.005 26.564 0.896 1.00 0.00 H new ATOM 0 H3' DA C 130 3.008 28.638 0.930 1.00 0.00 H new ATOM 0 H2' DA C 130 4.372 27.919 2.655 1.00 0.00 H new ATOM 0 H2'' DA C 130 2.973 27.958 3.710 1.00 0.00 H new ATOM 0 H1' DA C 130 2.811 25.675 3.703 1.00 0.00 H new ATOM 0 H8 DA C 130 5.664 26.317 1.197 1.00 0.00 H new ATOM 0 H61 DA C 130 8.994 22.632 4.858 1.00 0.00 H new ATOM 0 H62 DA C 130 8.997 23.601 3.380 1.00 0.00 H new ATOM 0 H2 DA C 130 4.868 22.986 6.604 1.00 0.00 H new ATOM 956 P DA C 131 1.520 30.059 2.857 1.00 0.00 P ATOM 957 OP1 DA C 131 0.253 30.813 2.734 1.00 0.00 O ATOM 958 OP2 DA C 131 2.788 30.669 2.398 1.00 0.00 O ATOM 959 O5' DA C 131 1.700 29.631 4.399 1.00 0.00 O ATOM 960 C5' DA C 131 0.639 28.977 5.096 1.00 0.00 C ATOM 961 C4' DA C 131 1.022 28.661 6.545 1.00 0.00 C ATOM 962 O4' DA C 131 2.015 27.607 6.607 1.00 0.00 O ATOM 963 C3' DA C 131 1.594 29.898 7.246 1.00 0.00 C ATOM 964 O3' DA C 131 0.808 30.264 8.380 1.00 0.00 O ATOM 965 C2' DA C 131 2.977 29.499 7.705 1.00 0.00 C ATOM 966 C1' DA C 131 3.137 28.016 7.421 1.00 0.00 C ATOM 967 N9 DA C 131 4.414 27.734 6.744 1.00 0.00 N ATOM 968 C8 DA C 131 4.886 28.260 5.593 1.00 0.00 C ATOM 969 N7 DA C 131 6.053 27.826 5.219 1.00 0.00 N ATOM 970 C5 DA C 131 6.387 26.923 6.228 1.00 0.00 C ATOM 971 C6 DA C 131 7.506 26.109 6.440 1.00 0.00 C ATOM 972 N6 DA C 131 8.538 26.061 5.598 1.00 0.00 N ATOM 973 N1 DA C 131 7.513 25.339 7.545 1.00 0.00 N ATOM 974 C2 DA C 131 6.477 25.365 8.385 1.00 0.00 C ATOM 975 N3 DA C 131 5.370 26.098 8.275 1.00 0.00 N ATOM 976 C4 DA C 131 5.394 26.861 7.163 1.00 0.00 C ATOM 0 H5' DA C 131 0.379 28.053 4.579 1.00 0.00 H new ATOM 0 H5'' DA C 131 -0.248 29.610 5.084 1.00 0.00 H new ATOM 0 H4' DA C 131 0.110 28.338 7.048 1.00 0.00 H new ATOM 0 H3' DA C 131 1.603 30.755 6.572 1.00 0.00 H new ATOM 0 H2' DA C 131 3.738 30.075 7.178 1.00 0.00 H new ATOM 0 H2'' DA C 131 3.102 29.702 8.769 1.00 0.00 H new ATOM 0 H1' DA C 131 3.153 27.455 8.355 1.00 0.00 H new ATOM 0 H8 DA C 131 4.332 28.991 5.023 1.00 0.00 H new ATOM 0 H61 DA C 131 9.331 25.451 5.797 1.00 0.00 H new ATOM 0 H62 DA C 131 8.535 26.634 4.754 1.00 0.00 H new ATOM 0 H2 DA C 131 6.543 24.721 9.249 1.00 0.00 H new ATOM 988 P DC C 132 1.230 31.543 9.261 1.00 0.00 P ATOM 989 OP1 DC C 132 0.023 32.054 9.950 1.00 0.00 O ATOM 990 OP2 DC C 132 2.031 32.447 8.406 1.00 0.00 O ATOM 991 O5' DC C 132 2.209 30.899 10.368 1.00 0.00 O ATOM 992 C5' DC C 132 1.800 29.755 11.122 1.00 0.00 C ATOM 993 C4' DC C 132 2.938 29.204 11.990 1.00 0.00 C ATOM 994 O4' DC C 132 3.957 28.564 11.189 1.00 0.00 O ATOM 995 C3' DC C 132 3.609 30.304 12.822 1.00 0.00 C ATOM 996 O3' DC C 132 3.302 30.149 14.209 1.00 0.00 O ATOM 997 C2' DC C 132 5.098 30.140 12.580 1.00 0.00 C ATOM 998 C1' DC C 132 5.269 28.945 11.659 1.00 0.00 C ATOM 999 N1 DC C 132 6.161 29.276 10.516 1.00 0.00 N ATOM 1000 C2 DC C 132 7.395 28.636 10.422 1.00 0.00 C ATOM 1001 O2 DC C 132 7.734 27.824 11.280 1.00 0.00 O ATOM 1002 N3 DC C 132 8.199 28.938 9.366 1.00 0.00 N ATOM 1003 C4 DC C 132 7.813 29.823 8.439 1.00 0.00 C ATOM 1004 N4 DC C 132 8.623 30.091 7.414 1.00 0.00 N ATOM 1005 C5 DC C 132 6.547 30.479 8.532 1.00 0.00 C ATOM 1006 C6 DC C 132 5.763 30.176 9.583 1.00 0.00 C ATOM 0 H5' DC C 132 1.453 28.977 10.442 1.00 0.00 H new ATOM 0 H5'' DC C 132 0.956 30.022 11.757 1.00 0.00 H new ATOM 0 H4' DC C 132 2.477 28.474 12.655 1.00 0.00 H new ATOM 0 H3' DC C 132 3.259 31.296 12.537 1.00 0.00 H new ATOM 0 H2' DC C 132 5.516 31.039 12.127 1.00 0.00 H new ATOM 0 H2'' DC C 132 5.626 29.981 13.520 1.00 0.00 H new ATOM 0 HO3' DC C 132 3.741 30.859 14.722 1.00 0.00 H new ATOM 0 H1' DC C 132 5.735 28.120 12.198 1.00 0.00 H new ATOM 0 H41 DC C 132 8.339 30.764 6.702 1.00 0.00 H new ATOM 0 H42 DC C 132 9.527 29.623 7.342 1.00 0.00 H new ATOM 0 H5 DC C 132 6.231 31.192 7.786 1.00 0.00 H new ATOM 0 H6 DC C 132 4.802 30.657 9.685 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -3.764 13.512 11.254 1.00 0.00 N ATOM 1021 CA LYS A 1 -4.743 13.146 12.315 1.00 0.00 C ATOM 1022 C LYS A 1 -5.349 11.774 11.992 1.00 0.00 C ATOM 1023 O LYS A 1 -6.335 11.673 11.290 1.00 0.00 O ATOM 1024 CB LYS A 1 -5.852 14.202 12.360 1.00 0.00 C ATOM 1025 CG LYS A 1 -5.286 15.520 12.900 1.00 0.00 C ATOM 1026 CD LYS A 1 -6.394 16.578 12.946 1.00 0.00 C ATOM 1027 CE LYS A 1 -5.848 17.872 13.555 1.00 0.00 C ATOM 1028 NZ LYS A 1 -6.933 18.894 13.609 1.00 0.00 N ATOM 0 H1 LYS A 1 -3.139 14.266 11.604 1.00 0.00 H new ATOM 0 H2 LYS A 1 -3.195 12.678 11.004 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.274 13.848 10.412 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.243 13.102 13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.264 14.353 11.362 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.669 13.859 12.994 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.873 15.368 13.897 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.469 15.863 12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.770 16.768 11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.234 16.213 13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.464 17.681 14.557 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.014 18.243 12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.562 19.773 14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.280 19.084 12.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.715 18.539 14.195 1.00 0.00 H new ATOM 1044 N ARG A 2 -4.769 10.715 12.506 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.317 9.344 12.239 1.00 0.00 C ATOM 1046 C ARG A 2 -6.173 8.902 13.431 1.00 0.00 C ATOM 1047 O ARG A 2 -6.780 7.849 13.416 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.165 8.340 12.047 1.00 0.00 C ATOM 1049 CG ARG A 2 -3.454 8.563 10.692 1.00 0.00 C ATOM 1050 CD ARG A 2 -2.312 9.572 10.846 1.00 0.00 C ATOM 1051 NE ARG A 2 -1.166 8.935 11.558 1.00 0.00 N ATOM 1052 CZ ARG A 2 0.008 9.505 11.530 1.00 0.00 C ATOM 1053 NH1 ARG A 2 0.159 10.647 10.918 1.00 0.00 N ATOM 1054 NH2 ARG A 2 1.028 8.942 12.121 1.00 0.00 N ATOM 0 H ARG A 2 -3.940 10.740 13.099 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.922 9.373 11.333 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.447 8.446 12.860 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.553 7.323 12.095 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.063 7.616 10.319 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.170 8.925 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.992 9.925 9.866 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.658 10.444 11.401 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.299 8.059 12.064 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.639 11.091 10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.075 11.096 10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.909 8.053 12.607 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.943 9.391 12.096 1.00 0.00 H new ATOM 1068 N ALA A 3 -6.223 9.696 14.467 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.032 9.320 15.662 1.00 0.00 C ATOM 1070 C ALA A 3 -8.525 9.485 15.358 1.00 0.00 C ATOM 1071 O ALA A 3 -9.014 10.578 15.149 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.643 10.220 16.839 1.00 0.00 C ATOM 0 H ALA A 3 -5.738 10.590 14.537 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.837 8.278 15.916 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.232 9.948 17.715 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.583 10.092 17.060 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.836 11.261 16.580 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.254 8.399 15.350 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.721 8.472 15.077 1.00 0.00 C ATOM 1080 C GLY A 4 -10.977 8.487 13.567 1.00 0.00 C ATOM 1081 O GLY A 4 -12.096 8.333 13.121 1.00 0.00 O ATOM 0 H GLY A 4 -8.895 7.460 15.522 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.226 7.619 15.530 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.139 9.369 15.533 1.00 0.00 H new ATOM 1085 N THR A 5 -9.960 8.697 12.776 1.00 0.00 N ATOM 1086 CA THR A 5 -10.178 8.749 11.302 1.00 0.00 C ATOM 1087 C THR A 5 -10.565 7.373 10.762 1.00 0.00 C ATOM 1088 O THR A 5 -9.778 6.447 10.765 1.00 0.00 O ATOM 1089 CB THR A 5 -8.904 9.210 10.599 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.366 10.336 11.279 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.229 9.590 9.149 1.00 0.00 C ATOM 0 H THR A 5 -8.997 8.834 13.082 1.00 0.00 H new ATOM 0 HA THR A 5 -10.987 9.453 11.108 1.00 0.00 H new ATOM 0 HB THR A 5 -8.173 8.402 10.606 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.650 10.732 10.740 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.319 9.919 8.647 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.638 8.724 8.629 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.961 10.397 9.140 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.767 7.256 10.260 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.240 5.971 9.660 1.00 0.00 C ATOM 1101 C VAL A 6 -12.642 6.271 8.216 1.00 0.00 C ATOM 1102 O VAL A 6 -13.216 7.305 7.936 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.448 5.445 10.444 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.056 5.223 11.907 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.589 6.460 10.375 1.00 0.00 C ATOM 0 H VAL A 6 -12.453 8.010 10.240 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.458 5.212 9.694 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.774 4.501 10.007 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.917 4.849 12.462 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.246 4.495 11.960 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.726 6.166 12.342 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.446 6.083 10.933 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.262 7.405 10.808 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.874 6.617 9.335 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.355 5.402 7.287 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.736 5.684 5.876 1.00 0.00 C ATOM 1117 C CYS A 7 -14.248 5.767 5.747 1.00 0.00 C ATOM 1118 O CYS A 7 -14.965 4.829 6.016 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.203 4.569 4.983 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.599 4.932 3.256 1.00 0.00 S ATOM 0 H CYS A 7 -11.876 4.515 7.442 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.307 6.638 5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.124 4.475 5.107 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.642 3.615 5.274 1.00 0.00 H new ATOM 1125 N SER A 8 -14.736 6.895 5.335 1.00 0.00 N ATOM 1126 CA SER A 8 -16.197 7.060 5.186 1.00 0.00 C ATOM 1127 C SER A 8 -16.742 6.083 4.141 1.00 0.00 C ATOM 1128 O SER A 8 -17.812 5.531 4.302 1.00 0.00 O ATOM 1129 CB SER A 8 -16.487 8.495 4.759 1.00 0.00 C ATOM 1130 OG SER A 8 -16.111 9.370 5.817 1.00 0.00 O ATOM 0 H SER A 8 -14.180 7.715 5.093 1.00 0.00 H new ATOM 0 HA SER A 8 -16.685 6.849 6.137 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.934 8.739 3.852 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.546 8.614 4.528 1.00 0.00 H new ATOM 0 HG SER A 8 -15.135 9.461 5.835 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.034 5.877 3.054 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.555 4.952 2.009 1.00 0.00 C ATOM 1138 C ASN A 9 -16.432 3.479 2.431 1.00 0.00 C ATOM 1139 O ASN A 9 -17.324 2.703 2.148 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.766 5.171 0.714 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.185 6.496 0.069 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.303 6.942 0.239 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.330 7.148 -0.671 1.00 0.00 N ATOM 0 H ASN A 9 -15.131 6.305 2.851 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.613 5.170 1.863 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.697 5.181 0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.946 4.347 0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.600 8.030 -1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.391 6.775 -0.815 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.344 3.053 3.072 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.232 1.590 3.447 1.00 0.00 C ATOM 1152 C CYS A 10 -14.887 1.389 4.933 1.00 0.00 C ATOM 1153 O CYS A 10 -14.591 0.288 5.351 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.207 0.874 2.542 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.506 1.240 3.055 1.00 0.00 S ATOM 0 H CYS A 10 -14.554 3.639 3.343 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.213 1.142 3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.376 -0.202 2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.352 1.185 1.508 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.977 2.412 5.747 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.727 2.256 7.219 1.00 0.00 C ATOM 1162 C GLN A 11 -13.354 1.668 7.569 1.00 0.00 C ATOM 1163 O GLN A 11 -13.058 1.489 8.735 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.820 1.370 7.821 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.163 2.096 7.721 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.268 1.207 8.291 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.207 -0.001 8.186 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.285 1.759 8.895 1.00 0.00 N ATOM 0 H GLN A 11 -15.215 3.359 5.454 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.744 3.261 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.867 0.418 7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.591 1.145 8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.121 3.038 8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.379 2.341 6.681 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.336 2.774 8.983 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -20.028 1.175 9.279 1.00 0.00 H new ATOM 1177 N THR A 12 -12.498 1.373 6.633 1.00 0.00 N ATOM 1178 CA THR A 12 -11.175 0.824 7.055 1.00 0.00 C ATOM 1179 C THR A 12 -10.470 1.903 7.878 1.00 0.00 C ATOM 1180 O THR A 12 -10.675 3.078 7.646 1.00 0.00 O ATOM 1181 CB THR A 12 -10.317 0.459 5.834 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.136 -0.194 6.276 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.937 1.717 5.054 1.00 0.00 C ATOM 0 H THR A 12 -12.644 1.481 5.629 1.00 0.00 H new ATOM 0 HA THR A 12 -11.320 -0.084 7.641 1.00 0.00 H new ATOM 0 HB THR A 12 -10.889 -0.200 5.181 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.584 -0.431 5.502 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.329 1.441 4.192 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.841 2.221 4.714 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.369 2.387 5.699 1.00 0.00 H new ATOM 1191 N SER A 13 -9.628 1.531 8.817 1.00 0.00 N ATOM 1192 CA SER A 13 -8.896 2.570 9.628 1.00 0.00 C ATOM 1193 C SER A 13 -7.435 2.570 9.189 1.00 0.00 C ATOM 1194 O SER A 13 -6.661 3.440 9.534 1.00 0.00 O ATOM 1195 CB SER A 13 -9.006 2.263 11.120 1.00 0.00 C ATOM 1196 OG SER A 13 -8.222 1.116 11.419 1.00 0.00 O ATOM 0 H SER A 13 -9.415 0.563 9.058 1.00 0.00 H new ATOM 0 HA SER A 13 -9.338 3.552 9.461 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.663 3.116 11.705 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.047 2.088 11.392 1.00 0.00 H new ATOM 0 HG SER A 13 -8.288 0.915 12.376 1.00 0.00 H new ATOM 1202 N THR A 14 -7.070 1.594 8.404 1.00 0.00 N ATOM 1203 CA THR A 14 -5.674 1.498 7.894 1.00 0.00 C ATOM 1204 C THR A 14 -5.639 2.051 6.475 1.00 0.00 C ATOM 1205 O THR A 14 -6.337 1.576 5.600 1.00 0.00 O ATOM 1206 CB THR A 14 -5.255 0.030 7.855 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.097 -0.672 6.951 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.383 -0.576 9.250 1.00 0.00 C ATOM 0 H THR A 14 -7.690 0.848 8.090 1.00 0.00 H new ATOM 0 HA THR A 14 -5.000 2.060 8.541 1.00 0.00 H new ATOM 0 HB THR A 14 -4.219 -0.046 7.525 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.562 -0.032 6.372 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.084 -1.624 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.739 -0.034 9.943 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.418 -0.504 9.585 1.00 0.00 H new ATOM 1216 N THR A 15 -4.830 3.042 6.230 1.00 0.00 N ATOM 1217 CA THR A 15 -4.751 3.617 4.857 1.00 0.00 C ATOM 1218 C THR A 15 -3.326 4.074 4.590 1.00 0.00 C ATOM 1219 O THR A 15 -2.623 4.490 5.489 1.00 0.00 O ATOM 1220 CB THR A 15 -5.671 4.832 4.760 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.019 5.962 5.320 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.954 4.558 5.531 1.00 0.00 C ATOM 0 H THR A 15 -4.220 3.480 6.920 1.00 0.00 H new ATOM 0 HA THR A 15 -5.051 2.861 4.131 1.00 0.00 H new ATOM 0 HB THR A 15 -5.908 5.027 3.714 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.620 6.405 5.955 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.612 5.425 5.463 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.455 3.688 5.106 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.716 4.365 6.577 1.00 0.00 H new ATOM 1230 N THR A 16 -2.896 4.028 3.366 1.00 0.00 N ATOM 1231 CA THR A 16 -1.521 4.496 3.073 1.00 0.00 C ATOM 1232 C THR A 16 -1.534 6.019 3.183 1.00 0.00 C ATOM 1233 O THR A 16 -0.628 6.625 3.717 1.00 0.00 O ATOM 1234 CB THR A 16 -1.095 4.080 1.660 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.809 4.852 0.707 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.370 2.588 1.411 1.00 0.00 C ATOM 0 H THR A 16 -3.430 3.691 2.565 1.00 0.00 H new ATOM 0 HA THR A 16 -0.813 4.055 3.774 1.00 0.00 H new ATOM 0 HB THR A 16 -0.023 4.253 1.562 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.205 4.258 0.035 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.057 2.324 0.401 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.812 1.990 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.436 2.391 1.524 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.586 6.636 2.703 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.703 8.124 2.799 1.00 0.00 C ATOM 1246 C LEU A 17 -4.171 8.484 3.012 1.00 0.00 C ATOM 1247 O LEU A 17 -5.040 8.008 2.309 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.184 8.805 1.513 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.593 10.190 1.841 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.360 10.052 2.771 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.207 10.903 0.524 1.00 0.00 C ATOM 0 H LEU A 17 -3.371 6.171 2.247 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.098 8.475 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.424 8.180 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.998 8.910 0.795 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.340 10.785 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.043 11.041 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.658 9.567 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.403 9.451 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.788 11.884 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.467 10.307 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.094 11.022 -0.099 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.458 9.331 3.956 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.866 9.727 4.182 1.00 0.00 C ATOM 1265 C TRP A 18 -6.255 10.761 3.133 1.00 0.00 C ATOM 1266 O TRP A 18 -5.570 11.743 2.927 1.00 0.00 O ATOM 1267 CB TRP A 18 -5.996 10.338 5.582 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.048 9.233 6.590 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.084 8.948 7.495 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.100 8.250 6.790 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.483 7.854 8.239 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.719 7.390 7.844 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.341 8.024 6.167 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.536 6.343 8.266 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.164 6.970 6.590 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.763 6.132 7.634 1.00 0.00 C ATOM 0 H TRP A 18 -3.777 9.765 4.579 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.521 8.859 4.105 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.151 10.995 5.786 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.897 10.948 5.645 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.156 9.487 7.616 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.930 7.440 8.989 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.661 8.665 5.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.223 5.700 9.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.115 6.805 6.105 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.402 5.321 7.952 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.349 10.538 2.470 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.820 11.481 1.416 1.00 0.00 C ATOM 1289 C ARG A 19 -9.175 12.059 1.805 1.00 0.00 C ATOM 1290 O ARG A 19 -10.081 11.330 2.134 1.00 0.00 O ATOM 1291 CB ARG A 19 -7.980 10.687 0.106 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.615 10.537 -0.594 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.207 11.867 -1.251 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.355 11.591 -2.449 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.266 10.879 -2.361 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.787 10.538 -1.197 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.628 10.547 -3.446 1.00 0.00 N ATOM 0 H ARG A 19 -7.951 9.727 2.614 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.104 12.294 1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.399 9.703 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.682 11.197 -0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.858 10.233 0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.669 9.752 -1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.095 12.427 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.661 12.485 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.632 11.968 -3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.265 10.828 -0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.935 9.981 -1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.981 10.844 -4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.775 9.990 -3.386 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.346 13.348 1.761 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.680 13.906 2.106 1.00 0.00 C ATOM 1313 C ARG A 20 -11.556 13.761 0.859 1.00 0.00 C ATOM 1314 O ARG A 20 -11.068 13.834 -0.251 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.548 15.386 2.496 1.00 0.00 C ATOM 1316 CG ARG A 20 -11.720 15.786 3.410 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.562 15.165 4.820 1.00 0.00 C ATOM 1318 NE ARG A 20 -12.038 16.138 5.863 1.00 0.00 N ATOM 1319 CZ ARG A 20 -11.505 17.326 5.985 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -10.461 17.654 5.274 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -11.997 18.175 6.845 1.00 0.00 N ATOM 0 H ARG A 20 -8.632 14.031 1.505 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.119 13.379 2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.601 15.554 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.542 16.009 1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.769 16.872 3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.660 15.457 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.134 14.239 4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.518 14.908 4.999 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.795 15.865 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.058 16.983 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.048 18.582 5.372 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.796 17.912 7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.582 19.102 6.941 1.00 0.00 H new ATOM 1335 N SER A 21 -12.836 13.556 1.016 1.00 0.00 N ATOM 1336 CA SER A 21 -13.717 13.409 -0.187 1.00 0.00 C ATOM 1337 C SER A 21 -14.269 14.792 -0.576 1.00 0.00 C ATOM 1338 O SER A 21 -14.304 15.694 0.233 1.00 0.00 O ATOM 1339 CB SER A 21 -14.857 12.433 0.138 1.00 0.00 C ATOM 1340 OG SER A 21 -14.591 11.179 -0.473 1.00 0.00 O ATOM 0 H SER A 21 -13.310 13.484 1.916 1.00 0.00 H new ATOM 0 HA SER A 21 -13.150 13.010 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.951 12.312 1.217 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.806 12.832 -0.222 1.00 0.00 H new ATOM 0 HG SER A 21 -15.316 10.554 -0.266 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.697 14.959 -1.807 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.254 16.266 -2.256 1.00 0.00 C ATOM 1348 C PRO A 22 -16.378 16.751 -1.326 1.00 0.00 C ATOM 1349 O PRO A 22 -16.739 17.911 -1.319 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.794 15.927 -3.668 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.583 14.419 -3.919 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.655 13.877 -2.827 1.00 0.00 C ATOM 0 HA PRO A 22 -14.523 17.074 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.852 16.180 -3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.274 16.514 -4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.538 13.894 -3.902 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.147 14.255 -4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.010 12.927 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.644 13.708 -3.199 1.00 0.00 H new ATOM 1360 N MET A 23 -16.936 15.854 -0.547 1.00 0.00 N ATOM 1361 CA MET A 23 -18.043 16.232 0.385 1.00 0.00 C ATOM 1362 C MET A 23 -17.469 16.592 1.760 1.00 0.00 C ATOM 1363 O MET A 23 -18.148 17.153 2.597 1.00 0.00 O ATOM 1364 CB MET A 23 -19.002 15.048 0.533 1.00 0.00 C ATOM 1365 CG MET A 23 -19.586 14.683 -0.834 1.00 0.00 C ATOM 1366 SD MET A 23 -20.703 15.997 -1.393 1.00 0.00 S ATOM 1367 CE MET A 23 -22.040 15.724 -0.199 1.00 0.00 C ATOM 0 H MET A 23 -16.669 14.870 -0.518 1.00 0.00 H new ATOM 0 HA MET A 23 -18.575 17.094 -0.019 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.476 14.192 0.955 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.804 15.302 1.226 1.00 0.00 H new ATOM 0 HG2 MET A 23 -18.783 14.543 -1.558 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.125 13.738 -0.769 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.984 16.061 -0.627 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.107 14.662 0.036 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.834 16.285 0.713 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.226 16.266 2.001 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.596 16.578 3.323 1.00 0.00 C ATOM 1379 C GLY A 24 -15.606 15.330 4.211 1.00 0.00 C ATOM 1380 O GLY A 24 -15.526 15.419 5.421 1.00 0.00 O ATOM 0 H GLY A 24 -15.614 15.794 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.572 16.922 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.138 17.388 3.812 1.00 0.00 H new ATOM 1384 N ASP A 25 -15.709 14.164 3.624 1.00 0.00 N ATOM 1385 CA ASP A 25 -15.730 12.897 4.420 1.00 0.00 C ATOM 1386 C ASP A 25 -14.348 12.199 4.344 1.00 0.00 C ATOM 1387 O ASP A 25 -13.821 12.027 3.264 1.00 0.00 O ATOM 1388 CB ASP A 25 -16.769 11.964 3.795 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.152 12.609 3.864 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.306 13.556 4.617 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.036 12.143 3.164 1.00 0.00 O ATOM 0 H ASP A 25 -15.780 14.034 2.615 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.968 13.121 5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.506 11.755 2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.776 11.009 4.320 1.00 0.00 H new ATOM 1396 N PRO A 26 -13.756 11.772 5.450 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.434 11.074 5.374 1.00 0.00 C ATOM 1398 C PRO A 26 -12.531 9.730 4.621 1.00 0.00 C ATOM 1399 O PRO A 26 -13.354 8.895 4.940 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.079 10.853 6.862 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.281 11.283 7.723 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.327 11.950 6.817 1.00 0.00 C ATOM 0 HA PRO A 26 -11.686 11.646 4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.840 9.805 7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.195 11.432 7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.714 10.418 8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.959 11.975 8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.303 11.474 6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.461 13.003 7.064 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.671 9.510 3.650 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.686 8.201 2.902 1.00 0.00 C ATOM 1412 C VAL A 27 -10.264 7.663 2.786 1.00 0.00 C ATOM 1413 O VAL A 27 -9.303 8.398 2.898 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.303 8.350 1.503 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.830 8.443 1.627 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.754 9.602 0.813 1.00 0.00 C ATOM 0 H VAL A 27 -10.962 10.175 3.342 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.305 7.501 3.463 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.042 7.480 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.270 8.549 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.213 7.538 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.094 9.308 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.199 9.696 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.000 10.482 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.671 9.520 0.718 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.112 6.383 2.551 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.747 5.812 2.417 1.00 0.00 C ATOM 1428 C CYS A 28 -8.257 6.062 0.982 1.00 0.00 C ATOM 1429 O CYS A 28 -9.041 6.227 0.069 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.757 4.312 2.799 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.603 3.287 1.566 1.00 0.00 S ATOM 0 H CYS A 28 -10.875 5.715 2.447 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.051 6.296 3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.731 3.963 2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.246 4.190 3.766 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.969 6.153 0.793 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.416 6.467 -0.562 1.00 0.00 C ATOM 1438 C ASN A 29 -7.021 5.561 -1.635 1.00 0.00 C ATOM 1439 O ASN A 29 -7.155 5.955 -2.777 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.901 6.248 -0.534 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.282 6.720 -1.852 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.197 5.966 -2.800 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.831 7.940 -1.945 1.00 0.00 N ATOM 0 H ASN A 29 -6.268 6.023 1.523 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.661 7.501 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.461 6.794 0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.680 5.192 -0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.406 8.262 -2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.903 8.572 -1.148 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.386 4.366 -1.301 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.974 3.473 -2.333 1.00 0.00 C ATOM 1452 C ALA A 30 -9.391 3.949 -2.697 1.00 0.00 C ATOM 1453 O ALA A 30 -9.714 4.119 -3.856 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.015 2.054 -1.792 1.00 0.00 C ATOM 0 H ALA A 30 -7.306 3.966 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.362 3.499 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.445 1.391 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.003 1.726 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.626 2.026 -0.890 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.245 4.154 -1.724 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.636 4.609 -2.041 1.00 0.00 C ATOM 1462 C CYS A 31 -11.584 5.936 -2.787 1.00 0.00 C ATOM 1463 O CYS A 31 -12.310 6.159 -3.718 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.441 4.827 -0.757 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.924 3.249 -0.039 1.00 0.00 S ATOM 0 H CYS A 31 -10.042 4.028 -0.732 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.110 3.839 -2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.846 5.393 -0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.329 5.421 -0.974 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.746 6.827 -2.383 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.700 8.132 -3.085 1.00 0.00 C ATOM 1472 C GLY A 32 -10.486 7.905 -4.581 1.00 0.00 C ATOM 1473 O GLY A 32 -11.150 8.497 -5.409 1.00 0.00 O ATOM 0 H GLY A 32 -10.094 6.717 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.629 8.678 -2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.894 8.745 -2.681 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.559 7.062 -4.935 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.293 6.805 -6.378 1.00 0.00 C ATOM 1479 C LEU A 33 -10.420 5.965 -6.993 1.00 0.00 C ATOM 1480 O LEU A 33 -10.995 6.331 -7.998 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.964 6.056 -6.506 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.834 6.886 -5.873 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.545 6.048 -5.820 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.589 8.166 -6.696 1.00 0.00 C ATOM 0 H LEU A 33 -8.972 6.538 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.244 7.755 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.034 5.086 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.743 5.866 -7.556 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.125 7.168 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.746 6.638 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.717 5.154 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.258 5.758 -6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.787 8.745 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.306 7.896 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.500 8.764 -6.719 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.743 4.844 -6.407 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.831 3.997 -6.981 1.00 0.00 C ATOM 1498 C TYR A 34 -13.138 4.782 -7.014 1.00 0.00 C ATOM 1499 O TYR A 34 -13.874 4.745 -7.979 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.024 2.746 -6.121 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.162 1.926 -6.682 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.479 2.213 -6.306 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.903 0.882 -7.580 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.538 1.460 -6.826 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.964 0.126 -8.098 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.280 0.416 -7.721 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.323 -0.324 -8.237 1.00 0.00 O ATOM 0 H TYR A 34 -10.305 4.479 -5.561 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.552 3.707 -7.994 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.108 2.156 -6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.238 3.029 -5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.679 3.017 -5.613 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.887 0.660 -7.873 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.554 1.685 -6.537 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.766 -0.681 -8.788 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.970 -1.009 -8.843 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.437 5.479 -5.958 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.700 6.260 -5.906 1.00 0.00 C ATOM 1519 C TYR A 35 -14.671 7.348 -6.979 1.00 0.00 C ATOM 1520 O TYR A 35 -15.592 7.525 -7.728 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.843 6.910 -4.522 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.279 7.306 -4.303 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.731 8.551 -4.738 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.154 6.420 -3.665 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.067 8.918 -4.536 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.489 6.780 -3.462 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.949 8.032 -3.898 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.266 8.392 -3.698 1.00 0.00 O ATOM 0 H TYR A 35 -12.856 5.542 -5.122 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.546 5.596 -6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.524 6.214 -3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.198 7.785 -4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.052 9.231 -5.230 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.798 5.457 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.419 9.883 -4.871 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.165 6.096 -2.971 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.739 7.664 -3.244 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.618 8.085 -7.060 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.557 9.156 -8.086 1.00 0.00 C ATOM 1540 C LYS A 36 -13.692 8.547 -9.482 1.00 0.00 C ATOM 1541 O LYS A 36 -14.350 9.095 -10.345 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.199 9.850 -7.953 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.974 10.826 -9.105 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.730 11.671 -8.807 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.464 10.787 -8.764 1.00 0.00 C ATOM 1546 NZ LYS A 36 -9.110 10.507 -7.343 1.00 0.00 N ATOM 0 H LYS A 36 -12.794 7.999 -6.465 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.368 9.870 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.150 10.383 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.404 9.104 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.844 10.281 -10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.845 11.469 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.616 12.440 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.853 12.184 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.639 9.853 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.637 11.290 -9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.075 10.486 -7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.503 11.253 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.505 9.587 -7.062 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.066 7.436 -9.720 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.147 6.819 -11.071 1.00 0.00 C ATOM 1562 C LEU A 37 -14.535 6.197 -11.321 1.00 0.00 C ATOM 1563 O LEU A 37 -15.093 6.354 -12.389 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.050 5.740 -11.202 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.741 6.349 -11.741 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.089 7.249 -10.687 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.778 5.216 -12.098 1.00 0.00 C ATOM 0 H LEU A 37 -12.501 6.926 -9.040 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.994 7.597 -11.819 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.869 5.280 -10.231 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.390 4.949 -11.871 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.967 6.950 -12.622 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.166 7.669 -11.088 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.772 8.057 -10.426 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.864 6.662 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.848 5.636 -12.481 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.569 4.622 -11.208 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.230 4.581 -12.860 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.083 5.467 -10.372 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.420 4.808 -10.596 1.00 0.00 C ATOM 1581 C HIS A 38 -17.531 5.480 -9.776 1.00 0.00 C ATOM 1582 O HIS A 38 -18.694 5.204 -9.978 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.315 3.336 -10.197 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.353 2.645 -11.120 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.775 1.850 -12.174 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.984 2.640 -11.172 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.677 1.404 -12.811 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.559 1.856 -12.240 1.00 0.00 N ATOM 0 H HIS A 38 -14.666 5.299 -9.456 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.679 4.906 -11.650 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.974 3.249 -9.165 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.295 2.861 -10.250 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -16.742 1.641 -12.422 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.334 3.165 -10.488 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.698 0.760 -13.678 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.204 6.365 -8.874 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.244 7.066 -8.054 1.00 0.00 C ATOM 1598 C GLN A 39 -19.364 6.111 -7.609 1.00 0.00 C ATOM 1599 O GLN A 39 -20.540 6.380 -7.737 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.762 8.282 -8.829 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.637 9.165 -7.932 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.001 10.443 -8.686 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.327 11.448 -8.569 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.038 10.442 -9.477 1.00 0.00 N ATOM 0 H GLN A 39 -16.244 6.639 -8.664 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.793 7.424 -7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.921 8.862 -9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.337 7.950 -9.693 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.541 8.628 -7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.105 9.410 -7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.604 9.599 -9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.283 11.284 -9.997 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.974 5.012 -7.023 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.937 4.027 -6.471 1.00 0.00 C ATOM 1615 C VAL A 40 -19.241 3.354 -5.291 1.00 0.00 C ATOM 1616 O VAL A 40 -18.030 3.344 -5.214 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.321 2.974 -7.504 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.210 3.608 -8.578 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.061 2.363 -8.138 1.00 0.00 C ATOM 0 H VAL A 40 -17.995 4.752 -6.902 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.856 4.531 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.876 2.175 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.484 2.854 -9.316 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.113 4.006 -8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.667 4.416 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.351 1.613 -8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.483 3.147 -8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.454 1.895 -7.363 1.00 0.00 H new ATOM 1629 N ASN A 41 -19.969 2.812 -4.358 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.290 2.172 -3.185 1.00 0.00 C ATOM 1631 C ASN A 41 -18.913 0.714 -3.505 1.00 0.00 C ATOM 1632 O ASN A 41 -19.747 -0.088 -3.874 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.214 2.223 -1.962 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.596 1.669 -2.315 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.935 1.532 -3.475 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.417 1.348 -1.352 1.00 0.00 N ATOM 0 H ASN A 41 -20.988 2.781 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.374 2.722 -2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.781 1.644 -1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.306 3.251 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.343 0.982 -1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.132 1.463 -0.379 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.649 0.370 -3.362 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.198 -1.031 -3.653 1.00 0.00 C ATOM 1645 C ARG A 42 -17.302 -1.880 -2.366 1.00 0.00 C ATOM 1646 O ARG A 42 -16.731 -1.513 -1.358 1.00 0.00 O ATOM 1647 CB ARG A 42 -15.720 -1.000 -4.096 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.208 -2.431 -4.453 1.00 0.00 C ATOM 1649 CD ARG A 42 -15.417 -2.764 -5.960 1.00 0.00 C ATOM 1650 NE ARG A 42 -14.098 -2.979 -6.655 1.00 0.00 N ATOM 1651 CZ ARG A 42 -13.088 -2.157 -6.499 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -13.223 -1.069 -5.798 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -11.943 -2.417 -7.068 1.00 0.00 N ATOM 0 H ARG A 42 -16.910 1.003 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.823 -1.460 -4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.610 -0.345 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.107 -0.580 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.149 -2.509 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.732 -3.167 -3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.032 -3.658 -6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.958 -1.951 -6.444 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.987 -3.789 -7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.120 -0.850 -5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.432 -0.436 -5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.834 -3.259 -7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.157 -1.778 -6.947 1.00 0.00 H new ATOM 1667 N PRO A 43 -17.980 -3.017 -2.374 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.047 -3.850 -1.144 1.00 0.00 C ATOM 1669 C PRO A 43 -16.651 -4.051 -0.530 1.00 0.00 C ATOM 1670 O PRO A 43 -15.648 -4.003 -1.214 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.663 -5.166 -1.654 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.229 -4.916 -3.066 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.714 -3.550 -3.563 1.00 0.00 C ATOM 0 HA PRO A 43 -18.631 -3.400 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.910 -5.954 -1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.452 -5.502 -0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.917 -5.709 -3.745 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.319 -4.925 -3.045 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.059 -3.655 -4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.532 -2.894 -3.860 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.586 -4.244 0.755 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.265 -4.416 1.434 1.00 0.00 C ATOM 1683 C LEU A 44 -14.573 -5.706 0.976 1.00 0.00 C ATOM 1684 O LEU A 44 -13.827 -6.311 1.719 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.493 -4.490 2.952 1.00 0.00 C ATOM 1686 CG LEU A 44 -15.708 -3.084 3.525 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.115 -2.584 3.189 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -15.531 -3.130 5.045 1.00 0.00 C ATOM 0 H LEU A 44 -17.396 -4.291 1.373 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.629 -3.569 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.360 -5.115 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.635 -4.959 3.433 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.979 -2.403 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.254 -1.585 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.240 -2.550 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -17.854 -3.260 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -15.683 -2.133 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.260 -3.817 5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.524 -3.473 5.284 1.00 0.00 H new ATOM 1700 N THR A 45 -14.808 -6.145 -0.221 1.00 0.00 N ATOM 1701 CA THR A 45 -14.155 -7.403 -0.674 1.00 0.00 C ATOM 1702 C THR A 45 -12.642 -7.197 -0.816 1.00 0.00 C ATOM 1703 O THR A 45 -11.890 -8.149 -0.884 1.00 0.00 O ATOM 1704 CB THR A 45 -14.742 -7.822 -2.025 1.00 0.00 C ATOM 1705 OG1 THR A 45 -13.864 -8.743 -2.653 1.00 0.00 O ATOM 1706 CG2 THR A 45 -14.918 -6.592 -2.918 1.00 0.00 C ATOM 0 H THR A 45 -15.418 -5.695 -0.903 1.00 0.00 H new ATOM 0 HA THR A 45 -14.337 -8.182 0.066 1.00 0.00 H new ATOM 0 HB THR A 45 -15.713 -8.291 -1.867 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.238 -9.014 -3.517 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.336 -6.896 -3.878 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.594 -5.886 -2.435 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.950 -6.117 -3.078 1.00 0.00 H new ATOM 1714 N MET A 46 -12.190 -5.965 -0.893 1.00 0.00 N ATOM 1715 CA MET A 46 -10.715 -5.707 -1.069 1.00 0.00 C ATOM 1716 C MET A 46 -10.063 -5.197 0.232 1.00 0.00 C ATOM 1717 O MET A 46 -8.863 -5.022 0.290 1.00 0.00 O ATOM 1718 CB MET A 46 -10.525 -4.667 -2.183 1.00 0.00 C ATOM 1719 CG MET A 46 -10.878 -5.291 -3.537 1.00 0.00 C ATOM 1720 SD MET A 46 -10.990 -4.000 -4.810 1.00 0.00 S ATOM 1721 CE MET A 46 -9.219 -3.723 -5.089 1.00 0.00 C ATOM 0 H MET A 46 -12.772 -5.129 -0.842 1.00 0.00 H new ATOM 0 HA MET A 46 -10.230 -6.647 -1.333 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.158 -3.799 -1.996 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.494 -4.314 -2.192 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.121 -6.024 -3.817 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.826 -5.824 -3.464 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.056 -3.427 -6.125 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.865 -2.934 -4.426 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.670 -4.642 -4.884 1.00 0.00 H new ATOM 1731 N ARG A 47 -10.824 -4.945 1.267 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.201 -4.433 2.534 1.00 0.00 C ATOM 1733 C ARG A 47 -9.624 -5.575 3.372 1.00 0.00 C ATOM 1734 O ARG A 47 -10.207 -6.634 3.497 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.240 -3.695 3.375 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.982 -2.683 2.507 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.015 -1.664 1.918 1.00 0.00 C ATOM 1738 NE ARG A 47 -10.336 -2.249 0.730 1.00 0.00 N ATOM 1739 CZ ARG A 47 -9.652 -1.481 -0.068 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -9.557 -0.209 0.184 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -9.054 -1.985 -1.110 1.00 0.00 N ATOM 0 H ARG A 47 -11.836 -5.068 1.295 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.396 -3.756 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.946 -4.406 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.753 -3.187 4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.506 -3.201 1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.738 -2.172 3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.553 -0.760 1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.277 -1.374 2.665 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.406 -3.249 0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.018 0.184 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.022 0.396 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.121 -2.984 -1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.519 -1.380 -1.733 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.483 -5.341 3.964 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.827 -6.369 4.832 1.00 0.00 C ATOM 1757 C LYS A 48 -7.340 -5.699 6.117 1.00 0.00 C ATOM 1758 O LYS A 48 -7.175 -4.496 6.170 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.646 -6.989 4.087 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.173 -7.857 2.946 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.999 -8.483 2.193 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.534 -9.373 1.071 1.00 0.00 C ATOM 1763 NZ LYS A 48 -7.177 -10.579 1.665 1.00 0.00 N ATOM 0 H LYS A 48 -7.967 -4.465 3.882 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.541 -7.155 5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.997 -6.206 3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.045 -7.590 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.823 -8.638 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.775 -7.255 2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.360 -7.703 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.385 -9.070 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.255 -8.822 0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.722 -9.669 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.267 -11.318 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.593 -10.933 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.121 -10.329 2.023 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.127 -6.457 7.161 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.670 -5.850 8.446 1.00 0.00 C ATOM 1779 C ASP A 49 -5.546 -4.844 8.183 1.00 0.00 C ATOM 1780 O ASP A 49 -5.777 -3.657 8.079 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.164 -6.956 9.381 1.00 0.00 C ATOM 1782 CG ASP A 49 -5.527 -6.329 10.624 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -6.253 -6.065 11.568 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -4.324 -6.122 10.608 1.00 0.00 O ATOM 0 H ASP A 49 -7.250 -7.469 7.179 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.507 -5.330 8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.990 -7.606 9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.436 -7.579 8.862 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.332 -5.306 8.077 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.204 -4.367 7.826 1.00 0.00 C ATOM 1791 C GLY A 50 -3.288 -3.844 6.394 1.00 0.00 C ATOM 1792 O GLY A 50 -4.237 -4.106 5.681 1.00 0.00 O ATOM 0 H GLY A 50 -4.072 -6.289 8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.244 -3.537 8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.252 -4.874 7.984 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.297 -3.112 5.959 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.309 -2.579 4.571 1.00 0.00 C ATOM 1798 C ILE A 51 -1.611 -3.572 3.635 1.00 0.00 C ATOM 1799 O ILE A 51 -0.716 -4.293 4.030 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.584 -1.236 4.546 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.277 -0.298 5.546 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.653 -0.653 3.128 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.755 1.127 5.387 1.00 0.00 C ATOM 0 H ILE A 51 -1.477 -2.861 6.511 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.337 -2.440 4.235 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.537 -1.355 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.355 -0.317 5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.100 -0.646 6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.137 0.307 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.176 -1.340 2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.696 -0.511 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.255 1.780 6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.681 1.144 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.955 1.477 4.374 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.008 -3.596 2.393 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.364 -4.521 1.417 1.00 0.00 C ATOM 1817 C GLN A 52 -0.035 -3.905 0.970 1.00 0.00 C ATOM 1818 O GLN A 52 0.122 -2.704 0.972 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.281 -4.700 0.201 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.516 -5.509 0.596 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.471 -5.606 -0.598 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -5.253 -6.532 -0.691 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.454 -4.673 -1.515 1.00 0.00 N ATOM 0 H GLN A 52 -2.753 -3.013 2.010 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.190 -5.493 1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.582 -3.726 -0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.743 -5.208 -0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.221 -6.507 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.019 -5.035 1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.799 -3.895 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.096 -4.724 -2.306 1.00 0.00 H new ATOM 1832 N THR A 53 0.944 -4.705 0.634 1.00 0.00 N ATOM 1833 CA THR A 53 2.266 -4.125 0.231 1.00 0.00 C ATOM 1834 C THR A 53 2.935 -4.971 -0.859 1.00 0.00 C ATOM 1835 O THR A 53 2.593 -6.115 -1.086 1.00 0.00 O ATOM 1836 CB THR A 53 3.171 -4.050 1.462 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.531 -4.029 1.057 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.916 -5.259 2.355 1.00 0.00 C ATOM 0 H THR A 53 0.890 -5.723 0.620 1.00 0.00 H new ATOM 0 HA THR A 53 2.102 -3.127 -0.176 1.00 0.00 H new ATOM 0 HB THR A 53 2.951 -3.138 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.107 -3.979 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.561 -5.206 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.873 -5.264 2.671 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.132 -6.173 1.801 1.00 0.00 H new ATOM 1846 N ARG A 54 3.895 -4.392 -1.527 1.00 0.00 N ATOM 1847 CA ARG A 54 4.628 -5.112 -2.611 1.00 0.00 C ATOM 1848 C ARG A 54 6.047 -4.570 -2.742 1.00 0.00 C ATOM 1849 O ARG A 54 6.359 -3.489 -2.284 1.00 0.00 O ATOM 1850 CB ARG A 54 3.904 -4.939 -3.952 1.00 0.00 C ATOM 1851 CG ARG A 54 2.586 -5.724 -3.941 1.00 0.00 C ATOM 1852 CD ARG A 54 2.077 -5.890 -5.374 1.00 0.00 C ATOM 1853 NE ARG A 54 2.959 -6.850 -6.097 1.00 0.00 N ATOM 1854 CZ ARG A 54 2.564 -7.377 -7.224 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.411 -7.040 -7.730 1.00 0.00 N ATOM 1856 NH2 ARG A 54 3.326 -8.236 -7.847 1.00 0.00 N ATOM 0 H ARG A 54 4.208 -3.435 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 54 4.664 -6.170 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.706 -3.883 -4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.539 -5.290 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.737 -6.701 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.844 -5.200 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.050 -6.254 -5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.071 -4.927 -5.885 1.00 0.00 H new ATOM 0 HE ARG A 54 3.871 -7.095 -5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.819 -6.365 -7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.101 -7.451 -8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.230 -8.495 -7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.017 -8.647 -8.728 1.00 0.00 H new ATOM 1870 N ASN A 55 6.908 -5.316 -3.375 1.00 0.00 N ATOM 1871 CA ASN A 55 8.308 -4.851 -3.549 1.00 0.00 C ATOM 1872 C ASN A 55 8.294 -3.428 -4.120 1.00 0.00 C ATOM 1873 O ASN A 55 7.425 -3.062 -4.887 1.00 0.00 O ATOM 1874 CB ASN A 55 9.046 -5.806 -4.494 1.00 0.00 C ATOM 1875 CG ASN A 55 8.494 -5.681 -5.916 1.00 0.00 C ATOM 1876 OD1 ASN A 55 7.488 -5.040 -6.140 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.117 -6.280 -6.894 1.00 0.00 N ATOM 0 H ASN A 55 6.700 -6.229 -3.779 1.00 0.00 H new ATOM 0 HA ASN A 55 8.825 -4.842 -2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.112 -5.580 -4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.936 -6.832 -4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.758 -6.209 -7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.962 -6.819 -6.706 1.00 0.00 H new ATOM 1884 N ARG A 56 9.231 -2.614 -3.722 1.00 0.00 N ATOM 1885 CA ARG A 56 9.260 -1.199 -4.212 1.00 0.00 C ATOM 1886 C ARG A 56 9.429 -1.176 -5.734 1.00 0.00 C ATOM 1887 O ARG A 56 10.380 -1.706 -6.271 1.00 0.00 O ATOM 1888 CB ARG A 56 10.446 -0.462 -3.568 1.00 0.00 C ATOM 1889 CG ARG A 56 10.325 1.065 -3.804 1.00 0.00 C ATOM 1890 CD ARG A 56 9.466 1.749 -2.704 1.00 0.00 C ATOM 1891 NE ARG A 56 10.266 2.797 -1.975 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.450 2.548 -1.465 1.00 0.00 C ATOM 1893 NH1 ARG A 56 11.986 1.363 -1.559 1.00 0.00 N ATOM 1894 NH2 ARG A 56 12.096 3.499 -0.845 1.00 0.00 N ATOM 0 H ARG A 56 9.981 -2.864 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 56 8.324 -0.710 -3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.474 -0.670 -2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.382 -0.829 -3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.319 1.511 -3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.878 1.248 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.586 2.206 -3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.109 1.000 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 56 9.874 3.733 -1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.485 0.613 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.907 1.186 -1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.680 4.426 -0.760 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.016 3.314 -0.446 1.00 0.00 H new ATOM 1908 N LYS A 57 8.513 -0.560 -6.434 1.00 0.00 N ATOM 1909 CA LYS A 57 8.624 -0.502 -7.918 1.00 0.00 C ATOM 1910 C LYS A 57 9.901 0.238 -8.317 1.00 0.00 C ATOM 1911 O LYS A 57 10.756 0.513 -7.498 1.00 0.00 O ATOM 1912 CB LYS A 57 7.410 0.207 -8.500 1.00 0.00 C ATOM 1913 CG LYS A 57 7.384 1.649 -8.027 1.00 0.00 C ATOM 1914 CD LYS A 57 6.037 2.260 -8.401 1.00 0.00 C ATOM 1915 CE LYS A 57 6.074 3.775 -8.178 1.00 0.00 C ATOM 1916 NZ LYS A 57 4.814 4.390 -8.686 1.00 0.00 N ATOM 0 H LYS A 57 7.694 -0.096 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 57 8.665 -1.518 -8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.444 0.172 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.497 -0.303 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.534 1.696 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.196 2.213 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.806 2.042 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.245 1.814 -7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.194 3.993 -7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.933 4.207 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.783 5.393 -8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.783 4.312 -9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.996 3.894 -8.277 1.00 0.00 H new ATOM 1930 N VAL A 58 10.039 0.553 -9.575 1.00 0.00 N ATOM 1931 CA VAL A 58 11.258 1.266 -10.044 1.00 0.00 C ATOM 1932 C VAL A 58 11.391 2.592 -9.306 1.00 0.00 C ATOM 1933 O VAL A 58 10.411 3.190 -8.906 1.00 0.00 O ATOM 1934 CB VAL A 58 11.117 1.555 -11.534 1.00 0.00 C ATOM 1935 CG1 VAL A 58 10.987 0.240 -12.303 1.00 0.00 C ATOM 1936 CG2 VAL A 58 9.871 2.418 -11.760 1.00 0.00 C ATOM 0 H VAL A 58 9.355 0.345 -10.302 1.00 0.00 H new ATOM 0 HA VAL A 58 12.135 0.648 -9.855 1.00 0.00 H new ATOM 0 HB VAL A 58 11.998 2.087 -11.892 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.886 0.450 -13.368 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.875 -0.369 -12.135 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.106 -0.300 -11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.763 2.629 -12.824 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.989 1.884 -11.405 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.973 3.355 -11.213 1.00 0.00 H new ATOM 1946 N SER A 59 12.592 3.067 -9.122 1.00 0.00 N ATOM 1947 CA SER A 59 12.767 4.362 -8.413 1.00 0.00 C ATOM 1948 C SER A 59 12.496 5.511 -9.381 1.00 0.00 C ATOM 1949 O SER A 59 12.826 5.446 -10.549 1.00 0.00 O ATOM 1950 CB SER A 59 14.195 4.472 -7.881 1.00 0.00 C ATOM 1951 OG SER A 59 15.109 4.336 -8.962 1.00 0.00 O ATOM 0 H SER A 59 13.454 2.617 -9.430 1.00 0.00 H new ATOM 0 HA SER A 59 12.068 4.413 -7.579 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.339 5.433 -7.387 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.378 3.699 -7.135 1.00 0.00 H new ATOM 0 HG SER A 59 16.027 4.408 -8.626 1.00 0.00 H new ATOM 1957 N SER A 60 11.892 6.563 -8.904 1.00 0.00 N ATOM 1958 CA SER A 60 11.591 7.729 -9.784 1.00 0.00 C ATOM 1959 C SER A 60 11.754 9.020 -8.974 1.00 0.00 C ATOM 1960 O SER A 60 11.193 9.165 -7.906 1.00 0.00 O ATOM 1961 CB SER A 60 10.154 7.602 -10.295 1.00 0.00 C ATOM 1962 OG SER A 60 9.872 8.673 -11.185 1.00 0.00 O ATOM 0 H SER A 60 11.591 6.667 -7.935 1.00 0.00 H new ATOM 0 HA SER A 60 12.274 7.753 -10.633 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.021 6.647 -10.804 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.456 7.617 -9.458 1.00 0.00 H new ATOM 0 HG SER A 60 8.952 8.591 -11.514 1.00 0.00 H new ATOM 1968 N LYS A 61 12.528 9.956 -9.475 1.00 0.00 N ATOM 1969 CA LYS A 61 12.750 11.246 -8.740 1.00 0.00 C ATOM 1970 C LYS A 61 11.953 12.378 -9.400 1.00 0.00 C ATOM 1971 O LYS A 61 12.003 12.575 -10.598 1.00 0.00 O ATOM 1972 CB LYS A 61 14.245 11.597 -8.753 1.00 0.00 C ATOM 1973 CG LYS A 61 15.008 10.646 -7.823 1.00 0.00 C ATOM 1974 CD LYS A 61 16.499 11.008 -7.822 1.00 0.00 C ATOM 1975 CE LYS A 61 17.259 10.073 -6.874 1.00 0.00 C ATOM 1976 NZ LYS A 61 16.911 8.657 -7.174 1.00 0.00 N ATOM 0 H LYS A 61 13.018 9.882 -10.366 1.00 0.00 H new ATOM 0 HA LYS A 61 12.411 11.127 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.637 11.522 -9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.389 12.629 -8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.607 10.712 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.874 9.615 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.903 10.925 -8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.631 12.044 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 61 18.333 10.224 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 61 17.008 10.307 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.638 8.029 -6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.988 8.430 -6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.864 8.522 -8.204 1.00 0.00 H new ATOM 1990 N GLY A 62 11.212 13.126 -8.617 1.00 0.00 N ATOM 1991 CA GLY A 62 10.398 14.253 -9.178 1.00 0.00 C ATOM 1992 C GLY A 62 11.137 15.583 -8.990 1.00 0.00 C ATOM 1993 O GLY A 62 10.610 16.639 -9.283 1.00 0.00 O ATOM 0 H GLY A 62 11.135 13.004 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.207 14.081 -10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.429 14.294 -8.681 1.00 0.00 H new ATOM 1997 N LYS A 63 12.345 15.549 -8.496 1.00 0.00 N ATOM 1998 CA LYS A 63 13.096 16.823 -8.288 1.00 0.00 C ATOM 1999 C LYS A 63 13.301 17.533 -9.625 1.00 0.00 C ATOM 2000 O LYS A 63 13.207 18.741 -9.715 1.00 0.00 O ATOM 2001 CB LYS A 63 14.461 16.534 -7.660 1.00 0.00 C ATOM 2002 CG LYS A 63 15.139 17.864 -7.293 1.00 0.00 C ATOM 2003 CD LYS A 63 16.379 17.613 -6.424 1.00 0.00 C ATOM 2004 CE LYS A 63 17.528 17.053 -7.272 1.00 0.00 C ATOM 2005 NZ LYS A 63 17.836 17.993 -8.388 1.00 0.00 N ATOM 0 H LYS A 63 12.843 14.700 -8.228 1.00 0.00 H new ATOM 0 HA LYS A 63 12.517 17.461 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.342 15.915 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 63 15.084 15.974 -8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.425 18.396 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.436 18.502 -6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.691 18.543 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.134 16.913 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.413 16.908 -6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.255 16.076 -7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.823 17.862 -8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.201 17.801 -9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.700 18.972 -8.065 1.00 0.00 H new ATOM 2019 N LYS A 64 13.594 16.801 -10.668 1.00 0.00 N ATOM 2020 CA LYS A 64 13.815 17.456 -11.990 1.00 0.00 C ATOM 2021 C LYS A 64 13.363 16.515 -13.108 1.00 0.00 C ATOM 2022 O LYS A 64 13.425 15.307 -12.981 1.00 0.00 O ATOM 2023 CB LYS A 64 15.304 17.780 -12.135 1.00 0.00 C ATOM 2024 CG LYS A 64 15.502 18.777 -13.276 1.00 0.00 C ATOM 2025 CD LYS A 64 16.969 19.204 -13.329 1.00 0.00 C ATOM 2026 CE LYS A 64 17.108 20.406 -14.263 1.00 0.00 C ATOM 2027 NZ LYS A 64 18.548 20.754 -14.413 1.00 0.00 N ATOM 0 H LYS A 64 13.689 15.785 -10.662 1.00 0.00 H new ATOM 0 HA LYS A 64 13.236 18.377 -12.056 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.688 18.196 -11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.867 16.868 -12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.209 18.325 -14.224 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.864 19.648 -13.127 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.322 19.461 -12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.588 18.379 -13.683 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.675 20.176 -15.237 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.557 21.257 -13.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.643 21.572 -15.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.947 20.991 -13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.061 19.943 -14.813 1.00 0.00 H new ATOM 2041 N ARG A 65 12.892 17.062 -14.200 1.00 0.00 N ATOM 2042 CA ARG A 65 12.409 16.211 -15.329 1.00 0.00 C ATOM 2043 C ARG A 65 13.510 16.080 -16.376 1.00 0.00 C ATOM 2044 O ARG A 65 13.278 15.658 -17.492 1.00 0.00 O ATOM 2045 CB ARG A 65 11.179 16.866 -15.957 1.00 0.00 C ATOM 2046 CG ARG A 65 10.089 17.011 -14.889 1.00 0.00 C ATOM 2047 CD ARG A 65 8.841 17.649 -15.502 1.00 0.00 C ATOM 2048 NE ARG A 65 8.011 18.265 -14.415 1.00 0.00 N ATOM 2049 CZ ARG A 65 7.601 17.568 -13.389 1.00 0.00 C ATOM 2050 NH1 ARG A 65 7.738 16.271 -13.370 1.00 0.00 N ATOM 2051 NH2 ARG A 65 7.001 18.170 -12.397 1.00 0.00 N ATOM 0 H ARG A 65 12.821 18.067 -14.359 1.00 0.00 H new ATOM 0 HA ARG A 65 12.148 15.220 -14.958 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.440 17.843 -16.364 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.814 16.262 -16.788 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.842 16.034 -14.474 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.454 17.624 -14.065 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.127 18.408 -16.230 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.260 16.897 -16.037 1.00 0.00 H new ATOM 0 HE ARG A 65 7.761 19.252 -14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.169 15.792 -14.161 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.415 15.736 -12.564 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.855 19.179 -12.426 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.679 17.631 -11.593 1.00 0.00 H new ATOM 2065 N ARG A 66 14.708 16.442 -16.018 1.00 0.00 N ATOM 2066 CA ARG A 66 15.851 16.350 -16.976 1.00 0.00 C ATOM 2067 C ARG A 66 17.088 15.830 -16.241 1.00 0.00 C ATOM 2068 O ARG A 66 17.838 16.647 -15.732 1.00 0.00 O ATOM 2069 CB ARG A 66 16.146 17.740 -17.542 1.00 0.00 C ATOM 2070 CG ARG A 66 17.180 17.626 -18.662 1.00 0.00 C ATOM 2071 CD ARG A 66 17.536 19.024 -19.168 1.00 0.00 C ATOM 2072 NE ARG A 66 16.320 19.668 -19.737 1.00 0.00 N ATOM 2073 CZ ARG A 66 16.310 20.951 -19.975 1.00 0.00 C ATOM 2074 NH1 ARG A 66 17.374 21.668 -19.738 1.00 0.00 N ATOM 2075 NH2 ARG A 66 15.236 21.516 -20.453 1.00 0.00 N ATOM 2076 OXT ARG A 66 17.263 14.624 -16.198 1.00 0.00 O ATOM 0 H ARG A 66 14.950 16.802 -15.095 1.00 0.00 H new ATOM 0 HA ARG A 66 15.596 15.669 -17.788 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.230 18.191 -17.923 1.00 0.00 H new ATOM 0 HB3 ARG A 66 16.519 18.394 -16.754 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.074 17.121 -18.297 1.00 0.00 H new ATOM 0 HG3 ARG A 66 16.784 17.022 -19.478 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.933 19.628 -18.352 1.00 0.00 H new ATOM 0 HD3 ARG A 66 18.316 18.961 -19.927 1.00 0.00 H new ATOM 0 HE ARG A 66 15.494 19.106 -19.941 1.00 0.00 H new ATOM 0 HH11 ARG A 66 18.215 21.226 -19.366 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.365 22.671 -19.924 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.405 20.955 -20.640 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.227 22.519 -20.639 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -11.889 3.171 1.984 1.00 0.00 ZN