USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=30 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 -129:sc= -2.37! USER MOD Set 1.2: C 125 DT C7 :methyl 150:sc= -3.21! (180deg=-1.06) USER MOD Set 2.1: A 12 THR OG1 : rot -109:sc= 0.00501 USER MOD Set 2.2: A 14 THR OG1 : rot 10:sc= 0.913 USER MOD Set 3.1: A 9 ASN : amide:sc= -3.94! C(o=-3.9!,f=-3.4!) USER MOD Set 3.2: A 21 SER OG : rot -160:sc= 0 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= 0.0181 (180deg=-0.4) USER MOD Single : A 5 THR OG1 : rot -152:sc= -0.447 USER MOD Single : A 8 SER OG : rot 82:sc= 0.402 USER MOD Single : A 11 GLN : amide:sc= -4.2! C(o=-4.2!,f=-3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -131:sc= 0.355 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.61! K(o=-2.6!,f=-0.8) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HE2:sc= -6.24! C(o=-6.2!,f=-11!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 41 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 146:sc= -0.253 (180deg=-0.904) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.56 K(o=-1.6,f=-4.8!) USER MOD Single : A 53 THR OG1 : rot 94:sc= 0.243 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 57 LYS NZ :NH3+ -111:sc= 0.325 (180deg=0.168) USER MOD Single : A 59 SER OG : rot 42:sc= 0.848 USER MOD Single : A 60 SER OG : rot -4:sc= 0.961 USER MOD Single : A 61 LYS NZ :NH3+ -131:sc= -0.395 (180deg=-1.66) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -0.155 (180deg=-0.766) USER MOD Single : B 101 DG O5' : rot 180:sc= -0.722 USER MOD Single : B 102 DT C7 :methyl -30:sc= -1.3 (180deg=-1.47) USER MOD Single : B 103 DT C7 :methyl -30:sc= -1.14 (180deg=-1.3) USER MOD Single : B 109 DT C7 :methyl 150:sc= -1.95 (180deg=-1.95) USER MOD Single : B 115 DT C7 :methyl -30:sc= -1.55! (180deg=-2!) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.9 (180deg=-0.9) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 77:sc= -1.23! USER MOD Single : C 119 DT C7 :methyl -30:sc= -0.296 (180deg=-0.359) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.352 (180deg=-0.352) USER MOD Single : C 122 DT C7 :methyl 150:sc= -0.834 (180deg=-0.834) USER MOD Single : C 123 DT C7 :methyl -30:sc= -1.75! (180deg=-5.24!) USER MOD Single : C 127 DT C7 :methyl -30:sc= -1.39 (180deg=-1.64!) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 19.934 20.725 8.183 1.00 0.00 O ATOM 2 C5' DG B 101 20.495 20.139 9.361 1.00 0.00 C ATOM 3 C4' DG B 101 19.467 19.274 10.098 1.00 0.00 C ATOM 4 O4' DG B 101 18.438 20.105 10.687 1.00 0.00 O ATOM 5 C3' DG B 101 18.777 18.288 9.153 1.00 0.00 C ATOM 6 O3' DG B 101 18.672 17.002 9.770 1.00 0.00 O ATOM 7 C2' DG B 101 17.407 18.866 8.914 1.00 0.00 C ATOM 8 C1' DG B 101 17.179 19.899 10.008 1.00 0.00 C ATOM 9 N9 DG B 101 16.676 21.168 9.452 1.00 0.00 N ATOM 10 C8 DG B 101 17.182 21.927 8.435 1.00 0.00 C ATOM 11 N7 DG B 101 16.538 23.028 8.193 1.00 0.00 N ATOM 12 C5 DG B 101 15.507 23.004 9.130 1.00 0.00 C ATOM 13 C6 DG B 101 14.467 23.943 9.359 1.00 0.00 C ATOM 14 O6 DG B 101 14.248 24.998 8.768 1.00 0.00 O ATOM 15 N1 DG B 101 13.638 23.539 10.397 1.00 0.00 N ATOM 16 C2 DG B 101 13.785 22.379 11.126 1.00 0.00 C ATOM 17 N2 DG B 101 12.875 22.161 12.077 1.00 0.00 N ATOM 18 N3 DG B 101 14.763 21.493 10.914 1.00 0.00 N ATOM 19 C4 DG B 101 15.583 21.870 9.905 1.00 0.00 C ATOM 0 H5' DG B 101 20.854 20.925 10.025 1.00 0.00 H new ATOM 0 H5'' DG B 101 21.358 19.531 9.091 1.00 0.00 H new ATOM 0 H4' DG B 101 20.012 18.725 10.866 1.00 0.00 H new ATOM 0 H3' DG B 101 19.332 18.153 8.225 1.00 0.00 H new ATOM 0 H2' DG B 101 17.346 19.325 7.927 1.00 0.00 H new ATOM 0 H2'' DG B 101 16.645 18.087 8.950 1.00 0.00 H new ATOM 0 HO5' DG B 101 20.612 21.272 7.735 1.00 0.00 H new ATOM 0 H1' DG B 101 16.423 19.538 10.705 1.00 0.00 H new ATOM 0 H8 DG B 101 18.055 21.632 7.872 1.00 0.00 H new ATOM 0 H1 DG B 101 12.858 24.150 10.639 1.00 0.00 H new ATOM 0 H21 DG B 101 12.929 21.320 12.651 1.00 0.00 H new ATOM 0 H22 DG B 101 12.125 22.836 12.230 1.00 0.00 H new ATOM 32 P DT B 102 17.976 15.762 9.011 1.00 0.00 P ATOM 33 OP1 DT B 102 18.672 14.522 9.421 1.00 0.00 O ATOM 34 OP2 DT B 102 17.861 16.104 7.575 1.00 0.00 O ATOM 35 O5' DT B 102 16.491 15.739 9.647 1.00 0.00 O ATOM 36 C5' DT B 102 16.325 15.553 11.055 1.00 0.00 C ATOM 37 C4' DT B 102 14.850 15.558 11.493 1.00 0.00 C ATOM 38 O4' DT B 102 14.287 16.891 11.381 1.00 0.00 O ATOM 39 C3' DT B 102 13.982 14.615 10.648 1.00 0.00 C ATOM 40 O3' DT B 102 13.286 13.703 11.509 1.00 0.00 O ATOM 41 C2' DT B 102 12.992 15.499 9.928 1.00 0.00 C ATOM 42 C1' DT B 102 13.054 16.856 10.622 1.00 0.00 C ATOM 43 N1 DT B 102 12.981 18.002 9.666 1.00 0.00 N ATOM 44 C2 DT B 102 12.012 18.975 9.886 1.00 0.00 C ATOM 45 O2 DT B 102 11.205 18.894 10.809 1.00 0.00 O ATOM 46 N3 DT B 102 12.003 20.040 9.004 1.00 0.00 N ATOM 47 C4 DT B 102 12.863 20.220 7.936 1.00 0.00 C ATOM 48 O4 DT B 102 12.777 21.218 7.223 1.00 0.00 O ATOM 49 C5 DT B 102 13.835 19.162 7.778 1.00 0.00 C ATOM 50 C7 DT B 102 14.839 19.245 6.623 1.00 0.00 C ATOM 51 C6 DT B 102 13.863 18.109 8.631 1.00 0.00 C ATOM 0 H5' DT B 102 16.858 16.342 11.585 1.00 0.00 H new ATOM 0 H5'' DT B 102 16.782 14.607 11.347 1.00 0.00 H new ATOM 0 H4' DT B 102 14.844 15.217 12.528 1.00 0.00 H new ATOM 0 H3' DT B 102 14.579 14.030 9.949 1.00 0.00 H new ATOM 0 H2' DT B 102 13.246 15.589 8.872 1.00 0.00 H new ATOM 0 H2'' DT B 102 11.987 15.081 9.979 1.00 0.00 H new ATOM 0 H1' DT B 102 12.186 16.968 11.272 1.00 0.00 H new ATOM 0 H3 DT B 102 11.296 20.760 9.155 1.00 0.00 H new ATOM 0 H71 DT B 102 14.388 19.780 5.787 1.00 0.00 H new ATOM 0 H72 DT B 102 15.732 19.775 6.954 1.00 0.00 H new ATOM 0 H73 DT B 102 15.112 18.239 6.305 1.00 0.00 H new ATOM 0 H6 DT B 102 14.602 17.335 8.488 1.00 0.00 H new ATOM 64 P DT B 103 12.290 12.584 10.916 1.00 0.00 P ATOM 65 OP1 DT B 103 12.252 11.453 11.871 1.00 0.00 O ATOM 66 OP2 DT B 103 12.652 12.344 9.502 1.00 0.00 O ATOM 67 O5' DT B 103 10.854 13.324 10.954 1.00 0.00 O ATOM 68 C5' DT B 103 10.316 13.768 12.204 1.00 0.00 C ATOM 69 C4' DT B 103 8.965 14.485 12.056 1.00 0.00 C ATOM 70 O4' DT B 103 9.138 15.780 11.438 1.00 0.00 O ATOM 71 C3' DT B 103 7.961 13.685 11.213 1.00 0.00 C ATOM 72 O3' DT B 103 6.856 13.291 12.024 1.00 0.00 O ATOM 73 C2' DT B 103 7.494 14.635 10.126 1.00 0.00 C ATOM 74 C1' DT B 103 8.131 15.989 10.427 1.00 0.00 C ATOM 75 N1 DT B 103 8.728 16.598 9.206 1.00 0.00 N ATOM 76 C2 DT B 103 8.257 17.834 8.784 1.00 0.00 C ATOM 77 O2 DT B 103 7.356 18.425 9.373 1.00 0.00 O ATOM 78 N3 DT B 103 8.866 18.367 7.663 1.00 0.00 N ATOM 79 C4 DT B 103 9.889 17.783 6.937 1.00 0.00 C ATOM 80 O4 DT B 103 10.358 18.346 5.951 1.00 0.00 O ATOM 81 C5 DT B 103 10.316 16.501 7.446 1.00 0.00 C ATOM 82 C7 DT B 103 11.451 15.760 6.728 1.00 0.00 C ATOM 83 C6 DT B 103 9.732 15.959 8.542 1.00 0.00 C ATOM 0 H5' DT B 103 11.028 14.442 12.681 1.00 0.00 H new ATOM 0 H5'' DT B 103 10.195 12.911 12.866 1.00 0.00 H new ATOM 0 H4' DT B 103 8.569 14.590 13.066 1.00 0.00 H new ATOM 0 H3' DT B 103 8.406 12.781 10.797 1.00 0.00 H new ATOM 0 H2' DT B 103 7.795 14.276 9.142 1.00 0.00 H new ATOM 0 H2'' DT B 103 6.407 14.711 10.119 1.00 0.00 H new ATOM 0 H1' DT B 103 7.370 16.685 10.780 1.00 0.00 H new ATOM 0 H3 DT B 103 8.530 19.275 7.341 1.00 0.00 H new ATOM 0 H71 DT B 103 11.439 16.015 5.668 1.00 0.00 H new ATOM 0 H72 DT B 103 12.408 16.053 7.161 1.00 0.00 H new ATOM 0 H73 DT B 103 11.314 14.685 6.844 1.00 0.00 H new ATOM 0 H6 DT B 103 10.070 14.997 8.898 1.00 0.00 H new ATOM 96 P DG B 104 5.681 12.337 11.470 1.00 0.00 P ATOM 97 OP1 DG B 104 5.058 11.653 12.624 1.00 0.00 O ATOM 98 OP2 DG B 104 6.230 11.538 10.351 1.00 0.00 O ATOM 99 O5' DG B 104 4.607 13.374 10.863 1.00 0.00 O ATOM 100 C5' DG B 104 4.004 14.357 11.705 1.00 0.00 C ATOM 101 C4' DG B 104 3.010 15.237 10.938 1.00 0.00 C ATOM 102 O4' DG B 104 3.708 16.084 9.986 1.00 0.00 O ATOM 103 C3' DG B 104 2.014 14.376 10.153 1.00 0.00 C ATOM 104 O3' DG B 104 0.677 14.821 10.386 1.00 0.00 O ATOM 105 C2' DG B 104 2.366 14.576 8.705 1.00 0.00 C ATOM 106 C1' DG B 104 3.256 15.803 8.640 1.00 0.00 C ATOM 107 N9 DG B 104 4.396 15.604 7.715 1.00 0.00 N ATOM 108 C8 DG B 104 5.296 14.577 7.656 1.00 0.00 C ATOM 109 N7 DG B 104 6.203 14.689 6.730 1.00 0.00 N ATOM 110 C5 DG B 104 5.883 15.896 6.111 1.00 0.00 C ATOM 111 C6 DG B 104 6.512 16.559 5.019 1.00 0.00 C ATOM 112 O6 DG B 104 7.498 16.206 4.374 1.00 0.00 O ATOM 113 N1 DG B 104 5.869 17.749 4.708 1.00 0.00 N ATOM 114 C2 DG B 104 4.762 18.245 5.361 1.00 0.00 C ATOM 115 N2 DG B 104 4.286 19.406 4.911 1.00 0.00 N ATOM 116 N3 DG B 104 4.167 17.628 6.388 1.00 0.00 N ATOM 117 C4 DG B 104 4.777 16.463 6.708 1.00 0.00 C ATOM 0 H5' DG B 104 4.780 14.984 12.144 1.00 0.00 H new ATOM 0 H5'' DG B 104 3.490 13.863 12.529 1.00 0.00 H new ATOM 0 H4' DG B 104 2.483 15.846 11.673 1.00 0.00 H new ATOM 0 H3' DG B 104 2.068 13.329 10.452 1.00 0.00 H new ATOM 0 H2' DG B 104 2.882 13.702 8.307 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.468 14.717 8.104 1.00 0.00 H new ATOM 0 H1' DG B 104 2.696 16.651 8.246 1.00 0.00 H new ATOM 0 H8 DG B 104 5.257 13.734 8.329 1.00 0.00 H new ATOM 0 H1 DG B 104 6.245 18.299 3.936 1.00 0.00 H new ATOM 0 H21 DG B 104 3.468 19.827 5.352 1.00 0.00 H new ATOM 0 H22 DG B 104 4.740 19.873 4.126 1.00 0.00 H new ATOM 129 P DC B 105 -0.568 14.035 9.737 1.00 0.00 P ATOM 130 OP1 DC B 105 -1.759 14.299 10.574 1.00 0.00 O ATOM 131 OP2 DC B 105 -0.139 12.639 9.495 1.00 0.00 O ATOM 132 O5' DC B 105 -0.800 14.750 8.306 1.00 0.00 O ATOM 133 C5' DC B 105 -1.186 16.128 8.242 1.00 0.00 C ATOM 134 C4' DC B 105 -1.358 16.630 6.797 1.00 0.00 C ATOM 135 O4' DC B 105 -0.085 16.738 6.111 1.00 0.00 O ATOM 136 C3' DC B 105 -2.251 15.690 5.973 1.00 0.00 C ATOM 137 O3' DC B 105 -3.411 16.384 5.512 1.00 0.00 O ATOM 138 C2' DC B 105 -1.414 15.254 4.795 1.00 0.00 C ATOM 139 C1' DC B 105 -0.168 16.119 4.803 1.00 0.00 C ATOM 140 N1 DC B 105 1.059 15.328 4.508 1.00 0.00 N ATOM 141 C2 DC B 105 1.825 15.676 3.396 1.00 0.00 C ATOM 142 O2 DC B 105 1.454 16.582 2.653 1.00 0.00 O ATOM 143 N3 DC B 105 2.977 14.992 3.165 1.00 0.00 N ATOM 144 C4 DC B 105 3.368 14.009 3.984 1.00 0.00 C ATOM 145 N4 DC B 105 4.512 13.372 3.741 1.00 0.00 N ATOM 146 C5 DC B 105 2.584 13.646 5.122 1.00 0.00 C ATOM 147 C6 DC B 105 1.443 14.329 5.339 1.00 0.00 C ATOM 0 H5' DC B 105 -0.434 16.735 8.746 1.00 0.00 H new ATOM 0 H5'' DC B 105 -2.122 16.264 8.784 1.00 0.00 H new ATOM 0 H4' DC B 105 -1.823 17.613 6.878 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.590 14.842 6.567 1.00 0.00 H new ATOM 0 H2' DC B 105 -1.153 14.199 4.875 1.00 0.00 H new ATOM 0 H2'' DC B 105 -1.965 15.377 3.862 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.235 16.874 4.020 1.00 0.00 H new ATOM 0 H41 DC B 105 4.819 12.621 4.359 1.00 0.00 H new ATOM 0 H42 DC B 105 5.081 13.635 2.936 1.00 0.00 H new ATOM 0 H5 DC B 105 2.895 12.852 5.785 1.00 0.00 H new ATOM 0 H6 DC B 105 0.825 14.076 6.188 1.00 0.00 H new ATOM 159 P DA B 106 -4.516 15.626 4.622 1.00 0.00 P ATOM 160 OP1 DA B 106 -5.816 16.306 4.817 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.398 14.173 4.879 1.00 0.00 O ATOM 162 O5' DA B 106 -4.022 15.909 3.111 1.00 0.00 O ATOM 163 C5' DA B 106 -3.922 17.255 2.630 1.00 0.00 C ATOM 164 C4' DA B 106 -3.435 17.322 1.173 1.00 0.00 C ATOM 165 O4' DA B 106 -2.032 16.975 1.045 1.00 0.00 O ATOM 166 C3' DA B 106 -4.241 16.383 0.272 1.00 0.00 C ATOM 167 O3' DA B 106 -4.876 17.123 -0.761 1.00 0.00 O ATOM 168 C2' DA B 106 -3.227 15.427 -0.332 1.00 0.00 C ATOM 169 C1' DA B 106 -1.846 15.965 0.019 1.00 0.00 C ATOM 170 N9 DA B 106 -0.971 14.894 0.512 1.00 0.00 N ATOM 171 C8 DA B 106 -1.176 14.117 1.586 1.00 0.00 C ATOM 172 N7 DA B 106 -0.215 13.297 1.879 1.00 0.00 N ATOM 173 C5 DA B 106 0.724 13.548 0.882 1.00 0.00 C ATOM 174 C6 DA B 106 1.984 13.000 0.609 1.00 0.00 C ATOM 175 N6 DA B 106 2.557 12.065 1.369 1.00 0.00 N ATOM 176 N1 DA B 106 2.640 13.467 -0.464 1.00 0.00 N ATOM 177 C2 DA B 106 2.098 14.416 -1.224 1.00 0.00 C ATOM 178 N3 DA B 106 0.913 15.010 -1.052 1.00 0.00 N ATOM 179 C4 DA B 106 0.273 14.519 0.033 1.00 0.00 C ATOM 0 H5' DA B 106 -3.236 17.815 3.266 1.00 0.00 H new ATOM 0 H5'' DA B 106 -4.896 17.739 2.707 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.578 18.356 0.861 1.00 0.00 H new ATOM 0 H3' DA B 106 -5.017 15.858 0.829 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.361 14.421 0.065 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.353 15.363 -1.413 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.368 16.386 -0.865 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.083 14.171 2.169 1.00 0.00 H new ATOM 0 H61 DA B 106 3.477 11.701 1.123 1.00 0.00 H new ATOM 0 H62 DA B 106 2.075 11.714 2.196 1.00 0.00 H new ATOM 0 H2 DA B 106 2.680 14.742 -2.073 1.00 0.00 H new ATOM 191 P DG B 107 -5.786 16.377 -1.849 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.724 17.364 -2.432 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.296 15.121 -1.259 1.00 0.00 O ATOM 194 O5' DG B 107 -4.683 16.012 -2.949 1.00 0.00 O ATOM 195 C5' DG B 107 -3.942 17.054 -3.573 1.00 0.00 C ATOM 196 C4' DG B 107 -2.932 16.503 -4.573 1.00 0.00 C ATOM 197 O4' DG B 107 -1.844 15.817 -3.894 1.00 0.00 O ATOM 198 C3' DG B 107 -3.583 15.507 -5.536 1.00 0.00 C ATOM 199 O3' DG B 107 -3.449 15.984 -6.875 1.00 0.00 O ATOM 200 C2' DG B 107 -2.822 14.215 -5.357 1.00 0.00 C ATOM 201 C1' DG B 107 -1.583 14.554 -4.550 1.00 0.00 C ATOM 202 N9 DG B 107 -1.228 13.477 -3.587 1.00 0.00 N ATOM 203 C8 DG B 107 -1.951 12.933 -2.550 1.00 0.00 C ATOM 204 N7 DG B 107 -1.362 11.981 -1.914 1.00 0.00 N ATOM 205 C5 DG B 107 -0.141 11.865 -2.551 1.00 0.00 C ATOM 206 C6 DG B 107 0.927 10.982 -2.279 1.00 0.00 C ATOM 207 O6 DG B 107 0.984 10.111 -1.419 1.00 0.00 O ATOM 208 N1 DG B 107 1.987 11.179 -3.146 1.00 0.00 N ATOM 209 C2 DG B 107 2.016 12.113 -4.158 1.00 0.00 C ATOM 210 N2 DG B 107 3.131 12.147 -4.889 1.00 0.00 N ATOM 211 N3 DG B 107 1.006 12.954 -4.422 1.00 0.00 N ATOM 212 C4 DG B 107 -0.039 12.772 -3.578 1.00 0.00 C ATOM 0 H5' DG B 107 -3.422 17.637 -2.813 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.626 17.733 -4.082 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.550 17.359 -5.129 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.646 15.373 -5.338 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.431 13.474 -4.840 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.551 13.787 -6.322 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.714 14.639 -5.202 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.940 13.279 -2.289 1.00 0.00 H new ATOM 0 H1 DG B 107 2.810 10.588 -3.027 1.00 0.00 H new ATOM 0 H21 DG B 107 3.219 12.815 -5.655 1.00 0.00 H new ATOM 0 H22 DG B 107 3.896 11.505 -4.682 1.00 0.00 H new ATOM 224 P DA B 108 -4.032 15.160 -8.125 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.464 16.131 -9.155 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.986 14.150 -7.616 1.00 0.00 O ATOM 227 O5' DA B 108 -2.729 14.393 -8.673 1.00 0.00 O ATOM 228 C5' DA B 108 -1.602 15.154 -9.112 1.00 0.00 C ATOM 229 C4' DA B 108 -0.454 14.266 -9.599 1.00 0.00 C ATOM 230 O4' DA B 108 0.172 13.556 -8.494 1.00 0.00 O ATOM 231 C3' DA B 108 -0.944 13.219 -10.605 1.00 0.00 C ATOM 232 O3' DA B 108 -0.158 13.285 -11.799 1.00 0.00 O ATOM 233 C2' DA B 108 -0.768 11.887 -9.918 1.00 0.00 C ATOM 234 C1' DA B 108 0.168 12.128 -8.750 1.00 0.00 C ATOM 235 N9 DA B 108 -0.240 11.368 -7.546 1.00 0.00 N ATOM 236 C8 DA B 108 -1.437 11.370 -6.886 1.00 0.00 C ATOM 237 N7 DA B 108 -1.468 10.670 -5.794 1.00 0.00 N ATOM 238 C5 DA B 108 -0.180 10.146 -5.720 1.00 0.00 C ATOM 239 C6 DA B 108 0.443 9.309 -4.793 1.00 0.00 C ATOM 240 N6 DA B 108 -0.153 8.884 -3.687 1.00 0.00 N ATOM 241 N1 DA B 108 1.720 8.968 -5.020 1.00 0.00 N ATOM 242 C2 DA B 108 2.357 9.429 -6.090 1.00 0.00 C ATOM 243 N3 DA B 108 1.865 10.237 -7.032 1.00 0.00 N ATOM 244 C4 DA B 108 0.574 10.558 -6.780 1.00 0.00 C ATOM 0 H5' DA B 108 -1.250 15.782 -8.294 1.00 0.00 H new ATOM 0 H5'' DA B 108 -1.909 15.821 -9.917 1.00 0.00 H new ATOM 0 H4' DA B 108 0.267 14.932 -10.074 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.982 13.380 -10.897 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.726 11.498 -9.574 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.352 11.149 -10.603 1.00 0.00 H new ATOM 0 H1' DA B 108 1.170 11.777 -8.996 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.296 11.916 -7.248 1.00 0.00 H new ATOM 0 H61 DA B 108 0.347 8.273 -3.041 1.00 0.00 H new ATOM 0 H62 DA B 108 -1.111 9.168 -3.482 1.00 0.00 H new ATOM 0 H2 DA B 108 3.384 9.117 -6.211 1.00 0.00 H new ATOM 256 P DT B 109 -0.439 12.301 -13.044 1.00 0.00 P ATOM 257 OP1 DT B 109 -0.151 13.040 -14.293 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.763 11.667 -12.846 1.00 0.00 O ATOM 259 O5' DT B 109 0.702 11.180 -12.843 1.00 0.00 O ATOM 260 C5' DT B 109 2.074 11.593 -12.862 1.00 0.00 C ATOM 261 C4' DT B 109 3.062 10.441 -12.633 1.00 0.00 C ATOM 262 O4' DT B 109 2.954 9.940 -11.277 1.00 0.00 O ATOM 263 C3' DT B 109 2.833 9.269 -13.598 1.00 0.00 C ATOM 264 O3' DT B 109 4.002 9.036 -14.387 1.00 0.00 O ATOM 265 C2' DT B 109 2.579 8.067 -12.722 1.00 0.00 C ATOM 266 C1' DT B 109 2.800 8.506 -11.284 1.00 0.00 C ATOM 267 N1 DT B 109 1.664 8.089 -10.422 1.00 0.00 N ATOM 268 C2 DT B 109 1.916 7.245 -9.349 1.00 0.00 C ATOM 269 O2 DT B 109 3.037 6.794 -9.120 1.00 0.00 O ATOM 270 N3 DT B 109 0.828 6.933 -8.556 1.00 0.00 N ATOM 271 C4 DT B 109 -0.466 7.386 -8.738 1.00 0.00 C ATOM 272 O4 DT B 109 -1.358 7.059 -7.970 1.00 0.00 O ATOM 273 C5 DT B 109 -0.636 8.253 -9.874 1.00 0.00 C ATOM 274 C7 DT B 109 -2.030 8.818 -10.166 1.00 0.00 C ATOM 275 C6 DT B 109 0.412 8.569 -10.668 1.00 0.00 C ATOM 0 H5' DT B 109 2.228 12.351 -12.094 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.291 12.062 -13.822 1.00 0.00 H new ATOM 0 H4' DT B 109 4.055 10.851 -12.814 1.00 0.00 H new ATOM 0 H3' DT B 109 2.006 9.472 -14.278 1.00 0.00 H new ATOM 0 H2' DT B 109 1.563 7.698 -12.860 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.253 7.251 -12.983 1.00 0.00 H new ATOM 0 H1' DT B 109 3.695 8.033 -10.881 1.00 0.00 H new ATOM 0 H3 DT B 109 0.995 6.312 -7.764 1.00 0.00 H new ATOM 0 H71 DT B 109 -1.935 9.791 -10.648 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.568 8.137 -10.826 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.581 8.928 -9.232 1.00 0.00 H new ATOM 0 H6 DT B 109 0.253 9.217 -11.517 1.00 0.00 H new ATOM 288 P DA B 110 3.991 7.989 -15.615 1.00 0.00 P ATOM 289 OP1 DA B 110 5.090 8.350 -16.537 1.00 0.00 O ATOM 290 OP2 DA B 110 2.605 7.886 -16.123 1.00 0.00 O ATOM 291 O5' DA B 110 4.371 6.594 -14.902 1.00 0.00 O ATOM 292 C5' DA B 110 5.613 6.457 -14.214 1.00 0.00 C ATOM 293 C4' DA B 110 5.790 5.064 -13.603 1.00 0.00 C ATOM 294 O4' DA B 110 4.826 4.885 -12.534 1.00 0.00 O ATOM 295 C3' DA B 110 5.552 3.933 -14.603 1.00 0.00 C ATOM 296 O3' DA B 110 6.570 2.943 -14.427 1.00 0.00 O ATOM 297 C2' DA B 110 4.202 3.355 -14.266 1.00 0.00 C ATOM 298 C1' DA B 110 3.859 3.851 -12.868 1.00 0.00 C ATOM 299 N9 DA B 110 2.473 4.376 -12.803 1.00 0.00 N ATOM 300 C8 DA B 110 1.829 5.241 -13.643 1.00 0.00 C ATOM 301 N7 DA B 110 0.593 5.498 -13.332 1.00 0.00 N ATOM 302 C5 DA B 110 0.392 4.737 -12.183 1.00 0.00 C ATOM 303 C6 DA B 110 -0.717 4.562 -11.342 1.00 0.00 C ATOM 304 N6 DA B 110 -1.884 5.174 -11.540 1.00 0.00 N ATOM 305 N1 DA B 110 -0.575 3.734 -10.291 1.00 0.00 N ATOM 306 C2 DA B 110 0.587 3.116 -10.077 1.00 0.00 C ATOM 307 N3 DA B 110 1.697 3.213 -10.808 1.00 0.00 N ATOM 308 C4 DA B 110 1.526 4.048 -11.855 1.00 0.00 C ATOM 0 H5' DA B 110 5.673 7.207 -13.426 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.432 6.655 -14.905 1.00 0.00 H new ATOM 0 H4' DA B 110 6.821 5.013 -13.254 1.00 0.00 H new ATOM 0 H3' DA B 110 5.582 4.279 -15.636 1.00 0.00 H new ATOM 0 H2' DA B 110 3.451 3.677 -14.987 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.227 2.266 -14.296 1.00 0.00 H new ATOM 0 H1' DA B 110 3.908 3.031 -12.152 1.00 0.00 H new ATOM 0 H8 DA B 110 2.312 5.680 -14.503 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.660 5.012 -10.898 1.00 0.00 H new ATOM 0 H62 DA B 110 -2.001 5.804 -12.333 1.00 0.00 H new ATOM 0 H2 DA B 110 0.634 2.465 -9.216 1.00 0.00 H new ATOM 320 P DA B 111 6.632 1.603 -15.316 1.00 0.00 P ATOM 321 OP1 DA B 111 8.052 1.241 -15.523 1.00 0.00 O ATOM 322 OP2 DA B 111 5.729 1.768 -16.476 1.00 0.00 O ATOM 323 O5' DA B 111 5.974 0.532 -14.307 1.00 0.00 O ATOM 324 C5' DA B 111 6.597 0.297 -13.040 1.00 0.00 C ATOM 325 C4' DA B 111 5.793 -0.661 -12.155 1.00 0.00 C ATOM 326 O4' DA B 111 4.514 -0.079 -11.815 1.00 0.00 O ATOM 327 C3' DA B 111 5.541 -2.013 -12.832 1.00 0.00 C ATOM 328 O3' DA B 111 6.105 -3.058 -12.038 1.00 0.00 O ATOM 329 C2' DA B 111 4.038 -2.165 -12.888 1.00 0.00 C ATOM 330 C1' DA B 111 3.444 -1.001 -12.103 1.00 0.00 C ATOM 331 N9 DA B 111 2.381 -0.334 -12.875 1.00 0.00 N ATOM 332 C8 DA B 111 2.456 0.246 -14.103 1.00 0.00 C ATOM 333 N7 DA B 111 1.348 0.770 -14.537 1.00 0.00 N ATOM 334 C5 DA B 111 0.454 0.512 -13.501 1.00 0.00 C ATOM 335 C6 DA B 111 -0.903 0.805 -13.326 1.00 0.00 C ATOM 336 N6 DA B 111 -1.628 1.464 -14.231 1.00 0.00 N ATOM 337 N1 DA B 111 -1.478 0.402 -12.179 1.00 0.00 N ATOM 338 C2 DA B 111 -0.762 -0.249 -11.260 1.00 0.00 C ATOM 339 N3 DA B 111 0.523 -0.577 -11.328 1.00 0.00 N ATOM 340 C4 DA B 111 1.074 -0.161 -12.485 1.00 0.00 C ATOM 0 H5' DA B 111 6.723 1.247 -12.520 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.594 -0.113 -13.200 1.00 0.00 H new ATOM 0 H4' DA B 111 6.392 -0.828 -11.260 1.00 0.00 H new ATOM 0 H3' DA B 111 5.990 -2.065 -13.824 1.00 0.00 H new ATOM 0 H2' DA B 111 3.687 -2.153 -13.920 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.730 -3.118 -12.457 1.00 0.00 H new ATOM 0 H1' DA B 111 2.992 -1.363 -11.179 1.00 0.00 H new ATOM 0 H8 DA B 111 3.371 0.270 -14.677 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.615 1.652 -14.055 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.196 1.780 -15.099 1.00 0.00 H new ATOM 0 H2 DA B 111 -1.285 -0.541 -10.362 1.00 0.00 H new ATOM 352 P DA B 112 6.064 -4.598 -12.506 1.00 0.00 P ATOM 353 OP1 DA B 112 7.168 -5.315 -11.830 1.00 0.00 O ATOM 354 OP2 DA B 112 5.953 -4.632 -13.982 1.00 0.00 O ATOM 355 O5' DA B 112 4.672 -5.113 -11.882 1.00 0.00 O ATOM 356 C5' DA B 112 4.464 -5.065 -10.472 1.00 0.00 C ATOM 357 C4' DA B 112 3.061 -5.535 -10.074 1.00 0.00 C ATOM 358 O4' DA B 112 2.078 -4.581 -10.560 1.00 0.00 O ATOM 359 C3' DA B 112 2.696 -6.901 -10.674 1.00 0.00 C ATOM 360 O3' DA B 112 2.158 -7.752 -9.648 1.00 0.00 O ATOM 361 C2' DA B 112 1.654 -6.624 -11.724 1.00 0.00 C ATOM 362 C1' DA B 112 1.124 -5.231 -11.436 1.00 0.00 C ATOM 363 N9 DA B 112 0.919 -4.466 -12.686 1.00 0.00 N ATOM 364 C8 DA B 112 1.774 -4.255 -13.730 1.00 0.00 C ATOM 365 N7 DA B 112 1.306 -3.509 -14.684 1.00 0.00 N ATOM 366 C5 DA B 112 0.024 -3.202 -14.242 1.00 0.00 C ATOM 367 C6 DA B 112 -1.009 -2.442 -14.795 1.00 0.00 C ATOM 368 N6 DA B 112 -0.903 -1.806 -15.961 1.00 0.00 N ATOM 369 N1 DA B 112 -2.150 -2.349 -14.093 1.00 0.00 N ATOM 370 C2 DA B 112 -2.266 -2.964 -12.915 1.00 0.00 C ATOM 371 N3 DA B 112 -1.351 -3.704 -12.303 1.00 0.00 N ATOM 372 C4 DA B 112 -0.220 -3.781 -13.029 1.00 0.00 C ATOM 0 H5' DA B 112 4.617 -4.045 -10.119 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.208 -5.689 -9.976 1.00 0.00 H new ATOM 0 H4' DA B 112 3.059 -5.616 -8.987 1.00 0.00 H new ATOM 0 H3' DA B 112 3.564 -7.405 -11.100 1.00 0.00 H new ATOM 0 H2' DA B 112 2.085 -6.678 -12.724 1.00 0.00 H new ATOM 0 H2'' DA B 112 0.853 -7.362 -11.682 1.00 0.00 H new ATOM 0 H1' DA B 112 0.148 -5.285 -10.953 1.00 0.00 H new ATOM 0 H8 DA B 112 2.767 -4.678 -13.760 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.689 -1.264 -16.320 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.036 -1.861 -16.495 1.00 0.00 H new ATOM 0 H2 DA B 112 -3.210 -2.846 -12.403 1.00 0.00 H new ATOM 384 P DC B 113 1.679 -9.261 -9.968 1.00 0.00 P ATOM 385 OP1 DC B 113 1.974 -10.097 -8.784 1.00 0.00 O ATOM 386 OP2 DC B 113 2.217 -9.644 -11.293 1.00 0.00 O ATOM 387 O5' DC B 113 0.068 -9.120 -10.096 1.00 0.00 O ATOM 388 C5' DC B 113 -0.686 -8.653 -8.968 1.00 0.00 C ATOM 389 C4' DC B 113 -2.203 -8.567 -9.224 1.00 0.00 C ATOM 390 O4' DC B 113 -2.526 -7.473 -10.120 1.00 0.00 O ATOM 391 C3' DC B 113 -2.793 -9.846 -9.827 1.00 0.00 C ATOM 392 O3' DC B 113 -3.842 -10.337 -8.986 1.00 0.00 O ATOM 393 C2' DC B 113 -3.356 -9.456 -11.168 1.00 0.00 C ATOM 394 C1' DC B 113 -3.348 -7.941 -11.220 1.00 0.00 C ATOM 395 N1 DC B 113 -2.809 -7.442 -12.508 1.00 0.00 N ATOM 396 C2 DC B 113 -3.618 -6.636 -13.305 1.00 0.00 C ATOM 397 O2 DC B 113 -4.794 -6.448 -12.997 1.00 0.00 O ATOM 398 N3 DC B 113 -3.076 -6.083 -14.423 1.00 0.00 N ATOM 399 C4 DC B 113 -1.796 -6.305 -14.748 1.00 0.00 C ATOM 400 N4 DC B 113 -1.299 -5.742 -15.850 1.00 0.00 N ATOM 401 C5 DC B 113 -0.963 -7.137 -13.932 1.00 0.00 C ATOM 402 C6 DC B 113 -1.518 -7.688 -12.834 1.00 0.00 C ATOM 0 H5' DC B 113 -0.319 -7.667 -8.681 1.00 0.00 H new ATOM 0 H5'' DC B 113 -0.507 -9.318 -8.123 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.642 -8.408 -8.239 1.00 0.00 H new ATOM 0 H3' DC B 113 -2.040 -10.629 -9.921 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.756 -9.874 -11.976 1.00 0.00 H new ATOM 0 H2'' DC B 113 -4.368 -9.842 -11.290 1.00 0.00 H new ATOM 0 H1' DC B 113 -4.368 -7.566 -11.136 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.326 -5.902 -16.110 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.892 -5.151 -16.433 1.00 0.00 H new ATOM 0 H5 DC B 113 0.071 -7.316 -14.187 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.924 -8.335 -12.205 1.00 0.00 H new ATOM 414 P DA B 114 -4.664 -11.677 -9.346 1.00 0.00 P ATOM 415 OP1 DA B 114 -5.205 -12.245 -8.092 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.827 -12.510 -10.237 1.00 0.00 O ATOM 417 O5' DA B 114 -5.896 -11.086 -10.217 1.00 0.00 O ATOM 418 C5' DA B 114 -6.791 -10.137 -9.620 1.00 0.00 C ATOM 419 C4' DA B 114 -7.901 -9.656 -10.576 1.00 0.00 C ATOM 420 O4' DA B 114 -7.342 -8.837 -11.638 1.00 0.00 O ATOM 421 C3' DA B 114 -8.661 -10.816 -11.230 1.00 0.00 C ATOM 422 O3' DA B 114 -10.064 -10.718 -10.963 1.00 0.00 O ATOM 423 C2' DA B 114 -8.432 -10.672 -12.712 1.00 0.00 C ATOM 424 C1' DA B 114 -7.753 -9.335 -12.935 1.00 0.00 C ATOM 425 N9 DA B 114 -6.606 -9.478 -13.842 1.00 0.00 N ATOM 426 C8 DA B 114 -5.497 -10.223 -13.665 1.00 0.00 C ATOM 427 N7 DA B 114 -4.605 -10.135 -14.603 1.00 0.00 N ATOM 428 C5 DA B 114 -5.187 -9.244 -15.500 1.00 0.00 C ATOM 429 C6 DA B 114 -4.759 -8.720 -16.721 1.00 0.00 C ATOM 430 N6 DA B 114 -3.577 -9.012 -17.260 1.00 0.00 N ATOM 431 N1 DA B 114 -5.584 -7.871 -17.354 1.00 0.00 N ATOM 432 C2 DA B 114 -6.762 -7.551 -16.816 1.00 0.00 C ATOM 433 N3 DA B 114 -7.262 -7.985 -15.660 1.00 0.00 N ATOM 434 C4 DA B 114 -6.412 -8.839 -15.049 1.00 0.00 C ATOM 0 H5' DA B 114 -6.219 -9.275 -9.277 1.00 0.00 H new ATOM 0 H5'' DA B 114 -7.250 -10.586 -8.739 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.595 -9.081 -9.963 1.00 0.00 H new ATOM 0 H3' DA B 114 -8.315 -11.775 -10.844 1.00 0.00 H new ATOM 0 H2' DA B 114 -7.811 -11.486 -13.086 1.00 0.00 H new ATOM 0 H2'' DA B 114 -9.377 -10.718 -13.253 1.00 0.00 H new ATOM 0 H1' DA B 114 -8.437 -8.630 -13.407 1.00 0.00 H new ATOM 0 H8 DA B 114 -5.360 -10.853 -12.798 1.00 0.00 H new ATOM 0 H61 DA B 114 -3.310 -8.603 -18.155 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.939 -9.645 -16.777 1.00 0.00 H new ATOM 0 H2 DA B 114 -7.378 -6.865 -17.379 1.00 0.00 H new ATOM 446 P DT B 115 -11.088 -11.822 -11.542 1.00 0.00 P ATOM 447 OP1 DT B 115 -12.292 -11.837 -10.682 1.00 0.00 O ATOM 448 OP2 DT B 115 -10.332 -13.073 -11.775 1.00 0.00 O ATOM 449 O5' DT B 115 -11.502 -11.205 -12.978 1.00 0.00 O ATOM 450 C5' DT B 115 -12.137 -9.924 -13.058 1.00 0.00 C ATOM 451 C4' DT B 115 -12.358 -9.463 -14.506 1.00 0.00 C ATOM 452 O4' DT B 115 -11.085 -9.152 -15.131 1.00 0.00 O ATOM 453 C3' DT B 115 -13.056 -10.526 -15.364 1.00 0.00 C ATOM 454 O3' DT B 115 -14.299 -10.027 -15.863 1.00 0.00 O ATOM 455 C2' DT B 115 -12.122 -10.795 -16.523 1.00 0.00 C ATOM 456 C1' DT B 115 -11.004 -9.761 -16.439 1.00 0.00 C ATOM 457 N1 DT B 115 -9.666 -10.388 -16.669 1.00 0.00 N ATOM 458 C2 DT B 115 -8.896 -9.930 -17.729 1.00 0.00 C ATOM 459 O2 DT B 115 -9.279 -9.030 -18.475 1.00 0.00 O ATOM 460 N3 DT B 115 -7.670 -10.545 -17.901 1.00 0.00 N ATOM 461 C4 DT B 115 -7.149 -11.561 -17.125 1.00 0.00 C ATOM 462 O4 DT B 115 -6.040 -12.030 -17.372 1.00 0.00 O ATOM 463 C5 DT B 115 -8.014 -11.978 -16.047 1.00 0.00 C ATOM 464 C7 DT B 115 -7.558 -13.124 -15.133 1.00 0.00 C ATOM 465 C6 DT B 115 -9.219 -11.390 -15.857 1.00 0.00 C ATOM 0 H5' DT B 115 -11.527 -9.187 -12.535 1.00 0.00 H new ATOM 0 H5'' DT B 115 -13.097 -9.966 -12.544 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.998 -8.582 -14.453 1.00 0.00 H new ATOM 0 H3' DT B 115 -13.267 -11.425 -14.785 1.00 0.00 H new ATOM 0 H2' DT B 115 -11.718 -11.806 -16.467 1.00 0.00 H new ATOM 0 H2'' DT B 115 -12.651 -10.715 -17.472 1.00 0.00 H new ATOM 0 H1' DT B 115 -11.122 -9.006 -17.217 1.00 0.00 H new ATOM 0 H3 DT B 115 -7.095 -10.216 -18.676 1.00 0.00 H new ATOM 0 H71 DT B 115 -6.922 -13.807 -15.696 1.00 0.00 H new ATOM 0 H72 DT B 115 -6.998 -12.717 -14.291 1.00 0.00 H new ATOM 0 H73 DT B 115 -8.430 -13.663 -14.762 1.00 0.00 H new ATOM 0 H6 DT B 115 -9.843 -11.723 -15.041 1.00 0.00 H new ATOM 478 P DT B 116 -15.335 -11.004 -16.618 1.00 0.00 P ATOM 479 OP1 DT B 116 -16.671 -10.367 -16.596 1.00 0.00 O ATOM 480 OP2 DT B 116 -15.160 -12.374 -16.085 1.00 0.00 O ATOM 481 O5' DT B 116 -14.788 -10.975 -18.130 1.00 0.00 O ATOM 482 C5' DT B 116 -14.920 -9.793 -18.917 1.00 0.00 C ATOM 483 C4' DT B 116 -14.315 -9.970 -20.311 1.00 0.00 C ATOM 484 O4' DT B 116 -12.886 -10.159 -20.203 1.00 0.00 O ATOM 485 C3' DT B 116 -14.902 -11.177 -21.057 1.00 0.00 C ATOM 486 O3' DT B 116 -15.634 -10.752 -22.209 1.00 0.00 O ATOM 487 C2' DT B 116 -13.712 -12.019 -21.474 1.00 0.00 C ATOM 488 C1' DT B 116 -12.460 -11.289 -20.990 1.00 0.00 C ATOM 489 N1 DT B 116 -11.591 -12.201 -20.191 1.00 0.00 N ATOM 490 C2 DT B 116 -10.298 -12.425 -20.640 1.00 0.00 C ATOM 491 O2 DT B 116 -9.859 -11.886 -21.654 1.00 0.00 O ATOM 492 N3 DT B 116 -9.532 -13.285 -19.884 1.00 0.00 N ATOM 493 C4 DT B 116 -9.925 -13.938 -18.733 1.00 0.00 C ATOM 494 O4 DT B 116 -9.147 -14.684 -18.141 1.00 0.00 O ATOM 495 C5 DT B 116 -11.284 -13.652 -18.332 1.00 0.00 C ATOM 496 C7 DT B 116 -11.849 -14.338 -17.084 1.00 0.00 C ATOM 497 C6 DT B 116 -12.060 -12.806 -19.057 1.00 0.00 C ATOM 0 H5' DT B 116 -14.429 -8.962 -18.410 1.00 0.00 H new ATOM 0 H5'' DT B 116 -15.975 -9.533 -19.008 1.00 0.00 H new ATOM 0 H4' DT B 116 -14.553 -9.068 -20.874 1.00 0.00 H new ATOM 0 H3' DT B 116 -15.595 -11.735 -20.428 1.00 0.00 H new ATOM 0 H2' DT B 116 -13.772 -13.015 -21.036 1.00 0.00 H new ATOM 0 H2'' DT B 116 -13.690 -12.147 -22.556 1.00 0.00 H new ATOM 0 HO3' DT B 116 -15.999 -11.535 -22.672 1.00 0.00 H new ATOM 0 H1' DT B 116 -11.868 -10.950 -21.840 1.00 0.00 H new ATOM 0 H3 DT B 116 -8.580 -13.456 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0.00 H new ATOM 542 P DA C 118 0.073 -10.231 -25.894 1.00 0.00 P ATOM 543 OP1 DA C 118 0.846 -9.829 -27.090 1.00 0.00 O ATOM 544 OP2 DA C 118 0.753 -10.377 -24.589 1.00 0.00 O ATOM 545 O5' DA C 118 -1.146 -9.194 -25.712 1.00 0.00 O ATOM 546 C5' DA C 118 -2.043 -8.968 -26.800 1.00 0.00 C ATOM 547 C4' DA C 118 -3.141 -7.954 -26.458 1.00 0.00 C ATOM 548 O4' DA C 118 -4.025 -8.504 -25.440 1.00 0.00 O ATOM 549 C3' DA C 118 -2.582 -6.638 -25.905 1.00 0.00 C ATOM 550 O3' DA C 118 -3.133 -5.541 -26.634 1.00 0.00 O ATOM 551 C2' DA C 118 -3.021 -6.557 -24.467 1.00 0.00 C ATOM 552 C1' DA C 118 -4.030 -7.669 -24.250 1.00 0.00 C ATOM 553 N9 DA C 118 -3.707 -8.449 -23.042 1.00 0.00 N ATOM 554 C8 DA C 118 -2.531 -9.020 -22.694 1.00 0.00 C ATOM 555 N7 DA C 118 -2.539 -9.682 -21.577 1.00 0.00 N ATOM 556 C5 DA C 118 -3.851 -9.528 -21.135 1.00 0.00 C ATOM 557 C6 DA C 118 -4.527 -9.984 -19.999 1.00 0.00 C ATOM 558 N6 DA C 118 -3.954 -10.749 -19.068 1.00 0.00 N ATOM 559 N1 DA C 118 -5.821 -9.641 -19.872 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0.00 H new ATOM 0 H3' DG C 120 -9.411 0.962 -20.153 1.00 0.00 H new ATOM 0 H2' DG C 120 -7.718 0.295 -18.701 1.00 0.00 H new ATOM 0 H2'' DG C 120 -8.999 0.025 -17.536 1.00 0.00 H new ATOM 0 H1' DG C 120 -8.885 -2.264 -17.772 1.00 0.00 H new ATOM 0 H8 DG C 120 -6.030 -0.794 -19.912 1.00 0.00 H new ATOM 0 H1 DG C 120 -4.352 -5.192 -15.575 1.00 0.00 H new ATOM 0 H21 DG C 120 -7.774 -5.417 -14.960 1.00 0.00 H new ATOM 0 H22 DG C 120 -6.146 -5.983 -14.571 1.00 0.00 H new ATOM 639 P DT C 121 -11.128 1.543 -17.938 1.00 0.00 P ATOM 640 OP1 DT C 121 -12.569 1.874 -17.896 1.00 0.00 O ATOM 641 OP2 DT C 121 -10.135 2.586 -18.282 1.00 0.00 O ATOM 642 O5' DT C 121 -10.716 0.886 -16.527 1.00 0.00 O ATOM 643 C5' DT C 121 -11.442 -0.238 -16.032 1.00 0.00 C ATOM 644 C4' DT C 121 -10.779 -0.876 -14.807 1.00 0.00 C ATOM 645 O4' DT C 121 -9.547 -1.543 -15.174 1.00 0.00 O ATOM 646 C3' DT C 121 -10.443 0.152 -13.718 1.00 0.00 C ATOM 647 O3' DT C 121 -11.252 -0.087 -12.568 1.00 0.00 O ATOM 648 C2' DT C 121 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H3 DT C 121 -4.248 -2.623 -14.541 1.00 0.00 H new ATOM 0 H71 DT C 121 -6.205 1.337 -17.612 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.004 1.972 -16.463 1.00 0.00 H new ATOM 0 H73 DT C 121 -4.510 0.806 -17.713 1.00 0.00 H new ATOM 0 H6 DT C 121 -7.627 0.504 -15.897 1.00 0.00 H new ATOM 671 P DT C 122 -11.282 0.952 -11.345 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.557 0.762 -10.616 1.00 0.00 O ATOM 673 OP2 DT C 122 -10.912 2.289 -11.856 1.00 0.00 O ATOM 674 O5' DT C 122 -10.091 0.415 -10.411 1.00 0.00 O ATOM 675 C5' DT C 122 -10.162 -0.890 -9.837 1.00 0.00 C ATOM 676 C4' DT C 122 -8.932 -1.195 -8.991 1.00 0.00 C ATOM 677 O4' DT C 122 -7.764 -1.371 -9.828 1.00 0.00 O ATOM 678 C3' DT C 122 -8.641 -0.062 -7.996 1.00 0.00 C ATOM 679 O3' DT C 122 -8.871 -0.478 -6.656 1.00 0.00 O ATOM 680 C2' DT C 122 -7.185 0.284 -8.191 1.00 0.00 C ATOM 681 C1' DT C 122 -6.658 -0.603 -9.312 1.00 0.00 C ATOM 682 N1 DT C 122 -6.030 0.221 -10.384 1.00 0.00 N ATOM 683 C2 DT C 122 -4.688 0.009 -10.672 1.00 0.00 C ATOM 684 O2 DT C 122 -4.019 -0.829 -10.074 1.00 0.00 O ATOM 685 N3 DT C 122 -4.146 0.794 -11.670 1.00 0.00 N ATOM 686 C4 DT C 122 -4.811 1.760 -12.401 1.00 0.00 C ATOM 687 O4 DT C 122 -4.223 2.411 -13.261 1.00 0.00 O ATOM 688 C5 DT C 122 -6.203 1.914 -12.044 1.00 0.00 C ATOM 689 C7 DT C 122 -7.046 2.952 -12.789 1.00 0.00 C ATOM 690 C6 DT C 122 -6.760 1.158 -11.067 1.00 0.00 C ATOM 0 H5' DT C 122 -10.253 -1.633 -10.629 1.00 0.00 H new ATOM 0 H5'' DT C 122 -11.058 -0.970 -9.221 1.00 0.00 H new ATOM 0 H4' DT C 122 -9.145 -2.114 -8.445 1.00 0.00 H new ATOM 0 H3' DT C 122 -9.295 0.792 -8.172 1.00 0.00 H new ATOM 0 H2' DT C 122 -7.071 1.337 -8.448 1.00 0.00 H new ATOM 0 H2'' DT C 122 -6.623 0.117 -7.272 1.00 0.00 H new ATOM 0 H1' DT C 122 -5.888 -1.274 -8.932 1.00 0.00 H new ATOM 0 H3 DT C 122 -3.161 0.647 -11.889 1.00 0.00 H new ATOM 0 H71 DT C 122 -8.084 2.620 -12.825 1.00 0.00 H new ATOM 0 H72 DT C 122 -6.989 3.908 -12.269 1.00 0.00 H new ATOM 0 H73 DT C 122 -6.667 3.068 -13.804 1.00 0.00 H new ATOM 0 H6 DT C 122 -7.802 1.297 -10.821 1.00 0.00 H new ATOM 703 P DT C 123 -8.633 0.540 -5.431 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.473 0.113 -4.290 1.00 0.00 O ATOM 705 OP2 DT C 123 -8.729 1.922 -5.950 1.00 0.00 O ATOM 706 O5' DT C 123 -7.094 0.270 -5.069 1.00 0.00 O ATOM 707 C5' DT C 123 -6.693 -1.035 -4.672 1.00 0.00 C ATOM 708 C4' DT C 123 -5.201 -1.108 -4.368 1.00 0.00 C ATOM 709 O4' DT C 123 -4.423 -0.742 -5.540 1.00 0.00 O ATOM 710 C3' DT C 123 -4.784 -0.161 -3.243 1.00 0.00 C ATOM 711 O3' DT C 123 -4.011 -0.910 -2.298 1.00 0.00 O ATOM 712 C2' DT C 123 -3.959 0.910 -3.885 1.00 0.00 C ATOM 713 C1' DT C 123 -3.535 0.362 -5.231 1.00 0.00 C ATOM 714 N1 DT C 123 -3.562 1.403 -6.304 1.00 0.00 N ATOM 715 C2 DT C 123 -2.377 1.664 -6.989 1.00 0.00 C ATOM 716 O2 DT C 123 -1.327 1.088 -6.711 1.00 0.00 O ATOM 717 N3 DT C 123 -2.442 2.608 -7.997 1.00 0.00 N ATOM 718 C4 DT C 123 -3.567 3.309 -8.382 1.00 0.00 C ATOM 719 O4 DT C 123 -3.509 4.131 -9.295 1.00 0.00 O ATOM 720 C5 DT C 123 -4.755 2.985 -7.626 1.00 0.00 C ATOM 721 C7 DT C 123 -6.057 3.713 -7.967 1.00 0.00 C ATOM 722 C6 DT C 123 -4.722 2.061 -6.629 1.00 0.00 C ATOM 0 H5' DT C 123 -6.937 -1.745 -5.462 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.258 -1.335 -3.789 1.00 0.00 H new ATOM 0 H4' DT C 123 -5.010 -2.138 -4.066 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.632 0.281 -2.720 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.535 1.828 -4.002 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.091 1.154 -3.272 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.500 0.024 -5.184 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.579 2.805 -8.503 1.00 0.00 H new ATOM 0 H71 DT C 123 -5.828 4.709 -8.345 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.599 3.152 -8.728 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.672 3.797 -7.071 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.627 1.840 -6.082 1.00 0.00 H new ATOM 735 P DA C 124 -3.378 -0.274 -0.961 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.431 -1.294 0.109 1.00 0.00 O ATOM 737 OP2 DA C 124 -3.994 1.055 -0.743 1.00 0.00 O ATOM 738 O5' DA C 124 -1.827 -0.045 -1.372 1.00 0.00 O ATOM 739 C5' DA C 124 -1.037 -1.182 -1.759 1.00 0.00 C ATOM 740 C4' DA C 124 0.436 -0.849 -2.042 1.00 0.00 C ATOM 741 O4' DA C 124 0.545 -0.059 -3.251 1.00 0.00 O ATOM 742 C3' DA C 124 1.066 -0.040 -0.904 1.00 0.00 C ATOM 743 O3' DA C 124 2.339 -0.580 -0.537 1.00 0.00 O ATOM 744 C2' DA C 124 1.244 1.352 -1.450 1.00 0.00 C ATOM 745 C1' DA C 124 1.080 1.253 -2.961 1.00 0.00 C ATOM 746 N9 DA C 124 0.187 2.299 -3.476 1.00 0.00 N ATOM 747 C8 DA C 124 -1.046 2.638 -3.044 1.00 0.00 C ATOM 748 N7 DA C 124 -1.627 3.590 -3.702 1.00 0.00 N ATOM 749 C5 DA C 124 -0.682 3.918 -4.666 1.00 0.00 C ATOM 750 C6 DA C 124 -0.678 4.857 -5.691 1.00 0.00 C ATOM 751 N6 DA C 124 -1.702 5.673 -5.915 1.00 0.00 N ATOM 752 N1 DA C 124 0.419 4.925 -6.468 1.00 0.00 N ATOM 753 C2 DA C 124 1.452 4.110 -6.241 1.00 0.00 C ATOM 754 N3 DA C 124 1.546 3.180 -5.294 1.00 0.00 N ATOM 755 C4 DA C 124 0.431 3.141 -4.536 1.00 0.00 C ATOM 0 H5' DA C 124 -1.476 -1.631 -2.650 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.085 -1.931 -0.969 1.00 0.00 H new ATOM 0 H4' DA C 124 0.960 -1.799 -2.144 1.00 0.00 H new ATOM 0 H3' DA C 124 0.439 -0.060 -0.012 1.00 0.00 H new ATOM 0 H2' DA C 124 0.506 2.032 -1.024 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.227 1.746 -1.192 1.00 0.00 H new ATOM 0 H1' DA C 124 2.044 1.397 -3.449 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.517 2.148 -2.205 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.659 6.348 -6.678 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.532 5.624 -5.324 1.00 0.00 H new ATOM 0 H2 DA C 124 2.303 4.217 -6.897 1.00 0.00 H new ATOM 767 P DT C 125 3.201 0.103 0.644 1.00 0.00 P ATOM 768 OP1 DT C 125 4.110 -0.920 1.204 1.00 0.00 O ATOM 769 OP2 DT C 125 2.268 0.831 1.534 1.00 0.00 O ATOM 770 O5' DT C 125 4.091 1.190 -0.148 1.00 0.00 O ATOM 771 C5' DT C 125 5.016 0.747 -1.141 1.00 0.00 C ATOM 772 C4' DT C 125 5.680 1.900 -1.903 1.00 0.00 C ATOM 773 O4' DT C 125 4.722 2.554 -2.772 1.00 0.00 O ATOM 774 C3' DT C 125 6.269 2.981 -0.982 1.00 0.00 C ATOM 775 O3' DT C 125 7.656 3.176 -1.291 1.00 0.00 O ATOM 776 C2' DT C 125 5.486 4.232 -1.282 1.00 0.00 C ATOM 777 C1' DT C 125 4.852 3.983 -2.640 1.00 0.00 C ATOM 778 N1 DT C 125 3.540 4.677 -2.833 1.00 0.00 N ATOM 779 C2 DT C 125 3.380 5.433 -3.991 1.00 0.00 C ATOM 780 O2 DT C 125 4.290 5.579 -4.805 1.00 0.00 O ATOM 781 N3 DT C 125 2.141 6.016 -4.177 1.00 0.00 N ATOM 782 C4 DT C 125 1.060 5.912 -3.322 1.00 0.00 C ATOM 783 O4 DT C 125 -0.021 6.411 -3.612 1.00 0.00 O ATOM 784 C5 DT C 125 1.311 5.128 -2.146 1.00 0.00 C ATOM 785 C7 DT C 125 0.201 5.002 -1.104 1.00 0.00 C ATOM 786 C6 DT C 125 2.510 4.541 -1.936 1.00 0.00 C ATOM 0 H5' DT C 125 4.497 0.102 -1.850 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.788 0.142 -0.666 1.00 0.00 H new ATOM 0 H4' DT C 125 6.491 1.441 -2.469 1.00 0.00 H new ATOM 0 H3' DT C 125 6.203 2.707 0.071 1.00 0.00 H new ATOM 0 H2' DT C 125 4.728 4.415 -0.520 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.135 5.108 -1.304 1.00 0.00 H new ATOM 0 H1' DT C 125 5.488 4.404 -3.419 1.00 0.00 H new ATOM 0 H3 DT C 125 2.013 6.573 -5.022 1.00 0.00 H new ATOM 0 H71 DT C 125 0.286 4.041 -0.596 1.00 0.00 H new ATOM 0 H72 DT C 125 0.293 5.807 -0.375 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.769 5.067 -1.596 1.00 0.00 H new ATOM 0 H6 DT C 125 2.661 3.952 -1.043 1.00 0.00 H new ATOM 799 P DC C 126 8.555 4.252 -0.497 1.00 0.00 P ATOM 800 OP1 DC C 126 9.929 3.714 -0.379 1.00 0.00 O ATOM 801 OP2 DC C 126 7.817 4.667 0.716 1.00 0.00 O ATOM 802 O5' DC C 126 8.577 5.502 -1.522 1.00 0.00 O ATOM 803 C5' DC C 126 9.132 5.326 -2.837 1.00 0.00 C ATOM 804 C4' DC C 126 9.076 6.603 -3.692 1.00 0.00 C ATOM 805 O4' DC C 126 7.714 6.901 -4.087 1.00 0.00 O ATOM 806 C3' DC C 126 9.639 7.820 -2.947 1.00 0.00 C ATOM 807 O3' DC C 126 10.803 8.331 -3.591 1.00 0.00 O ATOM 808 C2' DC C 126 8.546 8.868 -2.994 1.00 0.00 C ATOM 809 C1' DC C 126 7.370 8.267 -3.761 1.00 0.00 C ATOM 810 N1 DC C 126 6.138 8.307 -2.934 1.00 0.00 N ATOM 811 C2 DC C 126 5.025 8.997 -3.414 1.00 0.00 C ATOM 812 O2 DC C 126 5.081 9.604 -4.484 1.00 0.00 O ATOM 813 N3 DC C 126 3.895 8.992 -2.662 1.00 0.00 N ATOM 814 C4 DC C 126 3.851 8.347 -1.492 1.00 0.00 C ATOM 815 N4 DC C 126 2.723 8.351 -0.796 1.00 0.00 N ATOM 816 C5 DC C 126 4.989 7.647 -0.993 1.00 0.00 C ATOM 817 C6 DC C 126 6.102 7.654 -1.742 1.00 0.00 C ATOM 0 H5' DC C 126 8.592 4.529 -3.349 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.169 5.002 -2.747 1.00 0.00 H new ATOM 0 H4' DC C 126 9.690 6.410 -4.572 1.00 0.00 H new ATOM 0 H3' DC C 126 9.924 7.550 -1.930 1.00 0.00 H new ATOM 0 H2' DC C 126 8.242 9.151 -1.986 1.00 0.00 H new ATOM 0 H2'' DC C 126 8.903 9.773 -3.486 1.00 0.00 H new ATOM 0 H1' DC C 126 7.176 8.838 -4.669 1.00 0.00 H new ATOM 0 H41 DC C 126 2.674 7.863 0.098 1.00 0.00 H new ATOM 0 H42 DC C 126 1.904 8.842 -1.155 1.00 0.00 H new ATOM 0 H5 DC C 126 4.956 7.130 -0.046 1.00 0.00 H new ATOM 0 H6 DC C 126 6.982 7.134 -1.393 1.00 0.00 H new ATOM 829 P DT C 127 11.695 9.451 -2.855 1.00 0.00 P ATOM 830 OP1 DT C 127 13.040 9.455 -3.470 1.00 0.00 O ATOM 831 OP2 DT C 127 11.551 9.272 -1.393 1.00 0.00 O ATOM 832 O5' DT C 127 10.947 10.813 -3.269 1.00 0.00 O ATOM 833 C5' DT C 127 10.848 11.195 -4.639 1.00 0.00 C ATOM 834 C4' DT C 127 10.083 12.510 -4.802 1.00 0.00 C ATOM 835 O4' DT C 127 8.683 12.308 -4.485 1.00 0.00 O ATOM 836 C3' DT C 127 10.624 13.611 -3.881 1.00 0.00 C ATOM 837 O3' DT C 127 11.108 14.705 -4.666 1.00 0.00 O ATOM 838 C2' DT C 127 9.449 14.046 -3.029 1.00 0.00 C ATOM 839 C1' DT C 127 8.220 13.325 -3.573 1.00 0.00 C ATOM 840 N1 DT C 127 7.397 12.734 -2.468 1.00 0.00 N ATOM 841 C2 DT C 127 6.082 13.168 -2.340 1.00 0.00 C ATOM 842 O2 DT C 127 5.600 14.015 -3.091 1.00 0.00 O ATOM 843 N3 DT C 127 5.345 12.602 -1.318 1.00 0.00 N ATOM 844 C4 DT C 127 5.791 11.654 -0.419 1.00 0.00 C ATOM 845 O4 DT C 127 5.041 11.218 0.452 1.00 0.00 O ATOM 846 C5 DT C 127 7.164 11.253 -0.613 1.00 0.00 C ATOM 847 C7 DT C 127 7.763 10.211 0.342 1.00 0.00 C ATOM 848 C6 DT C 127 7.916 11.790 -1.611 1.00 0.00 C ATOM 0 H5' DT C 127 10.345 10.408 -5.201 1.00 0.00 H new ATOM 0 H5'' DT C 127 11.847 11.300 -5.061 1.00 0.00 H new ATOM 0 H4' DT C 127 10.210 12.825 -5.838 1.00 0.00 H new ATOM 0 H3' DT C 127 11.453 13.261 -3.266 1.00 0.00 H new ATOM 0 H2' DT C 127 9.615 13.791 -1.982 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.316 15.127 -3.077 1.00 0.00 H new ATOM 0 H1' DT C 127 7.570 14.030 -4.092 1.00 0.00 H new ATOM 0 H3 DT C 127 4.379 12.914 -1.218 1.00 0.00 H new ATOM 0 H71 DT C 127 7.285 10.294 1.318 1.00 0.00 H new ATOM 0 H72 DT C 127 7.597 9.211 -0.059 1.00 0.00 H new ATOM 0 H73 DT C 127 8.834 10.386 0.447 1.00 0.00 H new ATOM 0 H6 DT C 127 8.940 11.470 -1.733 1.00 0.00 H new ATOM 861 P DG C 128 11.747 16.015 -3.981 1.00 0.00 P ATOM 862 OP1 DG C 128 12.660 16.650 -4.958 1.00 0.00 O ATOM 863 OP2 DG C 128 12.254 15.632 -2.644 1.00 0.00 O ATOM 864 O5' DG C 128 10.482 16.990 -3.774 1.00 0.00 O ATOM 865 C5' DG C 128 9.720 17.422 -4.902 1.00 0.00 C ATOM 866 C4' DG C 128 8.565 18.339 -4.494 1.00 0.00 C ATOM 867 O4' DG C 128 7.548 17.586 -3.798 1.00 0.00 O ATOM 868 C3' DG C 128 9.040 19.471 -3.572 1.00 0.00 C ATOM 869 O3' DG C 128 8.766 20.731 -4.183 1.00 0.00 O ATOM 870 C2' DG C 128 8.251 19.316 -2.290 1.00 0.00 C ATOM 871 C1' DG C 128 7.249 18.187 -2.520 1.00 0.00 C ATOM 872 N9 DG C 128 7.329 17.184 -1.448 1.00 0.00 N ATOM 873 C8 DG C 128 8.413 16.498 -1.017 1.00 0.00 C ATOM 874 N7 DG C 128 8.192 15.651 -0.055 1.00 0.00 N ATOM 875 C5 DG C 128 6.827 15.793 0.181 1.00 0.00 C ATOM 876 C6 DG C 128 5.991 15.134 1.123 1.00 0.00 C ATOM 877 O6 DG C 128 6.300 14.278 1.950 1.00 0.00 O ATOM 878 N1 DG C 128 4.677 15.575 1.032 1.00 0.00 N ATOM 879 C2 DG C 128 4.220 16.529 0.147 1.00 0.00 C ATOM 880 N2 DG C 128 2.923 16.825 0.214 1.00 0.00 N ATOM 881 N3 DG C 128 5.003 17.150 -0.742 1.00 0.00 N ATOM 882 C4 DG C 128 6.288 16.735 -0.667 1.00 0.00 C ATOM 0 H5' DG C 128 9.325 16.553 -5.427 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.371 17.948 -5.600 1.00 0.00 H new ATOM 0 H4' DG C 128 8.161 18.770 -5.410 1.00 0.00 H new ATOM 0 H3' DG C 128 10.112 19.426 -3.382 1.00 0.00 H new ATOM 0 H2' DG C 128 8.912 19.082 -1.456 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.737 20.244 -2.038 1.00 0.00 H new ATOM 0 H1' DG C 128 6.234 18.584 -2.514 1.00 0.00 H new ATOM 0 H8 DG C 128 9.395 16.644 -1.443 1.00 0.00 H new ATOM 0 H1 DG C 128 3.997 15.161 1.670 1.00 0.00 H new ATOM 0 H21 DG C 128 2.526 17.523 -0.415 1.00 0.00 H new ATOM 0 H22 DG C 128 2.327 16.354 0.894 1.00 0.00 H new ATOM 894 P DC C 129 9.339 22.109 -3.581 1.00 0.00 P ATOM 895 OP1 DC C 129 9.419 23.103 -4.675 1.00 0.00 O ATOM 896 OP2 DC C 129 10.549 21.791 -2.790 1.00 0.00 O ATOM 897 O5' DC C 129 8.187 22.574 -2.560 1.00 0.00 O ATOM 898 C5' DC C 129 6.867 22.822 -3.041 1.00 0.00 C ATOM 899 C4' DC C 129 5.930 23.271 -1.917 1.00 0.00 C ATOM 900 O4' DC C 129 5.681 22.180 -0.995 1.00 0.00 O ATOM 901 C3' DC C 129 6.549 24.425 -1.120 1.00 0.00 C ATOM 902 O3' DC C 129 5.617 25.505 -1.018 1.00 0.00 O ATOM 903 C2' DC C 129 6.841 23.869 0.250 1.00 0.00 C ATOM 904 C1' DC C 129 6.110 22.534 0.342 1.00 0.00 C ATOM 905 N1 DC C 129 6.952 21.445 0.936 1.00 0.00 N ATOM 906 C2 DC C 129 6.415 20.726 2.007 1.00 0.00 C ATOM 907 O2 DC C 129 5.313 21.033 2.459 1.00 0.00 O ATOM 908 N3 DC C 129 7.131 19.695 2.527 1.00 0.00 N ATOM 909 C4 DC C 129 8.328 19.369 2.031 1.00 0.00 C ATOM 910 N4 DC C 129 8.993 18.337 2.555 1.00 0.00 N ATOM 911 C5 DC C 129 8.895 20.096 0.938 1.00 0.00 C ATOM 912 C6 DC C 129 8.181 21.120 0.420 1.00 0.00 C ATOM 0 H5' DC C 129 6.473 21.918 -3.504 1.00 0.00 H new ATOM 0 H5'' DC C 129 6.900 23.588 -3.815 1.00 0.00 H new ATOM 0 H4' DC C 129 4.999 23.594 -2.382 1.00 0.00 H new ATOM 0 H3' DC C 129 7.449 24.808 -1.601 1.00 0.00 H new ATOM 0 H2' DC C 129 7.913 23.735 0.393 1.00 0.00 H new ATOM 0 H2'' DC C 129 6.499 24.553 1.027 1.00 0.00 H new ATOM 0 H1' DC C 129 5.258 22.643 1.014 1.00 0.00 H new ATOM 0 H41 DC C 129 9.908 18.079 2.185 1.00 0.00 H new ATOM 0 H42 DC C 129 8.586 17.807 3.326 1.00 0.00 H new ATOM 0 H5 DC C 129 9.864 19.835 0.539 1.00 0.00 H new ATOM 0 H6 DC C 129 8.581 21.687 -0.407 1.00 0.00 H new ATOM 924 P DA C 130 6.024 26.872 -0.273 1.00 0.00 P ATOM 925 OP1 DA C 130 5.176 27.956 -0.815 1.00 0.00 O ATOM 926 OP2 DA C 130 7.497 26.998 -0.330 1.00 0.00 O ATOM 927 O5' DA C 130 5.603 26.638 1.269 1.00 0.00 O ATOM 928 C5' DA C 130 4.226 26.483 1.632 1.00 0.00 C ATOM 929 C4' DA C 130 4.046 26.272 3.144 1.00 0.00 C ATOM 930 O4' DA C 130 4.536 24.970 3.567 1.00 0.00 O ATOM 931 C3' DA C 130 4.808 27.340 3.945 1.00 0.00 C ATOM 932 O3' DA C 130 3.946 27.968 4.896 1.00 0.00 O ATOM 933 C2' DA C 130 5.908 26.587 4.658 1.00 0.00 C ATOM 934 C1' DA C 130 5.482 25.132 4.653 1.00 0.00 C ATOM 935 N9 DA C 130 6.631 24.220 4.517 1.00 0.00 N ATOM 936 C8 DA C 130 7.611 24.225 3.583 1.00 0.00 C ATOM 937 N7 DA C 130 8.494 23.279 3.695 1.00 0.00 N ATOM 938 C5 DA C 130 8.057 22.578 4.815 1.00 0.00 C ATOM 939 C6 DA C 130 8.553 21.453 5.478 1.00 0.00 C ATOM 940 N6 DA C 130 9.653 20.813 5.095 1.00 0.00 N ATOM 941 N1 DA C 130 7.877 21.018 6.555 1.00 0.00 N ATOM 942 C2 DA C 130 6.778 21.655 6.959 1.00 0.00 C ATOM 943 N3 DA C 130 6.223 22.729 6.404 1.00 0.00 N ATOM 944 C4 DA C 130 6.923 23.141 5.324 1.00 0.00 C ATOM 0 H5' DA C 130 3.804 25.634 1.095 1.00 0.00 H new ATOM 0 H5'' DA C 130 3.668 27.366 1.321 1.00 0.00 H new ATOM 0 H4' DA C 130 2.976 26.343 3.337 1.00 0.00 H new ATOM 0 H3' DA C 130 5.197 28.128 3.300 1.00 0.00 H new ATOM 0 H2' DA C 130 6.864 26.717 4.150 1.00 0.00 H new ATOM 0 H2'' DA C 130 6.036 26.954 5.676 1.00 0.00 H new ATOM 0 H1' DA C 130 5.019 24.872 5.605 1.00 0.00 H new ATOM 0 H8 DA C 130 7.656 24.965 2.798 1.00 0.00 H new ATOM 0 H61 DA C 130 9.974 19.995 5.614 1.00 0.00 H new ATOM 0 H62 DA C 130 10.176 21.139 4.283 1.00 0.00 H new ATOM 0 H2 DA C 130 6.284 21.255 7.832 1.00 0.00 H new ATOM 956 P DA C 131 4.509 29.127 5.861 1.00 0.00 P ATOM 957 OP1 DA C 131 3.413 30.085 6.123 1.00 0.00 O ATOM 958 OP2 DA C 131 5.794 29.608 5.306 1.00 0.00 O ATOM 959 O5' DA C 131 4.817 28.326 7.223 1.00 0.00 O ATOM 960 C5' DA C 131 3.758 27.657 7.912 1.00 0.00 C ATOM 961 C4' DA C 131 4.249 26.956 9.183 1.00 0.00 C ATOM 962 O4' DA C 131 5.058 25.793 8.876 1.00 0.00 O ATOM 963 C3' DA C 131 5.083 27.895 10.058 1.00 0.00 C ATOM 964 O3' DA C 131 4.426 28.152 11.296 1.00 0.00 O ATOM 965 C2' DA C 131 6.385 27.171 10.309 1.00 0.00 C ATOM 966 C1' DA C 131 6.265 25.796 9.676 1.00 0.00 C ATOM 967 N9 DA C 131 7.442 25.475 8.853 1.00 0.00 N ATOM 968 C8 DA C 131 7.922 26.142 7.781 1.00 0.00 C ATOM 969 N7 DA C 131 8.959 25.606 7.207 1.00 0.00 N ATOM 970 C5 DA C 131 9.193 24.470 7.982 1.00 0.00 C ATOM 971 C6 DA C 131 10.153 23.452 7.914 1.00 0.00 C ATOM 972 N6 DA C 131 11.090 23.395 6.966 1.00 0.00 N ATOM 973 N1 DA C 131 10.093 22.479 8.843 1.00 0.00 N ATOM 974 C2 DA C 131 9.146 22.507 9.782 1.00 0.00 C ATOM 975 N3 DA C 131 8.190 23.422 9.934 1.00 0.00 N ATOM 976 C4 DA C 131 8.275 24.383 8.991 1.00 0.00 C ATOM 0 H5' DA C 131 3.301 26.924 7.248 1.00 0.00 H new ATOM 0 H5'' DA C 131 2.983 28.378 8.173 1.00 0.00 H new ATOM 0 H4' DA C 131 3.352 26.648 9.721 1.00 0.00 H new ATOM 0 H3' DA C 131 5.235 28.857 9.569 1.00 0.00 H new ATOM 0 H2' DA C 131 7.221 27.722 9.877 1.00 0.00 H new ATOM 0 H2'' DA C 131 6.578 27.086 11.378 1.00 0.00 H new ATOM 0 H1' DA C 131 6.214 25.031 10.451 1.00 0.00 H new ATOM 0 H8 DA C 131 7.475 27.058 7.425 1.00 0.00 H new ATOM 0 H61 DA C 131 11.766 22.631 6.962 1.00 0.00 H new ATOM 0 H62 DA C 131 11.130 24.115 6.245 1.00 0.00 H new ATOM 0 H2 DA C 131 9.155 21.699 10.498 1.00 0.00 H new ATOM 988 P DC C 132 5.111 29.116 12.386 1.00 0.00 P ATOM 989 OP1 DC C 132 4.042 29.695 13.230 1.00 0.00 O ATOM 990 OP2 DC C 132 6.067 30.004 11.688 1.00 0.00 O ATOM 991 O5' DC C 132 5.949 28.067 13.276 1.00 0.00 O ATOM 992 C5' DC C 132 5.304 26.882 13.745 1.00 0.00 C ATOM 993 C4' DC C 132 6.279 25.878 14.374 1.00 0.00 C ATOM 994 O4' DC C 132 7.117 25.260 13.373 1.00 0.00 O ATOM 995 C3' DC C 132 7.195 26.531 15.416 1.00 0.00 C ATOM 996 O3' DC C 132 6.856 26.088 16.733 1.00 0.00 O ATOM 997 C2' DC C 132 8.598 26.080 15.057 1.00 0.00 C ATOM 998 C1' DC C 132 8.476 25.165 13.852 1.00 0.00 C ATOM 999 N1 DC C 132 9.438 25.546 12.785 1.00 0.00 N ATOM 1000 C2 DC C 132 10.474 24.670 12.472 1.00 0.00 C ATOM 1001 O2 DC C 132 10.615 23.628 13.110 1.00 0.00 O ATOM 1002 N3 DC C 132 11.318 25.003 11.455 1.00 0.00 N ATOM 1003 C4 DC C 132 11.154 26.143 10.771 1.00 0.00 C ATOM 1004 N4 DC C 132 11.986 26.430 9.768 1.00 0.00 N ATOM 1005 C5 DC C 132 10.094 27.046 11.095 1.00 0.00 C ATOM 1006 C6 DC C 132 9.271 26.707 12.105 1.00 0.00 C ATOM 0 H5' DC C 132 4.785 26.404 12.914 1.00 0.00 H new ATOM 0 H5'' DC C 132 4.546 27.154 14.480 1.00 0.00 H new ATOM 0 H4' DC C 132 5.656 25.128 14.861 1.00 0.00 H new ATOM 0 H3' DC C 132 7.100 27.617 15.411 1.00 0.00 H new ATOM 0 H2' DC C 132 9.232 26.937 14.828 1.00 0.00 H new ATOM 0 H2'' DC C 132 9.061 25.556 15.894 1.00 0.00 H new ATOM 0 HO3' DC C 132 7.452 26.513 17.385 1.00 0.00 H new ATOM 0 H1' DC C 132 8.713 24.139 14.136 1.00 0.00 H new ATOM 0 H41 DC C 132 11.870 27.295 9.241 1.00 0.00 H new ATOM 0 H42 DC C 132 12.738 25.784 9.529 1.00 0.00 H new ATOM 0 H5 DC C 132 9.958 27.968 10.549 1.00 0.00 H new ATOM 0 H6 DC C 132 8.464 27.371 12.378 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -4.646 14.962 12.006 1.00 0.00 N ATOM 1021 CA LYS A 1 -5.695 14.470 12.945 1.00 0.00 C ATOM 1022 C LYS A 1 -6.116 13.070 12.512 1.00 0.00 C ATOM 1023 O LYS A 1 -7.107 12.892 11.832 1.00 0.00 O ATOM 1024 CB LYS A 1 -6.904 15.407 12.890 1.00 0.00 C ATOM 1025 CG LYS A 1 -8.000 14.933 13.859 1.00 0.00 C ATOM 1026 CD LYS A 1 -7.465 14.935 15.305 1.00 0.00 C ATOM 1027 CE LYS A 1 -8.621 15.147 16.293 1.00 0.00 C ATOM 1028 NZ LYS A 1 -9.726 14.196 15.986 1.00 0.00 N ATOM 0 H1 LYS A 1 -4.348 15.917 12.288 1.00 0.00 H new ATOM 0 H2 LYS A 1 -3.827 14.321 12.034 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.031 14.991 11.040 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.306 14.444 13.963 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.597 16.421 13.147 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.299 15.441 11.875 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.870 15.585 13.784 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.329 13.930 13.586 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.963 13.991 15.517 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.723 15.724 15.426 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.271 14.996 17.314 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.983 16.173 16.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.358 14.121 16.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.264 14.542 15.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.328 13.260 15.769 1.00 0.00 H new ATOM 1044 N ARG A 2 -5.366 12.075 12.891 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.714 10.681 12.494 1.00 0.00 C ATOM 1046 C ARG A 2 -6.612 10.046 13.567 1.00 0.00 C ATOM 1047 O ARG A 2 -7.395 9.160 13.293 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.428 9.870 12.342 1.00 0.00 C ATOM 1049 CG ARG A 2 -3.358 10.736 11.667 1.00 0.00 C ATOM 1050 CD ARG A 2 -3.905 11.355 10.373 1.00 0.00 C ATOM 1051 NE ARG A 2 -2.769 11.859 9.543 1.00 0.00 N ATOM 1052 CZ ARG A 2 -2.967 12.190 8.294 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -4.160 12.102 7.777 1.00 0.00 N ATOM 1054 NH2 ARG A 2 -1.975 12.617 7.563 1.00 0.00 N ATOM 0 H ARG A 2 -4.524 12.166 13.460 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.252 10.691 11.546 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.078 9.535 13.319 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.617 8.976 11.748 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.038 11.525 12.347 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.479 10.131 11.444 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.476 10.613 9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.588 12.171 10.608 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.838 11.945 9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.940 11.775 8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.314 12.360 6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.041 12.694 7.965 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.133 12.874 6.589 1.00 0.00 H new ATOM 1068 N ALA A 3 -6.486 10.488 14.790 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.312 9.911 15.896 1.00 0.00 C ATOM 1070 C ALA A 3 -8.801 9.930 15.533 1.00 0.00 C ATOM 1071 O ALA A 3 -9.386 10.974 15.322 1.00 0.00 O ATOM 1072 CB ALA A 3 -7.107 10.752 17.160 1.00 0.00 C ATOM 0 H ALA A 3 -5.844 11.228 15.074 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.001 8.879 16.060 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.705 10.339 17.972 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.054 10.736 17.441 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.416 11.779 16.968 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.424 8.783 15.493 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.885 8.728 15.181 1.00 0.00 C ATOM 1080 C GLY A 4 -11.124 8.751 13.670 1.00 0.00 C ATOM 1081 O GLY A 4 -12.230 8.549 13.213 1.00 0.00 O ATOM 0 H GLY A 4 -8.985 7.878 15.663 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.318 7.823 15.608 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.392 9.574 15.646 1.00 0.00 H new ATOM 1085 N THR A 5 -10.115 9.011 12.884 1.00 0.00 N ATOM 1086 CA THR A 5 -10.338 9.057 11.411 1.00 0.00 C ATOM 1087 C THR A 5 -10.622 7.657 10.881 1.00 0.00 C ATOM 1088 O THR A 5 -9.751 6.811 10.834 1.00 0.00 O ATOM 1089 CB THR A 5 -9.106 9.605 10.689 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.606 10.735 11.391 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.490 10.010 9.256 1.00 0.00 C ATOM 0 H THR A 5 -9.159 9.191 13.192 1.00 0.00 H new ATOM 0 HA THR A 5 -11.189 9.712 11.225 1.00 0.00 H new ATOM 0 HB THR A 5 -8.334 8.836 10.651 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.144 11.331 10.765 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.612 10.401 8.741 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.867 9.139 8.720 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.263 10.778 9.290 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.826 7.430 10.442 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.198 6.111 9.856 1.00 0.00 C ATOM 1101 C VAL A 6 -12.617 6.382 8.421 1.00 0.00 C ATOM 1102 O VAL A 6 -13.259 7.374 8.139 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.360 5.496 10.642 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.907 5.204 12.074 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.544 6.468 10.671 1.00 0.00 C ATOM 0 H VAL A 6 -12.583 8.114 10.464 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.365 5.409 9.897 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.669 4.570 10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.733 4.766 12.635 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.070 4.506 12.056 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.595 6.132 12.553 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.366 6.023 11.232 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.239 7.398 11.150 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.870 6.675 9.652 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.263 5.543 7.500 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.658 5.809 6.101 1.00 0.00 C ATOM 1117 C CYS A 7 -14.171 5.867 6.003 1.00 0.00 C ATOM 1118 O CYS A 7 -14.866 4.909 6.272 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.116 4.692 5.230 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.521 5.001 3.496 1.00 0.00 S ATOM 0 H CYS A 7 -11.722 4.692 7.653 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.253 6.764 5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.035 4.618 5.351 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.538 3.738 5.545 1.00 0.00 H new ATOM 1125 N SER A 8 -14.683 6.987 5.614 1.00 0.00 N ATOM 1126 CA SER A 8 -16.146 7.126 5.489 1.00 0.00 C ATOM 1127 C SER A 8 -16.675 6.111 4.478 1.00 0.00 C ATOM 1128 O SER A 8 -17.734 5.544 4.656 1.00 0.00 O ATOM 1129 CB SER A 8 -16.472 8.534 5.015 1.00 0.00 C ATOM 1130 OG SER A 8 -16.081 9.465 6.017 1.00 0.00 O ATOM 0 H SER A 8 -14.146 7.820 5.375 1.00 0.00 H new ATOM 0 HA SER A 8 -16.615 6.945 6.456 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.952 8.746 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.539 8.625 4.813 1.00 0.00 H new ATOM 0 HG SER A 8 -15.122 9.648 5.937 1.00 0.00 H new ATOM 1136 N ASN A 9 -15.969 5.897 3.392 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.483 4.941 2.376 1.00 0.00 C ATOM 1138 C ASN A 9 -16.308 3.487 2.833 1.00 0.00 C ATOM 1139 O ASN A 9 -17.169 2.673 2.564 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.738 5.149 1.055 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.157 6.486 0.441 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.192 7.026 0.781 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.404 7.040 -0.470 1.00 0.00 N ATOM 0 H ASN A 9 -15.075 6.337 3.173 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.548 5.131 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.662 5.136 1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.961 4.334 0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.684 7.924 -0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.535 6.589 -0.757 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.209 3.117 3.490 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.051 1.670 3.897 1.00 0.00 C ATOM 1152 C CYS A 10 -14.634 1.498 5.367 1.00 0.00 C ATOM 1153 O CYS A 10 -14.215 0.426 5.759 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.060 0.946 2.965 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.338 1.311 3.396 1.00 0.00 S ATOM 0 H CYS A 10 -14.442 3.736 3.752 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.036 1.213 3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.228 -0.129 3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.247 1.245 1.934 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.790 2.497 6.201 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.464 2.327 7.656 1.00 0.00 C ATOM 1162 C GLN A 11 -13.033 1.816 7.906 1.00 0.00 C ATOM 1163 O GLN A 11 -12.608 1.723 9.039 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.501 1.349 8.252 1.00 0.00 C ATOM 1165 CG GLN A 11 -15.088 0.865 9.648 1.00 0.00 C ATOM 1166 CD GLN A 11 -14.766 2.060 10.548 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -15.573 2.955 10.701 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -13.613 2.112 11.158 1.00 0.00 N ATOM 0 H GLN A 11 -15.129 3.423 5.940 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.511 3.303 8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.473 1.840 8.310 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.616 0.492 7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.891 0.275 10.089 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.218 0.213 9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.934 1.361 11.031 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.391 2.903 11.762 1.00 0.00 H new ATOM 1177 N THR A 12 -12.262 1.501 6.906 1.00 0.00 N ATOM 1178 CA THR A 12 -10.884 1.020 7.220 1.00 0.00 C ATOM 1179 C THR A 12 -10.168 2.096 8.054 1.00 0.00 C ATOM 1180 O THR A 12 -10.297 3.273 7.780 1.00 0.00 O ATOM 1181 CB THR A 12 -10.107 0.721 5.928 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.913 0.031 6.257 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.757 2.007 5.188 1.00 0.00 C ATOM 0 H THR A 12 -12.510 1.551 5.918 1.00 0.00 H new ATOM 0 HA THR A 12 -10.938 0.093 7.790 1.00 0.00 H new ATOM 0 HB THR A 12 -10.734 0.111 5.278 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.144 0.620 6.109 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.208 1.765 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.673 2.538 4.929 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.140 2.638 5.827 1.00 0.00 H new ATOM 1191 N SER A 13 -9.400 1.709 9.058 1.00 0.00 N ATOM 1192 CA SER A 13 -8.666 2.736 9.891 1.00 0.00 C ATOM 1193 C SER A 13 -7.193 2.728 9.481 1.00 0.00 C ATOM 1194 O SER A 13 -6.421 3.584 9.864 1.00 0.00 O ATOM 1195 CB SER A 13 -8.803 2.418 11.381 1.00 0.00 C ATOM 1196 OG SER A 13 -8.098 1.218 11.671 1.00 0.00 O ATOM 0 H SER A 13 -9.250 0.739 9.335 1.00 0.00 H new ATOM 0 HA SER A 13 -9.096 3.723 9.719 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.407 3.240 11.978 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.855 2.309 11.646 1.00 0.00 H new ATOM 0 HG SER A 13 -8.182 1.012 12.625 1.00 0.00 H new ATOM 1202 N THR A 14 -6.811 1.769 8.682 1.00 0.00 N ATOM 1203 CA THR A 14 -5.401 1.683 8.202 1.00 0.00 C ATOM 1204 C THR A 14 -5.354 2.183 6.769 1.00 0.00 C ATOM 1205 O THR A 14 -6.040 1.674 5.903 1.00 0.00 O ATOM 1206 CB THR A 14 -4.942 0.229 8.238 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.698 -0.527 7.301 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.154 -0.328 9.644 1.00 0.00 C ATOM 0 H THR A 14 -7.425 1.031 8.336 1.00 0.00 H new ATOM 0 HA THR A 14 -4.750 2.284 8.837 1.00 0.00 H new ATOM 0 HB THR A 14 -3.885 0.167 7.979 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.226 0.080 6.741 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.828 -1.368 9.677 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.574 0.257 10.358 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.211 -0.271 9.902 1.00 0.00 H new ATOM 1216 N THR A 15 -4.559 3.179 6.502 1.00 0.00 N ATOM 1217 CA THR A 15 -4.486 3.714 5.116 1.00 0.00 C ATOM 1218 C THR A 15 -3.073 4.194 4.834 1.00 0.00 C ATOM 1219 O THR A 15 -2.381 4.669 5.714 1.00 0.00 O ATOM 1220 CB THR A 15 -5.436 4.908 4.992 1.00 0.00 C ATOM 1221 OG1 THR A 15 -4.805 6.067 5.520 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.704 4.632 5.788 1.00 0.00 C ATOM 0 H THR A 15 -3.958 3.645 7.182 1.00 0.00 H new ATOM 0 HA THR A 15 -4.763 2.932 4.409 1.00 0.00 H new ATOM 0 HB THR A 15 -5.685 5.065 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.418 6.522 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.381 5.482 5.700 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.191 3.738 5.398 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.449 4.478 6.837 1.00 0.00 H new ATOM 1230 N THR A 16 -2.643 4.110 3.614 1.00 0.00 N ATOM 1231 CA THR A 16 -1.289 4.605 3.297 1.00 0.00 C ATOM 1232 C THR A 16 -1.341 6.130 3.358 1.00 0.00 C ATOM 1233 O THR A 16 -0.452 6.775 3.880 1.00 0.00 O ATOM 1234 CB THR A 16 -0.889 4.131 1.904 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.508 4.956 0.927 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.343 2.688 1.712 1.00 0.00 C ATOM 0 H THR A 16 -3.167 3.723 2.829 1.00 0.00 H new ATOM 0 HA THR A 16 -0.550 4.227 4.004 1.00 0.00 H new ATOM 0 HB THR A 16 0.194 4.191 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.964 4.394 0.266 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.058 2.346 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.870 2.055 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.426 2.630 1.819 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.406 6.710 2.857 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.551 8.196 2.916 1.00 0.00 C ATOM 1246 C LEU A 17 -4.028 8.537 3.106 1.00 0.00 C ATOM 1247 O LEU A 17 -4.881 8.033 2.403 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.025 8.848 1.619 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.449 10.248 1.898 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.258 10.170 2.889 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.000 10.877 0.558 1.00 0.00 C ATOM 0 H LEU A 17 -3.179 6.217 2.411 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.966 8.582 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.255 8.216 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.833 8.922 0.892 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.218 10.870 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.131 11.172 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.596 9.737 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.529 9.546 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.590 11.870 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.237 10.248 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.856 10.956 -0.112 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.344 9.397 4.035 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.764 9.767 4.239 1.00 0.00 C ATOM 1265 C TRP A 18 -6.175 10.766 3.163 1.00 0.00 C ATOM 1266 O TRP A 18 -5.530 11.774 2.957 1.00 0.00 O ATOM 1267 CB TRP A 18 -5.922 10.426 5.616 1.00 0.00 C ATOM 1268 CG TRP A 18 -5.960 9.370 6.673 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -4.992 9.142 7.589 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.002 8.389 6.928 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.381 8.084 8.391 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.611 7.589 8.024 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.238 8.122 6.319 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.417 6.561 8.500 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.051 7.085 6.796 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.642 6.307 7.884 1.00 0.00 C ATOM 0 H TRP A 18 -3.679 9.856 4.658 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.389 8.876 4.182 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.094 11.110 5.800 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.837 11.018 5.645 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.068 9.694 7.680 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.823 7.715 9.161 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.564 8.718 5.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.097 5.964 9.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.000 6.885 6.320 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.274 5.510 8.247 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.254 10.491 2.489 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.756 11.407 1.424 1.00 0.00 C ATOM 1289 C ARG A 19 -9.074 12.024 1.872 1.00 0.00 C ATOM 1290 O ARG A 19 -9.579 11.740 2.940 1.00 0.00 O ATOM 1291 CB ARG A 19 -7.982 10.617 0.123 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.653 10.456 -0.647 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.285 11.771 -1.358 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.398 11.486 -2.534 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.269 10.838 -2.411 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.793 10.529 -1.236 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.587 10.542 -3.479 1.00 0.00 N ATOM 0 H ARG A 19 -7.821 9.655 2.632 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.021 12.192 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.397 9.636 0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.711 11.133 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.858 10.172 0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.743 9.652 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.190 12.281 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.778 12.441 -0.663 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.685 11.808 -3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.303 10.793 -0.393 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.911 10.023 -1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.935 10.815 -4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.705 10.037 -3.397 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.642 12.844 1.037 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.947 13.478 1.351 1.00 0.00 C ATOM 1313 C ARG A 20 -11.853 13.274 0.137 1.00 0.00 C ATOM 1314 O ARG A 20 -11.410 13.364 -0.991 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.737 14.972 1.600 1.00 0.00 C ATOM 1316 CG ARG A 20 -11.985 15.568 2.284 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.784 15.610 3.802 1.00 0.00 C ATOM 1318 NE ARG A 20 -11.007 16.832 4.144 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.918 17.228 5.379 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.456 16.520 6.333 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -10.283 18.331 5.663 1.00 0.00 N ATOM 0 H ARG A 20 -9.248 13.106 0.133 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.395 13.038 2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.859 15.126 2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.548 15.484 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.171 16.573 1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.863 14.969 2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.748 15.620 4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.255 14.719 4.138 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.542 17.361 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.947 15.654 6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.385 16.832 7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.857 18.881 4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.212 18.644 6.631 1.00 0.00 H new ATOM 1335 N SER A 21 -13.111 12.995 0.348 1.00 0.00 N ATOM 1336 CA SER A 21 -14.035 12.781 -0.811 1.00 0.00 C ATOM 1337 C SER A 21 -14.689 14.123 -1.190 1.00 0.00 C ATOM 1338 O SER A 21 -14.703 15.049 -0.405 1.00 0.00 O ATOM 1339 CB SER A 21 -15.083 11.726 -0.423 1.00 0.00 C ATOM 1340 OG SER A 21 -14.770 10.503 -1.075 1.00 0.00 O ATOM 0 H SER A 21 -13.541 12.905 1.269 1.00 0.00 H new ATOM 0 HA SER A 21 -13.489 12.416 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.093 11.585 0.658 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.080 12.062 -0.710 1.00 0.00 H new ATOM 0 HG SER A 21 -15.567 9.933 -1.102 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.204 14.238 -2.396 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.838 15.512 -2.853 1.00 0.00 C ATOM 1348 C PRO A 22 -16.936 16.003 -1.895 1.00 0.00 C ATOM 1349 O PRO A 22 -17.300 17.163 -1.897 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.421 15.115 -4.230 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.221 13.599 -4.420 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.198 13.123 -3.385 1.00 0.00 C ATOM 0 HA PRO A 22 -15.135 16.344 -2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.480 15.368 -4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.923 15.667 -5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.166 13.071 -4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.870 13.385 -5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.489 12.176 -2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.212 12.976 -3.826 1.00 0.00 H new ATOM 1360 N MET A 23 -17.468 15.131 -1.080 1.00 0.00 N ATOM 1361 CA MET A 23 -18.542 15.548 -0.128 1.00 0.00 C ATOM 1362 C MET A 23 -17.918 16.017 1.190 1.00 0.00 C ATOM 1363 O MET A 23 -18.594 16.537 2.055 1.00 0.00 O ATOM 1364 CB MET A 23 -19.468 14.358 0.148 1.00 0.00 C ATOM 1365 CG MET A 23 -20.298 14.035 -1.102 1.00 0.00 C ATOM 1366 SD MET A 23 -19.274 13.128 -2.289 1.00 0.00 S ATOM 1367 CE MET A 23 -20.018 13.793 -3.799 1.00 0.00 C ATOM 0 H MET A 23 -17.206 14.147 -1.032 1.00 0.00 H new ATOM 0 HA MET A 23 -19.112 16.366 -0.569 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.879 13.488 0.438 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.129 14.588 0.984 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.170 13.441 -0.829 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.668 14.955 -1.554 1.00 0.00 H new ATOM 0 HE1 MET A 23 -19.526 13.358 -4.669 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.079 13.546 -3.821 1.00 0.00 H new ATOM 0 HE3 MET A 23 -19.897 14.876 -3.818 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.638 15.824 1.361 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.977 16.241 2.636 1.00 0.00 C ATOM 1379 C GLY A 24 -16.011 15.062 3.605 1.00 0.00 C ATOM 1380 O GLY A 24 -16.021 15.225 4.810 1.00 0.00 O ATOM 0 H GLY A 24 -16.019 15.395 0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.948 16.547 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.491 17.100 3.066 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.045 13.869 3.074 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.097 12.645 3.921 1.00 0.00 C ATOM 1386 C ASP A 25 -14.693 11.989 3.989 1.00 0.00 C ATOM 1387 O ASP A 25 -14.171 11.579 2.972 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.063 11.667 3.252 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.471 12.265 3.257 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.577 13.478 3.176 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.418 11.501 3.344 1.00 0.00 O ATOM 0 H ASP A 25 -16.039 13.690 2.070 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.420 12.898 4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.745 11.466 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.058 10.714 3.781 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.074 11.869 5.155 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.724 11.226 5.234 1.00 0.00 C ATOM 1398 C PRO A 26 -12.703 9.850 4.546 1.00 0.00 C ATOM 1399 O PRO A 26 -13.570 9.027 4.770 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.509 11.103 6.756 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.527 12.022 7.453 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.644 12.346 6.451 1.00 0.00 C ATOM 0 HA PRO A 26 -11.944 11.794 4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.644 10.070 7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.492 11.390 7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.938 11.533 8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.043 12.938 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.572 11.831 6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.868 13.412 6.426 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.714 9.593 3.721 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.638 8.261 3.032 1.00 0.00 C ATOM 1412 C VAL A 27 -10.197 7.755 2.986 1.00 0.00 C ATOM 1413 O VAL A 27 -9.254 8.515 3.088 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.183 8.368 1.598 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.715 8.346 1.623 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.688 9.670 0.957 1.00 0.00 C ATOM 0 H VAL A 27 -10.960 10.242 3.495 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.245 7.556 3.600 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.826 7.522 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.097 8.422 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.058 7.413 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.081 9.187 2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.075 9.745 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.039 10.520 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.598 9.672 0.932 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.020 6.468 2.793 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.649 5.908 2.691 1.00 0.00 C ATOM 1428 C CYS A 28 -8.170 6.118 1.248 1.00 0.00 C ATOM 1429 O CYS A 28 -8.966 6.253 0.340 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.648 4.415 3.094 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.481 3.375 1.859 1.00 0.00 S ATOM 0 H CYS A 28 -10.773 5.786 2.703 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.966 6.413 3.374 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.620 4.075 3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.143 4.300 4.058 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.890 6.210 1.038 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.371 6.486 -0.339 1.00 0.00 C ATOM 1438 C ASN A 29 -7.022 5.589 -1.399 1.00 0.00 C ATOM 1439 O ASN A 29 -7.272 6.023 -2.506 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.862 6.249 -0.367 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.328 6.573 -1.763 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.289 5.718 -2.625 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.909 7.781 -2.024 1.00 0.00 N ATOM 0 H ASN A 29 -6.175 6.107 1.758 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.614 7.522 -0.575 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.370 6.874 0.378 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.640 5.213 -0.111 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.549 8.007 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.941 8.499 -1.301 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.283 4.354 -1.102 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.891 3.472 -2.141 1.00 0.00 C ATOM 1452 C ALA A 30 -9.331 3.916 -2.489 1.00 0.00 C ATOM 1453 O ALA A 30 -9.676 4.049 -3.646 1.00 0.00 O ATOM 1454 CB ALA A 30 -7.891 2.037 -1.637 1.00 0.00 C ATOM 0 H ALA A 30 -7.107 3.915 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.297 3.546 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.334 1.386 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.867 1.720 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.472 1.974 -0.717 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.183 4.120 -1.510 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.602 4.527 -1.818 1.00 0.00 C ATOM 1462 C CYS A 31 -11.642 5.830 -2.610 1.00 0.00 C ATOM 1463 O CYS A 31 -12.412 5.984 -3.522 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.383 4.771 -0.522 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.815 3.208 0.254 1.00 0.00 S ATOM 0 H CYS A 31 -9.964 4.024 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.044 3.716 -2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.784 5.371 0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.288 5.340 -0.737 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.851 6.782 -2.246 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.906 8.078 -2.964 1.00 0.00 C ATOM 1472 C GLY A 32 -10.650 7.871 -4.453 1.00 0.00 C ATOM 1473 O GLY A 32 -11.353 8.394 -5.294 1.00 0.00 O ATOM 0 H GLY A 32 -10.171 6.726 -1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.882 8.541 -2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.163 8.761 -2.552 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.644 7.123 -4.785 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.333 6.894 -6.218 1.00 0.00 C ATOM 1479 C LEU A 33 -10.419 6.031 -6.864 1.00 0.00 C ATOM 1480 O LEU A 33 -10.976 6.379 -7.882 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.992 6.171 -6.305 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.907 7.029 -5.629 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.590 6.233 -5.522 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.685 8.327 -6.438 1.00 0.00 C ATOM 0 H LEU A 33 -9.021 6.658 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.289 7.848 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.058 5.198 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.731 5.989 -7.347 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.236 7.292 -4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.830 6.850 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.755 5.334 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.253 5.952 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.916 8.930 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.366 8.075 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.616 8.893 -6.481 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.734 4.909 -6.284 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.784 4.042 -6.885 1.00 0.00 C ATOM 1498 C TYR A 34 -13.102 4.809 -6.955 1.00 0.00 C ATOM 1499 O TYR A 34 -13.802 4.778 -7.947 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.969 2.792 -6.026 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.053 1.932 -6.620 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.389 2.159 -6.275 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.723 0.910 -7.514 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.397 1.361 -6.827 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.730 0.112 -8.067 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.068 0.337 -7.723 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.064 -0.449 -8.266 1.00 0.00 O ATOM 0 H TYR A 34 -10.313 4.555 -5.425 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.479 3.751 -7.890 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.035 2.233 -5.972 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.231 3.074 -5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.642 2.949 -5.584 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.690 0.736 -7.778 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.429 1.535 -6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.475 -0.677 -8.759 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.666 -1.111 -8.869 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.449 5.493 -5.906 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.721 6.258 -5.901 1.00 0.00 C ATOM 1519 C TYR A 35 -14.662 7.365 -6.955 1.00 0.00 C ATOM 1520 O TYR A 35 -15.567 7.552 -7.721 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.933 6.883 -4.516 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.379 7.280 -4.359 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.303 6.365 -3.838 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.791 8.558 -4.731 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.645 6.733 -3.692 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.133 8.930 -4.586 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.062 8.018 -4.067 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.387 8.385 -3.933 1.00 0.00 O ATOM 0 H TYR A 35 -12.903 5.555 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.548 5.586 -6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.653 6.172 -3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.290 7.755 -4.397 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.980 5.376 -3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.076 9.261 -5.131 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -19.359 6.028 -3.291 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.453 9.921 -4.874 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.503 9.309 -4.238 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.610 8.117 -6.997 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.538 9.214 -8.003 1.00 0.00 C ATOM 1540 C LYS A 36 -13.635 8.649 -9.428 1.00 0.00 C ATOM 1541 O LYS A 36 -14.283 9.223 -10.281 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.208 9.956 -7.817 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.052 11.052 -8.874 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.751 11.822 -8.615 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.530 10.930 -8.905 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.360 11.788 -9.256 1.00 0.00 N ATOM 0 H LYS A 36 -12.798 8.027 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.373 9.900 -7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.166 10.395 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.379 9.252 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.036 10.612 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.904 11.731 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.717 12.712 -9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.723 12.162 -7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.298 10.318 -8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.752 10.246 -9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.535 11.186 -9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.585 12.353 -10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.144 12.423 -8.461 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.995 7.549 -9.706 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.062 6.984 -11.090 1.00 0.00 C ATOM 1562 C LEU A 37 -14.460 6.421 -11.400 1.00 0.00 C ATOM 1563 O LEU A 37 -14.941 6.565 -12.506 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.993 5.879 -11.249 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.669 6.477 -11.762 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.215 7.640 -10.871 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.589 5.392 -11.754 1.00 0.00 C ATOM 0 H LEU A 37 -12.431 7.017 -9.043 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.865 7.788 -11.799 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.828 5.384 -10.292 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.349 5.118 -11.944 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.826 6.850 -12.774 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.278 8.046 -11.252 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.977 8.420 -10.874 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.067 7.282 -9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.650 5.811 -12.116 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.453 5.021 -10.738 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.894 4.570 -12.402 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.103 5.758 -10.463 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.456 5.162 -10.752 1.00 0.00 C ATOM 1581 C HIS A 38 -17.558 5.790 -9.887 1.00 0.00 C ATOM 1582 O HIS A 38 -18.719 5.494 -10.073 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.398 3.657 -10.490 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.381 3.035 -11.404 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.732 2.499 -12.633 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.025 2.855 -11.290 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.611 2.025 -13.204 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.541 2.217 -12.428 1.00 0.00 N ATOM 0 H HIS A 38 -14.754 5.603 -9.517 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.702 5.364 -11.795 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.134 3.467 -9.450 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.377 3.209 -10.657 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -16.670 2.470 -13.032 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.425 3.162 -10.446 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.579 1.547 -14.172 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.232 6.662 -8.967 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.272 7.323 -8.111 1.00 0.00 C ATOM 1598 C GLN A 39 -19.377 6.337 -7.697 1.00 0.00 C ATOM 1599 O GLN A 39 -20.554 6.597 -7.828 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.816 8.552 -8.849 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.682 9.403 -7.913 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.041 10.721 -8.598 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.778 10.904 -9.771 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.637 11.656 -7.909 1.00 0.00 N ATOM 0 H GLN A 39 -16.274 6.950 -8.767 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.819 7.657 -7.178 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.988 9.150 -9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.404 8.235 -9.710 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.590 8.861 -7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.146 9.599 -6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -20.858 11.502 -6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.882 12.540 -8.355 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.983 5.207 -7.164 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.959 4.189 -6.688 1.00 0.00 C ATOM 1615 C VAL A 40 -19.344 3.463 -5.488 1.00 0.00 C ATOM 1616 O VAL A 40 -18.140 3.387 -5.349 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.254 3.169 -7.784 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.156 3.787 -8.854 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.944 2.698 -8.411 1.00 0.00 C ATOM 0 H VAL A 40 -18.005 4.946 -7.038 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.891 4.684 -6.414 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.770 2.315 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.359 3.049 -9.630 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.095 4.103 -8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.658 4.650 -9.296 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.156 1.970 -9.194 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.420 3.551 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.320 2.237 -7.646 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.157 2.923 -4.626 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.615 2.195 -3.437 1.00 0.00 C ATOM 1631 C ASN A 41 -19.326 0.738 -3.823 1.00 0.00 C ATOM 1632 O ASN A 41 -20.097 0.124 -4.533 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.651 2.227 -2.309 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.968 1.623 -2.809 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.036 0.448 -3.110 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.024 2.385 -2.910 1.00 0.00 N ATOM 0 H ASN A 41 -21.175 2.952 -4.690 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.695 2.673 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.285 1.667 -1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.812 3.253 -1.977 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.906 1.993 -3.242 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.967 3.372 -2.657 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.218 0.177 -3.372 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.874 -1.245 -3.726 1.00 0.00 C ATOM 1645 C ARG A 42 -17.789 -2.094 -2.435 1.00 0.00 C ATOM 1646 O ARG A 42 -17.447 -1.582 -1.388 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.510 -1.266 -4.434 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.558 -0.266 -3.757 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.102 -0.629 -4.073 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.188 0.298 -3.346 1.00 0.00 N ATOM 1651 CZ ARG A 42 -11.937 -0.024 -3.169 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -11.500 -1.189 -3.558 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -11.127 0.812 -2.583 1.00 0.00 N ATOM 0 H ARG A 42 -17.538 0.645 -2.773 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.642 -1.656 -4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.086 -2.269 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.632 -1.011 -5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.773 0.745 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.717 -0.273 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.901 -1.659 -3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.925 -0.564 -5.146 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.542 1.185 -2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.137 -1.851 -4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.521 -1.439 -3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.472 1.717 -2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.148 0.561 -2.444 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.092 -3.380 -2.496 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.024 -4.245 -1.276 1.00 0.00 C ATOM 1669 C PRO A 43 -16.632 -4.230 -0.612 1.00 0.00 C ATOM 1670 O PRO A 43 -15.619 -4.079 -1.264 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.384 -5.643 -1.828 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.530 -5.541 -3.362 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.516 -4.056 -3.756 1.00 0.00 C ATOM 0 HA PRO A 43 -18.691 -3.906 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.609 -6.364 -1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.313 -5.999 -1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.716 -6.072 -3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.459 -6.010 -3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.821 -3.861 -4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.498 -3.716 -4.086 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.594 -4.373 0.688 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.297 -4.356 1.431 1.00 0.00 C ATOM 1683 C LEU A 44 -14.481 -5.609 1.133 1.00 0.00 C ATOM 1684 O LEU A 44 -13.291 -5.647 1.361 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.576 -4.285 2.941 1.00 0.00 C ATOM 1686 CG LEU A 44 -15.916 -2.846 3.332 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.288 -2.460 2.773 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -15.933 -2.712 4.857 1.00 0.00 C ATOM 0 H LEU A 44 -17.418 -4.503 1.275 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.727 -3.484 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.402 -4.948 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.705 -4.628 3.499 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.159 -2.181 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.521 -1.434 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.274 -2.542 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.047 -3.129 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.176 -1.685 5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.683 -3.385 5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.952 -2.971 5.256 1.00 0.00 H new ATOM 1700 N THR A 45 -15.112 -6.641 0.658 1.00 0.00 N ATOM 1701 CA THR A 45 -14.374 -7.901 0.370 1.00 0.00 C ATOM 1702 C THR A 45 -13.054 -7.588 -0.345 1.00 0.00 C ATOM 1703 O THR A 45 -12.168 -8.416 -0.418 1.00 0.00 O ATOM 1704 CB THR A 45 -15.233 -8.791 -0.531 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.496 -8.109 -1.749 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.554 -9.111 0.170 1.00 0.00 C ATOM 0 H THR A 45 -16.111 -6.668 0.455 1.00 0.00 H new ATOM 0 HA THR A 45 -14.160 -8.412 1.309 1.00 0.00 H new ATOM 0 HB THR A 45 -14.702 -9.720 -0.738 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.045 -8.676 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.163 -9.745 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.352 -9.632 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.089 -8.185 0.378 1.00 0.00 H new ATOM 1714 N MET A 46 -12.918 -6.405 -0.890 1.00 0.00 N ATOM 1715 CA MET A 46 -11.653 -6.066 -1.613 1.00 0.00 C ATOM 1716 C MET A 46 -10.546 -5.672 -0.626 1.00 0.00 C ATOM 1717 O MET A 46 -9.393 -6.010 -0.805 1.00 0.00 O ATOM 1718 CB MET A 46 -11.914 -4.911 -2.578 1.00 0.00 C ATOM 1719 CG MET A 46 -10.677 -4.689 -3.451 1.00 0.00 C ATOM 1720 SD MET A 46 -11.115 -3.647 -4.863 1.00 0.00 S ATOM 1721 CE MET A 46 -9.433 -3.297 -5.432 1.00 0.00 C ATOM 0 H MET A 46 -13.620 -5.666 -0.867 1.00 0.00 H new ATOM 0 HA MET A 46 -11.323 -6.945 -2.166 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.779 -5.133 -3.203 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.148 -4.003 -2.022 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.887 -4.216 -2.868 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.287 -5.646 -3.798 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.426 -3.218 -6.519 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.090 -2.358 -4.998 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.769 -4.104 -5.122 1.00 0.00 H new ATOM 1731 N ARG A 47 -10.888 -4.950 0.402 1.00 0.00 N ATOM 1732 CA ARG A 47 -9.871 -4.507 1.401 1.00 0.00 C ATOM 1733 C ARG A 47 -9.487 -5.673 2.322 1.00 0.00 C ATOM 1734 O ARG A 47 -10.168 -6.676 2.398 1.00 0.00 O ATOM 1735 CB ARG A 47 -10.469 -3.358 2.240 1.00 0.00 C ATOM 1736 CG ARG A 47 -10.259 -1.975 1.540 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.600 -1.255 1.323 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.209 -1.761 0.055 1.00 0.00 N ATOM 1739 CZ ARG A 47 -13.456 -1.507 -0.233 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -14.174 -0.765 0.561 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -13.980 -1.986 -1.330 1.00 0.00 N ATOM 0 H ARG A 47 -11.841 -4.643 0.597 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.975 -4.166 0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.534 -3.533 2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.003 -3.344 3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.603 -1.352 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.762 -2.121 0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.269 -1.438 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.447 -0.177 1.266 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.644 -2.311 -0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.762 -0.380 1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.149 -0.568 0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.414 -2.557 -1.958 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.955 -1.789 -1.558 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.394 -5.526 3.032 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.934 -6.592 3.975 1.00 0.00 C ATOM 1757 C LYS A 48 -7.544 -5.928 5.300 1.00 0.00 C ATOM 1758 O LYS A 48 -7.297 -4.740 5.355 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.724 -7.321 3.385 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.144 -8.068 2.119 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.936 -8.798 1.527 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.367 -9.574 0.283 1.00 0.00 C ATOM 1763 NZ LYS A 48 -5.160 -10.059 -0.446 1.00 0.00 N ATOM 0 H LYS A 48 -7.794 -4.702 2.997 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.732 -7.317 4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.934 -6.607 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.317 -8.021 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.934 -8.782 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.551 -7.368 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.156 -8.082 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.512 -9.479 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.996 -10.418 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.965 -8.936 -0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.454 -10.587 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.576 -9.247 -0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.606 -10.682 0.176 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.509 -6.679 6.370 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.162 -6.091 7.699 1.00 0.00 C ATOM 1779 C ASP A 49 -5.992 -5.102 7.575 1.00 0.00 C ATOM 1780 O ASP A 49 -6.191 -3.906 7.491 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.789 -7.219 8.668 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.018 -8.096 8.919 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -8.277 -8.966 8.103 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.687 -7.877 9.915 1.00 0.00 O ATOM 0 H ASP A 49 -7.707 -7.680 6.381 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.027 -5.547 8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.979 -7.818 8.252 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.427 -6.802 9.608 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.779 -5.580 7.589 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.608 -4.651 7.504 1.00 0.00 C ATOM 1791 C GLY A 50 -3.517 -4.021 6.109 1.00 0.00 C ATOM 1792 O GLY A 50 -4.379 -4.204 5.274 1.00 0.00 O ATOM 0 H GLY A 50 -4.544 -6.570 7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.703 -3.868 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.689 -5.195 7.724 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.467 -3.277 5.853 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.306 -2.636 4.520 1.00 0.00 C ATOM 1798 C ILE A 51 -1.625 -3.616 3.567 1.00 0.00 C ATOM 1799 O ILE A 51 -0.686 -4.301 3.919 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.451 -1.373 4.666 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.069 -0.476 5.760 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.387 -0.618 3.324 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.596 0.971 5.597 1.00 0.00 C ATOM 0 H ILE A 51 -1.715 -3.089 6.516 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.283 -2.365 4.120 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.435 -1.646 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.157 -0.518 5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.788 -0.848 6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.777 0.278 3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.945 -1.263 2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.394 -0.334 3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.041 1.589 6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.510 1.010 5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.900 1.345 4.619 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.090 -3.669 2.355 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.477 -4.583 1.358 1.00 0.00 C ATOM 1817 C GLN A 52 -0.175 -3.946 0.867 1.00 0.00 C ATOM 1818 O GLN A 52 -0.046 -2.742 0.853 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.449 -4.754 0.185 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.686 -5.512 0.659 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.683 -5.637 -0.496 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -5.592 -6.440 -0.443 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.554 -4.864 -1.543 1.00 0.00 N ATOM 0 H GLN A 52 -2.874 -3.115 2.009 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.269 -5.559 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.735 -3.779 -0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.965 -5.297 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.404 -6.502 1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.147 -4.989 1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.790 -4.189 -1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.217 -4.936 -2.315 1.00 0.00 H new ATOM 1832 N THR A 53 0.809 -4.729 0.501 1.00 0.00 N ATOM 1833 CA THR A 53 2.103 -4.127 0.037 1.00 0.00 C ATOM 1834 C THR A 53 2.682 -4.919 -1.129 1.00 0.00 C ATOM 1835 O THR A 53 2.392 -6.083 -1.326 1.00 0.00 O ATOM 1836 CB THR A 53 3.109 -4.092 1.183 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.403 -3.820 0.663 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.116 -5.431 1.911 1.00 0.00 C ATOM 0 H THR A 53 0.777 -5.748 0.502 1.00 0.00 H new ATOM 0 HA THR A 53 1.902 -3.109 -0.298 1.00 0.00 H new ATOM 0 HB THR A 53 2.827 -3.310 1.888 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.577 -2.857 0.706 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.837 -5.397 2.728 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.123 -5.632 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.393 -6.222 1.215 1.00 0.00 H new ATOM 1846 N ARG A 54 3.505 -4.268 -1.904 1.00 0.00 N ATOM 1847 CA ARG A 54 4.139 -4.928 -3.088 1.00 0.00 C ATOM 1848 C ARG A 54 5.586 -4.462 -3.212 1.00 0.00 C ATOM 1849 O ARG A 54 5.989 -3.484 -2.615 1.00 0.00 O ATOM 1850 CB ARG A 54 3.396 -4.532 -4.373 1.00 0.00 C ATOM 1851 CG ARG A 54 1.970 -5.100 -4.386 1.00 0.00 C ATOM 1852 CD ARG A 54 1.983 -6.576 -4.803 1.00 0.00 C ATOM 1853 NE ARG A 54 0.582 -7.034 -5.004 1.00 0.00 N ATOM 1854 CZ ARG A 54 0.341 -8.132 -5.667 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.328 -8.857 -6.115 1.00 0.00 N ATOM 1856 NH2 ARG A 54 -0.891 -8.506 -5.870 1.00 0.00 N ATOM 0 H ARG A 54 3.771 -3.293 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 54 4.094 -6.009 -2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.359 -3.446 -4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.944 -4.898 -5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.523 -4.999 -3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.350 -4.527 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.556 -6.703 -5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.470 -7.179 -4.037 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.191 -6.489 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.291 -8.566 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.137 -9.715 -6.633 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.661 -7.941 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.085 -9.363 -6.388 1.00 0.00 H new ATOM 1870 N ASN A 55 6.363 -5.145 -4.005 1.00 0.00 N ATOM 1871 CA ASN A 55 7.776 -4.727 -4.192 1.00 0.00 C ATOM 1872 C ASN A 55 7.776 -3.308 -4.761 1.00 0.00 C ATOM 1873 O ASN A 55 7.004 -2.983 -5.641 1.00 0.00 O ATOM 1874 CB ASN A 55 8.469 -5.679 -5.169 1.00 0.00 C ATOM 1875 CG ASN A 55 8.673 -7.042 -4.506 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.233 -7.130 -3.432 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.237 -8.117 -5.103 1.00 0.00 N ATOM 0 H ASN A 55 6.080 -5.973 -4.530 1.00 0.00 H new ATOM 0 HA ASN A 55 8.311 -4.753 -3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.868 -5.790 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.430 -5.265 -5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.367 -9.030 -4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.767 -8.044 -6.005 1.00 0.00 H new ATOM 1884 N ARG A 56 8.617 -2.455 -4.250 1.00 0.00 N ATOM 1885 CA ARG A 56 8.643 -1.049 -4.745 1.00 0.00 C ATOM 1886 C ARG A 56 9.009 -1.012 -6.227 1.00 0.00 C ATOM 1887 O ARG A 56 9.978 -1.605 -6.654 1.00 0.00 O ATOM 1888 CB ARG A 56 9.681 -0.248 -3.960 1.00 0.00 C ATOM 1889 CG ARG A 56 9.278 -0.200 -2.489 1.00 0.00 C ATOM 1890 CD ARG A 56 10.159 0.805 -1.750 1.00 0.00 C ATOM 1891 NE ARG A 56 9.912 0.703 -0.286 1.00 0.00 N ATOM 1892 CZ ARG A 56 10.771 1.210 0.553 1.00 0.00 C ATOM 1893 NH1 ARG A 56 11.846 1.800 0.106 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.556 1.125 1.837 1.00 0.00 N ATOM 0 H ARG A 56 9.288 -2.669 -3.512 1.00 0.00 H new ATOM 0 HA ARG A 56 7.652 -0.615 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.665 -0.706 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.756 0.763 -4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.230 0.084 -2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.381 -1.188 -2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.210 0.611 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.944 1.816 -2.096 1.00 0.00 H new ATOM 0 HE ARG A 56 9.073 0.238 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.013 1.864 -0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.519 2.197 0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.716 0.662 2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.228 1.522 2.494 1.00 0.00 H new ATOM 1908 N LYS A 57 8.239 -0.314 -7.014 1.00 0.00 N ATOM 1909 CA LYS A 57 8.538 -0.231 -8.467 1.00 0.00 C ATOM 1910 C LYS A 57 9.911 0.403 -8.683 1.00 0.00 C ATOM 1911 O LYS A 57 10.599 0.756 -7.747 1.00 0.00 O ATOM 1912 CB LYS A 57 7.477 0.608 -9.154 1.00 0.00 C ATOM 1913 CG LYS A 57 7.425 1.984 -8.519 1.00 0.00 C ATOM 1914 CD LYS A 57 6.263 2.743 -9.142 1.00 0.00 C ATOM 1915 CE LYS A 57 6.273 4.198 -8.677 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.297 4.979 -9.490 1.00 0.00 N ATOM 0 H LYS A 57 7.414 0.203 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 57 8.540 -1.236 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.701 0.696 -10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.505 0.122 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.292 1.902 -7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.361 2.517 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.333 2.701 -10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.320 2.271 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.013 4.256 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.273 4.619 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.810 5.641 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.732 4.329 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.667 5.513 -8.858 1.00 0.00 H new ATOM 1930 N VAL A 58 10.314 0.547 -9.916 1.00 0.00 N ATOM 1931 CA VAL A 58 11.639 1.153 -10.204 1.00 0.00 C ATOM 1932 C VAL A 58 11.730 2.515 -9.523 1.00 0.00 C ATOM 1933 O VAL A 58 10.727 3.124 -9.207 1.00 0.00 O ATOM 1934 CB VAL A 58 11.784 1.334 -11.712 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.820 -0.038 -12.386 1.00 0.00 C ATOM 1936 CG2 VAL A 58 10.596 2.138 -12.247 1.00 0.00 C ATOM 0 H VAL A 58 9.778 0.269 -10.738 1.00 0.00 H new ATOM 0 HA VAL A 58 12.431 0.505 -9.830 1.00 0.00 H new ATOM 0 HB VAL A 58 12.709 1.869 -11.928 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.924 0.089 -13.464 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.667 -0.609 -12.005 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.895 -0.573 -12.171 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.700 2.267 -13.324 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.670 1.605 -12.033 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.572 3.115 -11.765 1.00 0.00 H new ATOM 1946 N SER A 59 12.917 3.009 -9.291 1.00 0.00 N ATOM 1947 CA SER A 59 13.039 4.339 -8.629 1.00 0.00 C ATOM 1948 C SER A 59 12.929 5.439 -9.687 1.00 0.00 C ATOM 1949 O SER A 59 13.875 5.732 -10.393 1.00 0.00 O ATOM 1950 CB SER A 59 14.387 4.442 -7.914 1.00 0.00 C ATOM 1951 OG SER A 59 15.434 4.189 -8.842 1.00 0.00 O ATOM 0 H SER A 59 13.799 2.554 -9.529 1.00 0.00 H new ATOM 0 HA SER A 59 12.241 4.455 -7.896 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.505 5.434 -7.477 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.432 3.725 -7.094 1.00 0.00 H new ATOM 0 HG SER A 59 15.237 4.641 -9.689 1.00 0.00 H new ATOM 1957 N SER A 60 11.778 6.050 -9.803 1.00 0.00 N ATOM 1958 CA SER A 60 11.598 7.131 -10.817 1.00 0.00 C ATOM 1959 C SER A 60 10.438 8.045 -10.402 1.00 0.00 C ATOM 1960 O SER A 60 9.477 7.610 -9.799 1.00 0.00 O ATOM 1961 CB SER A 60 11.284 6.501 -12.174 1.00 0.00 C ATOM 1962 OG SER A 60 12.442 5.837 -12.664 1.00 0.00 O ATOM 0 H SER A 60 10.954 5.846 -9.238 1.00 0.00 H new ATOM 0 HA SER A 60 12.513 7.719 -10.884 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.459 5.795 -12.078 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.965 7.269 -12.879 1.00 0.00 H new ATOM 0 HG SER A 60 13.193 5.997 -12.055 1.00 0.00 H new ATOM 1968 N LYS A 61 10.515 9.308 -10.734 1.00 0.00 N ATOM 1969 CA LYS A 61 9.416 10.256 -10.378 1.00 0.00 C ATOM 1970 C LYS A 61 9.479 11.454 -11.331 1.00 0.00 C ATOM 1971 O LYS A 61 8.535 11.749 -12.037 1.00 0.00 O ATOM 1972 CB LYS A 61 9.597 10.733 -8.925 1.00 0.00 C ATOM 1973 CG LYS A 61 8.498 11.738 -8.520 1.00 0.00 C ATOM 1974 CD LYS A 61 7.150 11.030 -8.341 1.00 0.00 C ATOM 1975 CE LYS A 61 6.171 11.980 -7.644 1.00 0.00 C ATOM 1976 NZ LYS A 61 6.692 12.331 -6.294 1.00 0.00 N ATOM 0 H LYS A 61 11.296 9.726 -11.239 1.00 0.00 H new ATOM 0 HA LYS A 61 8.449 9.761 -10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.573 9.875 -8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.576 11.198 -8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.778 12.235 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.409 12.512 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.753 10.727 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.278 10.123 -7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.038 12.883 -8.240 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.192 11.509 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.940 12.202 -5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.496 11.714 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.005 13.323 -6.290 1.00 0.00 H new ATOM 1990 N GLY A 62 10.587 12.143 -11.352 1.00 0.00 N ATOM 1991 CA GLY A 62 10.724 13.326 -12.251 1.00 0.00 C ATOM 1992 C GLY A 62 12.169 13.826 -12.213 1.00 0.00 C ATOM 1993 O GLY A 62 13.058 13.138 -11.751 1.00 0.00 O ATOM 0 H GLY A 62 11.408 11.937 -10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.447 13.056 -13.270 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.045 14.118 -11.935 1.00 0.00 H new ATOM 1997 N LYS A 63 12.411 15.024 -12.689 1.00 0.00 N ATOM 1998 CA LYS A 63 13.799 15.590 -12.675 1.00 0.00 C ATOM 1999 C LYS A 63 13.745 17.038 -12.179 1.00 0.00 C ATOM 2000 O LYS A 63 12.795 17.752 -12.427 1.00 0.00 O ATOM 2001 CB LYS A 63 14.402 15.549 -14.083 1.00 0.00 C ATOM 2002 CG LYS A 63 15.815 16.133 -14.033 1.00 0.00 C ATOM 2003 CD LYS A 63 16.554 15.838 -15.342 1.00 0.00 C ATOM 2004 CE LYS A 63 15.950 16.658 -16.486 1.00 0.00 C ATOM 2005 NZ LYS A 63 16.887 16.647 -17.646 1.00 0.00 N ATOM 0 H LYS A 63 11.702 15.639 -13.089 1.00 0.00 H new ATOM 0 HA LYS A 63 14.424 14.994 -12.010 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.431 14.523 -14.451 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.783 16.119 -14.775 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.766 17.209 -13.869 1.00 0.00 H new ATOM 0 HG3 LYS A 63 16.363 15.707 -13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.612 16.077 -15.233 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.489 14.775 -15.573 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.986 16.242 -16.778 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.769 17.682 -16.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.481 17.203 -18.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.797 17.063 -17.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.038 15.667 -17.961 1.00 0.00 H new ATOM 2019 N LYS A 64 14.749 17.473 -11.467 1.00 0.00 N ATOM 2020 CA LYS A 64 14.736 18.869 -10.945 1.00 0.00 C ATOM 2021 C LYS A 64 14.690 19.861 -12.108 1.00 0.00 C ATOM 2022 O LYS A 64 15.329 19.679 -13.127 1.00 0.00 O ATOM 2023 CB LYS A 64 15.983 19.129 -10.099 1.00 0.00 C ATOM 2024 CG LYS A 64 15.910 18.299 -8.814 1.00 0.00 C ATOM 2025 CD LYS A 64 17.158 18.561 -7.970 1.00 0.00 C ATOM 2026 CE LYS A 64 17.080 17.774 -6.658 1.00 0.00 C ATOM 2027 NZ LYS A 64 16.631 16.377 -6.924 1.00 0.00 N ATOM 0 H LYS A 64 15.574 16.925 -11.225 1.00 0.00 H new ATOM 0 HA LYS A 64 13.850 19.001 -10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.879 18.868 -10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.056 20.189 -9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.014 18.559 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.837 17.239 -9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.050 18.270 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.247 19.627 -7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.056 17.764 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.387 18.262 -5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.882 15.772 -6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.600 16.364 -7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.097 16.020 -7.782 1.00 0.00 H new ATOM 2041 N ARG A 65 13.924 20.910 -11.960 1.00 0.00 N ATOM 2042 CA ARG A 65 13.804 21.930 -13.040 1.00 0.00 C ATOM 2043 C ARG A 65 13.569 23.309 -12.416 1.00 0.00 C ATOM 2044 O ARG A 65 12.991 23.431 -11.354 1.00 0.00 O ATOM 2045 CB ARG A 65 12.626 21.557 -13.942 1.00 0.00 C ATOM 2046 CG ARG A 65 12.371 22.670 -14.962 1.00 0.00 C ATOM 2047 CD ARG A 65 11.342 22.184 -15.981 1.00 0.00 C ATOM 2048 NE ARG A 65 10.045 21.931 -15.289 1.00 0.00 N ATOM 2049 CZ ARG A 65 8.958 21.750 -15.988 1.00 0.00 C ATOM 2050 NH1 ARG A 65 9.017 21.732 -17.291 1.00 0.00 N ATOM 2051 NH2 ARG A 65 7.814 21.575 -15.385 1.00 0.00 N ATOM 0 H ARG A 65 13.370 21.104 -11.126 1.00 0.00 H new ATOM 0 HA ARG A 65 14.720 21.960 -13.630 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.836 20.621 -14.459 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.733 21.395 -13.338 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.008 23.566 -14.459 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.300 22.940 -15.464 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.210 22.929 -16.765 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.694 21.272 -16.464 1.00 0.00 H new ATOM 0 HE ARG A 65 10.008 21.899 -14.270 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.912 21.859 -17.763 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.168 21.591 -17.838 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.769 21.580 -14.366 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.965 21.434 -15.933 1.00 0.00 H new ATOM 2065 N ARG A 66 14.014 24.348 -13.070 1.00 0.00 N ATOM 2066 CA ARG A 66 13.818 25.721 -12.521 1.00 0.00 C ATOM 2067 C ARG A 66 13.890 26.734 -13.665 1.00 0.00 C ATOM 2068 O ARG A 66 12.941 27.483 -13.829 1.00 0.00 O ATOM 2069 CB ARG A 66 14.921 26.022 -11.499 1.00 0.00 C ATOM 2070 CG ARG A 66 14.577 27.297 -10.702 1.00 0.00 C ATOM 2071 CD ARG A 66 14.801 28.561 -11.555 1.00 0.00 C ATOM 2072 NE ARG A 66 15.236 29.686 -10.666 1.00 0.00 N ATOM 2073 CZ ARG A 66 14.576 29.983 -9.576 1.00 0.00 C ATOM 2074 NH1 ARG A 66 13.415 29.440 -9.338 1.00 0.00 N ATOM 2075 NH2 ARG A 66 15.055 30.873 -8.751 1.00 0.00 N ATOM 2076 OXT ARG A 66 14.892 26.742 -14.360 1.00 0.00 O ATOM 0 H ARG A 66 14.506 24.305 -13.963 1.00 0.00 H new ATOM 0 HA ARG A 66 12.845 25.788 -12.034 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.035 25.179 -10.818 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.875 26.151 -12.010 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.538 27.255 -10.374 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.193 27.346 -9.804 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.557 28.371 -12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.883 28.829 -12.077 1.00 0.00 H new ATOM 0 HE ARG A 66 16.062 30.230 -10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.015 28.779 -10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.906 29.676 -8.486 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.941 31.335 -8.957 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.543 31.107 -7.900 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -11.768 3.224 2.273 1.00 0.00 ZN