USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=35 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 21 SER OG : rot 180:sc= 0.0197 USER MOD Set 1.2: A 23 MET CE :methyl 178:sc= -0.0181 (180deg=-0.0245) USER MOD Set 2.1: A 16 THR OG1 : rot -140:sc= -0.533 USER MOD Set 2.2: C 125 DT C7 :methyl 150:sc= -1.44 (180deg=-0.952) USER MOD Set 3.1: A 12 THR OG1 : rot -110:sc= 0.00265 USER MOD Set 3.2: A 14 THR OG1 : rot -154:sc= 1.09 USER MOD Single : A 1 LYS N :NH3+ -156:sc= -0.179 (180deg=-1.07) USER MOD Single : A 1 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.182) USER MOD Single : A 5 THR OG1 : rot 90:sc= 0.324 USER MOD Single : A 8 SER OG : rot 71:sc= 0.619 USER MOD Single : A 9 ASN : amide:sc= -1.79! C(o=-1.8!,f=-2!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 13 SER OG : rot -27:sc= 0.226 USER MOD Single : A 15 THR OG1 : rot -132:sc= 0.267 USER MOD Single : A 29 ASN :FLIP amide:sc= -4.93! C(o=-8.4!,f=-4.9!) 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+ -120:sc= -3.25 (180deg=-5.22!) USER MOD Single : A 38 HIS : no HE2:sc= -7.09! C(o=-7.1!,f=-12!) USER MOD Single : A 39 GLN : amide:sc= -0.0668 K(o=-0.067,f=-2.2!) USER MOD Single : A 41 ASN : amide:sc= -0.836 K(o=-0.84,f=-7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -175:sc= -1.52 (180deg=-1.69) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= -0.247 (180deg=-1.28!) USER MOD Single : A 52 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.95) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= 0.111 (180deg=0.056) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= 0.475 (180deg=0.237) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.149) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 DG O5' : rot 180:sc= 0 USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.834 (180deg=-1.63) USER MOD Single : B 103 DT C7 :methyl -30:sc= -0.67 (180deg=-1.49!) USER MOD Single : B 109 DT C7 :methyl 150:sc= -2.4 (180deg=-2.4) USER MOD Single : B 115 DT C7 :methyl -30:sc= -0.677 (180deg=-1.21) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.958 (180deg=-0.958) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 86:sc= -2.28! USER MOD Single : C 119 DT C7 :methyl -30:sc= -0.326 (180deg=-0.917) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.809 (180deg=-0.809) USER MOD Single : C 122 DT C7 :methyl -30:sc= -0.931 (180deg=-1.01) USER MOD Single : C 123 DT C7 :methyl -30:sc= -2.23 (180deg=-7.89!) USER MOD Single : C 127 DT C7 :methyl 150:sc= -0.961 (180deg=-0.961) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 18.521 23.877 12.177 1.00 0.00 O ATOM 2 C5' DG B 101 18.509 23.497 13.555 1.00 0.00 C ATOM 3 C4' DG B 101 17.280 22.651 13.902 1.00 0.00 C ATOM 4 O4' DG B 101 16.089 23.474 13.870 1.00 0.00 O ATOM 5 C3' DG B 101 17.077 21.483 12.926 1.00 0.00 C ATOM 6 O3' DG B 101 17.021 20.239 13.645 1.00 0.00 O ATOM 7 C2' DG B 101 15.760 21.756 12.231 1.00 0.00 C ATOM 8 C1' DG B 101 15.105 22.920 12.969 1.00 0.00 C ATOM 9 N9 DG B 101 14.608 23.954 12.030 1.00 0.00 N ATOM 10 C8 DG B 101 15.235 24.538 10.965 1.00 0.00 C ATOM 11 N7 DG B 101 14.527 25.418 10.318 1.00 0.00 N ATOM 12 C5 DG B 101 13.316 25.426 11.011 1.00 0.00 C ATOM 13 C6 DG B 101 12.132 26.192 10.783 1.00 0.00 C ATOM 14 O6 DG B 101 11.909 27.025 9.905 1.00 0.00 O ATOM 15 N1 DG B 101 11.151 25.897 11.718 1.00 0.00 N ATOM 16 C2 DG B 101 11.277 24.982 12.740 1.00 0.00 C ATOM 17 N2 DG B 101 10.218 24.847 13.536 1.00 0.00 N ATOM 18 N3 DG B 101 12.381 24.260 12.956 1.00 0.00 N ATOM 19 C4 DG B 101 13.356 24.532 12.059 1.00 0.00 C ATOM 0 H5' DG B 101 18.523 24.391 14.179 1.00 0.00 H new ATOM 0 H5'' DG B 101 19.414 22.934 13.785 1.00 0.00 H new ATOM 0 H4' DG B 101 17.452 22.245 14.899 1.00 0.00 H new ATOM 0 H3' DG B 101 17.897 21.403 12.212 1.00 0.00 H new ATOM 0 H2' DG B 101 15.921 22.005 11.182 1.00 0.00 H new ATOM 0 H2'' DG B 101 15.120 20.874 12.255 1.00 0.00 H new ATOM 0 HO5' DG B 101 19.318 24.417 11.993 1.00 0.00 H new ATOM 0 H1' DG B 101 14.236 22.563 13.522 1.00 0.00 H new ATOM 0 H8 DG B 101 16.246 24.287 10.681 1.00 0.00 H new ATOM 0 H1 DG B 101 10.265 26.398 11.643 1.00 0.00 H new ATOM 0 H21 DG B 101 10.245 24.186 14.313 1.00 0.00 H new ATOM 0 H22 DG B 101 9.380 25.404 13.369 1.00 0.00 H new ATOM 32 P DT B 102 16.747 18.840 12.884 1.00 0.00 P ATOM 33 OP1 DT B 102 17.527 17.784 13.570 1.00 0.00 O ATOM 34 OP2 DT B 102 16.925 19.062 11.432 1.00 0.00 O ATOM 35 O5' DT B 102 15.179 18.565 13.165 1.00 0.00 O ATOM 36 C5' DT B 102 14.708 18.435 14.511 1.00 0.00 C ATOM 37 C4' DT B 102 13.197 18.180 14.594 1.00 0.00 C ATOM 38 O4' DT B 102 12.459 19.369 14.218 1.00 0.00 O ATOM 39 C3' DT B 102 12.726 17.038 13.681 1.00 0.00 C ATOM 40 O3' DT B 102 12.100 16.010 14.459 1.00 0.00 O ATOM 41 C2' DT B 102 11.726 17.651 12.732 1.00 0.00 C ATOM 42 C1' DT B 102 11.412 19.034 13.276 1.00 0.00 C ATOM 43 N1 DT B 102 11.317 20.052 12.192 1.00 0.00 N ATOM 44 C2 DT B 102 10.121 20.745 12.044 1.00 0.00 C ATOM 45 O2 DT B 102 9.149 20.526 12.762 1.00 0.00 O ATOM 46 N3 DT B 102 10.087 21.695 11.041 1.00 0.00 N ATOM 47 C4 DT B 102 11.124 22.007 10.182 1.00 0.00 C ATOM 48 O4 DT B 102 10.984 22.868 9.318 1.00 0.00 O ATOM 49 C5 DT B 102 12.326 21.237 10.406 1.00 0.00 C ATOM 50 C7 DT B 102 13.546 21.493 9.520 1.00 0.00 C ATOM 51 C6 DT B 102 12.384 20.304 11.383 1.00 0.00 C ATOM 0 H5' DT B 102 14.949 19.343 15.064 1.00 0.00 H new ATOM 0 H5'' DT B 102 15.237 17.616 14.998 1.00 0.00 H new ATOM 0 H4' DT B 102 13.004 17.902 15.630 1.00 0.00 H new ATOM 0 H3' DT B 102 13.560 16.583 13.146 1.00 0.00 H new ATOM 0 H2' DT B 102 12.135 17.714 11.724 1.00 0.00 H new ATOM 0 H2'' DT B 102 10.823 17.043 12.672 1.00 0.00 H new ATOM 0 H1' DT B 102 10.438 19.029 13.765 1.00 0.00 H new ATOM 0 H3 DT B 102 9.217 22.214 10.924 1.00 0.00 H new ATOM 0 H71 DT B 102 13.217 21.823 8.535 1.00 0.00 H new ATOM 0 H72 DT B 102 14.168 22.265 9.972 1.00 0.00 H new ATOM 0 H73 DT B 102 14.123 20.574 9.421 1.00 0.00 H new ATOM 0 H6 DT B 102 13.297 19.746 11.525 1.00 0.00 H new ATOM 64 P DT B 103 11.506 14.682 13.764 1.00 0.00 P ATOM 65 OP1 DT B 103 11.475 13.600 14.773 1.00 0.00 O ATOM 66 OP2 DT B 103 12.213 14.475 12.479 1.00 0.00 O ATOM 67 O5' DT B 103 9.982 15.119 13.441 1.00 0.00 O ATOM 68 C5' DT B 103 9.111 15.484 14.520 1.00 0.00 C ATOM 69 C4' DT B 103 7.702 15.877 14.049 1.00 0.00 C ATOM 70 O4' DT B 103 7.726 17.131 13.319 1.00 0.00 O ATOM 71 C3' DT B 103 7.069 14.814 13.142 1.00 0.00 C ATOM 72 O3' DT B 103 5.860 14.341 13.729 1.00 0.00 O ATOM 73 C2' DT B 103 6.763 15.521 11.839 1.00 0.00 C ATOM 74 C1' DT B 103 6.944 17.009 12.111 1.00 0.00 C ATOM 75 N1 DT B 103 7.596 17.708 10.970 1.00 0.00 N ATOM 76 C2 DT B 103 6.910 18.740 10.342 1.00 0.00 C ATOM 77 O2 DT B 103 5.781 19.079 10.686 1.00 0.00 O ATOM 78 N3 DT B 103 7.574 19.369 9.304 1.00 0.00 N ATOM 79 C4 DT B 103 8.844 19.065 8.848 1.00 0.00 C ATOM 80 O4 DT B 103 9.339 19.685 7.911 1.00 0.00 O ATOM 81 C5 DT B 103 9.482 17.983 9.562 1.00 0.00 C ATOM 82 C7 DT B 103 10.902 17.569 9.170 1.00 0.00 C ATOM 83 C6 DT B 103 8.848 17.352 10.577 1.00 0.00 C ATOM 0 H5' DT B 103 9.550 16.318 15.068 1.00 0.00 H new ATOM 0 H5'' DT B 103 9.035 14.649 15.217 1.00 0.00 H new ATOM 0 H4' DT B 103 7.103 15.974 14.955 1.00 0.00 H new ATOM 0 H3' DT B 103 7.728 13.959 12.995 1.00 0.00 H new ATOM 0 H2' DT B 103 7.433 15.186 11.047 1.00 0.00 H new ATOM 0 H2'' DT B 103 5.747 15.306 11.509 1.00 0.00 H new ATOM 0 H1' DT B 103 5.972 17.486 12.234 1.00 0.00 H new ATOM 0 H3 DT B 103 7.082 20.127 8.831 1.00 0.00 H new ATOM 0 H71 DT B 103 11.058 17.763 8.109 1.00 0.00 H new ATOM 0 H72 DT B 103 11.622 18.143 9.753 1.00 0.00 H new ATOM 0 H73 DT B 103 11.039 16.506 9.368 1.00 0.00 H new ATOM 0 H6 DT B 103 9.350 16.544 11.089 1.00 0.00 H new ATOM 96 P DG B 104 5.005 13.156 13.060 1.00 0.00 P ATOM 97 OP1 DG B 104 4.187 12.517 14.116 1.00 0.00 O ATOM 98 OP2 DG B 104 5.921 12.334 12.238 1.00 0.00 O ATOM 99 O5' DG B 104 4.018 13.958 12.075 1.00 0.00 O ATOM 100 C5' DG B 104 3.109 14.925 12.602 1.00 0.00 C ATOM 101 C4' DG B 104 2.260 15.576 11.506 1.00 0.00 C ATOM 102 O4' DG B 104 3.078 16.387 10.628 1.00 0.00 O ATOM 103 C3' DG B 104 1.546 14.526 10.647 1.00 0.00 C ATOM 104 O3' DG B 104 0.136 14.723 10.723 1.00 0.00 O ATOM 105 C2' DG B 104 2.013 14.766 9.235 1.00 0.00 C ATOM 106 C1' DG B 104 2.812 16.057 9.245 1.00 0.00 C ATOM 107 N9 DG B 104 4.068 15.927 8.475 1.00 0.00 N ATOM 108 C8 DG B 104 5.078 15.017 8.610 1.00 0.00 C ATOM 109 N7 DG B 104 6.074 15.171 7.791 1.00 0.00 N ATOM 110 C5 DG B 104 5.701 16.279 7.036 1.00 0.00 C ATOM 111 C6 DG B 104 6.388 16.932 5.976 1.00 0.00 C ATOM 112 O6 DG B 104 7.483 16.653 5.493 1.00 0.00 O ATOM 113 N1 DG B 104 5.665 18.012 5.488 1.00 0.00 N ATOM 114 C2 DG B 104 4.432 18.418 5.957 1.00 0.00 C ATOM 115 N2 DG B 104 3.897 19.484 5.362 1.00 0.00 N ATOM 116 N3 DG B 104 3.782 17.806 6.954 1.00 0.00 N ATOM 117 C4 DG B 104 4.472 16.750 7.445 1.00 0.00 C ATOM 0 H5' DG B 104 3.668 15.696 13.133 1.00 0.00 H new ATOM 0 H5'' DG B 104 2.455 14.447 13.331 1.00 0.00 H new ATOM 0 H4' DG B 104 1.523 16.197 12.015 1.00 0.00 H new ATOM 0 H3' DG B 104 1.766 13.512 10.981 1.00 0.00 H new ATOM 0 H2' DG B 104 2.626 13.936 8.885 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.164 14.843 8.556 1.00 0.00 H new ATOM 0 H1' DG B 104 2.244 16.853 8.764 1.00 0.00 H new ATOM 0 H8 DG B 104 5.050 14.226 9.345 1.00 0.00 H new ATOM 0 H1 DG B 104 6.077 18.547 4.724 1.00 0.00 H new ATOM 0 H21 DG B 104 2.987 19.833 5.663 1.00 0.00 H new ATOM 0 H22 DG B 104 4.397 19.950 4.605 1.00 0.00 H new ATOM 129 P DC B 105 -0.889 13.759 9.940 1.00 0.00 P ATOM 130 OP1 DC B 105 -2.190 13.806 10.643 1.00 0.00 O ATOM 131 OP2 DC B 105 -0.216 12.460 9.724 1.00 0.00 O ATOM 132 O5' DC B 105 -1.068 14.476 8.506 1.00 0.00 O ATOM 133 C5' DC B 105 -1.582 15.806 8.425 1.00 0.00 C ATOM 134 C4' DC B 105 -1.679 16.309 6.978 1.00 0.00 C ATOM 135 O4' DC B 105 -0.365 16.546 6.405 1.00 0.00 O ATOM 136 C3' DC B 105 -2.399 15.303 6.075 1.00 0.00 C ATOM 137 O3' DC B 105 -3.498 15.956 5.441 1.00 0.00 O ATOM 138 C2' DC B 105 -1.382 14.864 5.052 1.00 0.00 C ATOM 139 C1' DC B 105 -0.253 15.879 5.122 1.00 0.00 C ATOM 140 N1 DC B 105 1.089 15.249 4.964 1.00 0.00 N ATOM 141 C2 DC B 105 1.902 15.676 3.915 1.00 0.00 C ATOM 142 O2 DC B 105 1.494 16.530 3.131 1.00 0.00 O ATOM 143 N3 DC B 105 3.144 15.130 3.795 1.00 0.00 N ATOM 144 C4 DC B 105 3.576 14.207 4.663 1.00 0.00 C ATOM 145 N4 DC B 105 4.794 13.687 4.512 1.00 0.00 N ATOM 146 C5 DC B 105 2.748 13.768 5.742 1.00 0.00 C ATOM 147 C6 DC B 105 1.520 14.311 5.848 1.00 0.00 C ATOM 0 H5' DC B 105 -0.940 16.476 8.997 1.00 0.00 H new ATOM 0 H5'' DC B 105 -2.569 15.840 8.885 1.00 0.00 H new ATOM 0 H4' DC B 105 -2.243 17.240 7.025 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.788 14.448 6.629 1.00 0.00 H new ATOM 0 H2' DC B 105 -1.018 13.860 5.270 1.00 0.00 H new ATOM 0 H2'' DC B 105 -1.820 14.835 4.054 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.343 16.588 4.299 1.00 0.00 H new ATOM 0 H41 DC B 105 5.133 12.983 5.168 1.00 0.00 H new ATOM 0 H42 DC B 105 5.387 13.993 3.741 1.00 0.00 H new ATOM 0 H5 DC B 105 3.095 13.027 6.447 1.00 0.00 H new ATOM 0 H6 DC B 105 0.867 13.996 6.649 1.00 0.00 H new ATOM 159 P DA B 106 -4.479 15.197 4.419 1.00 0.00 P ATOM 160 OP1 DA B 106 -5.839 15.763 4.574 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.267 13.739 4.563 1.00 0.00 O ATOM 162 O5' DA B 106 -3.906 15.652 2.983 1.00 0.00 O ATOM 163 C5' DA B 106 -3.882 17.043 2.647 1.00 0.00 C ATOM 164 C4' DA B 106 -3.307 17.303 1.249 1.00 0.00 C ATOM 165 O4' DA B 106 -1.892 16.991 1.185 1.00 0.00 O ATOM 166 C3' DA B 106 -4.025 16.460 0.192 1.00 0.00 C ATOM 167 O3' DA B 106 -4.633 17.301 -0.780 1.00 0.00 O ATOM 168 C2' DA B 106 -2.955 15.616 -0.465 1.00 0.00 C ATOM 169 C1' DA B 106 -1.617 16.083 0.089 1.00 0.00 C ATOM 170 N9 DA B 106 -0.824 14.943 0.555 1.00 0.00 N ATOM 171 C8 DA B 106 -1.143 14.067 1.522 1.00 0.00 C ATOM 172 N7 DA B 106 -0.246 13.165 1.782 1.00 0.00 N ATOM 173 C5 DA B 106 0.772 13.474 0.880 1.00 0.00 C ATOM 174 C6 DA B 106 2.020 12.895 0.622 1.00 0.00 C ATOM 175 N6 DA B 106 2.489 11.841 1.290 1.00 0.00 N ATOM 176 N1 DA B 106 2.769 13.447 -0.344 1.00 0.00 N ATOM 177 C2 DA B 106 2.323 14.504 -1.020 1.00 0.00 C ATOM 178 N3 DA B 106 1.160 15.134 -0.854 1.00 0.00 N ATOM 179 C4 DA B 106 0.428 14.558 0.123 1.00 0.00 C ATOM 0 H5' DA B 106 -3.288 17.581 3.386 1.00 0.00 H new ATOM 0 H5'' DA B 106 -4.895 17.443 2.699 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.456 18.364 1.048 1.00 0.00 H new ATOM 0 H3' DA B 106 -4.809 15.848 0.639 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.113 14.559 -0.252 1.00 0.00 H new ATOM 0 H2'' DA B 106 -2.985 15.730 -1.549 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.040 16.585 -0.688 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.085 14.110 2.049 1.00 0.00 H new ATOM 0 H61 DA B 106 3.406 11.459 1.061 1.00 0.00 H new ATOM 0 H62 DA B 106 1.930 11.417 2.031 1.00 0.00 H new ATOM 0 H2 DA B 106 2.975 14.894 -1.787 1.00 0.00 H new ATOM 191 P DG B 107 -5.517 16.649 -1.944 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.403 17.698 -2.500 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.093 15.384 -1.438 1.00 0.00 O ATOM 194 O5' DG B 107 -4.389 16.299 -3.033 1.00 0.00 O ATOM 195 C5' DG B 107 -3.655 17.339 -3.678 1.00 0.00 C ATOM 196 C4' DG B 107 -2.629 16.771 -4.661 1.00 0.00 C ATOM 197 O4' DG B 107 -1.527 16.115 -3.974 1.00 0.00 O ATOM 198 C3' DG B 107 -3.266 15.746 -5.602 1.00 0.00 C ATOM 199 O3' DG B 107 -3.107 16.165 -6.955 1.00 0.00 O ATOM 200 C2' DG B 107 -2.519 14.460 -5.356 1.00 0.00 C ATOM 201 C1' DG B 107 -1.258 14.842 -4.607 1.00 0.00 C ATOM 202 N9 DG B 107 -0.861 13.799 -3.631 1.00 0.00 N ATOM 203 C8 DG B 107 -1.562 13.282 -2.573 1.00 0.00 C ATOM 204 N7 DG B 107 -0.955 12.360 -1.915 1.00 0.00 N ATOM 205 C5 DG B 107 0.259 12.230 -2.564 1.00 0.00 C ATOM 206 C6 DG B 107 1.332 11.360 -2.274 1.00 0.00 C ATOM 207 O6 DG B 107 1.404 10.533 -1.374 1.00 0.00 O ATOM 208 N1 DG B 107 2.382 11.526 -3.163 1.00 0.00 N ATOM 209 C2 DG B 107 2.404 12.426 -4.205 1.00 0.00 C ATOM 210 N2 DG B 107 3.526 12.445 -4.935 1.00 0.00 N ATOM 211 N3 DG B 107 1.382 13.261 -4.485 1.00 0.00 N ATOM 212 C4 DG B 107 0.341 13.105 -3.621 1.00 0.00 C ATOM 0 H5' DG B 107 -3.146 17.946 -2.929 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.343 17.997 -4.208 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.255 17.623 -5.229 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.335 15.630 -5.423 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.123 13.764 -4.773 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.278 13.963 -6.296 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.410 14.928 -5.287 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.552 13.624 -2.311 1.00 0.00 H new ATOM 0 H1 DG B 107 3.203 10.935 -3.035 1.00 0.00 H new ATOM 0 H21 DG B 107 3.611 13.087 -5.723 1.00 0.00 H new ATOM 0 H22 DG B 107 4.296 11.817 -4.703 1.00 0.00 H new ATOM 224 P DA B 108 -3.675 15.290 -8.177 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.121 16.218 -9.241 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.617 14.290 -7.630 1.00 0.00 O ATOM 227 O5' DA B 108 -2.366 14.509 -8.704 1.00 0.00 O ATOM 228 C5' DA B 108 -1.239 15.252 -9.175 1.00 0.00 C ATOM 229 C4' DA B 108 -0.100 14.351 -9.667 1.00 0.00 C ATOM 230 O4' DA B 108 0.554 13.659 -8.570 1.00 0.00 O ATOM 231 C3' DA B 108 -0.618 13.294 -10.648 1.00 0.00 C ATOM 232 O3' DA B 108 0.155 13.343 -11.847 1.00 0.00 O ATOM 233 C2' DA B 108 -0.422 11.970 -9.947 1.00 0.00 C ATOM 234 C1' DA B 108 0.541 12.228 -8.802 1.00 0.00 C ATOM 235 N9 DA B 108 0.153 11.505 -7.572 1.00 0.00 N ATOM 236 C8 DA B 108 -1.021 11.564 -6.880 1.00 0.00 C ATOM 237 N7 DA B 108 -1.038 10.919 -5.755 1.00 0.00 N ATOM 238 C5 DA B 108 0.240 10.371 -5.690 1.00 0.00 C ATOM 239 C6 DA B 108 0.872 9.566 -4.741 1.00 0.00 C ATOM 240 N6 DA B 108 0.301 9.214 -3.596 1.00 0.00 N ATOM 241 N1 DA B 108 2.134 9.186 -4.987 1.00 0.00 N ATOM 242 C2 DA B 108 2.749 9.578 -6.096 1.00 0.00 C ATOM 243 N3 DA B 108 2.249 10.351 -7.063 1.00 0.00 N ATOM 244 C4 DA B 108 0.973 10.713 -6.791 1.00 0.00 C ATOM 0 H5' DA B 108 -0.870 15.892 -8.373 1.00 0.00 H new ATOM 0 H5'' DA B 108 -1.555 15.908 -9.987 1.00 0.00 H new ATOM 0 H4' DA B 108 0.616 15.008 -10.162 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.661 13.451 -10.921 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.371 11.583 -9.576 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.019 11.224 -10.632 1.00 0.00 H new ATOM 0 H1' DA B 108 1.533 11.861 -9.068 1.00 0.00 H new ATOM 0 H8 DA B 108 -1.878 12.111 -7.244 1.00 0.00 H new ATOM 0 H61 DA B 108 0.806 8.623 -2.935 1.00 0.00 H new ATOM 0 H62 DA B 108 -0.642 9.534 -3.377 1.00 0.00 H new ATOM 0 H2 DA B 108 3.764 9.234 -6.231 1.00 0.00 H new ATOM 256 P DT B 109 -0.135 12.357 -13.084 1.00 0.00 P ATOM 257 OP1 DT B 109 0.154 13.093 -14.335 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.461 11.734 -12.881 1.00 0.00 O ATOM 259 O5' DT B 109 0.993 11.225 -12.899 1.00 0.00 O ATOM 260 C5' DT B 109 2.369 11.606 -12.928 1.00 0.00 C ATOM 261 C4' DT B 109 3.316 10.419 -12.739 1.00 0.00 C ATOM 262 O4' DT B 109 3.223 9.911 -11.387 1.00 0.00 O ATOM 263 C3' DT B 109 3.008 9.267 -13.704 1.00 0.00 C ATOM 264 O3' DT B 109 4.147 9.009 -14.522 1.00 0.00 O ATOM 265 C2' DT B 109 2.725 8.063 -12.830 1.00 0.00 C ATOM 266 C1' DT B 109 3.013 8.483 -11.391 1.00 0.00 C ATOM 267 N1 DT B 109 1.888 8.121 -10.489 1.00 0.00 N ATOM 268 C2 DT B 109 2.141 7.268 -9.421 1.00 0.00 C ATOM 269 O2 DT B 109 3.253 6.786 -9.219 1.00 0.00 O ATOM 270 N3 DT B 109 1.067 6.996 -8.594 1.00 0.00 N ATOM 271 C4 DT B 109 -0.217 7.495 -8.738 1.00 0.00 C ATOM 272 O4 DT B 109 -1.096 7.199 -7.938 1.00 0.00 O ATOM 273 C5 DT B 109 -0.391 8.366 -9.874 1.00 0.00 C ATOM 274 C7 DT B 109 -1.776 8.973 -10.133 1.00 0.00 C ATOM 275 C6 DT B 109 0.647 8.644 -10.698 1.00 0.00 C ATOM 0 H5' DT B 109 2.554 12.341 -12.145 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.587 12.091 -13.879 1.00 0.00 H new ATOM 0 H4' DT B 109 4.320 10.790 -12.945 1.00 0.00 H new ATOM 0 H3' DT B 109 2.168 9.500 -14.358 1.00 0.00 H new ATOM 0 H2' DT B 109 1.689 7.742 -12.939 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.352 7.220 -13.119 1.00 0.00 H new ATOM 0 H1' DT B 109 3.897 7.963 -11.023 1.00 0.00 H new ATOM 0 H3 DT B 109 1.236 6.371 -7.806 1.00 0.00 H new ATOM 0 H71 DT B 109 -1.663 9.942 -10.620 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.350 8.307 -10.777 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.300 9.102 -9.186 1.00 0.00 H new ATOM 0 H6 DT B 109 0.487 9.297 -11.543 1.00 0.00 H new ATOM 288 P DA B 110 4.092 7.971 -15.751 1.00 0.00 P ATOM 289 OP1 DA B 110 5.195 8.294 -16.683 1.00 0.00 O ATOM 290 OP2 DA B 110 2.699 7.906 -16.245 1.00 0.00 O ATOM 291 O5' DA B 110 4.436 6.583 -15.023 1.00 0.00 O ATOM 292 C5' DA B 110 5.679 6.433 -14.346 1.00 0.00 C ATOM 293 C4' DA B 110 5.813 5.058 -13.697 1.00 0.00 C ATOM 294 O4' DA B 110 4.829 4.925 -12.637 1.00 0.00 O ATOM 295 C3' DA B 110 5.570 3.916 -14.680 1.00 0.00 C ATOM 296 O3' DA B 110 6.595 2.937 -14.492 1.00 0.00 O ATOM 297 C2' DA B 110 4.215 3.351 -14.332 1.00 0.00 C ATOM 298 C1' DA B 110 3.877 3.870 -12.939 1.00 0.00 C ATOM 299 N9 DA B 110 2.477 4.371 -12.860 1.00 0.00 N ATOM 300 C8 DA B 110 1.804 5.220 -13.699 1.00 0.00 C ATOM 301 N7 DA B 110 0.567 5.458 -13.371 1.00 0.00 N ATOM 302 C5 DA B 110 0.395 4.703 -12.212 1.00 0.00 C ATOM 303 C6 DA B 110 -0.699 4.516 -11.351 1.00 0.00 C ATOM 304 N6 DA B 110 -1.884 5.101 -11.531 1.00 0.00 N ATOM 305 N1 DA B 110 -0.525 3.705 -10.294 1.00 0.00 N ATOM 306 C2 DA B 110 0.651 3.113 -10.090 1.00 0.00 C ATOM 307 N3 DA B 110 1.748 3.220 -10.839 1.00 0.00 N ATOM 308 C4 DA B 110 1.548 4.038 -11.894 1.00 0.00 C ATOM 0 H5' DA B 110 5.772 7.205 -13.582 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.497 6.583 -15.051 1.00 0.00 H new ATOM 0 H4' DA B 110 6.834 4.991 -13.322 1.00 0.00 H new ATOM 0 H3' DA B 110 5.593 4.238 -15.721 1.00 0.00 H new ATOM 0 H2' DA B 110 3.465 3.667 -15.057 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.233 2.261 -14.347 1.00 0.00 H new ATOM 0 H1' DA B 110 3.948 3.063 -12.210 1.00 0.00 H new ATOM 0 H8 DA B 110 2.267 5.660 -14.570 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.643 4.928 -10.872 1.00 0.00 H new ATOM 0 H62 DA B 110 -2.031 5.721 -12.327 1.00 0.00 H new ATOM 0 H2 DA B 110 0.723 2.476 -9.221 1.00 0.00 H new ATOM 320 P DA B 111 6.679 1.579 -15.350 1.00 0.00 P ATOM 321 OP1 DA B 111 8.104 1.214 -15.511 1.00 0.00 O ATOM 322 OP2 DA B 111 5.808 1.716 -16.539 1.00 0.00 O ATOM 323 O5' DA B 111 6.000 0.529 -14.336 1.00 0.00 O ATOM 324 C5' DA B 111 6.595 0.324 -13.051 1.00 0.00 C ATOM 325 C4' DA B 111 5.828 -0.687 -12.199 1.00 0.00 C ATOM 326 O4' DA B 111 4.564 -0.124 -11.781 1.00 0.00 O ATOM 327 C3' DA B 111 5.553 -1.995 -12.943 1.00 0.00 C ATOM 328 O3' DA B 111 6.174 -3.063 -12.234 1.00 0.00 O ATOM 329 C2' DA B 111 4.046 -2.167 -12.923 1.00 0.00 C ATOM 330 C1' DA B 111 3.479 -1.023 -12.086 1.00 0.00 C ATOM 331 N9 DA B 111 2.408 -0.320 -12.819 1.00 0.00 N ATOM 332 C8 DA B 111 2.449 0.252 -14.054 1.00 0.00 C ATOM 333 N7 DA B 111 1.334 0.784 -14.456 1.00 0.00 N ATOM 334 C5 DA B 111 0.470 0.542 -13.391 1.00 0.00 C ATOM 335 C6 DA B 111 -0.878 0.851 -13.175 1.00 0.00 C ATOM 336 N6 DA B 111 -1.636 1.484 -14.071 1.00 0.00 N ATOM 337 N1 DA B 111 -1.421 0.464 -12.010 1.00 0.00 N ATOM 338 C2 DA B 111 -0.686 -0.188 -11.109 1.00 0.00 C ATOM 339 N3 DA B 111 0.594 -0.528 -11.213 1.00 0.00 N ATOM 340 C4 DA B 111 1.114 -0.128 -12.390 1.00 0.00 C ATOM 0 H5' DA B 111 6.644 1.276 -12.522 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.621 -0.021 -13.181 1.00 0.00 H new ATOM 0 H4' DA B 111 6.458 -0.910 -11.338 1.00 0.00 H new ATOM 0 H3' DA B 111 5.939 -1.987 -13.962 1.00 0.00 H new ATOM 0 H2' DA B 111 3.641 -2.142 -13.935 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.773 -3.131 -12.494 1.00 0.00 H new ATOM 0 H1' DA B 111 3.039 -1.410 -11.167 1.00 0.00 H new ATOM 0 H8 DA B 111 3.345 0.263 -14.657 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.614 1.684 -13.861 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.238 1.768 -14.966 1.00 0.00 H new ATOM 0 H2 DA B 111 -1.186 -0.471 -10.194 1.00 0.00 H new ATOM 352 P DA B 112 6.130 -4.582 -12.754 1.00 0.00 P ATOM 353 OP1 DA B 112 7.267 -5.315 -12.154 1.00 0.00 O ATOM 354 OP2 DA B 112 5.943 -4.571 -14.222 1.00 0.00 O ATOM 355 O5' DA B 112 4.776 -5.100 -12.075 1.00 0.00 O ATOM 356 C5' DA B 112 4.638 -5.085 -10.658 1.00 0.00 C ATOM 357 C4' DA B 112 3.267 -5.599 -10.236 1.00 0.00 C ATOM 358 O4' DA B 112 2.254 -4.651 -10.662 1.00 0.00 O ATOM 359 C3' DA B 112 2.943 -6.945 -10.891 1.00 0.00 C ATOM 360 O3' DA B 112 2.463 -7.859 -9.902 1.00 0.00 O ATOM 361 C2' DA B 112 1.864 -6.657 -11.901 1.00 0.00 C ATOM 362 C1' DA B 112 1.305 -5.284 -11.550 1.00 0.00 C ATOM 363 N9 DA B 112 1.052 -4.473 -12.767 1.00 0.00 N ATOM 364 C8 DA B 112 1.845 -4.265 -13.864 1.00 0.00 C ATOM 365 N7 DA B 112 1.305 -3.549 -14.806 1.00 0.00 N ATOM 366 C5 DA B 112 0.043 -3.255 -14.296 1.00 0.00 C ATOM 367 C6 DA B 112 -1.041 -2.525 -14.802 1.00 0.00 C ATOM 368 N6 DA B 112 -1.033 -1.933 -15.996 1.00 0.00 N ATOM 369 N1 DA B 112 -2.139 -2.432 -14.031 1.00 0.00 N ATOM 370 C2 DA B 112 -2.170 -3.020 -12.836 1.00 0.00 C ATOM 371 N3 DA B 112 -1.205 -3.733 -12.267 1.00 0.00 N ATOM 372 C4 DA B 112 -0.118 -3.810 -13.058 1.00 0.00 C ATOM 0 H5' DA B 112 4.780 -4.070 -10.286 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.416 -5.701 -10.207 1.00 0.00 H new ATOM 0 H4' DA B 112 3.278 -5.720 -9.153 1.00 0.00 H new ATOM 0 H3' DA B 112 3.819 -7.394 -11.359 1.00 0.00 H new ATOM 0 H2' DA B 112 2.267 -6.665 -12.914 1.00 0.00 H new ATOM 0 H2'' DA B 112 1.083 -7.416 -11.863 1.00 0.00 H new ATOM 0 H1' DA B 112 0.338 -5.378 -11.056 1.00 0.00 H new ATOM 0 H8 DA B 112 2.845 -4.666 -13.941 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.852 -1.414 -16.313 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.208 -1.999 -16.592 1.00 0.00 H new ATOM 0 H2 DA B 112 -3.081 -2.904 -12.267 1.00 0.00 H new ATOM 384 P DC B 113 2.036 -9.365 -10.278 1.00 0.00 P ATOM 385 OP1 DC B 113 2.390 -10.245 -9.142 1.00 0.00 O ATOM 386 OP2 DC B 113 2.560 -9.663 -11.630 1.00 0.00 O ATOM 387 O5' DC B 113 0.427 -9.281 -10.367 1.00 0.00 O ATOM 388 C5' DC B 113 -0.321 -8.883 -9.216 1.00 0.00 C ATOM 389 C4' DC B 113 -1.835 -8.855 -9.467 1.00 0.00 C ATOM 390 O4' DC B 113 -2.204 -7.770 -10.357 1.00 0.00 O ATOM 391 C3' DC B 113 -2.336 -10.159 -10.093 1.00 0.00 C ATOM 392 O3' DC B 113 -3.374 -10.710 -9.278 1.00 0.00 O ATOM 393 C2' DC B 113 -2.890 -9.783 -11.444 1.00 0.00 C ATOM 394 C1' DC B 113 -2.995 -8.267 -11.467 1.00 0.00 C ATOM 395 N1 DC B 113 -2.507 -7.691 -12.748 1.00 0.00 N ATOM 396 C2 DC B 113 -3.380 -6.915 -13.512 1.00 0.00 C ATOM 397 O2 DC B 113 -4.555 -6.789 -13.173 1.00 0.00 O ATOM 398 N3 DC B 113 -2.894 -6.310 -14.631 1.00 0.00 N ATOM 399 C4 DC B 113 -1.611 -6.452 -14.987 1.00 0.00 C ATOM 400 N4 DC B 113 -1.173 -5.845 -16.091 1.00 0.00 N ATOM 401 C5 DC B 113 -0.713 -7.249 -14.204 1.00 0.00 C ATOM 402 C6 DC B 113 -1.213 -7.852 -13.107 1.00 0.00 C ATOM 0 H5' DC B 113 0.008 -7.893 -8.900 1.00 0.00 H new ATOM 0 H5'' DC B 113 -0.107 -9.567 -8.395 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.296 -8.716 -8.489 1.00 0.00 H new ATOM 0 H3' DC B 113 -1.542 -10.901 -10.179 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.238 -10.138 -12.242 1.00 0.00 H new ATOM 0 H2'' DC B 113 -3.866 -10.241 -11.603 1.00 0.00 H new ATOM 0 H1' DC B 113 -4.040 -7.970 -11.377 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.198 -5.944 -16.375 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.813 -5.282 -16.651 1.00 0.00 H new ATOM 0 H5 DC B 113 0.324 -7.362 -14.482 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.569 -8.475 -12.504 1.00 0.00 H new ATOM 414 P DA B 114 -4.103 -12.087 -9.677 1.00 0.00 P ATOM 415 OP1 DA B 114 -4.660 -12.683 -8.442 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.186 -12.872 -10.531 1.00 0.00 O ATOM 417 O5' DA B 114 -5.335 -11.572 -10.584 1.00 0.00 O ATOM 418 C5' DA B 114 -6.312 -10.686 -10.031 1.00 0.00 C ATOM 419 C4' DA B 114 -7.403 -10.304 -11.045 1.00 0.00 C ATOM 420 O4' DA B 114 -6.876 -9.424 -12.075 1.00 0.00 O ATOM 421 C3' DA B 114 -8.001 -11.530 -11.743 1.00 0.00 C ATOM 422 O3' DA B 114 -9.422 -11.547 -11.585 1.00 0.00 O ATOM 423 C2' DA B 114 -7.644 -11.384 -13.202 1.00 0.00 C ATOM 424 C1' DA B 114 -7.171 -9.954 -13.392 1.00 0.00 C ATOM 425 N9 DA B 114 -5.993 -9.893 -14.269 1.00 0.00 N ATOM 426 C8 DA B 114 -4.802 -10.507 -14.104 1.00 0.00 C ATOM 427 N7 DA B 114 -3.900 -10.226 -14.991 1.00 0.00 N ATOM 428 C5 DA B 114 -4.561 -9.341 -15.838 1.00 0.00 C ATOM 429 C6 DA B 114 -4.160 -8.665 -16.992 1.00 0.00 C ATOM 430 N6 DA B 114 -2.928 -8.754 -17.488 1.00 0.00 N ATOM 431 N1 DA B 114 -5.064 -7.872 -17.594 1.00 0.00 N ATOM 432 C2 DA B 114 -6.291 -7.747 -17.086 1.00 0.00 C ATOM 433 N3 DA B 114 -6.771 -8.339 -15.991 1.00 0.00 N ATOM 434 C4 DA B 114 -5.841 -9.131 -15.412 1.00 0.00 C ATOM 0 H5' DA B 114 -5.818 -9.782 -9.676 1.00 0.00 H new ATOM 0 H5'' DA B 114 -6.775 -11.157 -9.164 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.180 -9.799 -10.470 1.00 0.00 H new ATOM 0 H3' DA B 114 -7.616 -12.459 -11.322 1.00 0.00 H new ATOM 0 H2' DA B 114 -6.863 -12.091 -13.482 1.00 0.00 H new ATOM 0 H2'' DA B 114 -8.506 -11.594 -13.835 1.00 0.00 H new ATOM 0 H1' DA B 114 -7.943 -9.358 -13.879 1.00 0.00 H new ATOM 0 H8 DA B 114 -4.613 -11.187 -13.287 1.00 0.00 H new ATOM 0 H61 DA B 114 -2.681 -8.241 -18.334 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.231 -9.335 -17.022 1.00 0.00 H new ATOM 0 H2 DA B 114 -6.969 -7.096 -17.618 1.00 0.00 H new ATOM 446 P DT B 115 -10.307 -12.731 -12.222 1.00 0.00 P ATOM 447 OP1 DT B 115 -11.561 -12.848 -11.444 1.00 0.00 O ATOM 448 OP2 DT B 115 -9.438 -13.913 -12.409 1.00 0.00 O ATOM 449 O5' DT B 115 -10.667 -12.134 -13.677 1.00 0.00 O ATOM 450 C5' DT B 115 -11.420 -10.921 -13.777 1.00 0.00 C ATOM 451 C4' DT B 115 -11.647 -10.484 -15.227 1.00 0.00 C ATOM 452 O4' DT B 115 -10.406 -10.025 -15.810 1.00 0.00 O ATOM 453 C3' DT B 115 -12.193 -11.623 -16.103 1.00 0.00 C ATOM 454 O3' DT B 115 -13.493 -11.294 -16.600 1.00 0.00 O ATOM 455 C2' DT B 115 -11.216 -11.744 -17.257 1.00 0.00 C ATOM 456 C1' DT B 115 -10.247 -10.567 -17.136 1.00 0.00 C ATOM 457 N1 DT B 115 -8.833 -10.980 -17.383 1.00 0.00 N ATOM 458 C2 DT B 115 -8.137 -10.364 -18.417 1.00 0.00 C ATOM 459 O2 DT B 115 -8.649 -9.502 -19.125 1.00 0.00 O ATOM 460 N3 DT B 115 -6.830 -10.777 -18.602 1.00 0.00 N ATOM 461 C4 DT B 115 -6.164 -11.733 -17.861 1.00 0.00 C ATOM 462 O4 DT B 115 -4.997 -12.021 -18.117 1.00 0.00 O ATOM 463 C5 DT B 115 -6.959 -12.323 -16.811 1.00 0.00 C ATOM 464 C7 DT B 115 -6.330 -13.411 -15.932 1.00 0.00 C ATOM 465 C6 DT B 115 -8.241 -11.935 -16.609 1.00 0.00 C ATOM 0 H5' DT B 115 -10.898 -10.129 -13.241 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.384 -11.055 -13.287 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.384 -9.682 -15.197 1.00 0.00 H new ATOM 0 H3' DT B 115 -12.287 -12.552 -15.541 1.00 0.00 H new ATOM 0 H2' DT B 115 -10.681 -12.692 -17.213 1.00 0.00 H new ATOM 0 H2'' DT B 115 -11.740 -11.718 -18.212 1.00 0.00 H new ATOM 0 H1' DT B 115 -10.474 -9.816 -17.893 1.00 0.00 H new ATOM 0 H3 DT B 115 -6.308 -10.333 -19.358 1.00 0.00 H new ATOM 0 H71 DT B 115 -5.586 -13.960 -16.509 1.00 0.00 H new ATOM 0 H72 DT B 115 -5.851 -12.949 -15.069 1.00 0.00 H new ATOM 0 H73 DT B 115 -7.105 -14.098 -15.592 1.00 0.00 H new ATOM 0 H6 DT B 115 -8.810 -12.394 -15.814 1.00 0.00 H new ATOM 478 P DT B 116 -14.388 -12.395 -17.368 1.00 0.00 P ATOM 479 OP1 DT B 116 -15.809 -12.007 -17.233 1.00 0.00 O ATOM 480 OP2 DT B 116 -13.946 -13.737 -16.928 1.00 0.00 O ATOM 481 O5' DT B 116 -13.961 -12.209 -18.910 1.00 0.00 O ATOM 482 C5' DT B 116 -14.158 -10.957 -19.571 1.00 0.00 C ATOM 483 C4' DT B 116 -13.508 -10.935 -20.958 1.00 0.00 C ATOM 484 O4' DT B 116 -12.067 -10.928 -20.838 1.00 0.00 O ATOM 485 C3' DT B 116 -13.908 -12.152 -21.808 1.00 0.00 C ATOM 486 O3' DT B 116 -14.718 -11.753 -22.916 1.00 0.00 O ATOM 487 C2' DT B 116 -12.609 -12.753 -22.299 1.00 0.00 C ATOM 488 C1' DT B 116 -11.481 -11.881 -21.750 1.00 0.00 C ATOM 489 N1 DT B 116 -10.452 -12.712 -21.067 1.00 0.00 N ATOM 490 C2 DT B 116 -9.151 -12.673 -21.547 1.00 0.00 C ATOM 491 O2 DT B 116 -8.830 -11.976 -22.507 1.00 0.00 O ATOM 492 N3 DT B 116 -8.234 -13.460 -20.879 1.00 0.00 N ATOM 493 C4 DT B 116 -8.492 -14.270 -19.789 1.00 0.00 C ATOM 494 O4 DT B 116 -7.594 -14.935 -19.281 1.00 0.00 O ATOM 495 C5 DT B 116 -9.869 -14.248 -19.352 1.00 0.00 C ATOM 496 C7 DT B 116 -10.280 -15.112 -18.154 1.00 0.00 C ATOM 497 C6 DT B 116 -10.787 -13.485 -19.993 1.00 0.00 C ATOM 0 H5' DT B 116 -13.741 -10.155 -18.962 1.00 0.00 H new ATOM 0 H5'' DT B 116 -15.226 -10.761 -19.667 1.00 0.00 H new ATOM 0 H4' DT B 116 -13.861 -10.029 -21.451 1.00 0.00 H new ATOM 0 H3' DT B 116 -14.493 -12.866 -21.228 1.00 0.00 H new ATOM 0 H2' DT B 116 -12.505 -13.782 -21.954 1.00 0.00 H new ATOM 0 H2'' DT B 116 -12.583 -12.778 -23.388 1.00 0.00 H new ATOM 0 HO3' DT B 116 -14.960 -12.542 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ATOM 0 H62 DA C 117 -3.867 -14.922 -20.270 1.00 0.00 H new ATOM 0 H2 DA C 117 -6.806 -11.845 -23.386 1.00 0.00 H new ATOM 542 P DA C 118 0.663 -8.726 -26.892 1.00 0.00 P ATOM 543 OP1 DA C 118 1.199 -8.159 -28.151 1.00 0.00 O ATOM 544 OP2 DA C 118 1.516 -8.761 -25.682 1.00 0.00 O ATOM 545 O5' DA C 118 -0.693 -7.929 -26.529 1.00 0.00 O ATOM 546 C5' DA C 118 -1.735 -7.817 -27.503 1.00 0.00 C ATOM 547 C4' DA C 118 -2.948 -7.028 -26.987 1.00 0.00 C ATOM 548 O4' DA C 118 -3.657 -7.795 -25.974 1.00 0.00 O ATOM 549 C3' DA C 118 -2.560 -5.683 -26.356 1.00 0.00 C ATOM 550 O3' DA C 118 -3.247 -4.621 -27.017 1.00 0.00 O ATOM 551 C2' DA C 118 -2.997 -5.748 -24.916 1.00 0.00 C ATOM 552 C1' DA C 118 -3.815 -7.017 -24.758 1.00 0.00 C ATOM 553 N9 DA C 118 -3.384 -7.773 -23.572 1.00 0.00 N ATOM 554 C8 DA C 118 -2.139 -8.201 -23.260 1.00 0.00 C ATOM 555 N7 DA C 118 -2.042 -8.863 -22.147 1.00 0.00 N ATOM 556 C5 DA C 118 -3.350 -8.870 -21.669 1.00 0.00 C ATOM 557 C6 DA C 118 -3.935 -9.412 -20.519 1.00 0.00 C ATOM 558 N6 DA C 118 -3.243 -10.092 -19.605 1.00 0.00 N ATOM 559 N1 DA C 118 -5.258 -9.232 -20.354 1.00 0.00 N ATOM 560 C2 DA C 118 -5.967 -8.561 -21.264 1.00 0.00 C ATOM 561 N3 DA C 118 -5.511 -8.010 -22.389 1.00 0.00 N ATOM 562 C4 DA C 118 -4.179 -8.206 -22.530 1.00 0.00 C ATOM 0 H5' DA C 118 -2.056 -8.815 -27.801 1.00 0.00 H new ATOM 0 H5'' DA C 118 -1.342 -7.329 -28.395 1.00 0.00 H new ATOM 0 H4' DA C 118 -3.575 -6.842 -27.859 1.00 0.00 H new ATOM 0 H3' DA C 118 -1.489 -5.500 -26.442 1.00 0.00 H new ATOM 0 H2' DA C 118 -2.133 -5.760 -24.251 1.00 0.00 H new ATOM 0 H2'' DA C 118 -3.590 -4.872 -24.653 1.00 0.00 H new ATOM 0 H1' DA C 118 -4.868 -6.778 -24.607 1.00 0.00 H new ATOM 0 H8 DA C 118 -1.286 -8.006 -23.892 1.00 0.00 H new ATOM 0 H61 DA C 118 -3.716 -10.468 -18.783 1.00 0.00 H new ATOM 0 H62 DA C 118 -2.241 -10.237 -19.728 1.00 0.00 H new ATOM 0 H2 DA C 118 -7.024 -8.453 -21.068 1.00 0.00 H new ATOM 574 P DT C 119 -3.043 -3.086 -26.574 1.00 0.00 P ATOM 575 OP1 DT C 119 -3.378 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ATOM 611 C4' DG C 120 -10.011 -1.319 -20.316 1.00 0.00 C ATOM 612 O4' DG C 120 -9.067 -2.297 -19.808 1.00 0.00 O ATOM 613 C3' DG C 120 -10.018 -0.120 -19.362 1.00 0.00 C ATOM 614 O3' DG C 120 -11.290 0.001 -18.728 1.00 0.00 O ATOM 615 C2' DG C 120 -8.973 -0.435 -18.318 1.00 0.00 C ATOM 616 C1' DG C 120 -8.579 -1.895 -18.511 1.00 0.00 C ATOM 617 N9 DG C 120 -7.119 -2.076 -18.405 1.00 0.00 N ATOM 618 C8 DG C 120 -6.135 -1.412 -19.060 1.00 0.00 C ATOM 619 N7 DG C 120 -4.922 -1.763 -18.754 1.00 0.00 N ATOM 620 C5 DG C 120 -5.113 -2.759 -17.800 1.00 0.00 C ATOM 621 C6 DG C 120 -4.157 -3.527 -17.080 1.00 0.00 C ATOM 622 O6 DG C 120 -2.929 -3.472 -17.141 1.00 0.00 O ATOM 623 N1 DG C 120 -4.770 -4.420 -16.211 1.00 0.00 N ATOM 624 C2 DG C 120 -6.135 -4.562 -16.053 1.00 0.00 C ATOM 625 N2 DG C 120 -6.534 -5.496 -15.189 1.00 0.00 N ATOM 626 N3 DG C 120 -7.038 -3.839 -16.726 1.00 0.00 N ATOM 627 C4 DG C 120 -6.459 -2.960 -17.578 1.00 0.00 C ATOM 0 H5' DG C 120 -9.514 -1.805 -22.354 1.00 0.00 H new ATOM 0 H5'' DG C 120 -10.481 -0.354 -22.183 1.00 0.00 H new ATOM 0 H4' DG C 120 -11.013 -1.746 -20.360 1.00 0.00 H new ATOM 0 H3' DG C 120 -9.817 0.812 -19.890 1.00 0.00 H new ATOM 0 H2' DG C 120 -8.107 0.217 -18.430 1.00 0.00 H new ATOM 0 H2'' DG C 120 -9.367 -0.271 -17.315 1.00 0.00 H new ATOM 0 H1' DG C 120 -9.018 -2.516 -17.730 1.00 0.00 H new ATOM 0 H8 DG C 120 -6.345 -0.642 -19.788 1.00 0.00 H new ATOM 0 H1 DG C 120 -4.166 -5.017 -15.646 1.00 0.00 H new ATOM 0 H21 DG C 120 -7.529 -5.650 -15.028 1.00 0.00 H new ATOM 0 H22 DG C 120 -5.844 -6.057 -14.689 1.00 0.00 H new ATOM 639 P DT C 121 -11.573 1.187 -17.681 1.00 0.00 P ATOM 640 OP1 DT C 121 -13.033 1.433 -17.635 1.00 0.00 O ATOM 641 OP2 DT C 121 -10.644 2.301 -17.979 1.00 0.00 O ATOM 642 O5' DT C 121 -11.129 0.513 -16.290 1.00 0.00 O ATOM 643 C5' DT C 121 -11.777 -0.668 -15.825 1.00 0.00 C ATOM 644 C4' DT C 121 -11.052 -1.279 -14.619 1.00 0.00 C ATOM 645 O4' DT C 121 -9.776 -1.859 -15.004 1.00 0.00 O ATOM 646 C3' DT C 121 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H2'' DT C 121 -9.131 -0.467 -12.146 1.00 0.00 H new ATOM 0 H1' DT C 121 -8.730 -2.450 -13.298 1.00 0.00 H new ATOM 0 H3 DT C 121 -4.420 -2.680 -14.241 1.00 0.00 H new ATOM 0 H71 DT C 121 -6.484 1.128 -17.444 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.338 1.841 -16.285 1.00 0.00 H new ATOM 0 H73 DT C 121 -4.766 0.666 -17.493 1.00 0.00 H new ATOM 0 H6 DT C 121 -7.921 0.257 -15.730 1.00 0.00 H new ATOM 671 P DT C 122 -11.605 0.525 -11.139 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.856 0.276 -10.388 1.00 0.00 O ATOM 673 OP2 DT C 122 -11.314 1.880 -11.662 1.00 0.00 O ATOM 674 O5' DT C 122 -10.373 0.058 -10.221 1.00 0.00 O ATOM 675 C5' DT C 122 -10.349 -1.264 -9.687 1.00 0.00 C ATOM 676 C4' DT C 122 -9.099 -1.513 -8.843 1.00 0.00 C ATOM 677 O4' DT C 122 -7.918 -1.582 -9.681 1.00 0.00 O ATOM 678 C3' DT C 122 -8.892 -0.396 -7.813 1.00 0.00 C ATOM 679 O3' DT C 122 -8.980 -0.920 -6.490 1.00 0.00 O ATOM 680 C2' DT C 122 -7.501 0.140 -8.070 1.00 0.00 C ATOM 681 C1' DT C 122 -6.872 -0.749 -9.138 1.00 0.00 C ATOM 682 N1 DT C 122 -6.218 0.066 -10.207 1.00 0.00 N ATOM 683 C2 DT C 122 -4.853 -0.107 -10.419 1.00 0.00 C ATOM 684 O2 DT C 122 -4.181 -0.882 -9.743 1.00 0.00 O ATOM 685 N3 DT C 122 -4.290 0.654 -11.428 1.00 0.00 N ATOM 686 C4 DT C 122 -4.954 1.559 -12.235 1.00 0.00 C ATOM 687 O4 DT C 122 -4.351 2.175 -13.111 1.00 0.00 O ATOM 688 C5 DT C 122 -6.365 1.681 -11.948 1.00 0.00 C ATOM 689 C7 DT C 122 -7.199 2.677 -12.761 1.00 0.00 C ATOM 690 C6 DT C 122 -6.945 0.945 -10.967 1.00 0.00 C ATOM 0 H5' DT C 122 -10.387 -1.986 -10.503 1.00 0.00 H new ATOM 0 H5'' DT C 122 -11.238 -1.426 -9.077 1.00 0.00 H new ATOM 0 H4' DT C 122 -9.247 -2.462 -8.327 1.00 0.00 H new ATOM 0 H3' DT C 122 -9.650 0.382 -7.904 1.00 0.00 H new ATOM 0 H2' DT C 122 -7.543 1.176 -8.406 1.00 0.00 H new ATOM 0 H2'' DT C 122 -6.907 0.125 -7.156 1.00 0.00 H new ATOM 0 H1' DT C 122 -6.088 -1.366 -8.700 1.00 0.00 H new ATOM 0 H3 DT C 122 -3.290 0.536 -11.592 1.00 0.00 H new ATOM 0 H71 DT C 122 -6.570 3.512 -13.070 1.00 0.00 H new ATOM 0 H72 DT C 122 -7.601 2.180 -13.644 1.00 0.00 H new ATOM 0 H73 DT C 122 -8.020 3.049 -12.149 1.00 0.00 H new ATOM 0 H6 DT C 122 -8.003 1.054 -10.781 1.00 0.00 H new ATOM 703 P DT C 123 -8.819 0.037 -5.207 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.517 -0.595 -4.065 1.00 0.00 O ATOM 705 OP2 DT C 123 -9.156 1.418 -5.609 1.00 0.00 O ATOM 706 O5' DT C 123 -7.245 -0.011 -4.924 1.00 0.00 O ATOM 707 C5' DT C 123 -6.623 -1.254 -4.635 1.00 0.00 C ATOM 708 C4' DT C 123 -5.126 -1.094 -4.396 1.00 0.00 C ATOM 709 O4' DT C 123 -4.456 -0.642 -5.603 1.00 0.00 O ATOM 710 C3' DT C 123 -4.814 -0.069 -3.301 1.00 0.00 C ATOM 711 O3' DT C 123 -3.971 -0.691 -2.329 1.00 0.00 O ATOM 712 C2' DT C 123 -4.114 1.068 -3.983 1.00 0.00 C ATOM 713 C1' DT C 123 -3.628 0.509 -5.304 1.00 0.00 C ATOM 714 N1 DT C 123 -3.682 1.524 -6.403 1.00 0.00 N ATOM 715 C2 DT C 123 -2.494 1.820 -7.066 1.00 0.00 C ATOM 716 O2 DT C 123 -1.429 1.289 -6.758 1.00 0.00 O ATOM 717 N3 DT C 123 -2.575 2.740 -8.094 1.00 0.00 N ATOM 718 C4 DT C 123 -3.719 3.388 -8.518 1.00 0.00 C ATOM 719 O4 DT C 123 -3.673 4.194 -9.443 1.00 0.00 O ATOM 720 C5 DT C 123 -4.910 3.029 -7.781 1.00 0.00 C ATOM 721 C7 DT C 123 -6.242 3.677 -8.171 1.00 0.00 C ATOM 722 C6 DT C 123 -4.863 2.130 -6.766 1.00 0.00 C ATOM 0 H5' DT C 123 -6.788 -1.944 -5.462 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.087 -1.697 -3.754 1.00 0.00 H new ATOM 0 H4' DT C 123 -4.770 -2.077 -4.089 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.706 0.293 -2.789 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.790 1.909 -4.138 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.282 1.434 -3.382 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.579 0.223 -5.227 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.709 2.961 -8.586 1.00 0.00 H new ATOM 0 H71 DT C 123 -6.058 4.673 -8.575 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.737 3.065 -8.925 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.880 3.755 -7.291 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.770 1.885 -6.233 1.00 0.00 H new ATOM 735 P DA C 124 -3.416 0.074 -1.029 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.536 -0.832 0.135 1.00 0.00 O ATOM 737 OP2 DA C 124 -4.036 1.418 -0.987 1.00 0.00 O ATOM 738 O5' DA C 124 -1.845 0.253 -1.379 1.00 0.00 O ATOM 739 C5' DA C 124 -1.068 -0.928 -1.618 1.00 0.00 C ATOM 740 C4' DA C 124 0.421 -0.659 -1.910 1.00 0.00 C ATOM 741 O4' DA C 124 0.556 0.083 -3.151 1.00 0.00 O ATOM 742 C3' DA C 124 1.078 0.176 -0.804 1.00 0.00 C ATOM 743 O3' DA C 124 2.379 -0.323 -0.474 1.00 0.00 O ATOM 744 C2' DA C 124 1.198 1.562 -1.377 1.00 0.00 C ATOM 745 C1' DA C 124 1.041 1.421 -2.884 1.00 0.00 C ATOM 746 N9 DA C 124 0.128 2.444 -3.422 1.00 0.00 N ATOM 747 C8 DA C 124 -1.113 2.762 -2.996 1.00 0.00 C ATOM 748 N7 DA C 124 -1.705 3.708 -3.654 1.00 0.00 N ATOM 749 C5 DA C 124 -0.764 4.054 -4.616 1.00 0.00 C ATOM 750 C6 DA C 124 -0.769 5.002 -5.639 1.00 0.00 C ATOM 751 N6 DA C 124 -1.795 5.824 -5.858 1.00 0.00 N ATOM 752 N1 DA C 124 0.328 5.084 -6.413 1.00 0.00 N ATOM 753 C2 DA C 124 1.369 4.279 -6.189 1.00 0.00 C ATOM 754 N3 DA C 124 1.475 3.346 -5.245 1.00 0.00 N ATOM 755 C4 DA C 124 0.360 3.287 -4.487 1.00 0.00 C ATOM 0 H5' DA C 124 -1.500 -1.468 -2.461 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.144 -1.581 -0.748 1.00 0.00 H new ATOM 0 H4' DA C 124 0.912 -1.630 -1.972 1.00 0.00 H new ATOM 0 H3' DA C 124 0.489 0.146 0.113 1.00 0.00 H new ATOM 0 H2' DA C 124 0.431 2.219 -0.967 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.163 2.003 -1.127 1.00 0.00 H new ATOM 0 H1' DA C 124 1.999 1.575 -3.380 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.581 2.261 -2.162 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.752 6.501 -6.619 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.623 5.776 -5.264 1.00 0.00 H new ATOM 0 H2 DA C 124 2.218 4.397 -6.845 1.00 0.00 H new ATOM 767 P DT C 125 3.264 0.403 0.670 1.00 0.00 P ATOM 768 OP1 DT C 125 4.219 -0.587 1.219 1.00 0.00 O ATOM 769 OP2 DT C 125 2.340 1.119 1.579 1.00 0.00 O ATOM 770 O5' DT C 125 4.096 1.503 -0.172 1.00 0.00 O ATOM 771 C5' DT C 125 5.034 1.064 -1.156 1.00 0.00 C ATOM 772 C4' DT C 125 5.709 2.213 -1.921 1.00 0.00 C ATOM 773 O4' DT C 125 4.772 2.862 -2.819 1.00 0.00 O ATOM 774 C3' DT C 125 6.290 3.300 -1.002 1.00 0.00 C ATOM 775 O3' DT C 125 7.691 3.471 -1.278 1.00 0.00 O ATOM 776 C2' DT C 125 5.536 4.560 -1.345 1.00 0.00 C ATOM 777 C1' DT C 125 4.913 4.295 -2.706 1.00 0.00 C ATOM 778 N1 DT C 125 3.609 4.995 -2.917 1.00 0.00 N ATOM 779 C2 DT C 125 3.471 5.772 -4.064 1.00 0.00 C ATOM 780 O2 DT C 125 4.397 5.934 -4.856 1.00 0.00 O ATOM 781 N3 DT C 125 2.235 6.354 -4.264 1.00 0.00 N ATOM 782 C4 DT C 125 1.135 6.234 -3.438 1.00 0.00 C ATOM 783 O4 DT C 125 0.057 6.737 -3.745 1.00 0.00 O ATOM 784 C5 DT C 125 1.363 5.425 -2.271 1.00 0.00 C ATOM 785 C7 DT C 125 0.222 5.256 -1.271 1.00 0.00 C ATOM 786 C6 DT C 125 2.563 4.838 -2.047 1.00 0.00 C ATOM 0 H5' DT C 125 4.524 0.416 -1.868 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.802 0.462 -0.670 1.00 0.00 H new ATOM 0 H4' DT C 125 6.525 1.744 -2.471 1.00 0.00 H new ATOM 0 H3' DT C 125 6.190 3.043 0.053 1.00 0.00 H new ATOM 0 H2' DT C 125 4.772 4.777 -0.598 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.203 5.421 -1.379 1.00 0.00 H new ATOM 0 H1' DT C 125 5.559 4.698 -3.486 1.00 0.00 H new ATOM 0 H3 DT C 125 2.124 6.927 -5.101 1.00 0.00 H new ATOM 0 H71 DT C 125 0.307 4.285 -0.783 1.00 0.00 H new ATOM 0 H72 DT C 125 0.275 6.045 -0.521 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.732 5.317 -1.794 1.00 0.00 H new ATOM 0 H6 DT C 125 2.698 4.233 -1.163 1.00 0.00 H new ATOM 799 P DC C 126 8.592 4.544 -0.477 1.00 0.00 P ATOM 800 OP1 DC C 126 9.948 3.973 -0.319 1.00 0.00 O ATOM 801 OP2 DC C 126 7.837 4.972 0.722 1.00 0.00 O ATOM 802 O5' DC C 126 8.695 5.809 -1.478 1.00 0.00 O ATOM 803 C5' DC C 126 9.443 5.669 -2.690 1.00 0.00 C ATOM 804 C4' DC C 126 9.468 6.939 -3.560 1.00 0.00 C ATOM 805 O4' DC C 126 8.172 7.198 -4.163 1.00 0.00 O ATOM 806 C3' DC C 126 9.874 8.170 -2.741 1.00 0.00 C ATOM 807 O3' DC C 126 11.158 8.653 -3.142 1.00 0.00 O ATOM 808 C2' DC C 126 8.813 9.214 -3.027 1.00 0.00 C ATOM 809 C1' DC C 126 7.746 8.557 -3.899 1.00 0.00 C ATOM 810 N1 DC C 126 6.439 8.556 -3.195 1.00 0.00 N ATOM 811 C2 DC C 126 5.342 9.188 -3.787 1.00 0.00 C ATOM 812 O2 DC C 126 5.471 9.806 -4.845 1.00 0.00 O ATOM 813 N3 DC C 126 4.148 9.131 -3.142 1.00 0.00 N ATOM 814 C4 DC C 126 4.025 8.490 -1.975 1.00 0.00 C ATOM 815 N4 DC C 126 2.838 8.436 -1.382 1.00 0.00 N ATOM 816 C5 DC C 126 5.144 7.848 -1.365 1.00 0.00 C ATOM 817 C6 DC C 126 6.322 7.908 -2.007 1.00 0.00 C ATOM 0 H5' DC C 126 9.021 4.850 -3.273 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.467 5.390 -2.443 1.00 0.00 H new ATOM 0 H4' DC C 126 10.205 6.760 -4.343 1.00 0.00 H new ATOM 0 H3' DC C 126 9.944 7.933 -1.679 1.00 0.00 H new ATOM 0 H2' DC C 126 8.376 9.581 -2.098 1.00 0.00 H new ATOM 0 H2'' DC C 126 9.248 10.074 -3.536 1.00 0.00 H new ATOM 0 H1' DC C 126 7.624 9.107 -4.832 1.00 0.00 H new ATOM 0 H41 DC C 126 2.734 7.949 -0.492 1.00 0.00 H new ATOM 0 H42 DC C 126 2.030 8.881 -1.817 1.00 0.00 H new ATOM 0 H5 DC C 126 5.047 7.332 -0.421 1.00 0.00 H new ATOM 0 H6 DC C 126 7.189 7.434 -1.572 1.00 0.00 H new ATOM 829 P DT C 127 11.917 9.773 -2.264 1.00 0.00 P ATOM 830 OP1 DT C 127 13.330 9.825 -2.701 1.00 0.00 O ATOM 831 OP2 DT C 127 11.597 9.534 -0.839 1.00 0.00 O ATOM 832 O5' DT C 127 11.203 11.138 -2.720 1.00 0.00 O ATOM 833 C5' DT C 127 11.422 11.656 -4.029 1.00 0.00 C ATOM 834 C4' DT C 127 10.654 12.957 -4.260 1.00 0.00 C ATOM 835 O4' DT C 127 9.231 12.703 -4.214 1.00 0.00 O ATOM 836 C3' DT C 127 10.982 14.022 -3.204 1.00 0.00 C ATOM 837 O3' DT C 127 11.560 15.163 -3.834 1.00 0.00 O ATOM 838 C2' DT C 127 9.655 14.399 -2.579 1.00 0.00 C ATOM 839 C1' DT C 127 8.571 13.670 -3.371 1.00 0.00 C ATOM 840 N1 DT C 127 7.590 13.007 -2.459 1.00 0.00 N ATOM 841 C2 DT C 127 6.254 13.381 -2.552 1.00 0.00 C ATOM 842 O2 DT C 127 5.863 14.202 -3.379 1.00 0.00 O ATOM 843 N3 DT C 127 5.385 12.765 -1.673 1.00 0.00 N ATOM 844 C4 DT C 127 5.719 11.818 -0.721 1.00 0.00 C ATOM 845 O4 DT C 127 4.860 11.343 0.017 1.00 0.00 O ATOM 846 C5 DT C 127 7.123 11.481 -0.694 1.00 0.00 C ATOM 847 C7 DT C 127 7.611 10.430 0.309 1.00 0.00 C ATOM 848 C6 DT C 127 7.999 12.072 -1.543 1.00 0.00 C ATOM 0 H5' DT C 127 11.115 10.916 -4.769 1.00 0.00 H new ATOM 0 H5'' DT C 127 12.488 11.832 -4.177 1.00 0.00 H new ATOM 0 H4' DT C 127 10.955 13.331 -5.238 1.00 0.00 H new ATOM 0 H3' DT C 127 11.690 13.654 -2.462 1.00 0.00 H new ATOM 0 H2' DT C 127 9.627 14.110 -1.528 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.502 15.478 -2.617 1.00 0.00 H new ATOM 0 H1' DT C 127 8.004 14.377 -3.976 1.00 0.00 H new ATOM 0 H3 DT C 127 4.403 13.034 -1.731 1.00 0.00 H new ATOM 0 H71 DT C 127 8.476 9.910 -0.101 1.00 0.00 H new ATOM 0 H72 DT C 127 7.891 10.920 1.242 1.00 0.00 H new ATOM 0 H73 DT C 127 6.813 9.712 0.501 1.00 0.00 H new ATOM 0 H6 DT C 127 9.043 11.800 -1.497 1.00 0.00 H new ATOM 861 P DG C 128 12.105 16.413 -2.980 1.00 0.00 P ATOM 862 OP1 DG C 128 13.127 17.117 -3.788 1.00 0.00 O ATOM 863 OP2 DG C 128 12.442 15.936 -1.620 1.00 0.00 O ATOM 864 O5' DG C 128 10.807 17.359 -2.876 1.00 0.00 O ATOM 865 C5' DG C 128 10.192 17.861 -4.062 1.00 0.00 C ATOM 866 C4' DG C 128 8.978 18.736 -3.749 1.00 0.00 C ATOM 867 O4' DG C 128 7.912 17.931 -3.201 1.00 0.00 O ATOM 868 C3' DG C 128 9.320 19.836 -2.736 1.00 0.00 C ATOM 869 O3' DG C 128 9.090 21.116 -3.317 1.00 0.00 O ATOM 870 C2' DG C 128 8.383 19.624 -1.566 1.00 0.00 C ATOM 871 C1' DG C 128 7.498 18.431 -1.913 1.00 0.00 C ATOM 872 N9 DG C 128 7.617 17.382 -0.892 1.00 0.00 N ATOM 873 C8 DG C 128 8.732 16.743 -0.469 1.00 0.00 C ATOM 874 N7 DG C 128 8.542 15.834 0.441 1.00 0.00 N ATOM 875 C5 DG C 128 7.164 15.877 0.645 1.00 0.00 C ATOM 876 C6 DG C 128 6.346 15.116 1.523 1.00 0.00 C ATOM 877 O6 DG C 128 6.685 14.228 2.305 1.00 0.00 O ATOM 878 N1 DG C 128 5.009 15.478 1.414 1.00 0.00 N ATOM 879 C2 DG C 128 4.519 16.452 0.569 1.00 0.00 C ATOM 880 N2 DG C 128 3.204 16.663 0.610 1.00 0.00 N ATOM 881 N3 DG C 128 5.285 17.167 -0.258 1.00 0.00 N ATOM 882 C4 DG C 128 6.590 16.828 -0.167 1.00 0.00 C ATOM 0 H5' DG C 128 9.885 17.027 -4.693 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.920 18.440 -4.631 1.00 0.00 H new ATOM 0 H4' DG C 128 8.666 19.199 -4.685 1.00 0.00 H new ATOM 0 H3' DG C 128 10.365 19.793 -2.428 1.00 0.00 H new ATOM 0 H2' DG C 128 8.945 19.434 -0.652 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.779 20.514 -1.390 1.00 0.00 H new ATOM 0 H1' DG C 128 6.453 18.738 -1.946 1.00 0.00 H new ATOM 0 H8 DG C 128 9.712 16.972 -0.860 1.00 0.00 H new ATOM 0 H1 DG C 128 4.338 14.986 2.004 1.00 0.00 H new ATOM 0 H21 DG C 128 2.782 17.370 0.009 1.00 0.00 H new ATOM 0 H22 DG C 128 2.619 16.117 1.243 1.00 0.00 H new ATOM 894 P DC C 129 9.579 22.467 -2.591 1.00 0.00 P ATOM 895 OP1 DC C 129 9.754 23.508 -3.628 1.00 0.00 O ATOM 896 OP2 DC C 129 10.712 22.120 -1.703 1.00 0.00 O ATOM 897 O5' DC C 129 8.329 22.888 -1.665 1.00 0.00 O ATOM 898 C5' DC C 129 7.059 23.161 -2.257 1.00 0.00 C ATOM 899 C4' DC C 129 6.005 23.557 -1.217 1.00 0.00 C ATOM 900 O4' DC C 129 5.642 22.424 -0.386 1.00 0.00 O ATOM 901 C3' DC C 129 6.516 24.666 -0.289 1.00 0.00 C ATOM 902 O3' DC C 129 5.547 25.715 -0.246 1.00 0.00 O ATOM 903 C2' DC C 129 6.658 24.033 1.067 1.00 0.00 C ATOM 904 C1' DC C 129 5.881 22.727 1.011 1.00 0.00 C ATOM 905 N1 DC C 129 6.611 21.611 1.682 1.00 0.00 N ATOM 906 C2 DC C 129 5.967 20.940 2.721 1.00 0.00 C ATOM 907 O2 DC C 129 4.835 21.280 3.062 1.00 0.00 O ATOM 908 N3 DC C 129 6.617 19.914 3.333 1.00 0.00 N ATOM 909 C4 DC C 129 7.847 19.552 2.950 1.00 0.00 C ATOM 910 N4 DC C 129 8.462 18.550 3.582 1.00 0.00 N ATOM 911 C5 DC C 129 8.515 20.231 1.882 1.00 0.00 C ATOM 912 C6 DC C 129 7.867 21.247 1.279 1.00 0.00 C ATOM 0 H5' DC C 129 6.717 22.280 -2.800 1.00 0.00 H new ATOM 0 H5'' DC C 129 7.166 23.964 -2.987 1.00 0.00 H new ATOM 0 H4' DC C 129 5.140 23.912 -1.777 1.00 0.00 H new ATOM 0 H3' DC C 129 7.462 25.089 -0.627 1.00 0.00 H new ATOM 0 H2' DC C 129 7.706 23.852 1.304 1.00 0.00 H new ATOM 0 H2'' DC C 129 6.264 24.687 1.845 1.00 0.00 H new ATOM 0 H1' DC C 129 4.940 22.837 1.549 1.00 0.00 H new ATOM 0 H41 DC C 129 9.400 18.267 3.297 1.00 0.00 H new ATOM 0 H42 DC C 129 7.994 18.068 4.349 1.00 0.00 H new ATOM 0 H5 DC C 129 9.507 19.939 1.569 1.00 0.00 H new ATOM 0 H6 DC C 129 8.344 21.779 0.469 1.00 0.00 H new ATOM 924 P DA C 130 5.752 27.047 0.633 1.00 0.00 P ATOM 925 OP1 DA C 130 5.138 28.179 -0.094 1.00 0.00 O ATOM 926 OP2 DA C 130 7.176 27.118 1.034 1.00 0.00 O ATOM 927 O5' DA C 130 4.874 26.757 1.955 1.00 0.00 O ATOM 928 C5' DA C 130 3.466 26.517 1.847 1.00 0.00 C ATOM 929 C4' DA C 130 2.808 26.308 3.215 1.00 0.00 C ATOM 930 O4' DA C 130 3.222 25.046 3.799 1.00 0.00 O ATOM 931 C3' DA C 130 3.199 27.426 4.184 1.00 0.00 C ATOM 932 O3' DA C 130 2.029 28.014 4.750 1.00 0.00 O ATOM 933 C2' DA C 130 4.014 26.764 5.265 1.00 0.00 C ATOM 934 C1' DA C 130 3.844 25.266 5.086 1.00 0.00 C ATOM 935 N9 DA C 130 5.131 24.558 5.177 1.00 0.00 N ATOM 936 C8 DA C 130 6.267 24.793 4.486 1.00 0.00 C ATOM 937 N7 DA C 130 7.246 23.973 4.724 1.00 0.00 N ATOM 938 C5 DA C 130 6.703 23.109 5.672 1.00 0.00 C ATOM 939 C6 DA C 130 7.222 22.001 6.352 1.00 0.00 C ATOM 940 N6 DA C 130 8.458 21.544 6.152 1.00 0.00 N ATOM 941 N1 DA C 130 6.414 21.377 7.229 1.00 0.00 N ATOM 942 C2 DA C 130 5.168 21.816 7.424 1.00 0.00 C ATOM 943 N3 DA C 130 4.579 22.853 6.829 1.00 0.00 N ATOM 944 C4 DA C 130 5.414 23.458 5.958 1.00 0.00 C ATOM 0 H5' DA C 130 3.296 25.638 1.226 1.00 0.00 H new ATOM 0 H5'' DA C 130 2.993 27.360 1.343 1.00 0.00 H new ATOM 0 H4' DA C 130 1.730 26.311 3.056 1.00 0.00 H new ATOM 0 H3' DA C 130 3.757 28.217 3.682 1.00 0.00 H new ATOM 0 H2' DA C 130 5.064 27.046 5.186 1.00 0.00 H new ATOM 0 H2'' DA C 130 3.674 27.077 6.252 1.00 0.00 H new ATOM 0 H1' DA C 130 3.218 24.868 5.885 1.00 0.00 H new ATOM 0 H8 DA C 130 6.356 25.608 3.783 1.00 0.00 H new ATOM 0 H61 DA C 130 8.792 20.732 6.672 1.00 0.00 H new ATOM 0 H62 DA C 130 9.070 22.006 5.479 1.00 0.00 H new ATOM 0 H2 DA C 130 4.573 21.271 8.142 1.00 0.00 H new ATOM 956 P DA C 131 2.148 29.222 5.803 1.00 0.00 P ATOM 957 OP1 DA C 131 0.898 30.012 5.736 1.00 0.00 O ATOM 958 OP2 DA C 131 3.452 29.891 5.587 1.00 0.00 O ATOM 959 O5' DA C 131 2.197 28.492 7.238 1.00 0.00 O ATOM 960 C5' DA C 131 1.094 27.703 7.688 1.00 0.00 C ATOM 961 C4' DA C 131 1.357 27.104 9.076 1.00 0.00 C ATOM 962 O4' DA C 131 2.367 26.069 9.035 1.00 0.00 O ATOM 963 C3' DA C 131 1.832 28.189 10.051 1.00 0.00 C ATOM 964 O3' DA C 131 0.941 28.334 11.150 1.00 0.00 O ATOM 965 C2' DA C 131 3.163 27.714 10.574 1.00 0.00 C ATOM 966 C1' DA C 131 3.358 26.298 10.065 1.00 0.00 C ATOM 967 N9 DA C 131 4.712 26.103 9.540 1.00 0.00 N ATOM 968 C8 DA C 131 5.323 26.768 8.536 1.00 0.00 C ATOM 969 N7 DA C 131 6.530 26.376 8.262 1.00 0.00 N ATOM 970 C5 DA C 131 6.741 25.350 9.182 1.00 0.00 C ATOM 971 C6 DA C 131 7.828 24.507 9.431 1.00 0.00 C ATOM 972 N6 DA C 131 8.964 24.569 8.739 1.00 0.00 N ATOM 973 N1 DA C 131 7.700 23.603 10.418 1.00 0.00 N ATOM 974 C2 DA C 131 6.566 23.531 11.119 1.00 0.00 C ATOM 975 N3 DA C 131 5.478 24.282 10.963 1.00 0.00 N ATOM 976 C4 DA C 131 5.638 25.178 9.968 1.00 0.00 C ATOM 0 H5' DA C 131 0.905 26.901 6.975 1.00 0.00 H new ATOM 0 H5'' DA C 131 0.195 28.319 7.721 1.00 0.00 H new ATOM 0 H4' DA C 131 0.414 26.673 9.411 1.00 0.00 H new ATOM 0 H3' DA C 131 1.887 29.152 9.544 1.00 0.00 H new ATOM 0 H2' DA C 131 3.968 28.363 10.228 1.00 0.00 H new ATOM 0 H2'' DA C 131 3.180 27.738 11.664 1.00 0.00 H new ATOM 0 H1' DA C 131 3.235 25.585 10.880 1.00 0.00 H new ATOM 0 H8 DA C 131 4.841 27.571 7.998 1.00 0.00 H new ATOM 0 H61 DA C 131 9.730 23.932 8.958 1.00 0.00 H new ATOM 0 H62 DA C 131 9.068 25.254 7.990 1.00 0.00 H new ATOM 0 H2 DA C 131 6.527 22.783 11.897 1.00 0.00 H new ATOM 988 P DC C 132 1.187 29.527 12.198 1.00 0.00 P ATOM 989 OP1 DC C 132 -0.102 29.837 12.857 1.00 0.00 O ATOM 990 OP2 DC C 132 1.938 30.597 11.505 1.00 0.00 O ATOM 991 O5' DC C 132 2.164 28.853 13.289 1.00 0.00 O ATOM 992 C5' DC C 132 1.785 27.651 13.960 1.00 0.00 C ATOM 993 C4' DC C 132 2.934 27.062 14.791 1.00 0.00 C ATOM 994 O4' DC C 132 3.968 26.511 13.938 1.00 0.00 O ATOM 995 C3' DC C 132 3.587 28.111 15.701 1.00 0.00 C ATOM 996 O3' DC C 132 3.270 27.863 17.073 1.00 0.00 O ATOM 997 C2' DC C 132 5.081 27.961 15.475 1.00 0.00 C ATOM 998 C1' DC C 132 5.271 26.834 14.476 1.00 0.00 C ATOM 999 N1 DC C 132 6.224 27.227 13.398 1.00 0.00 N ATOM 1000 C2 DC C 132 7.460 26.584 13.329 1.00 0.00 C ATOM 1001 O2 DC C 132 7.749 25.716 14.151 1.00 0.00 O ATOM 1002 N3 DC C 132 8.326 26.945 12.341 1.00 0.00 N ATOM 1003 C4 DC C 132 8.002 27.895 11.455 1.00 0.00 C ATOM 1004 N4 DC C 132 8.874 28.223 10.493 1.00 0.00 N ATOM 1005 C5 DC C 132 6.735 28.559 11.524 1.00 0.00 C ATOM 1006 C6 DC C 132 5.886 28.192 12.507 1.00 0.00 C ATOM 0 H5' DC C 132 1.456 26.916 13.226 1.00 0.00 H new ATOM 0 H5'' DC C 132 0.935 27.853 14.611 1.00 0.00 H new ATOM 0 H4' DC C 132 2.488 26.278 15.403 1.00 0.00 H new ATOM 0 H3' DC C 132 3.233 29.116 15.472 1.00 0.00 H new ATOM 0 H2' DC C 132 5.508 28.889 15.094 1.00 0.00 H new ATOM 0 H2'' DC C 132 5.591 27.736 16.411 1.00 0.00 H new ATOM 0 HO3' DC C 132 3.698 28.542 17.635 1.00 0.00 H new ATOM 0 H1' DC C 132 5.703 25.960 14.964 1.00 0.00 H new ATOM 0 H41 DC C 132 8.636 28.946 9.814 1.00 0.00 H new ATOM 0 H42 DC C 132 9.776 27.750 10.440 1.00 0.00 H new ATOM 0 H5 DC C 132 6.468 29.327 10.814 1.00 0.00 H new ATOM 0 H6 DC C 132 4.923 28.674 12.585 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -4.278 10.153 17.440 1.00 0.00 N ATOM 1021 CA LYS A 1 -4.947 11.391 16.950 1.00 0.00 C ATOM 1022 C LYS A 1 -5.648 11.081 15.619 1.00 0.00 C ATOM 1023 O LYS A 1 -6.671 10.426 15.586 1.00 0.00 O ATOM 1024 CB LYS A 1 -3.895 12.492 16.747 1.00 0.00 C ATOM 1025 CG LYS A 1 -3.101 12.722 18.043 1.00 0.00 C ATOM 1026 CD LYS A 1 -3.987 13.385 19.106 1.00 0.00 C ATOM 1027 CE LYS A 1 -3.105 13.963 20.218 1.00 0.00 C ATOM 1028 NZ LYS A 1 -2.308 12.872 20.844 1.00 0.00 N ATOM 0 H1 LYS A 1 -4.159 10.208 18.472 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.862 9.326 17.203 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.346 10.060 16.988 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.683 11.734 17.677 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -3.216 12.211 15.942 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -4.383 13.418 16.443 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -2.723 11.771 18.418 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -2.235 13.352 17.839 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.586 14.176 18.654 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.683 12.656 19.521 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.440 14.724 19.810 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.725 14.452 20.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.911 13.206 21.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.921 12.050 21.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -1.535 12.597 20.206 1.00 0.00 H new ATOM 1044 N ARG A 2 -5.112 11.550 14.525 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.754 11.290 13.203 1.00 0.00 C ATOM 1046 C ARG A 2 -5.897 9.782 12.974 1.00 0.00 C ATOM 1047 O ARG A 2 -6.747 9.343 12.224 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.888 11.890 12.081 1.00 0.00 C ATOM 1049 CG ARG A 2 -5.649 11.878 10.729 1.00 0.00 C ATOM 1050 CD ARG A 2 -6.266 13.256 10.432 1.00 0.00 C ATOM 1051 NE ARG A 2 -7.068 13.727 11.599 1.00 0.00 N ATOM 1052 CZ ARG A 2 -7.449 14.973 11.671 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -7.121 15.814 10.729 1.00 0.00 N ATOM 1054 NH2 ARG A 2 -8.163 15.379 12.685 1.00 0.00 N ATOM 0 H ARG A 2 -4.256 12.103 14.489 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.741 11.751 13.195 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.610 12.912 12.338 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.962 11.322 11.987 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.966 11.600 9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.434 11.122 10.756 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.477 13.975 10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.900 13.195 9.547 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.319 13.074 12.341 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.566 15.498 9.934 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.420 16.787 10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.423 14.722 13.421 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.461 16.353 12.742 1.00 0.00 H new ATOM 1068 N ALA A 3 -5.065 8.975 13.584 1.00 0.00 N ATOM 1069 CA ALA A 3 -5.179 7.508 13.338 1.00 0.00 C ATOM 1070 C ALA A 3 -6.456 6.965 13.997 1.00 0.00 C ATOM 1071 O ALA A 3 -6.645 7.056 15.193 1.00 0.00 O ATOM 1072 CB ALA A 3 -3.946 6.785 13.887 1.00 0.00 C ATOM 0 H ALA A 3 -4.328 9.261 14.228 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.236 7.330 12.264 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.039 5.715 13.702 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.052 7.162 13.391 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.868 6.963 14.960 1.00 0.00 H new ATOM 1078 N GLY A 4 -7.347 6.435 13.202 1.00 0.00 N ATOM 1079 CA GLY A 4 -8.650 5.911 13.729 1.00 0.00 C ATOM 1080 C GLY A 4 -9.760 6.439 12.823 1.00 0.00 C ATOM 1081 O GLY A 4 -10.822 5.863 12.711 1.00 0.00 O ATOM 0 H GLY A 4 -7.229 6.340 12.193 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.649 4.821 13.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.807 6.238 14.757 1.00 0.00 H new ATOM 1085 N THR A 5 -9.486 7.516 12.140 1.00 0.00 N ATOM 1086 CA THR A 5 -10.471 8.094 11.182 1.00 0.00 C ATOM 1087 C THR A 5 -10.998 6.962 10.305 1.00 0.00 C ATOM 1088 O THR A 5 -10.407 6.637 9.306 1.00 0.00 O ATOM 1089 CB THR A 5 -9.712 9.098 10.323 1.00 0.00 C ATOM 1090 OG1 THR A 5 -9.420 10.253 11.098 1.00 0.00 O ATOM 1091 CG2 THR A 5 -10.535 9.500 9.101 1.00 0.00 C ATOM 0 H THR A 5 -8.607 8.028 12.206 1.00 0.00 H new ATOM 0 HA THR A 5 -11.305 8.577 11.691 1.00 0.00 H new ATOM 0 HB THR A 5 -8.787 8.634 9.980 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.553 10.140 11.540 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.972 10.217 8.503 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.750 8.616 8.500 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.471 9.954 9.426 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.068 6.311 10.674 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.534 5.172 9.841 1.00 0.00 C ATOM 1101 C VAL A 6 -12.937 5.644 8.446 1.00 0.00 C ATOM 1102 O VAL A 6 -13.544 6.681 8.271 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.724 4.489 10.516 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.244 3.752 11.766 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.760 5.543 10.914 1.00 0.00 C ATOM 0 H VAL A 6 -12.629 6.515 11.501 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.712 4.463 9.741 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.176 3.779 9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.091 3.264 12.249 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.505 3.001 11.485 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.793 4.464 12.457 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.608 5.056 11.395 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.309 6.253 11.607 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.102 6.071 10.024 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.601 4.868 7.460 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.948 5.213 6.058 1.00 0.00 C ATOM 1117 C CYS A 7 -14.458 5.321 5.899 1.00 0.00 C ATOM 1118 O CYS A 7 -15.197 4.398 6.180 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.412 4.116 5.150 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.843 4.483 3.433 1.00 0.00 S ATOM 0 H CYS A 7 -12.090 3.992 7.568 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.506 6.174 5.794 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.330 4.040 5.255 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.829 3.152 5.442 1.00 0.00 H new ATOM 1125 N SER A 8 -14.917 6.448 5.451 1.00 0.00 N ATOM 1126 CA SER A 8 -16.372 6.642 5.265 1.00 0.00 C ATOM 1127 C SER A 8 -16.922 5.621 4.267 1.00 0.00 C ATOM 1128 O SER A 8 -18.013 5.113 4.434 1.00 0.00 O ATOM 1129 CB SER A 8 -16.627 8.055 4.743 1.00 0.00 C ATOM 1130 OG SER A 8 -16.248 8.992 5.740 1.00 0.00 O ATOM 0 H SER A 8 -14.339 7.251 5.203 1.00 0.00 H new ATOM 0 HA SER A 8 -16.876 6.503 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.058 8.227 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.680 8.179 4.491 1.00 0.00 H new ATOM 0 HG SER A 8 -15.272 9.003 5.824 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.202 5.334 3.205 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.744 4.369 2.204 1.00 0.00 C ATOM 1138 C ASN A 9 -16.553 2.911 2.638 1.00 0.00 C ATOM 1139 O ASN A 9 -17.424 2.102 2.389 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.050 4.590 0.859 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.519 5.919 0.265 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.560 6.425 0.635 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.795 6.508 -0.644 1.00 0.00 N ATOM 0 H ASN A 9 -15.281 5.720 2.994 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.815 4.551 2.119 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.968 4.598 0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.281 3.771 0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.102 7.394 -1.045 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.921 6.083 -0.954 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.435 2.531 3.251 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.267 1.079 3.633 1.00 0.00 C ATOM 1152 C CYS A 10 -14.834 0.899 5.094 1.00 0.00 C ATOM 1153 O CYS A 10 -14.413 -0.170 5.483 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.276 0.378 2.685 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.563 0.781 3.119 1.00 0.00 S ATOM 0 H CYS A 10 -14.658 3.145 3.495 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.247 0.612 3.532 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.423 -0.701 2.734 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.475 0.681 1.657 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.980 1.901 5.917 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.644 1.763 7.371 1.00 0.00 C ATOM 1162 C GLN A 11 -13.194 1.326 7.637 1.00 0.00 C ATOM 1163 O GLN A 11 -12.797 1.223 8.782 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.597 0.742 8.005 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.030 1.278 7.949 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.984 0.258 8.573 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.095 -0.856 8.100 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -18.685 0.593 9.621 1.00 0.00 N ATOM 0 H GLN A 11 -15.322 2.823 5.644 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.756 2.753 7.814 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.532 -0.209 7.476 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.308 0.552 9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.095 2.226 8.483 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.316 1.474 6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -18.593 1.528 10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.325 -0.080 10.043 1.00 0.00 H new ATOM 1177 N THR A 12 -12.385 1.066 6.646 1.00 0.00 N ATOM 1178 CA THR A 12 -10.986 0.651 6.978 1.00 0.00 C ATOM 1179 C THR A 12 -10.319 1.784 7.775 1.00 0.00 C ATOM 1180 O THR A 12 -10.490 2.944 7.458 1.00 0.00 O ATOM 1181 CB THR A 12 -10.190 0.337 5.690 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.978 -0.318 6.042 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.860 1.609 4.903 1.00 0.00 C ATOM 0 H THR A 12 -12.617 1.119 5.654 1.00 0.00 H new ATOM 0 HA THR A 12 -11.001 -0.258 7.579 1.00 0.00 H new ATOM 0 HB THR A 12 -10.807 -0.302 5.058 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.222 0.283 5.877 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.300 1.346 4.005 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.785 2.112 4.620 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.260 2.275 5.523 1.00 0.00 H new ATOM 1191 N SER A 13 -9.540 1.460 8.790 1.00 0.00 N ATOM 1192 CA SER A 13 -8.843 2.540 9.586 1.00 0.00 C ATOM 1193 C SER A 13 -7.379 2.567 9.156 1.00 0.00 C ATOM 1194 O SER A 13 -6.626 3.459 9.493 1.00 0.00 O ATOM 1195 CB SER A 13 -8.949 2.260 11.086 1.00 0.00 C ATOM 1196 OG SER A 13 -8.264 3.280 11.804 1.00 0.00 O ATOM 0 H SER A 13 -9.357 0.506 9.101 1.00 0.00 H new ATOM 0 HA SER A 13 -9.314 3.505 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.996 2.227 11.388 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.519 1.285 11.317 1.00 0.00 H new ATOM 0 HG SER A 13 -7.551 3.652 11.244 1.00 0.00 H new ATOM 1202 N THR A 14 -6.985 1.584 8.394 1.00 0.00 N ATOM 1203 CA THR A 14 -5.582 1.510 7.896 1.00 0.00 C ATOM 1204 C THR A 14 -5.555 2.036 6.465 1.00 0.00 C ATOM 1205 O THR A 14 -6.205 1.502 5.588 1.00 0.00 O ATOM 1206 CB THR A 14 -5.130 0.051 7.907 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.918 -0.693 6.989 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.303 -0.521 9.312 1.00 0.00 C ATOM 0 H THR A 14 -7.585 0.817 8.091 1.00 0.00 H new ATOM 0 HA THR A 14 -4.919 2.102 8.527 1.00 0.00 H new ATOM 0 HB THR A 14 -4.081 -0.011 7.617 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.944 -1.632 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.981 -1.562 9.323 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.699 0.053 10.015 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.352 -0.462 9.602 1.00 0.00 H new ATOM 1216 N THR A 15 -4.804 3.075 6.215 1.00 0.00 N ATOM 1217 CA THR A 15 -4.742 3.632 4.828 1.00 0.00 C ATOM 1218 C THR A 15 -3.350 4.198 4.568 1.00 0.00 C ATOM 1219 O THR A 15 -2.683 4.667 5.470 1.00 0.00 O ATOM 1220 CB THR A 15 -5.746 4.779 4.682 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.172 5.974 5.191 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.003 4.475 5.475 1.00 0.00 C ATOM 0 H THR A 15 -4.233 3.562 6.906 1.00 0.00 H new ATOM 0 HA THR A 15 -4.972 2.834 4.122 1.00 0.00 H new ATOM 0 HB THR A 15 -5.996 4.896 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.813 6.417 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.711 5.297 5.365 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.454 3.555 5.103 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.749 4.354 6.528 1.00 0.00 H new ATOM 1230 N THR A 16 -2.917 4.194 3.342 1.00 0.00 N ATOM 1231 CA THR A 16 -1.584 4.770 3.046 1.00 0.00 C ATOM 1232 C THR A 16 -1.706 6.292 3.092 1.00 0.00 C ATOM 1233 O THR A 16 -0.818 6.981 3.558 1.00 0.00 O ATOM 1234 CB THR A 16 -1.106 4.343 1.656 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.907 4.979 0.668 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.194 2.819 1.486 1.00 0.00 C ATOM 0 H THR A 16 -3.424 3.820 2.540 1.00 0.00 H new ATOM 0 HA THR A 16 -0.862 4.414 3.781 1.00 0.00 H new ATOM 0 HB THR A 16 -0.064 4.640 1.541 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.094 4.348 -0.058 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.848 2.543 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.568 2.333 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.228 2.498 1.613 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.809 6.832 2.621 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.984 8.321 2.657 1.00 0.00 C ATOM 1246 C LEU A 17 -4.473 8.643 2.844 1.00 0.00 C ATOM 1247 O LEU A 17 -5.327 8.098 2.172 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.453 8.959 1.353 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.854 10.347 1.641 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.604 10.215 2.557 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.488 11.032 0.301 1.00 0.00 C ATOM 0 H LEU A 17 -3.588 6.311 2.217 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.415 8.734 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.696 8.314 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.262 9.048 0.628 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.588 10.961 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.190 11.204 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.891 9.749 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.147 9.599 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.063 12.016 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.758 10.422 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.385 11.140 -0.309 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.792 9.527 3.750 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.216 9.892 3.984 1.00 0.00 C ATOM 1265 C TRP A 18 -6.672 10.923 2.940 1.00 0.00 C ATOM 1266 O TRP A 18 -6.010 11.915 2.703 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.344 10.503 5.398 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.420 9.400 6.414 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.531 9.181 7.413 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.429 8.357 6.532 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.933 8.062 8.127 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.096 7.522 7.620 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.590 8.056 5.800 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.885 6.428 7.970 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.386 6.955 6.149 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.033 6.141 7.229 1.00 0.00 C ATOM 0 H TRP A 18 -4.120 10.015 4.342 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.841 9.003 3.899 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.489 11.146 5.607 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.235 11.128 5.457 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.655 9.778 7.619 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.429 7.684 8.930 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.872 8.677 4.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.610 5.806 8.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.277 6.735 5.580 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.647 5.292 7.490 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.809 10.695 2.324 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.339 11.655 1.300 1.00 0.00 C ATOM 1289 C ARG A 19 -9.674 12.227 1.802 1.00 0.00 C ATOM 1290 O ARG A 19 -10.595 11.488 2.071 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.614 10.907 -0.017 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.473 9.946 -0.345 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.176 10.721 -0.556 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.226 9.858 -1.330 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.093 10.333 -1.783 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.711 11.540 -1.487 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.328 9.585 -2.525 1.00 0.00 N ATOM 0 H ARG A 19 -8.398 9.878 2.488 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.609 12.448 1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.550 10.354 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.736 11.624 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.348 9.228 0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.715 9.376 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.372 11.647 -1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.740 10.998 0.404 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.466 8.883 -1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.296 12.129 -0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.826 11.897 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.612 8.632 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.445 9.952 -2.879 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.817 13.513 1.920 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.131 14.056 2.388 1.00 0.00 C ATOM 1313 C ARG A 20 -12.021 14.275 1.149 1.00 0.00 C ATOM 1314 O ARG A 20 -12.012 15.340 0.567 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.888 15.409 3.106 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.927 15.223 4.635 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.033 14.040 5.065 1.00 0.00 C ATOM 1318 NE ARG A 20 -9.312 14.384 6.339 1.00 0.00 N ATOM 1319 CZ ARG A 20 -8.497 15.401 6.408 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -8.225 16.095 5.336 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -7.933 15.711 7.545 1.00 0.00 N ATOM 0 H ARG A 20 -9.098 14.208 1.718 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.615 13.366 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.922 15.817 2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.647 16.130 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.591 16.136 5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.953 15.046 4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.641 13.147 5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.313 13.812 4.279 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.463 13.809 7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.650 15.842 4.444 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.588 16.890 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.130 15.158 8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.296 16.506 7.598 1.00 0.00 H new ATOM 1335 N SER A 21 -12.740 13.257 0.717 1.00 0.00 N ATOM 1336 CA SER A 21 -13.603 13.354 -0.513 1.00 0.00 C ATOM 1337 C SER A 21 -14.171 14.778 -0.718 1.00 0.00 C ATOM 1338 O SER A 21 -14.259 15.555 0.204 1.00 0.00 O ATOM 1339 CB SER A 21 -14.757 12.342 -0.374 1.00 0.00 C ATOM 1340 OG SER A 21 -15.992 12.963 -0.715 1.00 0.00 O ATOM 0 H SER A 21 -12.765 12.346 1.175 1.00 0.00 H new ATOM 0 HA SER A 21 -12.991 13.129 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.580 11.485 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.800 11.965 0.648 1.00 0.00 H new ATOM 0 HG SER A 21 -16.720 12.313 -0.626 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.550 15.115 -1.940 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.096 16.472 -2.248 1.00 0.00 C ATOM 1348 C PRO A 22 -16.206 16.925 -1.280 1.00 0.00 C ATOM 1349 O PRO A 22 -16.630 18.064 -1.304 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.646 16.288 -3.685 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.333 14.851 -4.154 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.461 14.173 -3.093 1.00 0.00 C ATOM 0 HA PRO A 22 -14.341 17.251 -2.149 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.721 16.466 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.191 17.013 -4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.256 14.291 -4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.816 14.870 -5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.835 13.182 -2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.433 14.047 -3.434 1.00 0.00 H new ATOM 1360 N MET A 23 -16.689 16.041 -0.442 1.00 0.00 N ATOM 1361 CA MET A 23 -17.783 16.419 0.514 1.00 0.00 C ATOM 1362 C MET A 23 -17.192 16.713 1.891 1.00 0.00 C ATOM 1363 O MET A 23 -17.846 17.260 2.756 1.00 0.00 O ATOM 1364 CB MET A 23 -18.771 15.258 0.630 1.00 0.00 C ATOM 1365 CG MET A 23 -19.425 15.009 -0.730 1.00 0.00 C ATOM 1366 SD MET A 23 -20.806 13.848 -0.542 1.00 0.00 S ATOM 1367 CE MET A 23 -19.859 12.302 -0.491 1.00 0.00 C ATOM 0 H MET A 23 -16.375 15.073 -0.377 1.00 0.00 H new ATOM 0 HA MET A 23 -18.293 17.308 0.144 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.255 14.359 0.968 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.532 15.487 1.375 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.783 15.949 -1.150 1.00 0.00 H new ATOM 0 HG3 MET A 23 -18.692 14.606 -1.429 1.00 0.00 H new ATOM 0 HE1 MET A 23 -20.539 11.463 -0.342 1.00 0.00 H new ATOM 0 HE2 MET A 23 -19.324 12.172 -1.431 1.00 0.00 H new ATOM 0 HE3 MET A 23 -19.144 12.340 0.331 1.00 0.00 H new ATOM 1377 N GLY A 24 -15.963 16.343 2.103 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.319 16.582 3.424 1.00 0.00 C ATOM 1379 C GLY A 24 -15.516 15.353 4.311 1.00 0.00 C ATOM 1380 O GLY A 24 -15.532 15.451 5.521 1.00 0.00 O ATOM 0 H GLY A 24 -15.371 15.881 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.256 16.783 3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.753 17.461 3.900 1.00 0.00 H new ATOM 1384 N ASP A 25 -15.661 14.188 3.723 1.00 0.00 N ATOM 1385 CA ASP A 25 -15.847 12.940 4.521 1.00 0.00 C ATOM 1386 C ASP A 25 -14.531 12.133 4.485 1.00 0.00 C ATOM 1387 O ASP A 25 -13.862 12.113 3.471 1.00 0.00 O ATOM 1388 CB ASP A 25 -16.947 12.100 3.865 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.215 12.941 3.711 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.353 13.909 4.441 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.027 12.603 2.864 1.00 0.00 O ATOM 0 H ASP A 25 -15.658 14.051 2.712 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.116 13.185 5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.614 11.745 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.155 11.218 4.471 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.147 11.465 5.555 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.878 10.670 5.547 1.00 0.00 C ATOM 1398 C PRO A 26 -12.986 9.353 4.743 1.00 0.00 C ATOM 1399 O PRO A 26 -13.848 8.539 4.997 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.708 10.358 7.048 1.00 0.00 C ATOM 1401 CG PRO A 26 -14.096 10.463 7.687 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.911 11.448 6.842 1.00 0.00 C ATOM 0 HA PRO A 26 -12.052 11.205 5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.293 9.360 7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.016 11.061 7.512 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.581 9.487 7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.020 10.811 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.938 11.112 6.702 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.959 12.436 7.301 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.086 9.126 3.813 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.100 7.833 3.031 1.00 0.00 C ATOM 1412 C VAL A 27 -10.661 7.339 2.875 1.00 0.00 C ATOM 1413 O VAL A 27 -9.731 8.113 2.937 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.707 8.034 1.639 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.232 8.128 1.749 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.118 9.309 1.022 1.00 0.00 C ATOM 0 H VAL A 27 -11.342 9.775 3.558 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.707 7.106 3.571 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.468 7.187 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.660 8.271 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.623 7.208 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.500 8.972 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.543 9.463 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.356 10.163 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.036 9.208 0.941 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.454 6.062 2.659 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.057 5.562 2.500 1.00 0.00 C ATOM 1428 C CYS A 28 -8.572 5.811 1.063 1.00 0.00 C ATOM 1429 O CYS A 28 -9.351 5.905 0.136 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.973 4.073 2.889 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.787 2.999 1.670 1.00 0.00 S ATOM 0 H CYS A 28 -11.184 5.354 2.587 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.396 6.109 3.172 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.927 3.783 2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.435 3.927 3.865 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.286 5.972 0.894 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.714 6.283 -0.455 1.00 0.00 C ATOM 1438 C ASN A 29 -7.287 5.371 -1.544 1.00 0.00 C ATOM 1439 O ASN A 29 -7.443 5.781 -2.679 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.195 6.098 -0.397 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.552 6.732 -1.630 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -3.354 7.244 -1.539 1.00 0.00 O flip ATOM 1443 ND2 ASN A 29 -5.149 6.770 -2.684 1.00 0.00 N flip ATOM 0 H ASN A 29 -6.596 5.901 1.642 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.976 7.310 -0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.797 6.556 0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.950 5.037 -0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.085 6.370 -2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.716 7.202 -3.500 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.601 4.154 -1.236 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.151 3.263 -2.293 1.00 0.00 C ATOM 1452 C ALA A 30 -9.604 3.653 -2.637 1.00 0.00 C ATOM 1453 O ALA A 30 -9.959 3.766 -3.793 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.087 1.822 -1.811 1.00 0.00 C ATOM 0 H ALA A 30 -7.504 3.736 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.554 3.371 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.489 1.163 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.051 1.552 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.676 1.717 -0.900 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.450 3.842 -1.652 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.879 4.205 -1.947 1.00 0.00 C ATOM 1462 C CYS A 31 -11.949 5.499 -2.754 1.00 0.00 C ATOM 1463 O CYS A 31 -12.737 5.627 -3.653 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.659 4.432 -0.644 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.126 2.856 0.092 1.00 0.00 S ATOM 0 H CYS A 31 -10.218 3.762 -0.662 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.313 3.380 -2.512 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.049 5.002 0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.551 5.025 -0.846 1.00 0.00 H new ATOM 1470 N GLY A 32 -11.160 6.469 -2.418 1.00 0.00 N ATOM 1471 CA GLY A 32 -11.241 7.755 -3.158 1.00 0.00 C ATOM 1472 C GLY A 32 -10.953 7.533 -4.640 1.00 0.00 C ATOM 1473 O GLY A 32 -11.655 8.030 -5.499 1.00 0.00 O ATOM 0 H GLY A 32 -10.467 6.433 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.232 8.191 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.526 8.466 -2.744 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.930 6.798 -4.953 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.614 6.558 -6.384 1.00 0.00 C ATOM 1479 C LEU A 33 -10.698 5.675 -7.006 1.00 0.00 C ATOM 1480 O LEU A 33 -11.233 5.981 -8.048 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.263 5.850 -6.476 1.00 0.00 C ATOM 1482 CG LEU A 33 -7.184 6.707 -5.796 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.846 5.947 -5.772 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -7.019 8.041 -6.554 1.00 0.00 C ATOM 0 H LEU A 33 -9.300 6.354 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.574 7.506 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.320 4.872 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.001 5.679 -7.520 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.490 6.916 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.087 6.562 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.966 5.016 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.536 5.724 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.253 8.644 -6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.723 7.840 -7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.965 8.582 -6.548 1.00 0.00 H new ATOM 1496 N TYR A 34 -11.032 4.587 -6.379 1.00 0.00 N ATOM 1497 CA TYR A 34 -12.086 3.705 -6.951 1.00 0.00 C ATOM 1498 C TYR A 34 -13.402 4.479 -7.075 1.00 0.00 C ATOM 1499 O TYR A 34 -14.087 4.410 -8.077 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.289 2.493 -6.038 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.446 1.669 -6.543 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.754 2.028 -6.200 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -13.215 0.555 -7.359 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.832 1.274 -6.674 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -14.293 -0.201 -7.831 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.603 0.159 -7.489 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.668 -0.580 -7.960 1.00 0.00 O ATOM 0 H TYR A 34 -10.625 4.269 -5.500 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.774 3.369 -7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.382 1.888 -6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.482 2.822 -5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.931 2.887 -5.570 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.205 0.280 -7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.842 1.552 -6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.116 -1.062 -8.459 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.335 -1.319 -8.512 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.765 5.199 -6.054 1.00 0.00 N ATOM 1518 CA TYR A 35 -15.041 5.965 -6.081 1.00 0.00 C ATOM 1519 C TYR A 35 -15.007 7.032 -7.179 1.00 0.00 C ATOM 1520 O TYR A 35 -15.934 7.194 -7.925 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.240 6.645 -4.721 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.684 7.040 -4.558 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.118 8.287 -5.008 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.585 6.156 -3.952 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.459 8.658 -4.850 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.924 6.521 -3.796 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.362 7.773 -4.243 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.683 8.136 -4.085 1.00 0.00 O ATOM 0 H TYR A 35 -13.227 5.291 -5.192 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.863 5.279 -6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.945 5.969 -3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.601 7.525 -4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.421 8.965 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.244 5.192 -3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.797 9.624 -5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.620 5.839 -3.331 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.172 7.408 -3.648 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.959 7.781 -7.274 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.915 8.844 -8.316 1.00 0.00 C ATOM 1540 C LYS A 36 -14.049 8.237 -9.718 1.00 0.00 C ATOM 1541 O LYS A 36 -14.743 8.768 -10.563 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.576 9.571 -8.186 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.444 10.656 -9.249 1.00 0.00 C ATOM 1544 CD LYS A 36 -11.186 11.489 -8.962 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.919 10.635 -9.144 1.00 0.00 C ATOM 1546 NZ LYS A 36 -9.646 9.875 -7.892 1.00 0.00 N ATOM 0 H LYS A 36 -13.131 7.710 -6.683 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.744 9.537 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.493 10.015 -7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.758 8.857 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.379 10.206 -10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.327 11.295 -9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.151 12.348 -9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.225 11.879 -7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.049 9.946 -9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.069 11.273 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.711 10.141 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.375 10.098 -7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.660 8.855 -8.095 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.393 7.146 -9.983 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.488 6.534 -11.343 1.00 0.00 C ATOM 1562 C LEU A 37 -14.875 5.917 -11.590 1.00 0.00 C ATOM 1563 O LEU A 37 -15.396 6.005 -12.684 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.400 5.453 -11.487 1.00 0.00 C ATOM 1565 CG LEU A 37 -11.077 6.086 -11.947 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.738 7.314 -11.086 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.953 5.056 -11.820 1.00 0.00 C ATOM 0 H LEU A 37 -12.796 6.649 -9.322 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.339 7.318 -12.085 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.255 4.944 -10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.720 4.699 -12.206 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.181 6.402 -12.985 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.798 7.749 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.534 8.053 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.641 7.012 -10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.013 5.501 -12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.864 4.740 -10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.180 4.191 -12.444 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.464 5.264 -10.611 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.802 4.612 -10.836 1.00 0.00 C ATOM 1581 C HIS A 38 -17.910 5.273 -10.013 1.00 0.00 C ATOM 1582 O HIS A 38 -19.074 5.006 -10.227 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.700 3.140 -10.448 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.681 2.476 -11.331 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -16.028 1.863 -12.524 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.320 2.331 -11.216 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.900 1.379 -13.074 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.829 1.636 -12.317 1.00 0.00 N ATOM 0 H HIS A 38 -15.081 5.154 -9.672 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.061 4.724 -11.889 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.412 3.045 -9.401 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.669 2.653 -10.557 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -16.968 1.792 -12.914 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.722 2.700 -10.396 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.864 0.847 -14.013 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.587 6.144 -9.100 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.632 6.832 -8.285 1.00 0.00 C ATOM 1598 C GLN A 39 -19.752 5.863 -7.860 1.00 0.00 C ATOM 1599 O GLN A 39 -20.925 6.096 -8.064 1.00 0.00 O ATOM 1600 CB GLN A 39 -19.145 8.054 -9.063 1.00 0.00 C ATOM 1601 CG GLN A 39 -20.136 8.857 -8.211 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.347 10.240 -8.826 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.543 10.702 -9.612 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.407 10.925 -8.494 1.00 0.00 N ATOM 0 H GLN A 39 -16.629 6.414 -8.879 1.00 0.00 H new ATOM 0 HA GLN A 39 -18.197 7.187 -7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.306 8.688 -9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.629 7.729 -9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -21.087 8.328 -8.148 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.758 8.955 -7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -22.080 10.535 -7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.562 11.850 -8.894 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.373 4.783 -7.223 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.354 3.793 -6.708 1.00 0.00 C ATOM 1615 C VAL A 40 -19.760 3.163 -5.451 1.00 0.00 C ATOM 1616 O VAL A 40 -18.558 3.112 -5.283 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.629 2.691 -7.730 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.501 3.233 -8.863 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.312 2.146 -8.293 1.00 0.00 C ATOM 0 H VAL A 40 -18.399 4.545 -7.037 1.00 0.00 H new ATOM 0 HA VAL A 40 -21.296 4.300 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.159 1.878 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.692 2.440 -9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.448 3.588 -8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.986 4.058 -9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.524 1.362 -9.020 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.763 2.952 -8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.711 1.736 -7.481 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.580 2.681 -4.565 1.00 0.00 N ATOM 1630 CA ASN A 41 -20.043 2.050 -3.321 1.00 0.00 C ATOM 1631 C ASN A 41 -19.730 0.577 -3.600 1.00 0.00 C ATOM 1632 O ASN A 41 -20.565 -0.163 -4.080 1.00 0.00 O ATOM 1633 CB ASN A 41 -21.076 2.158 -2.196 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.305 1.314 -2.538 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.652 1.162 -3.691 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.982 0.752 -1.573 1.00 0.00 N ATOM 0 H ASN A 41 -21.597 2.694 -4.643 1.00 0.00 H new ATOM 0 HA ASN A 41 -19.133 2.565 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.640 1.819 -1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -21.366 3.199 -2.055 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.802 0.185 -1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.690 0.880 -0.604 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.523 0.149 -3.317 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.134 -1.275 -3.576 1.00 0.00 C ATOM 1645 C ARG A 42 -18.190 -2.082 -2.258 1.00 0.00 C ATOM 1646 O ARG A 42 -17.696 -1.620 -1.247 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.698 -1.303 -4.109 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.354 -2.713 -4.593 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.889 -2.770 -5.024 1.00 0.00 C ATOM 1650 NE ARG A 42 -14.512 -4.188 -5.289 1.00 0.00 N ATOM 1651 CZ ARG A 42 -13.412 -4.461 -5.936 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -12.627 -3.493 -6.321 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -13.096 -5.699 -6.196 1.00 0.00 N ATOM 0 H ARG A 42 -17.786 0.728 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.820 -1.714 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.590 -0.591 -4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.004 -0.997 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.537 -3.435 -3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.999 -2.988 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.737 -2.167 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.252 -2.351 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.114 -4.945 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.873 -2.525 -6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.767 -3.704 -6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.709 -6.456 -5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.236 -5.910 -6.702 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.762 -3.276 -2.238 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.806 -4.069 -0.975 1.00 0.00 C ATOM 1669 C PRO A 43 -17.429 -4.134 -0.284 1.00 0.00 C ATOM 1670 O PRO A 43 -16.400 -4.047 -0.923 1.00 0.00 O ATOM 1671 CB PRO A 43 -19.269 -5.456 -1.459 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.742 -5.330 -2.922 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.396 -3.919 -3.430 1.00 0.00 C ATOM 0 HA PRO A 43 -19.463 -3.634 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.453 -6.175 -1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.078 -5.826 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -19.258 -6.085 -3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.816 -5.503 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.715 -3.952 -4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -20.285 -3.378 -3.755 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.413 -4.278 1.014 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.115 -4.341 1.762 1.00 0.00 C ATOM 1683 C LEU A 44 -15.292 -5.564 1.325 1.00 0.00 C ATOM 1684 O LEU A 44 -14.385 -5.981 2.016 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.411 -4.429 3.271 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.580 -3.024 3.851 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.813 -2.361 3.236 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.761 -3.119 5.369 1.00 0.00 C ATOM 0 H LEU A 44 -18.247 -4.356 1.596 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.536 -3.443 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.316 -5.013 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.598 -4.947 3.780 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.695 -2.429 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.932 -1.360 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.689 -2.294 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.698 -2.956 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.882 -2.118 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.646 -3.714 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.884 -3.592 5.811 1.00 0.00 H new ATOM 1700 N THR A 45 -15.582 -6.139 0.191 1.00 0.00 N ATOM 1701 CA THR A 45 -14.790 -7.318 -0.256 1.00 0.00 C ATOM 1702 C THR A 45 -13.353 -6.884 -0.573 1.00 0.00 C ATOM 1703 O THR A 45 -12.462 -7.702 -0.685 1.00 0.00 O ATOM 1704 CB THR A 45 -15.426 -7.921 -1.514 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.622 -6.901 -2.484 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.773 -8.562 -1.161 1.00 0.00 C ATOM 0 H THR A 45 -16.327 -5.846 -0.441 1.00 0.00 H new ATOM 0 HA THR A 45 -14.779 -8.063 0.539 1.00 0.00 H new ATOM 0 HB THR A 45 -14.763 -8.685 -1.920 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.027 -7.288 -3.288 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.220 -8.988 -2.059 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.619 -9.350 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.440 -7.804 -0.749 1.00 0.00 H new ATOM 1714 N MET A 46 -13.120 -5.602 -0.728 1.00 0.00 N ATOM 1715 CA MET A 46 -11.734 -5.114 -1.052 1.00 0.00 C ATOM 1716 C MET A 46 -11.030 -4.674 0.238 1.00 0.00 C ATOM 1717 O MET A 46 -9.873 -4.305 0.242 1.00 0.00 O ATOM 1718 CB MET A 46 -11.843 -3.919 -2.013 1.00 0.00 C ATOM 1719 CG MET A 46 -10.490 -3.649 -2.696 1.00 0.00 C ATOM 1720 SD MET A 46 -10.350 -4.682 -4.182 1.00 0.00 S ATOM 1721 CE MET A 46 -9.748 -3.411 -5.327 1.00 0.00 C ATOM 0 H MET A 46 -13.826 -4.871 -0.645 1.00 0.00 H new ATOM 0 HA MET A 46 -11.158 -5.913 -1.518 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.604 -4.120 -2.767 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.163 -3.033 -1.465 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.408 -2.595 -2.963 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.673 -3.868 -2.009 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.681 -3.829 -6.332 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.438 -2.567 -5.330 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.762 -3.072 -5.009 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.736 -4.686 1.325 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.149 -4.244 2.619 1.00 0.00 C ATOM 1733 C ARG A 47 -10.296 -5.345 3.264 1.00 0.00 C ATOM 1734 O ARG A 47 -10.749 -6.451 3.483 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.310 -3.889 3.541 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.810 -3.440 4.906 1.00 0.00 C ATOM 1737 CD ARG A 47 -13.026 -3.108 5.758 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.584 -2.571 7.084 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.855 -3.280 7.901 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.621 -4.541 7.653 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.396 -2.737 8.994 1.00 0.00 N ATOM 0 H ARG A 47 -12.709 -4.987 1.377 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.493 -3.390 2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.907 -3.096 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.964 -4.753 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.218 -4.227 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.162 -2.569 4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.650 -2.374 5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.636 -4.000 5.901 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.860 -1.627 7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.009 -4.977 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.050 -5.090 8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.607 -1.762 9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.826 -3.287 9.636 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.063 -5.026 3.593 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.155 -6.017 4.260 1.00 0.00 C ATOM 1757 C LYS A 48 -7.641 -5.378 5.556 1.00 0.00 C ATOM 1758 O LYS A 48 -7.339 -4.201 5.587 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.976 -6.342 3.336 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.193 -7.534 3.904 1.00 0.00 C ATOM 1761 CD LYS A 48 -4.931 -7.787 3.067 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.286 -8.528 1.770 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.003 -9.796 2.092 1.00 0.00 N ATOM 0 H LYS A 48 -8.644 -4.111 3.426 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.689 -6.942 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.339 -6.575 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.322 -5.475 3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.918 -7.337 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.822 -8.424 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.448 -6.839 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.216 -8.374 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.911 -7.896 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.380 -8.745 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.858 -10.482 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.632 -10.189 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.020 -9.603 2.197 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.571 -6.126 6.631 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.108 -5.541 7.932 1.00 0.00 C ATOM 1779 C ASP A 49 -5.936 -4.577 7.706 1.00 0.00 C ATOM 1780 O ASP A 49 -6.121 -3.381 7.599 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.675 -6.669 8.871 1.00 0.00 C ATOM 1782 CG ASP A 49 -6.318 -6.082 10.240 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -6.406 -4.875 10.386 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -5.966 -6.853 11.118 1.00 0.00 O ATOM 0 H ASP A 49 -7.814 -7.116 6.665 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.931 -4.984 8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.477 -7.399 8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.817 -7.195 8.454 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.731 -5.077 7.658 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.554 -4.177 7.464 1.00 0.00 C ATOM 1791 C GLY A 50 -3.521 -3.635 6.031 1.00 0.00 C ATOM 1792 O GLY A 50 -4.414 -3.876 5.241 1.00 0.00 O ATOM 0 H GLY A 50 -4.509 -6.069 7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.602 -3.349 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.634 -4.722 7.674 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.484 -2.909 5.688 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.370 -2.357 4.311 1.00 0.00 C ATOM 1798 C ILE A 51 -1.666 -3.383 3.420 1.00 0.00 C ATOM 1799 O ILE A 51 -0.702 -4.009 3.815 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.551 -1.063 4.342 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.117 -0.134 5.433 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.628 -0.380 2.967 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.661 1.307 5.192 1.00 0.00 C ATOM 0 H ILE A 51 -1.710 -2.677 6.310 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.364 -2.144 3.917 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.508 -1.285 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.206 -0.183 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.783 -0.469 6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.046 0.542 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.225 -1.048 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.667 -0.148 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.068 1.952 5.970 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.572 1.353 5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.017 1.643 4.218 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.129 -3.544 2.215 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.473 -4.512 1.293 1.00 0.00 C ATOM 1817 C GLN A 52 -0.135 -3.919 0.850 1.00 0.00 C ATOM 1818 O GLN A 52 0.019 -2.721 0.782 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.359 -4.737 0.064 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.612 -5.520 0.458 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.524 -5.657 -0.763 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -5.054 -6.718 -1.025 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.732 -4.616 -1.524 1.00 0.00 N ATOM 0 H GLN A 52 -2.932 -3.049 1.827 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.319 -5.465 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.641 -3.778 -0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.804 -5.283 -0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.336 -6.505 0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.137 -5.007 1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.286 -3.725 -1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.340 -4.694 -2.339 1.00 0.00 H new ATOM 1832 N THR A 53 0.851 -4.737 0.580 1.00 0.00 N ATOM 1833 CA THR A 53 2.185 -4.189 0.160 1.00 0.00 C ATOM 1834 C THR A 53 2.791 -5.046 -0.954 1.00 0.00 C ATOM 1835 O THR A 53 2.465 -6.204 -1.123 1.00 0.00 O ATOM 1836 CB THR A 53 3.126 -4.160 1.365 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.474 -4.194 0.920 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.842 -5.363 2.253 1.00 0.00 C ATOM 0 H THR A 53 0.795 -5.754 0.631 1.00 0.00 H new ATOM 0 HA THR A 53 2.047 -3.177 -0.220 1.00 0.00 H new ATOM 0 HB THR A 53 2.964 -3.245 1.934 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.075 -4.174 1.694 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.511 -5.346 3.113 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.808 -5.326 2.596 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.003 -6.280 1.686 1.00 0.00 H new ATOM 1846 N ARG A 54 3.673 -4.458 -1.717 1.00 0.00 N ATOM 1847 CA ARG A 54 4.335 -5.189 -2.851 1.00 0.00 C ATOM 1848 C ARG A 54 5.777 -4.699 -3.010 1.00 0.00 C ATOM 1849 O ARG A 54 6.173 -3.698 -2.448 1.00 0.00 O ATOM 1850 CB ARG A 54 3.582 -4.939 -4.172 1.00 0.00 C ATOM 1851 CG ARG A 54 2.138 -5.478 -4.118 1.00 0.00 C ATOM 1852 CD ARG A 54 2.123 -7.016 -4.109 1.00 0.00 C ATOM 1853 NE ARG A 54 3.029 -7.561 -5.178 1.00 0.00 N ATOM 1854 CZ ARG A 54 2.886 -7.236 -6.438 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.850 -6.551 -6.836 1.00 0.00 N ATOM 1856 NH2 ARG A 54 3.758 -7.653 -7.316 1.00 0.00 N ATOM 0 H ARG A 54 3.971 -3.489 -1.606 1.00 0.00 H new ATOM 0 HA ARG A 54 4.321 -6.255 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.563 -3.870 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.118 -5.417 -4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.639 -5.101 -3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.577 -5.110 -4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.442 -7.382 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.107 -7.376 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 54 3.777 -8.203 -4.914 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.140 -6.262 -6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.750 -6.304 -7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.546 -8.229 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.652 -7.403 -8.299 1.00 0.00 H new ATOM 1870 N ASN A 55 6.565 -5.404 -3.779 1.00 0.00 N ATOM 1871 CA ASN A 55 7.980 -4.982 -3.978 1.00 0.00 C ATOM 1872 C ASN A 55 7.995 -3.581 -4.596 1.00 0.00 C ATOM 1873 O ASN A 55 7.231 -3.277 -5.491 1.00 0.00 O ATOM 1874 CB ASN A 55 8.689 -5.969 -4.912 1.00 0.00 C ATOM 1875 CG ASN A 55 8.840 -7.325 -4.215 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.346 -7.402 -3.113 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.418 -8.404 -4.817 1.00 0.00 N ATOM 0 H ASN A 55 6.290 -6.251 -4.276 1.00 0.00 H new ATOM 0 HA ASN A 55 8.500 -4.969 -3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.119 -6.085 -5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.669 -5.581 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.513 -9.312 -4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.993 -8.339 -5.742 1.00 0.00 H new ATOM 1884 N ARG A 56 8.842 -2.719 -4.105 1.00 0.00 N ATOM 1885 CA ARG A 56 8.888 -1.323 -4.636 1.00 0.00 C ATOM 1886 C ARG A 56 9.199 -1.309 -6.138 1.00 0.00 C ATOM 1887 O ARG A 56 10.134 -1.934 -6.597 1.00 0.00 O ATOM 1888 CB ARG A 56 9.976 -0.526 -3.883 1.00 0.00 C ATOM 1889 CG ARG A 56 10.174 0.883 -4.493 1.00 0.00 C ATOM 1890 CD ARG A 56 8.902 1.724 -4.353 1.00 0.00 C ATOM 1891 NE ARG A 56 9.116 3.070 -4.944 1.00 0.00 N ATOM 1892 CZ ARG A 56 8.084 3.808 -5.255 1.00 0.00 C ATOM 1893 NH1 ARG A 56 6.877 3.356 -5.060 1.00 0.00 N ATOM 1894 NH2 ARG A 56 8.261 4.997 -5.760 1.00 0.00 N ATOM 0 H ARG A 56 9.506 -2.919 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 56 7.910 -0.866 -4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.699 -0.433 -2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.918 -1.073 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.003 1.386 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.441 0.793 -5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.070 1.227 -4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.632 1.818 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 56 10.062 3.415 -5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.738 2.426 -4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.071 3.932 -5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.205 5.351 -5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.455 5.573 -6.003 1.00 0.00 H new ATOM 1908 N LYS A 57 8.412 -0.595 -6.904 1.00 0.00 N ATOM 1909 CA LYS A 57 8.642 -0.520 -8.379 1.00 0.00 C ATOM 1910 C LYS A 57 9.976 0.163 -8.686 1.00 0.00 C ATOM 1911 O LYS A 57 10.785 0.394 -7.810 1.00 0.00 O ATOM 1912 CB LYS A 57 7.518 0.267 -9.032 1.00 0.00 C ATOM 1913 CG LYS A 57 7.319 1.577 -8.291 1.00 0.00 C ATOM 1914 CD LYS A 57 6.189 2.344 -8.964 1.00 0.00 C ATOM 1915 CE LYS A 57 5.953 3.669 -8.234 1.00 0.00 C ATOM 1916 NZ LYS A 57 4.763 4.353 -8.811 1.00 0.00 N ATOM 0 H LYS A 57 7.614 -0.057 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 57 8.666 -1.535 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.756 0.461 -10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.596 -0.315 -9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.078 1.388 -7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.237 2.164 -8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.437 2.533 -10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.277 1.747 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.800 3.487 -7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.832 4.307 -8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.795 5.365 -8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.765 4.240 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.897 3.932 -8.419 1.00 0.00 H new ATOM 1930 N VAL A 58 10.213 0.483 -9.931 1.00 0.00 N ATOM 1931 CA VAL A 58 11.493 1.143 -10.300 1.00 0.00 C ATOM 1932 C VAL A 58 11.607 2.476 -9.570 1.00 0.00 C ATOM 1933 O VAL A 58 10.638 3.192 -9.408 1.00 0.00 O ATOM 1934 CB VAL A 58 11.526 1.390 -11.812 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.378 0.060 -12.546 1.00 0.00 C ATOM 1936 CG2 VAL A 58 10.384 2.329 -12.224 1.00 0.00 C ATOM 0 H VAL A 58 9.573 0.314 -10.707 1.00 0.00 H new ATOM 0 HA VAL A 58 12.325 0.499 -10.017 1.00 0.00 H new ATOM 0 HB VAL A 58 12.477 1.854 -12.074 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.401 0.234 -13.622 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.198 -0.602 -12.268 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.429 -0.402 -12.274 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.420 2.495 -13.301 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.428 1.878 -11.958 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.492 3.282 -11.706 1.00 0.00 H new ATOM 1946 N SER A 59 12.782 2.825 -9.134 1.00 0.00 N ATOM 1947 CA SER A 59 12.950 4.123 -8.428 1.00 0.00 C ATOM 1948 C SER A 59 13.167 5.219 -9.473 1.00 0.00 C ATOM 1949 O SER A 59 14.177 5.248 -10.148 1.00 0.00 O ATOM 1950 CB SER A 59 14.161 4.044 -7.500 1.00 0.00 C ATOM 1951 OG SER A 59 13.940 3.034 -6.522 1.00 0.00 O ATOM 0 H SER A 59 13.632 2.270 -9.235 1.00 0.00 H new ATOM 0 HA SER A 59 12.064 4.347 -7.834 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.060 3.819 -8.075 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.325 5.006 -7.015 1.00 0.00 H new ATOM 0 HG SER A 59 14.716 2.980 -5.926 1.00 0.00 H new ATOM 1957 N SER A 60 12.219 6.115 -9.620 1.00 0.00 N ATOM 1958 CA SER A 60 12.350 7.214 -10.632 1.00 0.00 C ATOM 1959 C SER A 60 12.368 8.568 -9.926 1.00 0.00 C ATOM 1960 O SER A 60 11.435 8.934 -9.239 1.00 0.00 O ATOM 1961 CB SER A 60 11.158 7.165 -11.589 1.00 0.00 C ATOM 1962 OG SER A 60 11.274 8.218 -12.535 1.00 0.00 O ATOM 0 H SER A 60 11.354 6.133 -9.079 1.00 0.00 H new ATOM 0 HA SER A 60 13.279 7.082 -11.187 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.126 6.203 -12.100 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.226 7.261 -11.033 1.00 0.00 H new ATOM 0 HG SER A 60 10.513 8.189 -13.151 1.00 0.00 H new ATOM 1968 N LYS A 61 13.426 9.317 -10.095 1.00 0.00 N ATOM 1969 CA LYS A 61 13.521 10.658 -9.446 1.00 0.00 C ATOM 1970 C LYS A 61 13.228 11.733 -10.491 1.00 0.00 C ATOM 1971 O LYS A 61 13.932 11.864 -11.472 1.00 0.00 O ATOM 1972 CB LYS A 61 14.940 10.859 -8.904 1.00 0.00 C ATOM 1973 CG LYS A 61 15.341 9.667 -8.025 1.00 0.00 C ATOM 1974 CD LYS A 61 14.493 9.646 -6.749 1.00 0.00 C ATOM 1975 CE LYS A 61 15.119 8.689 -5.735 1.00 0.00 C ATOM 1976 NZ LYS A 61 14.174 8.491 -4.603 1.00 0.00 N ATOM 0 H LYS A 61 14.234 9.055 -10.659 1.00 0.00 H new ATOM 0 HA LYS A 61 12.804 10.726 -8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.642 10.964 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.990 11.781 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.206 8.737 -8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.398 9.734 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.428 10.649 -6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.475 9.332 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.343 7.733 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.063 9.093 -5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.506 7.706 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.126 9.361 -4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.229 8.267 -4.975 1.00 0.00 H new ATOM 1990 N GLY A 62 12.200 12.510 -10.291 1.00 0.00 N ATOM 1991 CA GLY A 62 11.878 13.574 -11.281 1.00 0.00 C ATOM 1992 C GLY A 62 10.725 14.434 -10.763 1.00 0.00 C ATOM 1993 O GLY A 62 9.998 14.047 -9.870 1.00 0.00 O ATOM 0 H GLY A 62 11.572 12.455 -9.489 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.756 14.196 -11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.607 13.124 -12.236 1.00 0.00 H new ATOM 1997 N LYS A 63 10.550 15.596 -11.326 1.00 0.00 N ATOM 1998 CA LYS A 63 9.441 16.487 -10.886 1.00 0.00 C ATOM 1999 C LYS A 63 9.092 17.421 -12.043 1.00 0.00 C ATOM 2000 O LYS A 63 9.915 17.691 -12.896 1.00 0.00 O ATOM 2001 CB LYS A 63 9.894 17.316 -9.671 1.00 0.00 C ATOM 2002 CG LYS A 63 8.697 18.039 -9.024 1.00 0.00 C ATOM 2003 CD LYS A 63 7.878 17.063 -8.163 1.00 0.00 C ATOM 2004 CE LYS A 63 6.852 17.843 -7.340 1.00 0.00 C ATOM 2005 NZ LYS A 63 5.863 18.484 -8.252 1.00 0.00 N ATOM 0 H LYS A 63 11.131 15.969 -12.077 1.00 0.00 H new ATOM 0 HA LYS A 63 8.571 15.895 -10.603 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.370 16.665 -8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.641 18.046 -9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.053 18.865 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.063 18.469 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.373 16.337 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.539 16.502 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.342 17.174 -6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.354 18.602 -6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.075 18.870 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.324 19.254 -8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.499 17.777 -8.922 1.00 0.00 H new ATOM 2019 N LYS A 64 7.892 17.921 -12.086 1.00 0.00 N ATOM 2020 CA LYS A 64 7.521 18.837 -13.198 1.00 0.00 C ATOM 2021 C LYS A 64 8.457 20.057 -13.154 1.00 0.00 C ATOM 2022 O LYS A 64 8.954 20.506 -14.168 1.00 0.00 O ATOM 2023 CB LYS A 64 6.047 19.272 -13.027 1.00 0.00 C ATOM 2024 CG LYS A 64 5.370 19.428 -14.398 1.00 0.00 C ATOM 2025 CD LYS A 64 6.070 20.524 -15.202 1.00 0.00 C ATOM 2026 CE LYS A 64 5.294 20.787 -16.491 1.00 0.00 C ATOM 2027 NZ LYS A 64 5.865 21.980 -17.179 1.00 0.00 N ATOM 0 H LYS A 64 7.155 17.737 -11.405 1.00 0.00 H new ATOM 0 HA LYS A 64 7.625 18.338 -14.162 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.510 18.533 -12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.001 20.215 -12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.409 18.484 -14.942 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.317 19.677 -14.267 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.134 21.438 -14.611 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.091 20.222 -15.435 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.348 19.916 -17.145 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.240 20.953 -16.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.337 22.160 -18.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.792 22.809 -16.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.865 21.805 -17.406 1.00 0.00 H new ATOM 2041 N ARG A 65 8.714 20.581 -11.978 1.00 0.00 N ATOM 2042 CA ARG A 65 9.628 21.761 -11.849 1.00 0.00 C ATOM 2043 C ARG A 65 10.966 21.293 -11.258 1.00 0.00 C ATOM 2044 O ARG A 65 11.012 20.629 -10.242 1.00 0.00 O ATOM 2045 CB ARG A 65 8.971 22.814 -10.919 1.00 0.00 C ATOM 2046 CG ARG A 65 8.333 23.949 -11.741 1.00 0.00 C ATOM 2047 CD ARG A 65 7.109 23.419 -12.487 1.00 0.00 C ATOM 2048 NE ARG A 65 6.003 23.176 -11.517 1.00 0.00 N ATOM 2049 CZ ARG A 65 4.789 22.970 -11.949 1.00 0.00 C ATOM 2050 NH1 ARG A 65 4.544 22.987 -13.230 1.00 0.00 N ATOM 2051 NH2 ARG A 65 3.820 22.750 -11.101 1.00 0.00 N ATOM 0 H ARG A 65 8.328 20.240 -11.098 1.00 0.00 H new ATOM 0 HA ARG A 65 9.805 22.211 -12.826 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.211 22.336 -10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.720 23.226 -10.243 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.043 24.769 -11.084 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.058 24.350 -12.450 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.792 24.136 -13.244 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.359 22.495 -13.008 1.00 0.00 H new ATOM 0 HE ARG A 65 6.195 23.171 -10.515 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.301 23.161 -13.892 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.596 22.826 -13.570 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.012 22.739 -10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.872 22.589 -11.441 1.00 0.00 H new ATOM 2065 N ARG A 66 12.054 21.642 -11.892 1.00 0.00 N ATOM 2066 CA ARG A 66 13.389 21.228 -11.375 1.00 0.00 C ATOM 2067 C ARG A 66 13.868 22.252 -10.345 1.00 0.00 C ATOM 2068 O ARG A 66 14.502 23.214 -10.747 1.00 0.00 O ATOM 2069 CB ARG A 66 14.386 21.160 -12.536 1.00 0.00 C ATOM 2070 CG ARG A 66 15.688 20.513 -12.056 1.00 0.00 C ATOM 2071 CD ARG A 66 16.686 20.445 -13.215 1.00 0.00 C ATOM 2072 NE ARG A 66 17.951 19.813 -12.739 1.00 0.00 N ATOM 2073 CZ ARG A 66 18.844 19.408 -13.603 1.00 0.00 C ATOM 2074 NH1 ARG A 66 18.631 19.565 -14.880 1.00 0.00 N ATOM 2075 NH2 ARG A 66 19.948 18.849 -13.188 1.00 0.00 N ATOM 2076 OXT ARG A 66 13.586 22.062 -9.174 1.00 0.00 O ATOM 0 H ARG A 66 12.075 22.197 -12.747 1.00 0.00 H new ATOM 0 HA ARG A 66 13.315 20.247 -10.906 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.963 20.584 -13.359 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.585 22.162 -12.918 1.00 0.00 H new ATOM 0 HG2 ARG A 66 16.110 21.089 -11.233 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.489 19.511 -11.675 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.265 19.869 -14.039 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.887 21.446 -13.596 1.00 0.00 H new ATOM 0 HE ARG A 66 18.119 19.697 -11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.769 20.003 -15.203 1.00 0.00 H new ATOM 0 HH12 ARG A 66 19.327 19.250 -15.556 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.114 18.728 -12.189 1.00 0.00 H new ATOM 0 HH22 ARG A 66 20.645 18.533 -13.863 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -12.062 2.779 2.105 1.00 0.00 ZN