USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 913 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot -172:sc= 0.0179 USER MOD Set 1.2: A 29 ASN : amide:sc= -6.51! C(o=-7.6!,f=-7.7!) USER MOD Set 1.3: C 125 DT C7 :methyl -30:sc= -1.13 (180deg=-0.62) USER MOD Single : A 1 LYS N :NH3+ -164:sc= -0.079 (180deg=-0.436) USER MOD Single : A 1 LYS NZ :NH3+ 138:sc= -0.103 (180deg=-0.713) USER MOD Single : A 5 THR OG1 : rot -143:sc= -0.585 USER MOD Single : A 8 SER OG : rot 77:sc= 0.948 USER MOD Single : A 9 ASN : amide:sc= -2.34! C(o=-2.3!,f=-3.3!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -36:sc= 0.854 USER MOD Single : A 14 THR OG1 : rot 54:sc= 0.371! USER MOD Single : A 15 THR OG1 : rot -133:sc= 1.2 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) 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+ -122:sc= -0.138 (180deg=-0.916) USER MOD Single : A 38 HIS :FLIP no HE2:sc= -2.23 F(o=-3.7!,f=-2.2) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 ASN : amide:sc= -2.24! C(o=-2.2!,f=-4.8!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 155:sc= -2.1 (180deg=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0172 (180deg=-0.358) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 55 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.8!) USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 1.86 (180deg=1.85) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.0163 (180deg=-0.259) USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= -0.0346 (180deg=-0.493) USER MOD Single : B 101 DG O5' : rot 180:sc= -0.112 USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.908 (180deg=-1.86!) USER MOD Single : B 103 DT C7 :methyl -30:sc= -1.52! (180deg=-1.97!) USER MOD Single : B 109 DT C7 :methyl -30:sc= -1.18 (180deg=-1.29) USER MOD Single : B 115 DT C7 :methyl -30:sc= -0.392 (180deg=-0.618) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.71 (180deg=-0.71) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 79:sc= -1.68! USER MOD Single : C 119 DT C7 :methyl -30:sc= -0.265 (180deg=-0.939) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.769 (180deg=-0.769) USER MOD Single : C 122 DT C7 :methyl -30:sc= -0.0583 (180deg=-0.674) USER MOD Single : C 123 DT C7 :methyl -30:sc= -0.522 (180deg=-2.94!) USER MOD Single : C 127 DT C7 :methyl -30:sc= -1.23 (180deg=-1.26) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 20.036 20.535 8.960 1.00 0.00 O ATOM 2 C5' DG B 101 20.505 19.957 10.180 1.00 0.00 C ATOM 3 C4' DG B 101 19.412 19.133 10.874 1.00 0.00 C ATOM 4 O4' DG B 101 18.384 20.003 11.397 1.00 0.00 O ATOM 5 C3' DG B 101 18.743 18.142 9.916 1.00 0.00 C ATOM 6 O3' DG B 101 18.637 16.851 10.531 1.00 0.00 O ATOM 7 C2' DG B 101 17.369 18.710 9.651 1.00 0.00 C ATOM 8 C1' DG B 101 17.129 19.767 10.718 1.00 0.00 C ATOM 9 N9 DG B 101 16.612 21.019 10.134 1.00 0.00 N ATOM 10 C8 DG B 101 17.116 21.770 9.110 1.00 0.00 C ATOM 11 N7 DG B 101 16.453 22.858 8.849 1.00 0.00 N ATOM 12 C5 DG B 101 15.415 22.832 9.781 1.00 0.00 C ATOM 13 C6 DG B 101 14.355 23.753 9.995 1.00 0.00 C ATOM 14 O6 DG B 101 14.117 24.795 9.390 1.00 0.00 O ATOM 15 N1 DG B 101 13.528 23.345 11.034 1.00 0.00 N ATOM 16 C2 DG B 101 13.699 22.199 11.777 1.00 0.00 C ATOM 17 N2 DG B 101 12.808 21.988 12.745 1.00 0.00 N ATOM 18 N3 DG B 101 14.691 21.330 11.581 1.00 0.00 N ATOM 19 C4 DG B 101 15.507 21.709 10.570 1.00 0.00 C ATOM 0 H5' DG B 101 20.846 20.747 10.850 1.00 0.00 H new ATOM 0 H5'' DG B 101 21.365 19.320 9.974 1.00 0.00 H new ATOM 0 H4' DG B 101 19.901 18.581 11.677 1.00 0.00 H new ATOM 0 H3' DG B 101 19.315 18.014 8.997 1.00 0.00 H new ATOM 0 H2' DG B 101 17.315 19.146 8.653 1.00 0.00 H new ATOM 0 H2'' DG B 101 16.610 17.929 9.700 1.00 0.00 H new ATOM 0 HO5' DG B 101 20.757 21.054 8.546 1.00 0.00 H new ATOM 0 H1' DG B 101 16.374 19.413 11.420 1.00 0.00 H new ATOM 0 H8 DG B 101 17.999 21.482 8.559 1.00 0.00 H new ATOM 0 H1 DG B 101 12.733 23.941 11.264 1.00 0.00 H new ATOM 0 H21 DG B 101 12.879 21.157 13.331 1.00 0.00 H new ATOM 0 H22 DG B 101 12.055 22.658 12.899 1.00 0.00 H new ATOM 32 P DT B 102 17.969 15.609 9.750 1.00 0.00 P ATOM 33 OP1 DT B 102 18.651 14.370 10.184 1.00 0.00 O ATOM 34 OP2 DT B 102 17.905 15.947 8.307 1.00 0.00 O ATOM 35 O5' DT B 102 16.462 15.581 10.328 1.00 0.00 O ATOM 36 C5' DT B 102 16.242 15.395 11.730 1.00 0.00 C ATOM 37 C4' DT B 102 14.752 15.399 12.114 1.00 0.00 C ATOM 38 O4' DT B 102 14.197 16.732 11.978 1.00 0.00 O ATOM 39 C3' DT B 102 13.900 14.456 11.246 1.00 0.00 C ATOM 40 O3' DT B 102 13.253 13.474 12.066 1.00 0.00 O ATOM 41 C2' DT B 102 12.859 15.325 10.589 1.00 0.00 C ATOM 42 C1' DT B 102 12.935 16.680 11.269 1.00 0.00 C ATOM 43 N1 DT B 102 12.826 17.796 10.293 1.00 0.00 N ATOM 44 C2 DT B 102 11.786 18.705 10.445 1.00 0.00 C ATOM 45 O2 DT B 102 10.924 18.569 11.312 1.00 0.00 O ATOM 46 N3 DT B 102 11.769 19.765 9.562 1.00 0.00 N ATOM 47 C4 DT B 102 12.683 19.993 8.547 1.00 0.00 C ATOM 48 O4 DT B 102 12.579 20.981 7.825 1.00 0.00 O ATOM 49 C5 DT B 102 13.724 18.992 8.453 1.00 0.00 C ATOM 50 C7 DT B 102 14.785 19.122 7.352 1.00 0.00 C ATOM 51 C6 DT B 102 13.760 17.946 9.313 1.00 0.00 C ATOM 0 H5' DT B 102 16.755 16.184 12.280 1.00 0.00 H new ATOM 0 H5'' DT B 102 16.688 14.450 12.039 1.00 0.00 H new ATOM 0 H4' DT B 102 14.715 15.053 13.147 1.00 0.00 H new ATOM 0 H3' DT B 102 14.514 13.930 10.516 1.00 0.00 H new ATOM 0 H2' DT B 102 13.049 15.417 9.520 1.00 0.00 H new ATOM 0 H2'' DT B 102 11.865 14.891 10.700 1.00 0.00 H new ATOM 0 H1' DT B 102 12.098 16.799 11.957 1.00 0.00 H new ATOM 0 H3 DT B 102 11.014 20.443 9.666 1.00 0.00 H new ATOM 0 H71 DT B 102 14.351 19.622 6.486 1.00 0.00 H new ATOM 0 H72 DT B 102 15.626 19.706 7.725 1.00 0.00 H new ATOM 0 H73 DT B 102 15.132 18.130 7.062 1.00 0.00 H new ATOM 0 H6 DT B 102 14.548 17.214 9.219 1.00 0.00 H new ATOM 64 P DT B 103 12.287 12.353 11.420 1.00 0.00 P ATOM 65 OP1 DT B 103 12.251 11.188 12.333 1.00 0.00 O ATOM 66 OP2 DT B 103 12.677 12.167 10.003 1.00 0.00 O ATOM 67 O5' DT B 103 10.844 13.086 11.460 1.00 0.00 O ATOM 68 C5' DT B 103 10.297 13.498 12.720 1.00 0.00 C ATOM 69 C4' DT B 103 8.922 14.183 12.604 1.00 0.00 C ATOM 70 O4' DT B 103 9.053 15.491 12.000 1.00 0.00 O ATOM 71 C3' DT B 103 7.922 13.378 11.769 1.00 0.00 C ATOM 72 O3' DT B 103 6.798 13.025 12.575 1.00 0.00 O ATOM 73 C2' DT B 103 7.487 14.293 10.644 1.00 0.00 C ATOM 74 C1' DT B 103 8.064 15.666 10.959 1.00 0.00 C ATOM 75 N1 DT B 103 8.671 16.295 9.755 1.00 0.00 N ATOM 76 C2 DT B 103 8.166 17.511 9.319 1.00 0.00 C ATOM 77 O2 DT B 103 7.215 18.056 9.874 1.00 0.00 O ATOM 78 N3 DT B 103 8.789 18.068 8.219 1.00 0.00 N ATOM 79 C4 DT B 103 9.855 17.527 7.524 1.00 0.00 C ATOM 80 O4 DT B 103 10.338 18.114 6.560 1.00 0.00 O ATOM 81 C5 DT B 103 10.311 16.258 8.043 1.00 0.00 C ATOM 82 C7 DT B 103 11.470 15.542 7.339 1.00 0.00 C ATOM 83 C6 DT B 103 9.717 15.696 9.121 1.00 0.00 C ATOM 0 H5' DT B 103 10.995 14.183 13.202 1.00 0.00 H new ATOM 0 H5'' DT B 103 10.205 12.627 13.369 1.00 0.00 H new ATOM 0 H4' DT B 103 8.543 14.259 13.623 1.00 0.00 H new ATOM 0 H3' DT B 103 8.362 12.457 11.386 1.00 0.00 H new ATOM 0 H2' DT B 103 7.853 13.929 9.684 1.00 0.00 H new ATOM 0 H2'' DT B 103 6.400 14.335 10.576 1.00 0.00 H new ATOM 0 H1' DT B 103 7.270 16.335 11.290 1.00 0.00 H new ATOM 0 H3 DT B 103 8.429 18.963 7.888 1.00 0.00 H new ATOM 0 H71 DT B 103 11.461 15.791 6.278 1.00 0.00 H new ATOM 0 H72 DT B 103 12.415 15.861 7.778 1.00 0.00 H new ATOM 0 H73 DT B 103 11.359 14.464 7.460 1.00 0.00 H new ATOM 0 H6 DT B 103 10.082 14.748 9.488 1.00 0.00 H new ATOM 96 P DG B 104 5.697 11.988 12.037 1.00 0.00 P ATOM 97 OP1 DG B 104 5.042 11.369 13.214 1.00 0.00 O ATOM 98 OP2 DG B 104 6.336 11.129 11.018 1.00 0.00 O ATOM 99 O5' DG B 104 4.615 12.921 11.296 1.00 0.00 O ATOM 100 C5' DG B 104 3.915 13.929 12.026 1.00 0.00 C ATOM 101 C4' DG B 104 2.940 14.698 11.134 1.00 0.00 C ATOM 102 O4' DG B 104 3.655 15.533 10.199 1.00 0.00 O ATOM 103 C3' DG B 104 2.052 13.740 10.334 1.00 0.00 C ATOM 104 O3' DG B 104 0.674 14.088 10.504 1.00 0.00 O ATOM 105 C2' DG B 104 2.457 13.933 8.894 1.00 0.00 C ATOM 106 C1' DG B 104 3.304 15.197 8.840 1.00 0.00 C ATOM 107 N9 DG B 104 4.530 15.013 8.033 1.00 0.00 N ATOM 108 C8 DG B 104 5.480 14.033 8.099 1.00 0.00 C ATOM 109 N7 DG B 104 6.474 14.172 7.271 1.00 0.00 N ATOM 110 C5 DG B 104 6.159 15.346 6.588 1.00 0.00 C ATOM 111 C6 DG B 104 6.869 16.025 5.555 1.00 0.00 C ATOM 112 O6 DG B 104 7.946 15.725 5.042 1.00 0.00 O ATOM 113 N1 DG B 104 6.200 17.172 5.149 1.00 0.00 N ATOM 114 C2 DG B 104 5.003 17.618 5.669 1.00 0.00 C ATOM 115 N2 DG B 104 4.532 18.766 5.178 1.00 0.00 N ATOM 116 N3 DG B 104 4.336 16.984 6.636 1.00 0.00 N ATOM 117 C4 DG B 104 4.968 15.862 7.045 1.00 0.00 C ATOM 0 H5' DG B 104 4.631 14.623 12.466 1.00 0.00 H new ATOM 0 H5'' DG B 104 3.369 13.469 12.850 1.00 0.00 H new ATOM 0 H4' DG B 104 2.322 15.312 11.789 1.00 0.00 H new ATOM 0 H3' DG B 104 2.171 12.706 10.659 1.00 0.00 H new ATOM 0 H2' DG B 104 3.022 13.074 8.533 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.579 14.029 8.255 1.00 0.00 H new ATOM 0 H1' DG B 104 2.734 15.995 8.363 1.00 0.00 H new ATOM 0 H8 DG B 104 5.411 13.204 8.788 1.00 0.00 H new ATOM 0 H1 DG B 104 6.627 17.728 4.408 1.00 0.00 H new ATOM 0 H21 DG B 104 3.651 19.145 5.524 1.00 0.00 H new ATOM 0 H22 DG B 104 5.053 19.264 4.456 1.00 0.00 H new ATOM 129 P DC B 105 -0.489 13.226 9.798 1.00 0.00 P ATOM 130 OP1 DC B 105 -1.726 13.414 10.590 1.00 0.00 O ATOM 131 OP2 DC B 105 0.028 11.862 9.560 1.00 0.00 O ATOM 132 O5' DC B 105 -0.698 13.944 8.363 1.00 0.00 O ATOM 133 C5' DC B 105 -1.101 15.315 8.281 1.00 0.00 C ATOM 134 C4' DC B 105 -1.245 15.799 6.830 1.00 0.00 C ATOM 135 O4' DC B 105 0.051 15.921 6.187 1.00 0.00 O ATOM 136 C3' DC B 105 -2.096 14.845 5.982 1.00 0.00 C ATOM 137 O3' DC B 105 -3.210 15.565 5.426 1.00 0.00 O ATOM 138 C2' DC B 105 -1.179 14.335 4.892 1.00 0.00 C ATOM 139 C1' DC B 105 0.037 15.251 4.902 1.00 0.00 C ATOM 140 N1 DC B 105 1.313 14.514 4.675 1.00 0.00 N ATOM 141 C2 DC B 105 2.107 14.889 3.593 1.00 0.00 C ATOM 142 O2 DC B 105 1.723 15.770 2.828 1.00 0.00 O ATOM 143 N3 DC B 105 3.304 14.266 3.419 1.00 0.00 N ATOM 144 C4 DC B 105 3.712 13.313 4.266 1.00 0.00 C ATOM 145 N4 DC B 105 4.893 12.727 4.068 1.00 0.00 N ATOM 146 C5 DC B 105 2.902 12.922 5.377 1.00 0.00 C ATOM 147 C6 DC B 105 1.716 13.545 5.537 1.00 0.00 C ATOM 0 H5' DC B 105 -0.370 15.937 8.797 1.00 0.00 H new ATOM 0 H5'' DC B 105 -2.051 15.443 8.799 1.00 0.00 H new ATOM 0 H4' DC B 105 -1.736 16.770 6.888 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.502 14.019 6.565 1.00 0.00 H new ATOM 0 H2' DC B 105 -0.890 13.301 5.078 1.00 0.00 H new ATOM 0 H2'' DC B 105 -1.676 14.357 3.922 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.038 15.965 4.082 1.00 0.00 H new ATOM 0 H41 DC B 105 5.215 12.000 4.707 1.00 0.00 H new ATOM 0 H42 DC B 105 5.475 13.006 3.278 1.00 0.00 H new ATOM 0 H5 DC B 105 3.228 12.155 6.064 1.00 0.00 H new ATOM 0 H6 DC B 105 1.077 13.269 6.363 1.00 0.00 H new ATOM 159 P DA B 106 -4.302 14.845 4.486 1.00 0.00 P ATOM 160 OP1 DA B 106 -5.617 15.470 4.760 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.142 13.382 4.624 1.00 0.00 O ATOM 162 O5' DA B 106 -3.857 15.258 2.988 1.00 0.00 O ATOM 163 C5' DA B 106 -3.810 16.639 2.605 1.00 0.00 C ATOM 164 C4' DA B 106 -3.367 16.832 1.151 1.00 0.00 C ATOM 165 O4' DA B 106 -1.967 16.527 0.986 1.00 0.00 O ATOM 166 C3' DA B 106 -4.165 15.950 0.183 1.00 0.00 C ATOM 167 O3' DA B 106 -4.842 16.775 -0.754 1.00 0.00 O ATOM 168 C2' DA B 106 -3.142 15.100 -0.544 1.00 0.00 C ATOM 169 C1' DA B 106 -1.770 15.579 -0.090 1.00 0.00 C ATOM 170 N9 DA B 106 -0.947 14.463 0.377 1.00 0.00 N ATOM 171 C8 DA B 106 -1.199 13.631 1.403 1.00 0.00 C ATOM 172 N7 DA B 106 -0.258 12.780 1.675 1.00 0.00 N ATOM 173 C5 DA B 106 0.711 13.076 0.718 1.00 0.00 C ATOM 174 C6 DA B 106 1.970 12.537 0.441 1.00 0.00 C ATOM 175 N6 DA B 106 2.522 11.554 1.151 1.00 0.00 N ATOM 176 N1 DA B 106 2.654 13.064 -0.588 1.00 0.00 N ATOM 177 C2 DA B 106 2.136 14.064 -1.301 1.00 0.00 C ATOM 178 N3 DA B 106 0.959 14.651 -1.120 1.00 0.00 N ATOM 179 C4 DA B 106 0.293 14.100 -0.084 1.00 0.00 C ATOM 0 H5' DA B 106 -3.124 17.172 3.264 1.00 0.00 H new ATOM 0 H5'' DA B 106 -4.795 17.084 2.743 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.552 17.880 0.917 1.00 0.00 H new ATOM 0 H3' DA B 106 -4.902 15.339 0.704 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.280 14.044 -0.310 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.250 15.204 -1.624 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.249 16.042 -0.928 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.122 13.669 1.963 1.00 0.00 H new ATOM 0 H61 DA B 106 3.446 11.201 0.901 1.00 0.00 H new ATOM 0 H62 DA B 106 2.021 11.155 1.945 1.00 0.00 H new ATOM 0 H2 DA B 106 2.740 14.438 -2.115 1.00 0.00 H new ATOM 191 P DG B 107 -5.766 16.149 -1.905 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.688 17.204 -2.387 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.300 14.856 -1.423 1.00 0.00 O ATOM 194 O5' DG B 107 -4.670 15.857 -3.045 1.00 0.00 O ATOM 195 C5' DG B 107 -3.900 16.930 -3.580 1.00 0.00 C ATOM 196 C4' DG B 107 -2.863 16.443 -4.595 1.00 0.00 C ATOM 197 O4' DG B 107 -1.803 15.692 -3.938 1.00 0.00 O ATOM 198 C3' DG B 107 -3.481 15.528 -5.660 1.00 0.00 C ATOM 199 O3' DG B 107 -3.207 16.081 -6.957 1.00 0.00 O ATOM 200 C2' DG B 107 -2.806 14.190 -5.484 1.00 0.00 C ATOM 201 C1' DG B 107 -1.559 14.463 -4.667 1.00 0.00 C ATOM 202 N9 DG B 107 -1.216 13.333 -3.767 1.00 0.00 N ATOM 203 C8 DG B 107 -1.940 12.766 -2.749 1.00 0.00 C ATOM 204 N7 DG B 107 -1.355 11.793 -2.140 1.00 0.00 N ATOM 205 C5 DG B 107 -0.136 11.684 -2.784 1.00 0.00 C ATOM 206 C6 DG B 107 0.926 10.786 -2.535 1.00 0.00 C ATOM 207 O6 DG B 107 0.981 9.901 -1.692 1.00 0.00 O ATOM 208 N1 DG B 107 1.988 10.999 -3.397 1.00 0.00 N ATOM 209 C2 DG B 107 2.022 11.959 -4.386 1.00 0.00 C ATOM 210 N2 DG B 107 3.136 12.007 -5.117 1.00 0.00 N ATOM 211 N3 DG B 107 1.016 12.815 -4.627 1.00 0.00 N ATOM 212 C4 DG B 107 -0.031 12.619 -3.785 1.00 0.00 C ATOM 0 H5' DG B 107 -3.395 17.453 -2.768 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.565 17.650 -4.058 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.465 17.340 -5.070 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.562 15.430 -5.564 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.462 13.485 -4.973 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.553 13.749 -6.448 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.691 14.570 -5.318 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.927 13.110 -2.478 1.00 0.00 H new ATOM 0 H1 DG B 107 2.807 10.400 -3.293 1.00 0.00 H new ATOM 0 H21 DG B 107 3.226 12.694 -5.865 1.00 0.00 H new ATOM 0 H22 DG B 107 3.898 11.356 -4.928 1.00 0.00 H new ATOM 224 P DA B 108 -3.703 15.387 -8.323 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.008 16.457 -9.299 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.731 14.380 -7.986 1.00 0.00 O ATOM 227 O5' DA B 108 -2.379 14.617 -8.821 1.00 0.00 O ATOM 228 C5' DA B 108 -1.188 15.365 -9.096 1.00 0.00 C ATOM 229 C4' DA B 108 -0.027 14.471 -9.538 1.00 0.00 C ATOM 230 O4' DA B 108 0.460 13.673 -8.431 1.00 0.00 O ATOM 231 C3' DA B 108 -0.439 13.516 -10.661 1.00 0.00 C ATOM 232 O3' DA B 108 0.387 13.734 -11.804 1.00 0.00 O ATOM 233 C2' DA B 108 -0.228 12.125 -10.115 1.00 0.00 C ATOM 234 C1' DA B 108 0.553 12.285 -8.822 1.00 0.00 C ATOM 235 N9 DA B 108 0.036 11.394 -7.767 1.00 0.00 N ATOM 236 C8 DA B 108 -1.243 11.248 -7.302 1.00 0.00 C ATOM 237 N7 DA B 108 -1.410 10.297 -6.441 1.00 0.00 N ATOM 238 C5 DA B 108 -0.131 9.768 -6.309 1.00 0.00 C ATOM 239 C6 DA B 108 0.375 8.730 -5.537 1.00 0.00 C ATOM 240 N6 DA B 108 -0.395 7.959 -4.783 1.00 0.00 N ATOM 241 N1 DA B 108 1.692 8.469 -5.623 1.00 0.00 N ATOM 242 C2 DA B 108 2.466 9.189 -6.433 1.00 0.00 C ATOM 243 N3 DA B 108 2.084 10.192 -7.220 1.00 0.00 N ATOM 244 C4 DA B 108 0.757 10.430 -7.103 1.00 0.00 C ATOM 0 H5' DA B 108 -0.897 15.920 -8.204 1.00 0.00 H new ATOM 0 H5'' DA B 108 -1.395 16.099 -9.875 1.00 0.00 H new ATOM 0 H4' DA B 108 0.755 15.139 -9.899 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.473 13.668 -10.969 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.182 11.630 -9.934 1.00 0.00 H new ATOM 0 H2'' DA B 108 0.321 11.508 -10.826 1.00 0.00 H new ATOM 0 H1' DA B 108 1.595 12.004 -8.973 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.054 11.881 -7.630 1.00 0.00 H new ATOM 0 H61 DA B 108 0.020 7.208 -4.232 1.00 0.00 H new ATOM 0 H62 DA B 108 -1.402 8.117 -4.754 1.00 0.00 H new ATOM 0 H2 DA B 108 3.515 8.932 -6.453 1.00 0.00 H new ATOM 256 P DT B 109 0.186 12.871 -13.144 1.00 0.00 P ATOM 257 OP1 DT B 109 0.716 13.659 -14.281 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.205 12.372 -13.170 1.00 0.00 O ATOM 259 O5' DT B 109 1.175 11.621 -12.900 1.00 0.00 O ATOM 260 C5' DT B 109 2.574 11.866 -12.717 1.00 0.00 C ATOM 261 C4' DT B 109 3.375 10.580 -12.487 1.00 0.00 C ATOM 262 O4' DT B 109 3.099 10.028 -11.180 1.00 0.00 O ATOM 263 C3' DT B 109 3.069 9.508 -13.538 1.00 0.00 C ATOM 264 O3' DT B 109 4.228 9.241 -14.320 1.00 0.00 O ATOM 265 C2' DT B 109 2.694 8.265 -12.748 1.00 0.00 C ATOM 266 C1' DT B 109 2.899 8.601 -11.269 1.00 0.00 C ATOM 267 N1 DT B 109 1.728 8.193 -10.446 1.00 0.00 N ATOM 268 C2 DT B 109 1.924 7.290 -9.409 1.00 0.00 C ATOM 269 O2 DT B 109 3.030 6.818 -9.156 1.00 0.00 O ATOM 270 N3 DT B 109 0.806 6.965 -8.663 1.00 0.00 N ATOM 271 C4 DT B 109 -0.473 7.461 -8.860 1.00 0.00 C ATOM 272 O4 DT B 109 -1.396 7.120 -8.127 1.00 0.00 O ATOM 273 C5 DT B 109 -0.583 8.389 -9.962 1.00 0.00 C ATOM 274 C7 DT B 109 -1.956 8.986 -10.293 1.00 0.00 C ATOM 275 C6 DT B 109 0.499 8.717 -10.702 1.00 0.00 C ATOM 0 H5' DT B 109 2.714 12.533 -11.866 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.966 12.381 -13.594 1.00 0.00 H new ATOM 0 H4' DT B 109 4.426 10.859 -12.565 1.00 0.00 H new ATOM 0 H3' DT B 109 2.276 9.824 -14.216 1.00 0.00 H new ATOM 0 H2' DT B 109 1.659 7.983 -12.940 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.315 7.419 -13.042 1.00 0.00 H new ATOM 0 H1' DT B 109 3.760 8.056 -10.882 1.00 0.00 H new ATOM 0 H3 DT B 109 0.934 6.301 -7.900 1.00 0.00 H new ATOM 0 H71 DT B 109 -2.737 8.275 -10.022 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.096 9.910 -9.732 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.013 9.198 -11.361 1.00 0.00 H new ATOM 0 H6 DT B 109 0.385 9.414 -11.519 1.00 0.00 H new ATOM 288 P DA B 110 4.176 8.239 -15.577 1.00 0.00 P ATOM 289 OP1 DA B 110 5.283 8.578 -16.500 1.00 0.00 O ATOM 290 OP2 DA B 110 2.782 8.194 -16.078 1.00 0.00 O ATOM 291 O5' DA B 110 4.505 6.828 -14.885 1.00 0.00 O ATOM 292 C5' DA B 110 5.737 6.639 -14.200 1.00 0.00 C ATOM 293 C4' DA B 110 5.845 5.233 -13.619 1.00 0.00 C ATOM 294 O4' DA B 110 4.875 5.059 -12.547 1.00 0.00 O ATOM 295 C3' DA B 110 5.558 4.149 -14.657 1.00 0.00 C ATOM 296 O3' DA B 110 6.609 3.183 -14.602 1.00 0.00 O ATOM 297 C2' DA B 110 4.248 3.525 -14.269 1.00 0.00 C ATOM 298 C1' DA B 110 3.949 3.981 -12.853 1.00 0.00 C ATOM 299 N9 DA B 110 2.540 4.425 -12.713 1.00 0.00 N ATOM 300 C8 DA B 110 1.831 5.302 -13.481 1.00 0.00 C ATOM 301 N7 DA B 110 0.605 5.507 -13.098 1.00 0.00 N ATOM 302 C5 DA B 110 0.482 4.693 -11.974 1.00 0.00 C ATOM 303 C6 DA B 110 -0.577 4.449 -11.087 1.00 0.00 C ATOM 304 N6 DA B 110 -1.770 5.036 -11.195 1.00 0.00 N ATOM 305 N1 DA B 110 -0.359 3.587 -10.080 1.00 0.00 N ATOM 306 C2 DA B 110 0.829 2.999 -9.947 1.00 0.00 C ATOM 307 N3 DA B 110 1.898 3.158 -10.727 1.00 0.00 N ATOM 308 C4 DA B 110 1.653 4.029 -11.730 1.00 0.00 C ATOM 0 H5' DA B 110 5.825 7.372 -13.399 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.566 6.815 -14.885 1.00 0.00 H new ATOM 0 H4' DA B 110 6.869 5.130 -13.260 1.00 0.00 H new ATOM 0 H3' DA B 110 5.505 4.546 -15.671 1.00 0.00 H new ATOM 0 H2' DA B 110 3.455 3.834 -14.950 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.307 2.438 -14.321 1.00 0.00 H new ATOM 0 H1' DA B 110 4.078 3.156 -12.153 1.00 0.00 H new ATOM 0 H8 DA B 110 2.257 5.791 -14.345 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.506 4.823 -10.522 1.00 0.00 H new ATOM 0 H62 DA B 110 -1.946 5.698 -11.951 1.00 0.00 H new ATOM 0 H2 DA B 110 0.938 2.318 -9.115 1.00 0.00 H new ATOM 320 P DA B 111 6.640 1.889 -15.554 1.00 0.00 P ATOM 321 OP1 DA B 111 8.047 1.570 -15.881 1.00 0.00 O ATOM 322 OP2 DA B 111 5.645 2.070 -16.631 1.00 0.00 O ATOM 323 O5' DA B 111 6.086 0.767 -14.542 1.00 0.00 O ATOM 324 C5' DA B 111 6.795 0.505 -13.326 1.00 0.00 C ATOM 325 C4' DA B 111 6.121 -0.582 -12.488 1.00 0.00 C ATOM 326 O4' DA B 111 4.845 -0.100 -11.997 1.00 0.00 O ATOM 327 C3' DA B 111 5.868 -1.854 -13.306 1.00 0.00 C ATOM 328 O3' DA B 111 6.436 -2.979 -12.643 1.00 0.00 O ATOM 329 C2' DA B 111 4.367 -2.007 -13.374 1.00 0.00 C ATOM 330 C1' DA B 111 3.777 -0.978 -12.416 1.00 0.00 C ATOM 331 N9 DA B 111 2.683 -0.223 -13.066 1.00 0.00 N ATOM 332 C8 DA B 111 2.680 0.425 -14.262 1.00 0.00 C ATOM 333 N7 DA B 111 1.552 0.977 -14.592 1.00 0.00 N ATOM 334 C5 DA B 111 0.727 0.664 -13.516 1.00 0.00 C ATOM 335 C6 DA B 111 -0.614 0.947 -13.235 1.00 0.00 C ATOM 336 N6 DA B 111 -1.405 1.629 -14.063 1.00 0.00 N ATOM 337 N1 DA B 111 -1.114 0.482 -12.080 1.00 0.00 N ATOM 338 C2 DA B 111 -0.346 -0.220 -11.251 1.00 0.00 C ATOM 339 N3 DA B 111 0.930 -0.542 -11.419 1.00 0.00 N ATOM 340 C4 DA B 111 1.407 -0.064 -12.583 1.00 0.00 C ATOM 0 H5' DA B 111 6.862 1.423 -12.742 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.815 0.201 -13.560 1.00 0.00 H new ATOM 0 H4' DA B 111 6.792 -0.820 -11.663 1.00 0.00 H new ATOM 0 H3' DA B 111 6.315 -1.790 -14.298 1.00 0.00 H new ATOM 0 H2' DA B 111 4.007 -1.841 -14.389 1.00 0.00 H new ATOM 0 H2'' DA B 111 4.068 -3.016 -13.090 1.00 0.00 H new ATOM 0 H1' DA B 111 3.345 -1.473 -11.547 1.00 0.00 H new ATOM 0 H8 DA B 111 3.555 0.477 -14.893 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.376 1.808 -13.809 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.039 1.972 -14.951 1.00 0.00 H new ATOM 0 H2 DA B 111 -0.813 -0.566 -10.341 1.00 0.00 H new ATOM 352 P DA B 112 6.356 -4.458 -13.274 1.00 0.00 P ATOM 353 OP1 DA B 112 7.471 -5.257 -12.718 1.00 0.00 O ATOM 354 OP2 DA B 112 6.201 -4.330 -14.739 1.00 0.00 O ATOM 355 O5' DA B 112 4.979 -5.022 -12.662 1.00 0.00 O ATOM 356 C5' DA B 112 4.839 -5.114 -11.249 1.00 0.00 C ATOM 357 C4' DA B 112 3.476 -5.666 -10.816 1.00 0.00 C ATOM 358 O4' DA B 112 2.437 -4.700 -11.117 1.00 0.00 O ATOM 359 C3' DA B 112 3.111 -6.972 -11.531 1.00 0.00 C ATOM 360 O3' DA B 112 2.741 -7.950 -10.553 1.00 0.00 O ATOM 361 C2' DA B 112 1.947 -6.646 -12.422 1.00 0.00 C ATOM 362 C1' DA B 112 1.423 -5.292 -11.966 1.00 0.00 C ATOM 363 N9 DA B 112 1.105 -4.423 -13.119 1.00 0.00 N ATOM 364 C8 DA B 112 1.847 -4.142 -14.233 1.00 0.00 C ATOM 365 N7 DA B 112 1.274 -3.356 -15.093 1.00 0.00 N ATOM 366 C5 DA B 112 0.041 -3.090 -14.503 1.00 0.00 C ATOM 367 C6 DA B 112 -1.054 -2.317 -14.902 1.00 0.00 C ATOM 368 N6 DA B 112 -1.081 -1.623 -16.039 1.00 0.00 N ATOM 369 N1 DA B 112 -2.114 -2.276 -14.079 1.00 0.00 N ATOM 370 C2 DA B 112 -2.098 -2.954 -12.932 1.00 0.00 C ATOM 371 N3 DA B 112 -1.117 -3.711 -12.459 1.00 0.00 N ATOM 372 C4 DA B 112 -0.069 -3.735 -13.303 1.00 0.00 C ATOM 0 H5' DA B 112 4.981 -4.126 -10.810 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.627 -5.755 -10.852 1.00 0.00 H new ATOM 0 H4' DA B 112 3.549 -5.861 -9.746 1.00 0.00 H new ATOM 0 H3' DA B 112 3.941 -7.375 -12.111 1.00 0.00 H new ATOM 0 H2' DA B 112 2.256 -6.611 -13.467 1.00 0.00 H new ATOM 0 H2'' DA B 112 1.172 -7.409 -12.344 1.00 0.00 H new ATOM 0 H1' DA B 112 0.492 -5.412 -11.412 1.00 0.00 H new ATOM 0 H8 DA B 112 2.837 -4.545 -14.386 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.906 -1.075 -16.282 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.277 -1.640 -16.666 1.00 0.00 H new ATOM 0 H2 DA B 112 -2.984 -2.879 -12.318 1.00 0.00 H new ATOM 384 P DC B 113 2.290 -9.448 -10.944 1.00 0.00 P ATOM 385 OP1 DC B 113 2.785 -10.365 -9.890 1.00 0.00 O ATOM 386 OP2 DC B 113 2.673 -9.680 -12.353 1.00 0.00 O ATOM 387 O5' DC B 113 0.673 -9.419 -10.864 1.00 0.00 O ATOM 388 C5' DC B 113 0.048 -9.089 -9.614 1.00 0.00 C ATOM 389 C4' DC B 113 -1.492 -9.115 -9.652 1.00 0.00 C ATOM 390 O4' DC B 113 -2.017 -8.032 -10.463 1.00 0.00 O ATOM 391 C3' DC B 113 -2.050 -10.418 -10.232 1.00 0.00 C ATOM 392 O3' DC B 113 -3.116 -10.872 -9.389 1.00 0.00 O ATOM 393 C2' DC B 113 -2.589 -10.064 -11.582 1.00 0.00 C ATOM 394 C1' DC B 113 -2.818 -8.562 -11.545 1.00 0.00 C ATOM 395 N1 DC B 113 -2.464 -7.888 -12.821 1.00 0.00 N ATOM 396 C2 DC B 113 -3.422 -7.078 -13.429 1.00 0.00 C ATOM 397 O2 DC B 113 -4.563 -7.024 -12.976 1.00 0.00 O ATOM 398 N3 DC B 113 -3.059 -6.359 -14.523 1.00 0.00 N ATOM 399 C4 DC B 113 -1.812 -6.421 -15.003 1.00 0.00 C ATOM 400 N4 DC B 113 -1.484 -5.681 -16.060 1.00 0.00 N ATOM 401 C5 DC B 113 -0.826 -7.254 -14.386 1.00 0.00 C ATOM 402 C6 DC B 113 -1.202 -7.969 -13.308 1.00 0.00 C ATOM 0 H5' DC B 113 0.376 -8.096 -9.308 1.00 0.00 H new ATOM 0 H5'' DC B 113 0.393 -9.788 -8.852 1.00 0.00 H new ATOM 0 H4' DC B 113 -1.803 -9.015 -8.612 1.00 0.00 H new ATOM 0 H3' DC B 113 -1.296 -11.203 -10.298 1.00 0.00 H new ATOM 0 H2' DC B 113 -1.885 -10.335 -12.369 1.00 0.00 H new ATOM 0 H2'' DC B 113 -3.517 -10.598 -11.787 1.00 0.00 H new ATOM 0 H1' DC B 113 -3.880 -8.372 -11.393 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.536 -5.720 -16.435 1.00 0.00 H new ATOM 0 H42 DC B 113 -2.180 -5.076 -16.495 1.00 0.00 H new ATOM 0 H5 DC B 113 0.182 -7.308 -14.770 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.486 -8.617 -12.824 1.00 0.00 H new ATOM 414 P DA B 114 -3.958 -12.222 -9.670 1.00 0.00 P ATOM 415 OP1 DA B 114 -4.318 -12.825 -8.369 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.222 -13.020 -10.676 1.00 0.00 O ATOM 417 O5' DA B 114 -5.309 -11.660 -10.364 1.00 0.00 O ATOM 418 C5' DA B 114 -6.150 -10.745 -9.643 1.00 0.00 C ATOM 419 C4' DA B 114 -7.397 -10.308 -10.437 1.00 0.00 C ATOM 420 O4' DA B 114 -7.014 -9.503 -11.587 1.00 0.00 O ATOM 421 C3' DA B 114 -8.194 -11.508 -10.955 1.00 0.00 C ATOM 422 O3' DA B 114 -9.577 -11.333 -10.632 1.00 0.00 O ATOM 423 C2' DA B 114 -8.012 -11.502 -12.452 1.00 0.00 C ATOM 424 C1' DA B 114 -7.442 -10.140 -12.817 1.00 0.00 C ATOM 425 N9 DA B 114 -6.327 -10.262 -13.770 1.00 0.00 N ATOM 426 C8 DA B 114 -5.217 -11.018 -13.662 1.00 0.00 C ATOM 427 N7 DA B 114 -4.357 -10.895 -14.628 1.00 0.00 N ATOM 428 C5 DA B 114 -4.966 -9.964 -15.468 1.00 0.00 C ATOM 429 C6 DA B 114 -4.583 -9.391 -16.687 1.00 0.00 C ATOM 430 N6 DA B 114 -3.435 -9.680 -17.300 1.00 0.00 N ATOM 431 N1 DA B 114 -5.428 -8.507 -17.249 1.00 0.00 N ATOM 432 C2 DA B 114 -6.580 -8.206 -16.649 1.00 0.00 C ATOM 433 N3 DA B 114 -7.035 -8.689 -15.494 1.00 0.00 N ATOM 434 C4 DA B 114 -6.169 -9.572 -14.954 1.00 0.00 C ATOM 0 H5' DA B 114 -5.570 -9.862 -9.377 1.00 0.00 H new ATOM 0 H5'' DA B 114 -6.467 -11.212 -8.710 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.015 -9.732 -9.749 1.00 0.00 H new ATOM 0 H3' DA B 114 -7.859 -12.446 -10.513 1.00 0.00 H new ATOM 0 H2' DA B 114 -7.338 -12.300 -12.763 1.00 0.00 H new ATOM 0 H2'' DA B 114 -8.962 -11.672 -12.958 1.00 0.00 H new ATOM 0 H1' DA B 114 -8.202 -9.535 -13.311 1.00 0.00 H new ATOM 0 H8 DA B 114 -5.053 -11.683 -12.827 1.00 0.00 H new ATOM 0 H61 DA B 114 -3.204 -9.234 -18.188 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.787 -10.348 -16.881 1.00 0.00 H new ATOM 0 H2 DA B 114 -7.214 -7.492 -17.155 1.00 0.00 H new ATOM 446 P DT B 115 -10.682 -12.428 -11.045 1.00 0.00 P ATOM 447 OP1 DT B 115 -11.831 -12.293 -10.118 1.00 0.00 O ATOM 448 OP2 DT B 115 -10.006 -13.735 -11.195 1.00 0.00 O ATOM 449 O5' DT B 115 -11.154 -11.927 -12.501 1.00 0.00 O ATOM 450 C5' DT B 115 -11.753 -10.639 -12.644 1.00 0.00 C ATOM 451 C4' DT B 115 -12.012 -10.272 -14.106 1.00 0.00 C ATOM 452 O4' DT B 115 -10.765 -10.012 -14.792 1.00 0.00 O ATOM 453 C3' DT B 115 -12.747 -11.381 -14.869 1.00 0.00 C ATOM 454 O3' DT B 115 -14.039 -10.926 -15.269 1.00 0.00 O ATOM 455 C2' DT B 115 -11.908 -11.656 -16.099 1.00 0.00 C ATOM 456 C1' DT B 115 -10.789 -10.616 -16.100 1.00 0.00 C ATOM 457 N1 DT B 115 -9.471 -11.226 -16.437 1.00 0.00 N ATOM 458 C2 DT B 115 -8.782 -10.731 -17.534 1.00 0.00 C ATOM 459 O2 DT B 115 -9.225 -9.813 -18.222 1.00 0.00 O ATOM 460 N3 DT B 115 -7.568 -11.327 -17.810 1.00 0.00 N ATOM 461 C4 DT B 115 -6.986 -12.361 -17.102 1.00 0.00 C ATOM 462 O4 DT B 115 -5.896 -12.817 -17.445 1.00 0.00 O ATOM 463 C5 DT B 115 -7.770 -12.816 -15.974 1.00 0.00 C ATOM 464 C7 DT B 115 -7.245 -13.969 -15.117 1.00 0.00 C ATOM 465 C6 DT B 115 -8.962 -12.244 -15.684 1.00 0.00 C ATOM 0 H5' DT B 115 -11.104 -9.888 -12.194 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.694 -10.617 -12.095 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.640 -9.381 -14.088 1.00 0.00 H new ATOM 0 H3' DT B 115 -12.879 -12.271 -14.253 1.00 0.00 H new ATOM 0 H2' DT B 115 -11.499 -12.666 -16.072 1.00 0.00 H new ATOM 0 H2'' DT B 115 -12.510 -11.580 -17.005 1.00 0.00 H new ATOM 0 H1' DT B 115 -10.978 -9.863 -16.866 1.00 0.00 H new ATOM 0 H3 DT B 115 -7.051 -10.970 -18.614 1.00 0.00 H new ATOM 0 H71 DT B 115 -6.639 -14.634 -15.733 1.00 0.00 H new ATOM 0 H72 DT B 115 -6.636 -13.571 -14.305 1.00 0.00 H new ATOM 0 H73 DT B 115 -8.085 -14.525 -14.701 1.00 0.00 H new ATOM 0 H6 DT B 115 -9.525 -12.602 -14.835 1.00 0.00 H new ATOM 478 P DT B 116 -15.085 -11.916 -15.980 1.00 0.00 P ATOM 479 OP1 DT B 116 -16.442 -11.365 -15.780 1.00 0.00 O ATOM 480 OP2 DT B 116 -14.780 -13.303 -15.564 1.00 0.00 O ATOM 481 O5' DT B 116 -14.706 -11.757 -17.535 1.00 0.00 O ATOM 482 C5' DT B 116 -14.895 -10.513 -18.211 1.00 0.00 C ATOM 483 C4' DT B 116 -14.359 -10.564 -19.644 1.00 0.00 C ATOM 484 O4' DT B 116 -12.932 -10.810 -19.636 1.00 0.00 O ATOM 485 C3' DT B 116 -15.027 -11.669 -20.476 1.00 0.00 C ATOM 486 O3' DT B 116 -15.785 -11.109 -21.552 1.00 0.00 O ATOM 487 C2' DT B 116 -13.894 -12.511 -21.023 1.00 0.00 C ATOM 488 C1' DT B 116 -12.596 -11.842 -20.586 1.00 0.00 C ATOM 489 N1 DT B 116 -11.662 -12.837 -19.995 1.00 0.00 N ATOM 490 C2 DT B 116 -10.435 -13.030 -20.613 1.00 0.00 C ATOM 491 O2 DT B 116 -10.124 -12.435 -21.641 1.00 0.00 O ATOM 492 N3 DT B 116 -9.583 -13.929 -20.009 1.00 0.00 N ATOM 493 C4 DT B 116 -9.838 -14.650 -18.860 1.00 0.00 C ATOM 494 O4 DT B 116 -8.993 -15.420 -18.409 1.00 0.00 O ATOM 495 C5 DT B 116 -11.142 -14.397 -18.284 1.00 0.00 C ATOM 496 C7 DT B 116 -11.572 -15.179 -17.039 1.00 0.00 C ATOM 497 C6 DT B 116 -11.993 -13.511 -18.857 1.00 0.00 C ATOM 0 H5' DT B 116 -14.390 -9.719 -17.661 1.00 0.00 H new ATOM 0 H5'' DT B 116 -15.956 -10.265 -18.227 1.00 0.00 H new ATOM 0 H4' DT B 116 -14.585 -9.598 -20.095 1.00 0.00 H new ATOM 0 H3' DT B 116 -15.718 -12.256 -19.871 1.00 0.00 H new ATOM 0 H2' DT B 116 -13.951 -13.530 -20.641 1.00 0.00 H new ATOM 0 H2'' DT B 116 -13.949 -12.574 -22.110 1.00 0.00 H new ATOM 0 HO3' DT B 116 -16.200 -11.830 -22.070 1.00 0.00 H new ATOM 0 H1' DT B 116 -12.087 -11.404 -21.444 1.00 0.00 H new ATOM 0 H3 DT B 116 -8.677 -14.076 -20.454 1.00 0.00 H new ATOM 0 H71 DT B 116 -12.249 -14.569 -16.442 1.00 0.00 H new ATOM 0 H72 DT B 116 -12.080 -16.095 -17.342 1.00 0.00 H new ATOM 0 H73 DT B 116 -10.693 -15.431 -16.446 1.00 0.00 H new ATOM 0 H6 DT B 116 -12.956 -13.335 -18.401 1.00 0.00 H new TER 511 DT B 116 ATOM 512 O5' DA C 117 -1.215 -15.730 -24.670 1.00 0.00 O ATOM 513 C5' DA C 117 -1.441 -15.716 -26.082 1.00 0.00 C ATOM 514 C4' DA C 117 -2.154 -14.435 -26.529 1.00 0.00 C ATOM 515 O4' DA C 117 -3.521 -14.439 -26.060 1.00 0.00 O ATOM 516 C3' DA C 117 -1.476 -13.173 -25.985 1.00 0.00 C ATOM 517 O3' DA C 117 -1.314 -12.220 -27.041 1.00 0.00 O ATOM 518 C2' DA C 117 -2.410 -12.639 -24.924 1.00 0.00 C ATOM 519 C1' DA C 117 -3.699 -13.446 -25.030 1.00 0.00 C ATOM 520 N9 DA C 117 -4.027 -14.089 -23.752 1.00 0.00 N ATOM 521 C8 DA C 117 -3.275 -14.954 -23.030 1.00 0.00 C ATOM 522 N7 DA C 117 -3.834 -15.405 -21.949 1.00 0.00 N ATOM 523 C5 DA C 117 -5.079 -14.776 -21.958 1.00 0.00 C ATOM 524 C6 DA C 117 -6.170 -14.816 -21.084 1.00 0.00 C ATOM 525 N6 DA C 117 -6.175 -15.527 -19.955 1.00 0.00 N ATOM 526 N1 DA C 117 -7.244 -14.068 -21.402 1.00 0.00 N ATOM 527 C2 DA C 117 -7.241 -13.322 -22.508 1.00 0.00 C ATOM 528 N3 DA C 117 -6.260 -13.209 -23.395 1.00 0.00 N ATOM 529 C4 DA C 117 -5.203 -13.973 -23.055 1.00 0.00 C ATOM 0 H5' DA C 117 -2.039 -16.583 -26.363 1.00 0.00 H new ATOM 0 H5'' DA C 117 -0.488 -15.803 -26.604 1.00 0.00 H new ATOM 0 H4' DA C 117 -2.111 -14.418 -27.618 1.00 0.00 H new ATOM 0 H3' DA C 117 -0.486 -13.377 -25.577 1.00 0.00 H new ATOM 0 H2' DA C 117 -1.969 -12.742 -23.933 1.00 0.00 H new ATOM 0 H2'' DA C 117 -2.604 -11.577 -25.078 1.00 0.00 H new ATOM 0 HO5' DA C 117 -2.045 -15.971 -24.208 1.00 0.00 H new ATOM 0 H1' DA C 117 -4.527 -12.783 -25.281 1.00 0.00 H new ATOM 0 H8 DA C 117 -2.281 -15.248 -23.333 1.00 0.00 H new ATOM 0 H61 DA C 117 -6.998 -15.521 -19.352 1.00 0.00 H new ATOM 0 H62 DA C 117 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N6 DA C 118 -3.743 -11.341 -19.326 1.00 0.00 N ATOM 559 N1 DA C 118 -5.718 -10.253 -19.850 1.00 0.00 N ATOM 560 C2 DA C 118 -6.467 -9.548 -20.702 1.00 0.00 C ATOM 561 N3 DA C 118 -6.116 -9.116 -21.906 1.00 0.00 N ATOM 562 C4 DA C 118 -4.851 -9.478 -22.210 1.00 0.00 C ATOM 0 H5' DA C 118 -3.351 -10.662 -27.628 1.00 0.00 H new ATOM 0 H5'' DA C 118 -2.541 -9.254 -28.287 1.00 0.00 H new ATOM 0 H4' DA C 118 -4.769 -8.663 -27.685 1.00 0.00 H new ATOM 0 H3' DA C 118 -2.525 -7.276 -26.587 1.00 0.00 H new ATOM 0 H2' DA C 118 -2.990 -7.260 -24.345 1.00 0.00 H new ATOM 0 H2'' DA C 118 -4.460 -6.384 -24.724 1.00 0.00 H new ATOM 0 H1' DA C 118 -5.746 -8.220 -24.311 1.00 0.00 H new ATOM 0 H8 DA C 118 -2.188 -9.677 -23.977 1.00 0.00 H new ATOM 0 H61 DA C 118 -4.140 -11.611 -18.426 1.00 0.00 H new ATOM 0 H62 DA C 118 -2.799 -11.635 -19.576 1.00 0.00 H new ATOM 0 H2 DA C 118 -7.467 -9.303 -20.375 1.00 0.00 H new ATOM 574 P DT C 119 -4.009 -4.827 -26.894 1.00 0.00 P ATOM 575 OP1 DT C 119 -4.402 -4.093 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611 C4' DG C 120 -10.584 -2.456 -20.299 1.00 0.00 C ATOM 612 O4' DG C 120 -9.558 -3.313 -19.723 1.00 0.00 O ATOM 613 C3' DG C 120 -10.610 -1.160 -19.479 1.00 0.00 C ATOM 614 O3' DG C 120 -11.798 -1.104 -18.698 1.00 0.00 O ATOM 615 C2' DG C 120 -9.427 -1.239 -18.556 1.00 0.00 C ATOM 616 C1' DG C 120 -9.012 -2.698 -18.532 1.00 0.00 C ATOM 617 N9 DG C 120 -7.544 -2.840 -18.455 1.00 0.00 N ATOM 618 C8 DG C 120 -6.594 -2.270 -19.240 1.00 0.00 C ATOM 619 N7 DG C 120 -5.368 -2.561 -18.933 1.00 0.00 N ATOM 620 C5 DG C 120 -5.507 -3.406 -17.838 1.00 0.00 C ATOM 621 C6 DG C 120 -4.509 -4.048 -17.060 1.00 0.00 C ATOM 622 O6 DG C 120 -3.291 -4.000 -17.199 1.00 0.00 O ATOM 623 N1 DG C 120 -5.065 -4.811 -16.045 1.00 0.00 N ATOM 624 C2 DG C 120 -6.416 -4.946 -15.804 1.00 0.00 C ATOM 625 N2 DG C 120 -6.754 -5.732 -14.781 1.00 0.00 N ATOM 626 N3 DG C 120 -7.364 -4.340 -16.535 1.00 0.00 N ATOM 627 C4 DG C 120 -6.838 -3.587 -17.534 1.00 0.00 C ATOM 0 H5' DG C 120 -10.156 -3.150 -22.293 1.00 0.00 H new ATOM 0 H5'' DG C 120 -11.175 -1.725 -22.237 1.00 0.00 H new ATOM 0 H4' DG C 120 -11.563 -2.934 -20.256 1.00 0.00 H new ATOM 0 H3' DG C 120 -10.579 -0.281 -20.123 1.00 0.00 H new ATOM 0 H2' DG C 120 -8.612 -0.607 -18.911 1.00 0.00 H new ATOM 0 H2'' DG C 120 -9.688 -0.891 -17.557 1.00 0.00 H new ATOM 0 H1' DG C 120 -9.400 -3.196 -17.643 1.00 0.00 H new ATOM 0 H8 DG C 120 -6.843 -1.618 -20.064 1.00 0.00 H new ATOM 0 H1 DG C 120 -4.425 -5.312 -15.428 1.00 0.00 H new ATOM 0 H21 DG C 120 -7.737 -5.874 -14.550 1.00 0.00 H new ATOM 0 H22 DG C 120 -6.029 -6.191 -14.230 1.00 0.00 H new ATOM 639 P DT C 121 -12.101 0.144 -17.734 1.00 0.00 P ATOM 640 OP1 DT C 121 -13.559 0.228 -17.509 1.00 0.00 O ATOM 641 OP2 DT C 121 -11.354 1.317 -18.241 1.00 0.00 O ATOM 642 O5' DT C 121 -11.400 -0.354 -16.371 1.00 0.00 O ATOM 643 C5' DT C 121 -11.854 -1.557 -15.752 1.00 0.00 C ATOM 644 C4' DT C 121 -10.989 -1.962 -14.553 1.00 0.00 C ATOM 645 O4' DT C 121 -9.678 -2.426 -14.965 1.00 0.00 O ATOM 646 C3' DT C 121 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H2'' DT C 121 -9.081 -0.773 -12.246 1.00 0.00 H new ATOM 0 H1' DT C 121 -8.460 -2.742 -13.290 1.00 0.00 H new ATOM 0 H3 DT C 121 -4.241 -2.576 -14.589 1.00 0.00 H new ATOM 0 H71 DT C 121 -7.020 0.484 -18.041 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.845 1.468 -17.136 1.00 0.00 H new ATOM 0 H73 DT C 121 -5.277 0.175 -18.219 1.00 0.00 H new ATOM 0 H6 DT C 121 -8.182 -0.247 -16.056 1.00 0.00 H new ATOM 671 P DT C 122 -11.554 0.114 -11.231 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.790 -0.084 -10.439 1.00 0.00 O ATOM 673 OP2 DT C 122 -11.298 1.419 -11.883 1.00 0.00 O ATOM 674 O5' DT C 122 -10.300 -0.233 -10.286 1.00 0.00 O ATOM 675 C5' DT C 122 -10.255 -1.495 -9.625 1.00 0.00 C ATOM 676 C4' DT C 122 -9.000 -1.662 -8.771 1.00 0.00 C ATOM 677 O4' DT C 122 -7.819 -1.814 -9.598 1.00 0.00 O ATOM 678 C3' DT C 122 -8.771 -0.461 -7.839 1.00 0.00 C ATOM 679 O3' DT C 122 -8.868 -0.886 -6.480 1.00 0.00 O ATOM 680 C2' DT C 122 -7.377 0.035 -8.139 1.00 0.00 C ATOM 681 C1' DT C 122 -6.755 -0.980 -9.089 1.00 0.00 C ATOM 682 N1 DT C 122 -6.018 -0.300 -10.189 1.00 0.00 N ATOM 683 C2 DT C 122 -4.652 -0.530 -10.301 1.00 0.00 C ATOM 684 O2 DT C 122 -4.053 -1.289 -9.543 1.00 0.00 O ATOM 685 N3 DT C 122 -4.002 0.147 -11.314 1.00 0.00 N ATOM 686 C4 DT C 122 -4.585 1.017 -12.216 1.00 0.00 C ATOM 687 O4 DT C 122 -3.910 1.575 -13.075 1.00 0.00 O ATOM 688 C5 DT C 122 -6.006 1.193 -12.033 1.00 0.00 C ATOM 689 C7 DT C 122 -6.759 2.154 -12.956 1.00 0.00 C ATOM 690 C6 DT C 122 -6.669 0.544 -11.051 1.00 0.00 C ATOM 0 H5' DT C 122 -10.294 -2.292 -10.367 1.00 0.00 H new ATOM 0 H5'' DT C 122 -11.137 -1.603 -8.994 1.00 0.00 H new ATOM 0 H4' DT C 122 -9.162 -2.559 -8.173 1.00 0.00 H new ATOM 0 H3' DT C 122 -9.511 0.325 -7.993 1.00 0.00 H new ATOM 0 H2' DT C 122 -7.407 1.025 -8.594 1.00 0.00 H new ATOM 0 H2'' DT C 122 -6.790 0.121 -7.224 1.00 0.00 H new ATOM 0 H1' DT C 122 -6.024 -1.594 -8.563 1.00 0.00 H new ATOM 0 H3 DT C 122 -2.998 -0.010 -11.405 1.00 0.00 H new ATOM 0 H71 DT C 122 -6.089 2.953 -13.274 1.00 0.00 H new ATOM 0 H72 DT C 122 -7.118 1.612 -13.831 1.00 0.00 H new ATOM 0 H73 DT C 122 -7.607 2.582 -12.422 1.00 0.00 H new ATOM 0 H6 DT C 122 -7.733 0.693 -10.943 1.00 0.00 H new ATOM 703 P DT C 123 -8.679 0.132 -5.246 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.437 -0.396 -4.088 1.00 0.00 O ATOM 705 OP2 DT C 123 -8.938 1.506 -5.730 1.00 0.00 O ATOM 706 O5' DT C 123 -7.103 0.005 -4.924 1.00 0.00 O ATOM 707 C5' DT C 123 -6.562 -1.266 -4.556 1.00 0.00 C ATOM 708 C4' DT C 123 -5.057 -1.223 -4.283 1.00 0.00 C ATOM 709 O4' DT C 123 -4.328 -0.802 -5.462 1.00 0.00 O ATOM 710 C3' DT C 123 -4.696 -0.260 -3.152 1.00 0.00 C ATOM 711 O3' DT C 123 -3.941 -0.974 -2.164 1.00 0.00 O ATOM 712 C2' DT C 123 -3.882 0.831 -3.784 1.00 0.00 C ATOM 713 C1' DT C 123 -3.451 0.303 -5.138 1.00 0.00 C ATOM 714 N1 DT C 123 -3.499 1.353 -6.202 1.00 0.00 N ATOM 715 C2 DT C 123 -2.318 1.651 -6.872 1.00 0.00 C ATOM 716 O2 DT C 123 -1.259 1.097 -6.593 1.00 0.00 O ATOM 717 N3 DT C 123 -2.401 2.595 -7.878 1.00 0.00 N ATOM 718 C4 DT C 123 -3.543 3.264 -8.275 1.00 0.00 C ATOM 719 O4 DT C 123 -3.498 4.088 -9.185 1.00 0.00 O ATOM 720 C5 DT C 123 -4.730 2.898 -7.531 1.00 0.00 C ATOM 721 C7 DT C 123 -6.065 3.549 -7.907 1.00 0.00 C ATOM 722 C6 DT C 123 -4.677 1.975 -6.536 1.00 0.00 C ATOM 0 H5' DT C 123 -6.760 -1.983 -5.353 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.076 -1.629 -3.666 1.00 0.00 H new ATOM 0 H4' DT C 123 -4.779 -2.237 -3.996 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.571 0.161 -2.656 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.469 1.743 -3.890 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.017 1.078 -3.169 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.411 -0.021 -5.091 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.538 2.819 -8.374 1.00 0.00 H new ATOM 0 H71 DT C 123 -5.884 4.548 -8.304 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.565 2.943 -8.662 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.697 3.620 -7.022 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.579 1.725 -5.997 1.00 0.00 H new ATOM 735 P DA C 124 -3.379 -0.286 -0.817 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.450 -1.278 0.279 1.00 0.00 O ATOM 737 OP2 DA C 124 -4.053 1.025 -0.664 1.00 0.00 O ATOM 738 O5' DA C 124 -1.819 -0.004 -1.143 1.00 0.00 O ATOM 739 C5' DA C 124 -0.958 -1.106 -1.462 1.00 0.00 C ATOM 740 C4' DA C 124 0.502 -0.695 -1.731 1.00 0.00 C ATOM 741 O4' DA C 124 0.579 0.111 -2.934 1.00 0.00 O ATOM 742 C3' DA C 124 1.092 0.140 -0.591 1.00 0.00 C ATOM 743 O3' DA C 124 2.414 -0.318 -0.287 1.00 0.00 O ATOM 744 C2' DA C 124 1.140 1.554 -1.112 1.00 0.00 C ATOM 745 C1' DA C 124 1.058 1.446 -2.630 1.00 0.00 C ATOM 746 N9 DA C 124 0.168 2.464 -3.210 1.00 0.00 N ATOM 747 C8 DA C 124 -1.098 2.778 -2.857 1.00 0.00 C ATOM 748 N7 DA C 124 -1.662 3.707 -3.561 1.00 0.00 N ATOM 749 C5 DA C 124 -0.669 4.047 -4.475 1.00 0.00 C ATOM 750 C6 DA C 124 -0.627 4.973 -5.518 1.00 0.00 C ATOM 751 N6 DA C 124 -1.663 5.746 -5.837 1.00 0.00 N ATOM 752 N1 DA C 124 0.512 5.060 -6.228 1.00 0.00 N ATOM 753 C2 DA C 124 1.549 4.273 -5.929 1.00 0.00 C ATOM 754 N3 DA C 124 1.610 3.359 -4.961 1.00 0.00 N ATOM 755 C4 DA C 124 0.454 3.300 -4.268 1.00 0.00 C ATOM 0 H5' DA C 124 -1.349 -1.619 -2.341 1.00 0.00 H new ATOM 0 H5'' DA C 124 -0.979 -1.821 -0.640 1.00 0.00 H new ATOM 0 H4' DA C 124 1.068 -1.621 -1.830 1.00 0.00 H new ATOM 0 H3' DA C 124 0.500 0.064 0.321 1.00 0.00 H new ATOM 0 H2' DA C 124 0.312 2.143 -0.718 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.060 2.052 -0.805 1.00 0.00 H new ATOM 0 H1' DA C 124 2.041 1.622 -3.067 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.606 2.286 -2.041 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.586 6.409 -6.608 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.534 5.675 -5.310 1.00 0.00 H new ATOM 0 H2 DA C 124 2.434 4.390 -6.537 1.00 0.00 H new ATOM 767 P DT C 125 3.294 0.374 0.873 1.00 0.00 P ATOM 768 OP1 DT C 125 4.252 -0.629 1.389 1.00 0.00 O ATOM 769 OP2 DT C 125 2.373 1.065 1.802 1.00 0.00 O ATOM 770 O5' DT C 125 4.116 1.491 0.049 1.00 0.00 O ATOM 771 C5' DT C 125 4.983 1.077 -1.011 1.00 0.00 C ATOM 772 C4' DT C 125 5.651 2.254 -1.730 1.00 0.00 C ATOM 773 O4' DT C 125 4.671 2.998 -2.505 1.00 0.00 O ATOM 774 C3' DT C 125 6.317 3.250 -0.763 1.00 0.00 C ATOM 775 O3' DT C 125 7.711 3.396 -1.072 1.00 0.00 O ATOM 776 C2' DT C 125 5.598 4.555 -0.974 1.00 0.00 C ATOM 777 C1' DT C 125 4.880 4.413 -2.301 1.00 0.00 C ATOM 778 N1 DT C 125 3.607 5.195 -2.339 1.00 0.00 N ATOM 779 C2 DT C 125 3.466 6.170 -3.325 1.00 0.00 C ATOM 780 O2 DT C 125 4.334 6.377 -4.172 1.00 0.00 O ATOM 781 N3 DT C 125 2.292 6.894 -3.305 1.00 0.00 N ATOM 782 C4 DT C 125 1.258 6.739 -2.401 1.00 0.00 C ATOM 783 O4 DT C 125 0.265 7.461 -2.442 1.00 0.00 O ATOM 784 C5 DT C 125 1.486 5.710 -1.422 1.00 0.00 C ATOM 785 C7 DT C 125 0.429 5.445 -0.362 1.00 0.00 C ATOM 786 C6 DT C 125 2.618 4.982 -1.417 1.00 0.00 C ATOM 0 H5' DT C 125 4.412 0.493 -1.733 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.753 0.420 -0.608 1.00 0.00 H new ATOM 0 H4' DT C 125 6.417 1.813 -2.368 1.00 0.00 H new ATOM 0 H3' DT C 125 6.253 2.911 0.271 1.00 0.00 H new ATOM 0 H2' DT C 125 4.893 4.750 -0.166 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.298 5.390 -0.994 1.00 0.00 H new ATOM 0 H1' DT C 125 5.478 4.828 -3.112 1.00 0.00 H new ATOM 0 H3 DT C 125 2.176 7.609 -4.023 1.00 0.00 H new ATOM 0 H71 DT C 125 -0.109 6.368 -0.146 1.00 0.00 H new ATOM 0 H72 DT C 125 -0.272 4.694 -0.727 1.00 0.00 H new ATOM 0 H73 DT C 125 0.908 5.083 0.547 1.00 0.00 H new ATOM 0 H6 DT C 125 2.749 4.213 -0.670 1.00 0.00 H new ATOM 799 P DC C 126 8.636 4.471 -0.293 1.00 0.00 P ATOM 800 OP1 DC C 126 10.003 3.925 -0.140 1.00 0.00 O ATOM 801 OP2 DC C 126 7.895 4.937 0.903 1.00 0.00 O ATOM 802 O5' DC C 126 8.682 5.683 -1.368 1.00 0.00 O ATOM 803 C5' DC C 126 9.228 5.440 -2.678 1.00 0.00 C ATOM 804 C4' DC C 126 9.201 6.677 -3.600 1.00 0.00 C ATOM 805 O4' DC C 126 7.841 7.000 -3.980 1.00 0.00 O ATOM 806 C3' DC C 126 9.815 7.910 -2.930 1.00 0.00 C ATOM 807 O3' DC C 126 10.969 8.354 -3.640 1.00 0.00 O ATOM 808 C2' DC C 126 8.744 8.986 -2.994 1.00 0.00 C ATOM 809 C1' DC C 126 7.536 8.390 -3.716 1.00 0.00 C ATOM 810 N1 DC C 126 6.318 8.492 -2.869 1.00 0.00 N ATOM 811 C2 DC C 126 5.204 9.165 -3.369 1.00 0.00 C ATOM 812 O2 DC C 126 5.255 9.731 -4.462 1.00 0.00 O ATOM 813 N3 DC C 126 4.074 9.185 -2.615 1.00 0.00 N ATOM 814 C4 DC C 126 4.032 8.575 -1.422 1.00 0.00 C ATOM 815 N4 DC C 126 2.898 8.579 -0.729 1.00 0.00 N ATOM 816 C5 DC C 126 5.174 7.896 -0.902 1.00 0.00 C ATOM 817 C6 DC C 126 6.286 7.885 -1.654 1.00 0.00 C ATOM 0 H5' DC C 126 8.669 4.633 -3.151 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.257 5.097 -2.575 1.00 0.00 H new ATOM 0 H4' DC C 126 9.793 6.420 -4.478 1.00 0.00 H new ATOM 0 H3' DC C 126 10.124 7.686 -1.909 1.00 0.00 H new ATOM 0 H2' DC C 126 8.468 9.313 -1.991 1.00 0.00 H new ATOM 0 H2'' DC C 126 9.113 9.863 -3.525 1.00 0.00 H new ATOM 0 H1' DC C 126 7.340 8.931 -4.642 1.00 0.00 H new ATOM 0 H41 DC C 126 2.854 8.118 0.180 1.00 0.00 H new ATOM 0 H42 DC C 126 2.072 9.043 -1.106 1.00 0.00 H new ATOM 0 H5 DC C 126 5.145 7.409 0.061 1.00 0.00 H new ATOM 0 H6 DC C 126 7.170 7.385 -1.287 1.00 0.00 H new ATOM 829 P DT C 127 11.925 9.478 -3.000 1.00 0.00 P ATOM 830 OP1 DT C 127 13.199 9.483 -3.758 1.00 0.00 O ATOM 831 OP2 DT C 127 11.945 9.282 -1.534 1.00 0.00 O ATOM 832 O5' DT C 127 11.144 10.852 -3.313 1.00 0.00 O ATOM 833 C5' DT C 127 11.034 11.343 -4.648 1.00 0.00 C ATOM 834 C4' DT C 127 10.247 12.658 -4.706 1.00 0.00 C ATOM 835 O4' DT C 127 8.852 12.416 -4.410 1.00 0.00 O ATOM 836 C3' DT C 127 10.773 13.698 -3.701 1.00 0.00 C ATOM 837 O3' DT C 127 11.315 14.832 -4.391 1.00 0.00 O ATOM 838 C2' DT C 127 9.568 14.121 -2.885 1.00 0.00 C ATOM 839 C1' DT C 127 8.358 13.398 -3.474 1.00 0.00 C ATOM 840 N1 DT C 127 7.539 12.768 -2.395 1.00 0.00 N ATOM 841 C2 DT C 127 6.216 13.169 -2.262 1.00 0.00 C ATOM 842 O2 DT C 127 5.702 13.989 -3.022 1.00 0.00 O ATOM 843 N3 DT C 127 5.504 12.591 -1.231 1.00 0.00 N ATOM 844 C4 DT C 127 5.985 11.662 -0.328 1.00 0.00 C ATOM 845 O4 DT C 127 5.265 11.227 0.566 1.00 0.00 O ATOM 846 C5 DT C 127 7.364 11.297 -0.535 1.00 0.00 C ATOM 847 C7 DT C 127 8.004 10.282 0.417 1.00 0.00 C ATOM 848 C6 DT C 127 8.086 11.846 -1.539 1.00 0.00 C ATOM 0 H5' DT C 127 10.541 10.596 -5.271 1.00 0.00 H new ATOM 0 H5'' DT C 127 12.030 11.497 -5.062 1.00 0.00 H new ATOM 0 H4' DT C 127 10.370 13.051 -5.715 1.00 0.00 H new ATOM 0 H3' DT C 127 11.567 13.286 -3.078 1.00 0.00 H new ATOM 0 H2' DT C 127 9.701 13.859 -1.835 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.432 15.202 -2.929 1.00 0.00 H new ATOM 0 H1' DT C 127 7.703 14.101 -3.988 1.00 0.00 H new ATOM 0 H3 DT C 127 4.530 12.876 -1.125 1.00 0.00 H new ATOM 0 H71 DT C 127 7.537 10.359 1.399 1.00 0.00 H new ATOM 0 H72 DT C 127 7.861 9.275 0.025 1.00 0.00 H new ATOM 0 H73 DT C 127 9.071 10.488 0.505 1.00 0.00 H new ATOM 0 H6 DT C 127 9.117 11.552 -1.670 1.00 0.00 H new ATOM 861 P DG C 128 12.009 16.049 -3.588 1.00 0.00 P ATOM 862 OP1 DG C 128 12.946 16.723 -4.513 1.00 0.00 O ATOM 863 OP2 DG C 128 12.499 15.536 -2.289 1.00 0.00 O ATOM 864 O5' DG C 128 10.784 17.056 -3.303 1.00 0.00 O ATOM 865 C5' DG C 128 10.054 17.617 -4.395 1.00 0.00 C ATOM 866 C4' DG C 128 8.891 18.500 -3.928 1.00 0.00 C ATOM 867 O4' DG C 128 7.854 17.677 -3.349 1.00 0.00 O ATOM 868 C3' DG C 128 9.323 19.533 -2.878 1.00 0.00 C ATOM 869 O3' DG C 128 9.056 20.846 -3.377 1.00 0.00 O ATOM 870 C2' DG C 128 8.487 19.250 -1.650 1.00 0.00 C ATOM 871 C1' DG C 128 7.537 18.111 -2.010 1.00 0.00 C ATOM 872 N9 DG C 128 7.659 16.993 -1.058 1.00 0.00 N ATOM 873 C8 DG C 128 8.780 16.364 -0.626 1.00 0.00 C ATOM 874 N7 DG C 128 8.587 15.409 0.237 1.00 0.00 N ATOM 875 C5 DG C 128 7.202 15.402 0.394 1.00 0.00 C ATOM 876 C6 DG C 128 6.378 14.577 1.209 1.00 0.00 C ATOM 877 O6 DG C 128 6.719 13.681 1.977 1.00 0.00 O ATOM 878 N1 DG C 128 5.036 14.901 1.067 1.00 0.00 N ATOM 879 C2 DG C 128 4.543 15.895 0.248 1.00 0.00 C ATOM 880 N2 DG C 128 3.221 16.062 0.252 1.00 0.00 N ATOM 881 N3 DG C 128 5.313 16.671 -0.519 1.00 0.00 N ATOM 882 C4 DG C 128 6.625 16.372 -0.396 1.00 0.00 C ATOM 0 H5' DG C 128 9.667 16.813 -5.021 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.729 18.207 -5.015 1.00 0.00 H new ATOM 0 H4' DG C 128 8.528 19.032 -4.807 1.00 0.00 H new ATOM 0 H3' DG C 128 10.387 19.472 -2.648 1.00 0.00 H new ATOM 0 H2' DG C 128 9.121 18.972 -0.808 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.929 20.137 -1.350 1.00 0.00 H new ATOM 0 H1' DG C 128 6.506 18.460 -1.959 1.00 0.00 H new ATOM 0 H8 DG C 128 9.765 16.637 -0.974 1.00 0.00 H new ATOM 0 H1 DG C 128 4.362 14.362 1.611 1.00 0.00 H new ATOM 0 H21 DG C 128 2.796 16.781 -0.333 1.00 0.00 H new ATOM 0 H22 DG C 128 2.634 15.470 0.840 1.00 0.00 H new ATOM 894 P DC C 129 9.605 22.161 -2.628 1.00 0.00 P ATOM 895 OP1 DC C 129 9.709 23.247 -3.628 1.00 0.00 O ATOM 896 OP2 DC C 129 10.796 21.772 -1.842 1.00 0.00 O ATOM 897 O5' DC C 129 8.431 22.546 -1.597 1.00 0.00 O ATOM 898 C5' DC C 129 7.120 22.850 -2.078 1.00 0.00 C ATOM 899 C4' DC C 129 6.165 23.193 -0.933 1.00 0.00 C ATOM 900 O4' DC C 129 5.875 22.022 -0.137 1.00 0.00 O ATOM 901 C3' DC C 129 6.766 24.258 -0.008 1.00 0.00 C ATOM 902 O3' DC C 129 5.926 25.414 0.035 1.00 0.00 O ATOM 903 C2' DC C 129 6.822 23.633 1.361 1.00 0.00 C ATOM 904 C1' DC C 129 6.141 22.278 1.264 1.00 0.00 C ATOM 905 N1 DC C 129 6.990 21.195 1.847 1.00 0.00 N ATOM 906 C2 DC C 129 6.469 20.463 2.912 1.00 0.00 C ATOM 907 O2 DC C 129 5.354 20.727 3.351 1.00 0.00 O ATOM 908 N3 DC C 129 7.221 19.462 3.445 1.00 0.00 N ATOM 909 C4 DC C 129 8.435 19.184 2.963 1.00 0.00 C ATOM 910 N4 DC C 129 9.135 18.179 3.494 1.00 0.00 N ATOM 911 C5 DC C 129 8.985 19.933 1.873 1.00 0.00 C ATOM 912 C6 DC C 129 8.234 20.921 1.344 1.00 0.00 C ATOM 0 H5' DC C 129 6.730 21.998 -2.635 1.00 0.00 H new ATOM 0 H5'' DC C 129 7.172 23.688 -2.773 1.00 0.00 H new ATOM 0 H4' DC C 129 5.251 23.574 -1.388 1.00 0.00 H new ATOM 0 H3' DC C 129 7.749 24.572 -0.358 1.00 0.00 H new ATOM 0 H2' DC C 129 7.855 23.522 1.691 1.00 0.00 H new ATOM 0 H2'' DC C 129 6.319 24.265 2.093 1.00 0.00 H new ATOM 0 H1' DC C 129 5.213 22.289 1.836 1.00 0.00 H new ATOM 0 H41 DC C 129 10.063 17.958 3.134 1.00 0.00 H new ATOM 0 H42 DC C 129 8.742 17.632 4.260 1.00 0.00 H new ATOM 0 H5 DC C 129 9.970 19.714 1.487 1.00 0.00 H new ATOM 0 H6 DC C 129 8.617 21.501 0.517 1.00 0.00 H new ATOM 924 P DA C 130 6.357 26.694 0.907 1.00 0.00 P ATOM 925 OP1 DA C 130 5.685 27.884 0.340 1.00 0.00 O ATOM 926 OP2 DA C 130 7.832 26.679 1.051 1.00 0.00 O ATOM 927 O5' DA C 130 5.709 26.392 2.349 1.00 0.00 O ATOM 928 C5' DA C 130 4.298 26.238 2.510 1.00 0.00 C ATOM 929 C4' DA C 130 3.934 25.955 3.972 1.00 0.00 C ATOM 930 O4' DA C 130 4.368 24.629 4.373 1.00 0.00 O ATOM 931 C3' DA C 130 4.595 26.967 4.916 1.00 0.00 C ATOM 932 O3' DA C 130 3.620 27.555 5.781 1.00 0.00 O ATOM 933 C2' DA C 130 5.593 26.174 5.723 1.00 0.00 C ATOM 934 C1' DA C 130 5.240 24.712 5.525 1.00 0.00 C ATOM 935 N9 DA C 130 6.441 23.883 5.345 1.00 0.00 N ATOM 936 C8 DA C 130 7.442 24.035 4.451 1.00 0.00 C ATOM 937 N7 DA C 130 8.369 23.127 4.487 1.00 0.00 N ATOM 938 C5 DA C 130 7.940 22.290 5.512 1.00 0.00 C ATOM 939 C6 DA C 130 8.477 21.126 6.063 1.00 0.00 C ATOM 940 N6 DA C 130 9.615 20.580 5.635 1.00 0.00 N ATOM 941 N1 DA C 130 7.799 20.547 7.069 1.00 0.00 N ATOM 942 C2 DA C 130 6.657 21.083 7.507 1.00 0.00 C ATOM 943 N3 DA C 130 6.060 22.183 7.052 1.00 0.00 N ATOM 944 C4 DA C 130 6.765 22.740 6.044 1.00 0.00 C ATOM 0 H5' DA C 130 3.944 25.422 1.880 1.00 0.00 H new ATOM 0 H5'' DA C 130 3.790 27.142 2.175 1.00 0.00 H new ATOM 0 H4' DA C 130 2.849 26.032 4.041 1.00 0.00 H new ATOM 0 H3' DA C 130 5.069 27.780 4.366 1.00 0.00 H new ATOM 0 H2' DA C 130 6.611 26.376 5.389 1.00 0.00 H new ATOM 0 H2'' DA C 130 5.543 26.446 6.777 1.00 0.00 H new ATOM 0 H1' DA C 130 4.737 24.326 6.412 1.00 0.00 H new ATOM 0 H8 DA C 130 7.469 24.858 3.752 1.00 0.00 H new ATOM 0 H61 DA C 130 9.967 19.727 6.071 1.00 0.00 H new ATOM 0 H62 DA C 130 10.134 21.015 4.872 1.00 0.00 H new ATOM 0 H2 DA C 130 6.164 20.568 8.318 1.00 0.00 H new ATOM 956 P DA C 131 4.048 28.660 6.875 1.00 0.00 P ATOM 957 OP1 DA C 131 2.884 29.541 7.122 1.00 0.00 O ATOM 958 OP2 DA C 131 5.341 29.249 6.457 1.00 0.00 O ATOM 959 O5' DA C 131 4.310 27.778 8.206 1.00 0.00 O ATOM 960 C5' DA C 131 3.234 27.055 8.816 1.00 0.00 C ATOM 961 C4' DA C 131 3.686 26.281 10.064 1.00 0.00 C ATOM 962 O4' DA C 131 4.531 25.164 9.702 1.00 0.00 O ATOM 963 C3' DA C 131 4.472 27.172 11.034 1.00 0.00 C ATOM 964 O3' DA C 131 3.794 27.287 12.284 1.00 0.00 O ATOM 965 C2' DA C 131 5.789 26.469 11.258 1.00 0.00 C ATOM 966 C1' DA C 131 5.712 25.136 10.537 1.00 0.00 C ATOM 967 N9 DA C 131 6.925 24.889 9.742 1.00 0.00 N ATOM 968 C8 DA C 131 7.428 25.611 8.716 1.00 0.00 C ATOM 969 N7 DA C 131 8.507 25.129 8.169 1.00 0.00 N ATOM 970 C5 DA C 131 8.741 23.974 8.914 1.00 0.00 C ATOM 971 C6 DA C 131 9.734 22.988 8.860 1.00 0.00 C ATOM 972 N6 DA C 131 10.728 22.999 7.972 1.00 0.00 N ATOM 973 N1 DA C 131 9.660 21.988 9.753 1.00 0.00 N ATOM 974 C2 DA C 131 8.672 21.957 10.647 1.00 0.00 C ATOM 975 N3 DA C 131 7.686 22.834 10.783 1.00 0.00 N ATOM 976 C4 DA C 131 7.783 23.824 9.876 1.00 0.00 C ATOM 0 H5' DA C 131 2.811 26.358 8.092 1.00 0.00 H new ATOM 0 H5'' DA C 131 2.441 27.751 9.090 1.00 0.00 H new ATOM 0 H4' DA C 131 2.777 25.927 10.551 1.00 0.00 H new ATOM 0 H3' DA C 131 4.592 28.176 10.626 1.00 0.00 H new ATOM 0 H2' DA C 131 6.615 27.067 10.874 1.00 0.00 H new ATOM 0 H2'' DA C 131 5.970 26.321 12.323 1.00 0.00 H new ATOM 0 H1' DA C 131 5.646 24.319 11.256 1.00 0.00 H new ATOM 0 H8 DA C 131 6.967 26.525 8.373 1.00 0.00 H new ATOM 0 H61 DA C 131 11.425 22.255 7.978 1.00 0.00 H new ATOM 0 H62 DA C 131 10.791 23.752 7.287 1.00 0.00 H new ATOM 0 H2 DA C 131 8.674 21.126 11.337 1.00 0.00 H new ATOM 988 P DC C 132 4.405 28.208 13.452 1.00 0.00 P ATOM 989 OP1 DC C 132 3.296 28.600 14.349 1.00 0.00 O ATOM 990 OP2 DC C 132 5.258 29.248 12.832 1.00 0.00 O ATOM 991 O5' DC C 132 5.348 27.175 14.251 1.00 0.00 O ATOM 992 C5' DC C 132 4.806 25.938 14.715 1.00 0.00 C ATOM 993 C4' DC C 132 5.878 24.989 15.277 1.00 0.00 C ATOM 994 O4' DC C 132 6.717 24.460 14.222 1.00 0.00 O ATOM 995 C3' DC C 132 6.792 25.678 16.295 1.00 0.00 C ATOM 996 O3' DC C 132 6.544 25.186 17.611 1.00 0.00 O ATOM 997 C2' DC C 132 8.207 25.328 15.872 1.00 0.00 C ATOM 998 C1' DC C 132 8.096 24.428 14.658 1.00 0.00 C ATOM 999 N1 DC C 132 9.014 24.880 13.579 1.00 0.00 N ATOM 1000 C2 DC C 132 10.106 24.079 13.250 1.00 0.00 C ATOM 1001 O2 DC C 132 10.320 23.045 13.876 1.00 0.00 O ATOM 1002 N3 DC C 132 10.921 24.482 12.234 1.00 0.00 N ATOM 1003 C4 DC C 132 10.674 25.618 11.567 1.00 0.00 C ATOM 1004 N4 DC C 132 11.461 25.971 10.549 1.00 0.00 N ATOM 1005 C5 DC C 132 9.560 26.445 11.912 1.00 0.00 C ATOM 1006 C6 DC C 132 8.766 26.036 12.918 1.00 0.00 C ATOM 0 H5' DC C 132 4.285 25.445 13.894 1.00 0.00 H new ATOM 0 H5'' DC C 132 4.064 26.139 15.488 1.00 0.00 H new ATOM 0 H4' DC C 132 5.329 24.186 15.769 1.00 0.00 H new ATOM 0 H3' DC C 132 6.622 26.754 16.317 1.00 0.00 H new ATOM 0 H2' DC C 132 8.772 26.229 15.634 1.00 0.00 H new ATOM 0 H2'' DC C 132 8.737 24.823 16.679 1.00 0.00 H new ATOM 0 HO3' DC C 132 7.139 25.637 18.246 1.00 0.00 H new ATOM 0 H1' DC C 132 8.387 23.408 14.908 1.00 0.00 H new ATOM 0 H41 DC C 132 11.277 26.834 10.038 1.00 0.00 H new ATOM 0 H42 DC C 132 12.246 25.377 10.282 1.00 0.00 H new ATOM 0 H5 DC C 132 9.363 27.366 11.383 1.00 0.00 H new ATOM 0 H6 DC C 132 7.917 26.639 13.203 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -5.083 15.569 12.356 1.00 0.00 N ATOM 1021 CA LYS A 1 -6.442 15.094 12.752 1.00 0.00 C ATOM 1022 C LYS A 1 -6.699 13.689 12.193 1.00 0.00 C ATOM 1023 O LYS A 1 -7.735 13.428 11.615 1.00 0.00 O ATOM 1024 CB LYS A 1 -7.511 16.056 12.219 1.00 0.00 C ATOM 1025 CG LYS A 1 -7.350 17.425 12.885 1.00 0.00 C ATOM 1026 CD LYS A 1 -8.430 18.385 12.376 1.00 0.00 C ATOM 1027 CE LYS A 1 -8.250 19.747 13.048 1.00 0.00 C ATOM 1028 NZ LYS A 1 -6.920 20.304 12.673 1.00 0.00 N ATOM 0 H1 LYS A 1 -4.813 16.380 12.948 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.395 14.800 12.487 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.094 15.857 11.357 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.493 15.061 13.840 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.419 16.154 11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.505 15.658 12.420 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.423 17.323 13.968 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.361 17.830 12.669 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.360 18.488 11.293 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.420 17.986 12.595 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.043 20.427 12.738 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.323 19.645 14.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.014 21.319 12.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.254 20.171 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.562 19.811 11.830 1.00 0.00 H new ATOM 1044 N ARG A 2 -5.779 12.772 12.382 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.987 11.372 11.883 1.00 0.00 C ATOM 1046 C ARG A 2 -6.436 10.507 13.062 1.00 0.00 C ATOM 1047 O ARG A 2 -6.477 9.292 12.998 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.676 10.827 11.309 1.00 0.00 C ATOM 1049 CG ARG A 2 -4.176 11.770 10.210 1.00 0.00 C ATOM 1050 CD ARG A 2 -5.201 11.851 9.060 1.00 0.00 C ATOM 1051 NE ARG A 2 -6.076 13.036 9.265 1.00 0.00 N ATOM 1052 CZ ARG A 2 -6.785 13.508 8.274 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -6.746 12.929 7.104 1.00 0.00 N ATOM 1054 NH2 ARG A 2 -7.538 14.556 8.457 1.00 0.00 N ATOM 0 H ARG A 2 -4.892 12.932 12.860 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.743 11.360 11.098 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.929 10.740 12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.830 9.827 10.904 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.007 12.764 10.625 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.218 11.417 9.827 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.686 11.926 8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.802 10.942 9.028 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.123 13.481 10.181 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.161 12.106 6.962 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.301 13.300 6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.573 15.006 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.092 14.927 7.685 1.00 0.00 H new ATOM 1068 N ALA A 3 -6.779 11.150 14.138 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.229 10.413 15.352 1.00 0.00 C ATOM 1070 C ALA A 3 -8.709 10.039 15.225 1.00 0.00 C ATOM 1071 O ALA A 3 -9.582 10.882 15.281 1.00 0.00 O ATOM 1072 CB ALA A 3 -7.021 11.298 16.582 1.00 0.00 C ATOM 0 H ALA A 3 -6.768 12.166 14.232 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.646 9.498 15.455 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.349 10.764 17.474 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.964 11.548 16.676 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.602 12.214 16.474 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.993 8.770 15.067 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.411 8.318 14.948 1.00 0.00 C ATOM 1080 C GLY A 4 -10.850 8.304 13.481 1.00 0.00 C ATOM 1081 O GLY A 4 -11.983 7.991 13.175 1.00 0.00 O ATOM 0 H GLY A 4 -8.299 8.025 15.015 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.518 7.321 15.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.059 8.981 15.521 1.00 0.00 H new ATOM 1085 N THR A 5 -9.985 8.656 12.567 1.00 0.00 N ATOM 1086 CA THR A 5 -10.416 8.670 11.137 1.00 0.00 C ATOM 1087 C THR A 5 -10.711 7.255 10.643 1.00 0.00 C ATOM 1088 O THR A 5 -9.849 6.399 10.602 1.00 0.00 O ATOM 1089 CB THR A 5 -9.328 9.275 10.266 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.862 10.471 10.868 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.895 9.591 8.877 1.00 0.00 C ATOM 0 H THR A 5 -9.018 8.929 12.742 1.00 0.00 H new ATOM 0 HA THR A 5 -11.323 9.271 11.069 1.00 0.00 H new ATOM 0 HB THR A 5 -8.505 8.567 10.166 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.656 11.129 10.172 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.112 10.025 8.255 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.259 8.673 8.415 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.717 10.300 8.972 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.927 7.030 10.231 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.337 5.703 9.682 1.00 0.00 C ATOM 1101 C VAL A 6 -12.836 5.953 8.266 1.00 0.00 C ATOM 1102 O VAL A 6 -13.474 6.954 8.005 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.467 5.117 10.526 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.983 4.910 11.961 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.652 6.082 10.513 1.00 0.00 C ATOM 0 H VAL A 6 -12.673 7.726 10.252 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.504 5.000 9.693 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.774 4.156 10.113 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.791 4.492 12.561 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.136 4.224 11.964 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.676 5.867 12.383 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.463 5.670 11.114 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.344 7.042 10.928 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.995 6.223 9.488 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.562 5.088 7.342 1.00 0.00 N ATOM 1116 CA CYS A 7 -13.035 5.330 5.959 1.00 0.00 C ATOM 1117 C CYS A 7 -14.555 5.364 5.908 1.00 0.00 C ATOM 1118 O CYS A 7 -15.227 4.384 6.154 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.520 4.213 5.065 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.906 4.591 3.338 1.00 0.00 S ATOM 0 H CYS A 7 -12.033 4.227 7.482 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.659 6.294 5.616 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.443 4.100 5.191 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.976 3.265 5.351 1.00 0.00 H new ATOM 1125 N SER A 8 -15.097 6.493 5.574 1.00 0.00 N ATOM 1126 CA SER A 8 -16.566 6.610 5.488 1.00 0.00 C ATOM 1127 C SER A 8 -17.097 5.623 4.444 1.00 0.00 C ATOM 1128 O SER A 8 -18.142 5.027 4.625 1.00 0.00 O ATOM 1129 CB SER A 8 -16.937 8.037 5.084 1.00 0.00 C ATOM 1130 OG SER A 8 -16.394 8.950 6.032 1.00 0.00 O ATOM 0 H SER A 8 -14.580 7.345 5.356 1.00 0.00 H new ATOM 0 HA SER A 8 -17.009 6.381 6.457 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.552 8.257 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.021 8.144 5.038 1.00 0.00 H new ATOM 0 HG SER A 8 -15.433 9.054 5.873 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.412 5.464 3.329 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.935 4.537 2.282 1.00 0.00 C ATOM 1138 C ASN A 9 -16.735 3.064 2.648 1.00 0.00 C ATOM 1139 O ASN A 9 -17.606 2.264 2.374 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.237 4.816 0.946 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.750 6.138 0.375 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.808 6.601 0.753 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -16.054 6.761 -0.536 1.00 0.00 N ATOM 0 H ASN A 9 -15.531 5.929 3.107 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.007 4.719 2.203 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.157 4.863 1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.430 4.004 0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.398 7.636 -0.931 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.166 6.373 -0.853 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.613 2.664 3.238 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.443 1.200 3.562 1.00 0.00 C ATOM 1152 C CYS A 10 -15.050 0.971 5.030 1.00 0.00 C ATOM 1153 O CYS A 10 -14.731 -0.135 5.411 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.440 0.534 2.595 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.721 0.888 3.051 1.00 0.00 S ATOM 0 H CYS A 10 -14.835 3.269 3.500 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.413 0.723 3.422 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.600 -0.544 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.626 0.886 1.580 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.129 1.980 5.869 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.835 1.814 7.336 1.00 0.00 C ATOM 1162 C GLN A 11 -13.400 1.359 7.644 1.00 0.00 C ATOM 1163 O GLN A 11 -13.071 1.152 8.793 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.810 0.799 7.957 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.247 1.320 7.864 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.205 0.275 8.445 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.848 -0.457 9.349 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.408 0.160 7.954 1.00 0.00 N ATOM 0 H GLN A 11 -15.389 2.928 5.596 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.958 2.806 7.771 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.728 -0.157 7.441 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.547 0.622 9.000 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.341 2.259 8.409 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.504 1.528 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.710 0.772 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -20.046 -0.542 8.328 1.00 0.00 H new ATOM 1177 N THR A 12 -12.532 1.196 6.686 1.00 0.00 N ATOM 1178 CA THR A 12 -11.152 0.748 7.060 1.00 0.00 C ATOM 1179 C THR A 12 -10.478 1.833 7.915 1.00 0.00 C ATOM 1180 O THR A 12 -10.868 2.983 7.864 1.00 0.00 O ATOM 1181 CB THR A 12 -10.316 0.484 5.792 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.094 -0.136 6.164 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.010 1.789 5.038 1.00 0.00 C ATOM 0 H THR A 12 -12.703 1.346 5.692 1.00 0.00 H new ATOM 0 HA THR A 12 -11.218 -0.177 7.633 1.00 0.00 H new ATOM 0 HB THR A 12 -10.891 -0.164 5.131 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.557 -0.309 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.419 1.566 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.944 2.266 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.449 2.461 5.687 1.00 0.00 H new ATOM 1191 N SER A 13 -9.450 1.495 8.669 1.00 0.00 N ATOM 1192 CA SER A 13 -8.731 2.534 9.495 1.00 0.00 C ATOM 1193 C SER A 13 -7.215 2.362 9.306 1.00 0.00 C ATOM 1194 O SER A 13 -6.417 2.940 10.018 1.00 0.00 O ATOM 1195 CB SER A 13 -9.080 2.368 10.973 1.00 0.00 C ATOM 1196 OG SER A 13 -8.452 3.401 11.719 1.00 0.00 O ATOM 0 H SER A 13 -9.078 0.549 8.749 1.00 0.00 H new ATOM 0 HA SER A 13 -9.039 3.528 9.170 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.160 2.409 11.111 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.750 1.393 11.330 1.00 0.00 H new ATOM 0 HG SER A 13 -7.572 3.594 11.333 1.00 0.00 H new ATOM 1202 N THR A 14 -6.823 1.567 8.344 1.00 0.00 N ATOM 1203 CA THR A 14 -5.369 1.329 8.071 1.00 0.00 C ATOM 1204 C THR A 14 -5.036 1.901 6.701 1.00 0.00 C ATOM 1205 O THR A 14 -4.487 1.243 5.854 1.00 0.00 O ATOM 1206 CB THR A 14 -5.106 -0.171 8.048 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.635 -0.717 6.849 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.782 -0.819 9.250 1.00 0.00 C ATOM 0 H THR A 14 -7.458 1.063 7.725 1.00 0.00 H new ATOM 0 HA THR A 14 -4.761 1.802 8.842 1.00 0.00 H new ATOM 0 HB THR A 14 -4.034 -0.361 8.092 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.271 -0.231 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.596 -1.893 9.237 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.379 -0.392 10.168 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.856 -0.636 9.206 1.00 0.00 H new ATOM 1216 N THR A 15 -5.443 3.095 6.453 1.00 0.00 N ATOM 1217 CA THR A 15 -5.222 3.697 5.107 1.00 0.00 C ATOM 1218 C THR A 15 -3.773 4.135 4.926 1.00 0.00 C ATOM 1219 O THR A 15 -3.115 4.552 5.859 1.00 0.00 O ATOM 1220 CB THR A 15 -6.110 4.929 4.987 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.458 6.035 5.595 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.412 4.659 5.726 1.00 0.00 C ATOM 0 H THR A 15 -5.925 3.695 7.122 1.00 0.00 H new ATOM 0 HA THR A 15 -5.458 2.952 4.348 1.00 0.00 H new ATOM 0 HB THR A 15 -6.307 5.149 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.090 6.509 6.175 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.061 5.532 5.651 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.910 3.797 5.282 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.199 4.455 6.775 1.00 0.00 H new ATOM 1230 N THR A 16 -3.282 4.086 3.717 1.00 0.00 N ATOM 1231 CA THR A 16 -1.895 4.552 3.470 1.00 0.00 C ATOM 1232 C THR A 16 -1.944 6.078 3.400 1.00 0.00 C ATOM 1233 O THR A 16 -1.071 6.767 3.887 1.00 0.00 O ATOM 1234 CB THR A 16 -1.361 3.989 2.150 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.269 4.290 1.103 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.187 2.480 2.263 1.00 0.00 C ATOM 0 H THR A 16 -3.782 3.745 2.896 1.00 0.00 H new ATOM 0 HA THR A 16 -1.232 4.212 4.266 1.00 0.00 H new ATOM 0 HB THR A 16 -0.394 4.443 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.993 3.824 0.286 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.807 2.086 1.320 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.481 2.254 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.149 2.019 2.488 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.993 6.615 2.811 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.136 8.101 2.729 1.00 0.00 C ATOM 1246 C LEU A 17 -4.629 8.451 2.865 1.00 0.00 C ATOM 1247 O LEU A 17 -5.473 7.858 2.221 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.581 8.628 1.385 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.945 10.012 1.594 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.669 9.890 2.479 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.604 10.643 0.225 1.00 0.00 C ATOM 0 H LEU A 17 -3.753 6.084 2.385 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.567 8.571 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.841 7.933 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.383 8.693 0.650 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.655 10.659 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.228 10.877 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.938 9.471 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.053 9.237 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.154 11.624 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.902 10.001 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.515 10.750 -0.363 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.957 9.399 3.702 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.387 9.785 3.888 1.00 0.00 C ATOM 1265 C TRP A 18 -6.797 10.795 2.809 1.00 0.00 C ATOM 1266 O TRP A 18 -6.141 11.798 2.606 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.542 10.437 5.262 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.523 9.393 6.338 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.506 9.190 7.204 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.545 8.411 6.676 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.848 8.165 8.066 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.091 7.652 7.780 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.813 8.113 6.145 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.865 6.636 8.340 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.591 7.085 6.703 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.118 6.349 7.799 1.00 0.00 C ATOM 0 H TRP A 18 -4.292 9.926 4.268 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.018 8.900 3.812 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.736 11.152 5.426 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.477 10.995 5.304 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.576 9.740 7.220 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.251 7.830 8.822 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.190 8.677 5.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.497 6.075 9.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.561 6.860 6.285 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.723 5.561 8.223 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.869 10.527 2.109 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.329 11.453 1.025 1.00 0.00 C ATOM 1289 C ARG A 19 -9.679 12.072 1.410 1.00 0.00 C ATOM 1290 O ARG A 19 -10.654 11.370 1.553 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.554 10.643 -0.273 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.465 9.591 -0.463 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.165 10.278 -0.837 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.130 9.251 -1.126 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.070 9.570 -1.813 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.874 10.801 -2.179 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.192 8.660 -2.115 1.00 0.00 N ATOM 0 H ARG A 19 -8.452 9.700 2.241 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.575 12.228 0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.530 10.158 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.564 11.318 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.335 9.016 0.454 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.755 8.887 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.315 10.915 -1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.835 10.924 -0.024 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.250 8.297 -0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.551 11.521 -1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.043 11.047 -2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.333 7.696 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.362 8.910 -2.653 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.785 13.362 1.542 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.127 13.930 1.863 1.00 0.00 C ATOM 1313 C ARG A 20 -12.004 13.768 0.617 1.00 0.00 C ATOM 1314 O ARG A 20 -11.529 13.887 -0.495 1.00 0.00 O ATOM 1315 CB ARG A 20 -11.009 15.415 2.234 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.357 15.568 3.620 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.241 14.916 4.702 1.00 0.00 C ATOM 1318 NE ARG A 20 -11.132 15.671 5.992 1.00 0.00 N ATOM 1319 CZ ARG A 20 -9.976 16.015 6.491 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -8.864 15.569 5.974 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.937 16.767 7.554 1.00 0.00 N ATOM 0 H ARG A 20 -9.025 14.035 1.445 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.564 13.409 2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.414 15.938 1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.997 15.876 2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.371 15.104 3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.212 16.624 3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.279 14.899 4.370 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.937 13.880 4.853 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.984 15.923 6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.891 14.943 5.169 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.968 15.846 6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.805 17.081 7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.039 17.041 7.952 1.00 0.00 H new ATOM 1335 N SER A 21 -13.275 13.482 0.781 1.00 0.00 N ATOM 1336 CA SER A 21 -14.167 13.299 -0.413 1.00 0.00 C ATOM 1337 C SER A 21 -14.854 14.635 -0.772 1.00 0.00 C ATOM 1338 O SER A 21 -15.004 15.498 0.065 1.00 0.00 O ATOM 1339 CB SER A 21 -15.223 12.224 -0.106 1.00 0.00 C ATOM 1340 OG SER A 21 -16.492 12.640 -0.593 1.00 0.00 O ATOM 0 H SER A 21 -13.733 13.368 1.685 1.00 0.00 H new ATOM 0 HA SER A 21 -13.567 12.978 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.938 11.279 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.275 12.050 0.969 1.00 0.00 H new ATOM 0 HG SER A 21 -17.160 11.951 -0.396 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.273 14.801 -2.016 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.954 16.054 -2.450 1.00 0.00 C ATOM 1348 C PRO A 22 -17.107 16.472 -1.513 1.00 0.00 C ATOM 1349 O PRO A 22 -17.486 17.624 -1.461 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.486 15.675 -3.855 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.986 14.257 -4.207 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.085 13.763 -3.068 1.00 0.00 C ATOM 0 HA PRO A 22 -15.285 16.914 -2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.575 15.706 -3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.138 16.394 -4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.830 13.581 -4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.435 14.272 -5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.383 12.775 -2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.043 13.690 -3.381 1.00 0.00 H new ATOM 1360 N MET A 23 -17.669 15.542 -0.782 1.00 0.00 N ATOM 1361 CA MET A 23 -18.796 15.879 0.141 1.00 0.00 C ATOM 1362 C MET A 23 -18.253 16.149 1.550 1.00 0.00 C ATOM 1363 O MET A 23 -18.927 16.714 2.388 1.00 0.00 O ATOM 1364 CB MET A 23 -19.775 14.707 0.182 1.00 0.00 C ATOM 1365 CG MET A 23 -20.988 15.086 1.035 1.00 0.00 C ATOM 1366 SD MET A 23 -22.280 13.839 0.823 1.00 0.00 S ATOM 1367 CE MET A 23 -23.607 14.762 1.630 1.00 0.00 C ATOM 0 H MET A 23 -17.394 14.560 -0.785 1.00 0.00 H new ATOM 0 HA MET A 23 -19.307 16.772 -0.218 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.093 14.450 -0.828 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.286 13.825 0.597 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.702 15.155 2.084 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.362 16.067 0.741 1.00 0.00 H new ATOM 0 HE1 MET A 23 -24.522 14.171 1.616 1.00 0.00 H new ATOM 0 HE2 MET A 23 -23.328 14.973 2.662 1.00 0.00 H new ATOM 0 HE3 MET A 23 -23.773 15.700 1.100 1.00 0.00 H new ATOM 1377 N GLY A 24 -17.030 15.761 1.812 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.426 16.001 3.159 1.00 0.00 C ATOM 1379 C GLY A 24 -16.450 14.712 3.992 1.00 0.00 C ATOM 1380 O GLY A 24 -16.399 14.752 5.205 1.00 0.00 O ATOM 0 H GLY A 24 -16.420 15.285 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.400 16.351 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.976 16.787 3.677 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.524 13.568 3.360 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.547 12.277 4.119 1.00 0.00 C ATOM 1386 C ASP A 25 -15.143 11.636 4.101 1.00 0.00 C ATOM 1387 O ASP A 25 -14.680 11.230 3.056 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.498 11.313 3.413 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.898 11.927 3.331 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -19.057 13.054 3.770 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.787 11.256 2.833 1.00 0.00 O ATOM 0 H ASP A 25 -16.570 13.471 2.346 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.863 12.470 5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.129 11.093 2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.538 10.367 3.953 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.456 11.514 5.220 1.00 0.00 N ATOM 1397 CA PRO A 26 -13.109 10.872 5.200 1.00 0.00 C ATOM 1398 C PRO A 26 -13.130 9.482 4.518 1.00 0.00 C ATOM 1399 O PRO A 26 -13.941 8.639 4.841 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.793 10.757 6.705 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.716 11.733 7.449 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.935 11.989 6.555 1.00 0.00 C ATOM 0 HA PRO A 26 -12.370 11.435 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.954 9.737 7.053 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.747 10.998 6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.025 11.314 8.407 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.195 12.666 7.662 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.811 11.436 6.893 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.212 13.043 6.536 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.220 9.242 3.601 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.150 7.898 2.916 1.00 0.00 C ATOM 1412 C VAL A 27 -10.697 7.426 2.856 1.00 0.00 C ATOM 1413 O VAL A 27 -9.779 8.209 2.988 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.713 7.953 1.495 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.240 8.044 1.539 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.112 9.155 0.765 1.00 0.00 C ATOM 0 H VAL A 27 -11.520 9.917 3.294 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.755 7.202 3.497 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.447 7.044 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.632 8.083 0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.642 7.169 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.535 8.945 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.509 9.201 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.370 10.070 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.028 9.052 0.726 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.477 6.148 2.655 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.082 5.633 2.589 1.00 0.00 C ATOM 1428 C CYS A 28 -8.490 5.835 1.188 1.00 0.00 C ATOM 1429 O CYS A 28 -9.191 6.058 0.220 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.053 4.152 3.012 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.804 3.058 1.770 1.00 0.00 S ATOM 0 H CYS A 28 -11.205 5.444 2.535 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.460 6.198 3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.021 3.847 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.581 4.038 3.959 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.186 5.802 1.100 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.476 6.035 -0.197 1.00 0.00 C ATOM 1438 C ASN A 29 -7.083 5.226 -1.341 1.00 0.00 C ATOM 1439 O ASN A 29 -7.204 5.714 -2.447 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.012 5.604 -0.028 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.233 5.823 -1.330 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.792 5.774 -2.409 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.948 6.036 -1.278 1.00 0.00 N ATOM 0 H ASN A 29 -6.568 5.619 1.890 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.565 7.092 -0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.550 6.173 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.967 4.553 0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.416 6.161 -2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.474 6.078 -0.376 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.431 3.999 -1.118 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.984 3.195 -2.238 1.00 0.00 C ATOM 1452 C ALA A 30 -9.388 3.691 -2.621 1.00 0.00 C ATOM 1453 O ALA A 30 -9.654 3.963 -3.775 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.015 1.733 -1.831 1.00 0.00 C ATOM 0 H ALA A 30 -7.359 3.519 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.347 3.308 -3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.420 1.136 -2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.003 1.397 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.644 1.614 -0.949 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.289 3.825 -1.678 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.663 4.316 -2.028 1.00 0.00 C ATOM 1462 C CYS A 31 -11.542 5.659 -2.736 1.00 0.00 C ATOM 1463 O CYS A 31 -12.076 5.865 -3.798 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.489 4.553 -0.757 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.045 2.997 -0.036 1.00 0.00 S ATOM 0 H CYS A 31 -10.137 3.619 -0.691 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.145 3.568 -2.658 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.890 5.100 -0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.352 5.176 -0.993 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.845 6.571 -2.124 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.678 7.930 -2.713 1.00 0.00 C ATOM 1472 C GLY A 32 -10.438 7.839 -4.222 1.00 0.00 C ATOM 1473 O GLY A 32 -11.178 8.386 -5.012 1.00 0.00 O ATOM 0 H GLY A 32 -10.377 6.433 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.567 8.529 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.840 8.438 -2.236 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.395 7.175 -4.619 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.071 7.061 -6.072 1.00 0.00 C ATOM 1479 C LEU A 33 -10.188 6.368 -6.855 1.00 0.00 C ATOM 1480 O LEU A 33 -10.646 6.875 -7.850 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.787 6.248 -6.213 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.628 7.039 -5.598 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.381 6.141 -5.515 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.344 8.312 -6.440 1.00 0.00 C ATOM 0 H LEU A 33 -8.743 6.699 -3.996 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.954 8.065 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.894 5.285 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.586 6.041 -7.264 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.896 7.356 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.556 6.703 -5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.599 5.273 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.104 5.810 -6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.519 8.867 -5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.080 8.024 -7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.234 8.941 -6.461 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.640 5.230 -6.420 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.721 4.526 -7.173 1.00 0.00 C ATOM 1498 C TYR A 34 -12.958 5.412 -7.244 1.00 0.00 C ATOM 1499 O TYR A 34 -13.675 5.429 -8.224 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.085 3.227 -6.449 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.358 2.660 -7.046 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -13.380 2.226 -8.377 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.522 2.591 -6.271 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -14.564 1.719 -8.926 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.704 2.090 -6.821 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.725 1.653 -8.149 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.893 1.164 -8.694 1.00 0.00 O ATOM 0 H TYR A 34 -10.313 4.754 -5.579 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.368 4.305 -8.180 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.273 2.506 -6.542 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.222 3.417 -5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.485 2.282 -8.979 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.506 2.926 -5.244 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.581 1.378 -9.951 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.601 2.040 -6.221 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.603 1.186 -8.019 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.218 6.121 -6.199 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.411 6.992 -6.139 1.00 0.00 C ATOM 1519 C TYR A 35 -14.367 8.035 -7.264 1.00 0.00 C ATOM 1520 O TYR A 35 -15.323 8.226 -7.981 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.367 7.684 -4.775 1.00 0.00 C ATOM 1522 CG TYR A 35 -15.699 8.276 -4.421 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.677 7.482 -3.810 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -15.944 9.620 -4.671 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.907 8.037 -3.456 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -17.169 10.184 -4.316 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.157 9.394 -3.709 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.369 9.952 -3.360 1.00 0.00 O ATOM 0 H TYR A 35 -12.639 6.136 -5.359 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.328 6.416 -6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.071 6.966 -4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.610 8.468 -4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.479 6.439 -3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -15.185 10.229 -5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.664 7.424 -2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -17.357 11.230 -4.508 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.375 10.901 -3.605 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.274 8.719 -7.422 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.188 9.765 -8.491 1.00 0.00 C ATOM 1540 C LYS A 36 -13.414 9.128 -9.866 1.00 0.00 C ATOM 1541 O LYS A 36 -14.047 9.705 -10.727 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.789 10.439 -8.463 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.096 10.127 -7.147 1.00 0.00 C ATOM 1544 CD LYS A 36 -9.950 11.113 -6.900 1.00 0.00 C ATOM 1545 CE LYS A 36 -8.836 10.939 -7.951 1.00 0.00 C ATOM 1546 NZ LYS A 36 -9.078 11.865 -9.095 1.00 0.00 N ATOM 0 H LYS A 36 -12.431 8.604 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.956 10.516 -8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.185 10.081 -9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.892 11.517 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.814 10.182 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.710 9.108 -7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.330 12.134 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.541 10.958 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.864 11.145 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.813 9.908 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.156 11.316 -9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.961 12.391 -8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.286 12.534 -9.173 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.884 7.964 -10.089 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.053 7.327 -11.419 1.00 0.00 C ATOM 1562 C LEU A 37 -14.549 7.153 -11.691 1.00 0.00 C ATOM 1563 O LEU A 37 -15.035 7.489 -12.753 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.344 5.962 -11.426 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.839 6.122 -11.716 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.096 6.687 -10.494 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -10.255 4.749 -12.067 1.00 0.00 C ATOM 0 H LEU A 37 -12.343 7.427 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.614 7.951 -12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.482 5.472 -10.462 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.796 5.317 -12.179 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.715 6.818 -12.546 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.036 6.789 -10.728 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.507 7.664 -10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.217 6.009 -9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.190 4.849 -12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.399 4.067 -11.229 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.761 4.353 -12.948 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.289 6.665 -10.727 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.767 6.504 -10.905 1.00 0.00 C ATOM 1581 C HIS A 38 -17.460 7.549 -10.031 1.00 0.00 C ATOM 1582 O HIS A 38 -18.015 8.501 -10.534 1.00 0.00 O ATOM 1583 CB HIS A 38 -17.180 5.102 -10.446 1.00 0.00 C ATOM 1584 CG HIS A 38 -16.369 4.086 -11.191 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.069 3.674 -11.049 1.00 0.00 N flip ATOM 1586 CD2 HIS A 38 -16.883 3.366 -12.258 1.00 0.00 C flip ATOM 1587 CE1 HIS A 38 -14.775 2.715 -12.016 1.00 0.00 C flip ATOM 1588 NE2 HIS A 38 -15.904 2.568 -12.717 1.00 0.00 N flip ATOM 0 H HIS A 38 -14.932 6.369 -9.819 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.046 6.635 -11.951 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -17.023 4.996 -9.373 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -18.243 4.944 -10.630 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -14.417 4.017 -10.344 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.887 3.434 -12.649 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.837 2.201 -12.167 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.419 7.315 -8.729 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.057 8.209 -7.689 1.00 0.00 C ATOM 1598 C GLN A 39 -19.186 7.433 -7.008 1.00 0.00 C ATOM 1599 O GLN A 39 -20.341 7.807 -7.046 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.594 9.516 -8.300 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.070 10.466 -7.196 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.710 11.702 -7.834 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.398 12.050 -8.955 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.600 12.384 -7.166 1.00 0.00 N ATOM 0 H GLN A 39 -16.948 6.504 -8.329 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.298 8.493 -6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.814 9.996 -8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.418 9.296 -8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.790 9.961 -6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.230 10.761 -6.567 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -20.864 12.094 -6.224 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.032 13.207 -7.586 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.838 6.347 -6.374 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.839 5.521 -5.659 1.00 0.00 C ATOM 1615 C VAL A 40 -19.143 4.830 -4.484 1.00 0.00 C ATOM 1616 O VAL A 40 -17.932 4.733 -4.442 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.412 4.462 -6.597 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.327 5.116 -7.634 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.271 3.737 -7.313 1.00 0.00 C ATOM 0 H VAL A 40 -17.882 5.995 -6.323 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.652 6.154 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.989 3.747 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.730 4.351 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.147 5.625 -7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.757 5.839 -8.218 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.683 2.981 -7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.690 4.455 -7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.626 3.257 -6.577 1.00 0.00 H new ATOM 1629 N ASN A 41 -19.888 4.338 -3.538 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.250 3.640 -2.384 1.00 0.00 C ATOM 1631 C ASN A 41 -18.924 2.198 -2.797 1.00 0.00 C ATOM 1632 O ASN A 41 -19.737 1.526 -3.401 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.224 3.631 -1.202 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.451 2.785 -1.555 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.356 1.582 -1.684 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.612 3.367 -1.712 1.00 0.00 N ATOM 0 H ASN A 41 -20.906 4.387 -3.510 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.334 4.154 -2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.733 3.227 -0.316 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.529 4.649 -0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.435 2.810 -1.942 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.694 4.378 -1.604 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.738 1.717 -2.504 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.375 0.320 -2.908 1.00 0.00 C ATOM 1645 C ARG A 42 -17.707 -0.648 -1.757 1.00 0.00 C ATOM 1646 O ARG A 42 -17.650 -0.268 -0.604 1.00 0.00 O ATOM 1647 CB ARG A 42 -15.871 0.265 -3.221 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.058 0.661 -1.985 1.00 0.00 C ATOM 1649 CD ARG A 42 -13.561 0.587 -2.302 1.00 0.00 C ATOM 1650 NE ARG A 42 -12.800 0.493 -1.027 1.00 0.00 N ATOM 1651 CZ ARG A 42 -11.546 0.137 -1.038 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -10.972 -0.190 -2.163 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -10.871 0.096 0.079 1.00 0.00 N ATOM 0 H ARG A 42 -17.009 2.228 -2.005 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.941 0.029 -3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.595 -0.740 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.640 0.936 -4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.323 1.671 -1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.296 -0.003 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.352 -0.279 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.251 1.469 -2.862 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.260 0.708 -0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.504 -0.167 -3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.991 -0.469 -2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.325 0.342 0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.890 -0.182 0.072 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.041 -1.893 -2.043 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.361 -2.864 -0.955 1.00 0.00 C ATOM 1669 C PRO A 43 -17.126 -3.191 -0.099 1.00 0.00 C ATOM 1670 O PRO A 43 -16.005 -3.134 -0.561 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.845 -4.091 -1.746 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.342 -3.932 -3.186 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.130 -2.432 -3.435 1.00 0.00 C ATOM 0 HA PRO A 43 -19.093 -2.489 -0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.460 -5.010 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.933 -4.158 -1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.411 -4.480 -3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.065 -4.340 -3.892 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.222 -2.238 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -18.957 -1.990 -3.991 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.330 -3.519 1.147 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.179 -3.834 2.045 1.00 0.00 C ATOM 1683 C LEU A 44 -15.504 -5.137 1.613 1.00 0.00 C ATOM 1684 O LEU A 44 -14.544 -5.571 2.217 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.688 -3.963 3.492 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.760 -2.580 4.145 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.877 -1.763 3.499 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -17.049 -2.733 5.643 1.00 0.00 C ATOM 0 H LEU A 44 -18.249 -3.583 1.586 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.446 -3.030 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.673 -4.430 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -16.023 -4.611 4.064 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.807 -2.069 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.925 -0.779 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.675 -1.649 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.829 -2.276 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.100 -1.748 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -18.000 -3.248 5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.253 -3.313 6.110 1.00 0.00 H new ATOM 1700 N THR A 45 -15.978 -5.769 0.578 1.00 0.00 N ATOM 1701 CA THR A 45 -15.320 -7.030 0.145 1.00 0.00 C ATOM 1702 C THR A 45 -13.869 -6.715 -0.234 1.00 0.00 C ATOM 1703 O THR A 45 -13.043 -7.598 -0.352 1.00 0.00 O ATOM 1704 CB THR A 45 -16.050 -7.627 -1.070 1.00 0.00 C ATOM 1705 OG1 THR A 45 -16.128 -6.649 -2.099 1.00 0.00 O ATOM 1706 CG2 THR A 45 -17.467 -8.073 -0.679 1.00 0.00 C ATOM 0 H THR A 45 -16.780 -5.473 0.021 1.00 0.00 H new ATOM 0 HA THR A 45 -15.352 -7.755 0.958 1.00 0.00 H new ATOM 0 HB THR A 45 -15.494 -8.495 -1.424 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.591 -7.027 -2.875 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.970 -8.493 -1.550 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.407 -8.828 0.105 1.00 0.00 H new ATOM 0 HG23 THR A 45 -18.031 -7.215 -0.314 1.00 0.00 H new ATOM 1714 N MET A 46 -13.557 -5.458 -0.446 1.00 0.00 N ATOM 1715 CA MET A 46 -12.159 -5.077 -0.841 1.00 0.00 C ATOM 1716 C MET A 46 -11.380 -4.610 0.390 1.00 0.00 C ATOM 1717 O MET A 46 -10.218 -4.263 0.310 1.00 0.00 O ATOM 1718 CB MET A 46 -12.225 -3.941 -1.872 1.00 0.00 C ATOM 1719 CG MET A 46 -10.932 -3.887 -2.690 1.00 0.00 C ATOM 1720 SD MET A 46 -11.137 -2.675 -4.019 1.00 0.00 S ATOM 1721 CE MET A 46 -9.738 -3.167 -5.058 1.00 0.00 C ATOM 0 H MET A 46 -14.209 -4.678 -0.363 1.00 0.00 H new ATOM 0 HA MET A 46 -11.652 -5.940 -1.273 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.076 -4.092 -2.535 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.382 -2.989 -1.364 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.093 -3.610 -2.052 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.706 -4.869 -3.106 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.931 -2.874 -6.090 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.832 -2.676 -4.704 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.609 -4.248 -5.006 1.00 0.00 H new ATOM 1731 N ARG A 47 -12.015 -4.595 1.524 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.328 -4.148 2.766 1.00 0.00 C ATOM 1733 C ARG A 47 -10.469 -5.287 3.317 1.00 0.00 C ATOM 1734 O ARG A 47 -10.930 -6.401 3.478 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.389 -3.746 3.791 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.734 -3.322 5.106 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.822 -2.800 6.050 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.258 -2.600 7.428 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.755 -3.592 8.118 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.863 -4.823 7.692 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.178 -3.354 9.265 1.00 0.00 N ATOM 0 H ARG A 47 -12.988 -4.875 1.647 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.682 -3.297 2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.991 -2.927 3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.066 -4.582 3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.214 -4.166 5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.988 -2.548 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.221 -1.859 5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.651 -3.506 6.087 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.267 -1.666 7.837 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.343 -5.018 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.467 -5.588 8.238 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.121 -2.399 9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.784 -4.123 9.807 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.222 -5.009 3.614 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.307 -6.055 4.168 1.00 0.00 C ATOM 1757 C LYS A 48 -7.754 -5.557 5.504 1.00 0.00 C ATOM 1758 O LYS A 48 -7.429 -4.396 5.653 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.149 -6.303 3.196 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.370 -7.536 3.655 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.152 -7.751 2.753 1.00 0.00 C ATOM 1762 CE LYS A 48 -4.550 -9.135 3.025 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.268 -9.285 4.484 1.00 0.00 N ATOM 0 H LYS A 48 -8.795 -4.090 3.494 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.854 -6.987 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.531 -6.453 2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.492 -5.434 3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.049 -7.410 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.014 -8.415 3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.443 -7.669 1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.408 -6.976 2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.239 -9.913 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.631 -9.261 2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.599 -10.068 4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.855 -8.404 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.154 -9.488 4.990 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.676 -6.420 6.484 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.177 -6.003 7.833 1.00 0.00 C ATOM 1779 C ASP A 49 -6.003 -5.024 7.705 1.00 0.00 C ATOM 1780 O ASP A 49 -6.184 -3.822 7.652 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.722 -7.244 8.613 1.00 0.00 C ATOM 1782 CG ASP A 49 -5.918 -8.171 7.697 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -6.494 -8.684 6.753 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -4.741 -8.356 7.958 1.00 0.00 O ATOM 0 H ASP A 49 -7.938 -7.403 6.409 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.988 -5.503 8.363 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.113 -6.945 9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.589 -7.773 9.009 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.802 -5.533 7.673 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.611 -4.642 7.565 1.00 0.00 C ATOM 1791 C GLY A 50 -3.529 -4.053 6.157 1.00 0.00 C ATOM 1792 O GLY A 50 -4.407 -4.248 5.339 1.00 0.00 O ATOM 0 H GLY A 50 -4.593 -6.530 7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.677 -3.841 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.704 -5.204 7.787 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.473 -3.341 5.860 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.321 -2.753 4.504 1.00 0.00 C ATOM 1798 C ILE A 51 -1.561 -3.730 3.614 1.00 0.00 C ATOM 1799 O ILE A 51 -0.652 -4.412 4.043 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.561 -1.428 4.612 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.283 -0.550 5.654 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.518 -0.720 3.237 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.951 0.933 5.443 1.00 0.00 C ATOM 0 H ILE A 51 -1.708 -3.143 6.505 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.301 -2.565 4.065 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.532 -1.606 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.360 -0.700 5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.988 -0.854 6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.975 0.220 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.014 -1.361 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.535 -0.520 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.472 1.532 6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.876 1.083 5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.269 1.239 4.446 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.914 -3.779 2.370 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.202 -4.681 1.432 1.00 0.00 C ATOM 1817 C GLN A 52 0.095 -3.993 1.008 1.00 0.00 C ATOM 1818 O GLN A 52 0.189 -2.785 1.024 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.076 -4.932 0.206 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.339 -5.672 0.632 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.253 -5.839 -0.580 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.383 -6.922 -1.113 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.890 -4.797 -1.042 1.00 0.00 N ATOM 0 H GLN A 52 -2.669 -3.231 1.957 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.984 -5.636 1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.337 -3.986 -0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.528 -5.518 -0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.082 -6.647 1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.853 -5.117 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.778 -3.889 -0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.500 -4.891 -1.854 1.00 0.00 H new ATOM 1832 N THR A 53 1.106 -4.740 0.656 1.00 0.00 N ATOM 1833 CA THR A 53 2.397 -4.102 0.245 1.00 0.00 C ATOM 1834 C THR A 53 2.982 -4.845 -0.956 1.00 0.00 C ATOM 1835 O THR A 53 2.620 -5.964 -1.253 1.00 0.00 O ATOM 1836 CB THR A 53 3.383 -4.124 1.418 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.710 -4.032 0.921 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.222 -5.419 2.214 1.00 0.00 C ATOM 0 H THR A 53 1.098 -5.760 0.634 1.00 0.00 H new ATOM 0 HA THR A 53 2.214 -3.066 -0.039 1.00 0.00 H new ATOM 0 HB THR A 53 3.178 -3.277 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.342 -4.044 1.670 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.927 -5.425 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.205 -5.485 2.600 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.419 -6.272 1.565 1.00 0.00 H new ATOM 1846 N ARG A 54 3.873 -4.202 -1.657 1.00 0.00 N ATOM 1847 CA ARG A 54 4.494 -4.830 -2.866 1.00 0.00 C ATOM 1848 C ARG A 54 5.902 -4.276 -3.076 1.00 0.00 C ATOM 1849 O ARG A 54 6.333 -3.382 -2.379 1.00 0.00 O ATOM 1850 CB ARG A 54 3.637 -4.527 -4.099 1.00 0.00 C ATOM 1851 CG ARG A 54 2.275 -5.225 -3.969 1.00 0.00 C ATOM 1852 CD ARG A 54 1.605 -5.286 -5.341 1.00 0.00 C ATOM 1853 NE ARG A 54 2.363 -6.248 -6.193 1.00 0.00 N ATOM 1854 CZ ARG A 54 1.873 -6.645 -7.333 1.00 0.00 C ATOM 1855 NH1 ARG A 54 0.780 -6.106 -7.796 1.00 0.00 N ATOM 1856 NH2 ARG A 54 2.492 -7.559 -8.023 1.00 0.00 N ATOM 0 H ARG A 54 4.203 -3.260 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 54 4.552 -5.908 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.496 -3.451 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.146 -4.868 -5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.406 -6.231 -3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.642 -4.684 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.567 -5.603 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.594 -4.298 -5.802 1.00 0.00 H new ATOM 0 HE ARG A 54 3.269 -6.597 -5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.308 -5.373 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.396 -6.417 -8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.360 -7.964 -7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.109 -7.871 -8.916 1.00 0.00 H new ATOM 1870 N ASN A 55 6.623 -4.789 -4.044 1.00 0.00 N ATOM 1871 CA ASN A 55 7.991 -4.256 -4.284 1.00 0.00 C ATOM 1872 C ASN A 55 7.865 -2.781 -4.663 1.00 0.00 C ATOM 1873 O ASN A 55 6.989 -2.388 -5.405 1.00 0.00 O ATOM 1874 CB ASN A 55 8.692 -5.025 -5.411 1.00 0.00 C ATOM 1875 CG ASN A 55 9.062 -6.434 -4.941 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.156 -6.693 -3.756 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.281 -7.360 -5.834 1.00 0.00 N ATOM 0 H ASN A 55 6.326 -5.541 -4.666 1.00 0.00 H new ATOM 0 HA ASN A 55 8.590 -4.372 -3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.039 -5.084 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.590 -4.490 -5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.532 -8.304 -5.539 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.201 -7.140 -6.827 1.00 0.00 H new ATOM 1884 N ARG A 56 8.720 -1.963 -4.125 1.00 0.00 N ATOM 1885 CA ARG A 56 8.652 -0.498 -4.404 1.00 0.00 C ATOM 1886 C ARG A 56 9.012 -0.179 -5.863 1.00 0.00 C ATOM 1887 O ARG A 56 9.970 -0.684 -6.413 1.00 0.00 O ATOM 1888 CB ARG A 56 9.645 0.220 -3.489 1.00 0.00 C ATOM 1889 CG ARG A 56 9.179 0.111 -2.036 1.00 0.00 C ATOM 1890 CD ARG A 56 10.028 1.042 -1.175 1.00 0.00 C ATOM 1891 NE ARG A 56 9.677 0.860 0.264 1.00 0.00 N ATOM 1892 CZ ARG A 56 10.450 1.346 1.197 1.00 0.00 C ATOM 1893 NH1 ARG A 56 11.543 1.982 0.878 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.130 1.193 2.452 1.00 0.00 N ATOM 0 H ARG A 56 9.472 -2.246 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 56 7.630 -0.164 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.637 -0.219 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.727 1.268 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.126 0.380 -1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.273 -0.917 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.086 0.831 -1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.862 2.078 -1.471 1.00 0.00 H new ATOM 0 HE ARG A 56 8.829 0.354 0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.796 2.101 -0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.145 2.361 1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.277 0.694 2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.733 1.572 3.182 1.00 0.00 H new ATOM 1908 N LYS A 57 8.236 0.674 -6.479 1.00 0.00 N ATOM 1909 CA LYS A 57 8.487 1.073 -7.899 1.00 0.00 C ATOM 1910 C LYS A 57 9.952 1.489 -8.077 1.00 0.00 C ATOM 1911 O LYS A 57 10.572 1.997 -7.163 1.00 0.00 O ATOM 1912 CB LYS A 57 7.590 2.274 -8.218 1.00 0.00 C ATOM 1913 CG LYS A 57 7.581 2.537 -9.723 1.00 0.00 C ATOM 1914 CD LYS A 57 7.059 3.945 -9.999 1.00 0.00 C ATOM 1915 CE LYS A 57 5.705 4.156 -9.312 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.010 5.322 -9.930 1.00 0.00 N ATOM 0 H LYS A 57 7.424 1.120 -6.051 1.00 0.00 H new ATOM 0 HA LYS A 57 8.272 0.236 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.575 2.083 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.949 3.157 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.587 2.427 -10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.953 1.801 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.776 4.683 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.957 4.098 -11.073 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.092 3.260 -9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.849 4.329 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.107 5.486 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.609 6.168 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.829 5.126 -10.935 1.00 0.00 H new ATOM 1930 N VAL A 58 10.509 1.286 -9.254 1.00 0.00 N ATOM 1931 CA VAL A 58 11.933 1.681 -9.495 1.00 0.00 C ATOM 1932 C VAL A 58 12.160 3.082 -8.916 1.00 0.00 C ATOM 1933 O VAL A 58 11.225 3.841 -8.754 1.00 0.00 O ATOM 1934 CB VAL A 58 12.215 1.692 -11.006 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.158 2.525 -11.730 1.00 0.00 C ATOM 1936 CG2 VAL A 58 13.594 2.297 -11.276 1.00 0.00 C ATOM 0 H VAL A 58 10.037 0.865 -10.054 1.00 0.00 H new ATOM 0 HA VAL A 58 12.604 0.969 -9.014 1.00 0.00 H new ATOM 0 HB VAL A 58 12.186 0.666 -11.372 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.366 2.527 -12.800 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.172 2.095 -11.553 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.181 3.548 -11.354 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.786 2.301 -12.349 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.623 3.319 -10.898 1.00 0.00 H new ATOM 0 HG23 VAL A 58 14.357 1.703 -10.773 1.00 0.00 H new ATOM 1946 N SER A 59 13.375 3.437 -8.586 1.00 0.00 N ATOM 1947 CA SER A 59 13.615 4.798 -8.003 1.00 0.00 C ATOM 1948 C SER A 59 13.889 5.804 -9.129 1.00 0.00 C ATOM 1949 O SER A 59 14.381 5.451 -10.183 1.00 0.00 O ATOM 1950 CB SER A 59 14.813 4.742 -7.053 1.00 0.00 C ATOM 1951 OG SER A 59 15.973 4.371 -7.784 1.00 0.00 O ATOM 0 H SER A 59 14.205 2.853 -8.692 1.00 0.00 H new ATOM 0 HA SER A 59 12.731 5.116 -7.450 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.962 5.712 -6.579 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.626 4.023 -6.255 1.00 0.00 H new ATOM 0 HG SER A 59 16.743 4.336 -7.179 1.00 0.00 H new ATOM 1957 N SER A 60 13.571 7.056 -8.916 1.00 0.00 N ATOM 1958 CA SER A 60 13.814 8.082 -9.975 1.00 0.00 C ATOM 1959 C SER A 60 13.772 9.481 -9.350 1.00 0.00 C ATOM 1960 O SER A 60 13.082 9.703 -8.374 1.00 0.00 O ATOM 1961 CB SER A 60 12.729 7.972 -11.045 1.00 0.00 C ATOM 1962 OG SER A 60 13.087 8.782 -12.159 1.00 0.00 O ATOM 0 H SER A 60 13.154 7.412 -8.056 1.00 0.00 H new ATOM 0 HA SER A 60 14.792 7.915 -10.427 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.613 6.934 -11.357 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.769 8.292 -10.641 1.00 0.00 H new ATOM 0 HG SER A 60 12.395 8.713 -12.849 1.00 0.00 H new ATOM 1968 N LYS A 61 14.488 10.434 -9.898 1.00 0.00 N ATOM 1969 CA LYS A 61 14.450 11.804 -9.306 1.00 0.00 C ATOM 1970 C LYS A 61 15.162 12.814 -10.215 1.00 0.00 C ATOM 1971 O LYS A 61 14.625 13.858 -10.529 1.00 0.00 O ATOM 1972 CB LYS A 61 15.132 11.782 -7.939 1.00 0.00 C ATOM 1973 CG LYS A 61 15.089 13.180 -7.323 1.00 0.00 C ATOM 1974 CD LYS A 61 15.435 13.097 -5.834 1.00 0.00 C ATOM 1975 CE LYS A 61 16.867 12.591 -5.656 1.00 0.00 C ATOM 1976 NZ LYS A 61 17.301 12.845 -4.256 1.00 0.00 N ATOM 0 H LYS A 61 15.087 10.324 -10.716 1.00 0.00 H new ATOM 0 HA LYS A 61 13.409 12.108 -9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.632 11.069 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.165 11.450 -8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.794 13.835 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.098 13.615 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.328 14.078 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.739 12.428 -5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.920 11.525 -5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 61 17.534 13.096 -6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.275 12.503 -4.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.264 13.866 -4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.669 12.344 -3.600 1.00 0.00 H new ATOM 1990 N GLY A 62 16.367 12.526 -10.629 1.00 0.00 N ATOM 1991 CA GLY A 62 17.098 13.490 -11.506 1.00 0.00 C ATOM 1992 C GLY A 62 16.559 13.386 -12.927 1.00 0.00 C ATOM 1993 O GLY A 62 17.056 12.631 -13.739 1.00 0.00 O ATOM 0 H GLY A 62 16.875 11.671 -10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 62 16.974 14.506 -11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.166 13.273 -11.493 1.00 0.00 H new ATOM 1997 N LYS A 63 15.537 14.134 -13.231 1.00 0.00 N ATOM 1998 CA LYS A 63 14.950 14.077 -14.596 1.00 0.00 C ATOM 1999 C LYS A 63 15.921 14.700 -15.605 1.00 0.00 C ATOM 2000 O LYS A 63 16.139 14.171 -16.679 1.00 0.00 O ATOM 2001 CB LYS A 63 13.636 14.859 -14.591 1.00 0.00 C ATOM 2002 CG LYS A 63 12.621 14.148 -13.691 1.00 0.00 C ATOM 2003 CD LYS A 63 11.306 14.933 -13.686 1.00 0.00 C ATOM 2004 CE LYS A 63 10.283 14.233 -12.788 1.00 0.00 C ATOM 2005 NZ LYS A 63 9.873 12.937 -13.404 1.00 0.00 N ATOM 0 H LYS A 63 15.082 14.784 -12.590 1.00 0.00 H new ATOM 0 HA LYS A 63 14.767 13.041 -14.881 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.806 15.874 -14.233 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.245 14.940 -15.605 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.450 13.133 -14.049 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.012 14.067 -12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.480 15.948 -13.330 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.917 15.013 -14.701 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.711 14.058 -11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.411 14.872 -12.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.010 12.589 -12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.687 13.078 -14.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.635 12.240 -13.285 1.00 0.00 H new ATOM 2019 N LYS A 64 16.516 15.812 -15.268 1.00 0.00 N ATOM 2020 CA LYS A 64 17.482 16.453 -16.208 1.00 0.00 C ATOM 2021 C LYS A 64 18.327 17.480 -15.452 1.00 0.00 C ATOM 2022 O LYS A 64 17.867 18.555 -15.120 1.00 0.00 O ATOM 2023 CB LYS A 64 16.716 17.142 -17.338 1.00 0.00 C ATOM 2024 CG LYS A 64 17.701 17.744 -18.342 1.00 0.00 C ATOM 2025 CD LYS A 64 16.928 18.258 -19.555 1.00 0.00 C ATOM 2026 CE LYS A 64 17.864 19.079 -20.445 1.00 0.00 C ATOM 2027 NZ LYS A 64 19.046 18.250 -20.813 1.00 0.00 N ATOM 0 H LYS A 64 16.376 16.304 -14.385 1.00 0.00 H new ATOM 0 HA LYS A 64 18.137 15.692 -16.631 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.066 16.425 -17.839 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.075 17.924 -16.931 1.00 0.00 H new ATOM 0 HG2 LYS A 64 18.259 18.558 -17.879 1.00 0.00 H new ATOM 0 HG3 LYS A 64 18.429 16.994 -18.651 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.515 17.421 -20.118 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.087 18.871 -19.231 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.339 19.403 -21.343 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.186 19.979 -19.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.530 18.678 -21.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.701 18.203 -20.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.733 17.290 -21.062 1.00 0.00 H new ATOM 2041 N ARG A 65 19.565 17.157 -15.182 1.00 0.00 N ATOM 2042 CA ARG A 65 20.452 18.105 -14.452 1.00 0.00 C ATOM 2043 C ARG A 65 21.901 17.864 -14.878 1.00 0.00 C ATOM 2044 O ARG A 65 22.239 16.818 -15.397 1.00 0.00 O ATOM 2045 CB ARG A 65 20.306 17.887 -12.941 1.00 0.00 C ATOM 2046 CG ARG A 65 20.721 16.460 -12.563 1.00 0.00 C ATOM 2047 CD ARG A 65 20.609 16.289 -11.045 1.00 0.00 C ATOM 2048 NE ARG A 65 19.198 16.513 -10.623 1.00 0.00 N ATOM 2049 CZ ARG A 65 18.818 16.165 -9.425 1.00 0.00 C ATOM 2050 NH1 ARG A 65 19.680 15.643 -8.596 1.00 0.00 N ATOM 2051 NH2 ARG A 65 17.580 16.339 -9.058 1.00 0.00 N ATOM 0 H ARG A 65 20.000 16.271 -15.438 1.00 0.00 H new ATOM 0 HA ARG A 65 20.171 19.131 -14.689 1.00 0.00 H new ATOM 0 HB2 ARG A 65 20.923 18.606 -12.402 1.00 0.00 H new ATOM 0 HB3 ARG A 65 19.273 18.064 -12.640 1.00 0.00 H new ATOM 0 HG2 ARG A 65 20.083 15.736 -13.071 1.00 0.00 H new ATOM 0 HG3 ARG A 65 21.743 16.267 -12.888 1.00 0.00 H new ATOM 0 HD2 ARG A 65 20.932 15.289 -10.756 1.00 0.00 H new ATOM 0 HD3 ARG A 65 21.268 16.995 -10.539 1.00 0.00 H new ATOM 0 HE ARG A 65 18.532 16.937 -11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.649 15.508 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.385 15.370 -7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.908 16.747 -9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.283 16.067 -8.121 1.00 0.00 H new ATOM 2065 N ARG A 66 22.760 18.819 -14.668 1.00 0.00 N ATOM 2066 CA ARG A 66 24.184 18.637 -15.064 1.00 0.00 C ATOM 2067 C ARG A 66 24.899 17.778 -14.020 1.00 0.00 C ATOM 2068 O ARG A 66 25.768 17.014 -14.405 1.00 0.00 O ATOM 2069 CB ARG A 66 24.868 20.003 -15.168 1.00 0.00 C ATOM 2070 CG ARG A 66 26.269 19.825 -15.754 1.00 0.00 C ATOM 2071 CD ARG A 66 26.954 21.188 -15.890 1.00 0.00 C ATOM 2072 NE ARG A 66 26.324 21.952 -17.004 1.00 0.00 N ATOM 2073 CZ ARG A 66 26.570 23.227 -17.134 1.00 0.00 C ATOM 2074 NH1 ARG A 66 27.384 23.816 -16.302 1.00 0.00 N ATOM 2075 NH2 ARG A 66 26.015 23.909 -18.101 1.00 0.00 N ATOM 2076 OXT ARG A 66 24.562 17.895 -12.853 1.00 0.00 O ATOM 0 H ARG A 66 22.539 19.718 -14.240 1.00 0.00 H new ATOM 0 HA ARG A 66 24.230 18.139 -16.033 1.00 0.00 H new ATOM 0 HB2 ARG A 66 24.280 20.670 -15.799 1.00 0.00 H new ATOM 0 HB3 ARG A 66 24.930 20.467 -14.184 1.00 0.00 H new ATOM 0 HG2 ARG A 66 26.861 19.173 -15.112 1.00 0.00 H new ATOM 0 HG3 ARG A 66 26.206 19.341 -16.729 1.00 0.00 H new ATOM 0 HD2 ARG A 66 26.867 21.746 -14.957 1.00 0.00 H new ATOM 0 HD3 ARG A 66 28.018 21.054 -16.083 1.00 0.00 H new ATOM 0 HE ARG A 66 25.703 21.480 -17.662 1.00 0.00 H new ATOM 0 HH11 ARG A 66 27.825 23.280 -15.554 1.00 0.00 H new ATOM 0 HH12 ARG A 66 27.580 24.812 -16.399 1.00 0.00 H new ATOM 0 HH21 ARG A 66 25.387 23.445 -18.757 1.00 0.00 H new ATOM 0 HH22 ARG A 66 26.210 24.905 -18.199 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -12.109 2.882 2.049 1.00 0.00 ZN