USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 913 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 SER OG : rot 133:sc= -1.65 USER MOD Set 1.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 THR OG1 : rot -128:sc= -0.53 USER MOD Set 2.2: A 29 ASN : amide:sc= -6.31! C(o=-9.9!,f=-11!) USER MOD Set 2.3: C 125 DT C7 :methyl 150:sc= -3.06! (180deg=-0.696) USER MOD Set 3.1: A 12 THR OG1 : rot -113:sc= 0.00304 USER MOD Set 3.2: A 14 THR OG1 : rot -155:sc= 1.06 USER MOD Single : A 1 LYS N :NH3+ -156:sc= -0.128 (180deg=-0.82) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 40:sc= -2.31! USER MOD Single : A 8 SER OG : rot 80:sc= 0.933 USER MOD Single : A 9 ASN : amide:sc= -3.31! C(o=-3.3!,f=-3.1!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -135:sc= 0.672 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-7.1!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 41 ASN : amide:sc= -1.66! C(o=-1.7!,f=-6.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -170:sc= -0.144 (180deg=-0.26) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc=-0.00635 (180deg=-0.306) USER MOD Single : A 52 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.002) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 55 ASN : amide:sc= -0.0899 K(o=-0.09,f=-2.1!) USER MOD Single : A 57 LYS NZ :NH3+ -118:sc= 2.24 (180deg=-0.434) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0147 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+ -175:sc= 0 (180deg=-0.0338) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 DG O5' : rot 76:sc= -0.467! USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.325 (180deg=-0.85) USER MOD Single : B 103 DT C7 :methyl -30:sc= -1.43! (180deg=-1.59!) USER MOD Single : B 109 DT C7 :methyl -30:sc= -2.19! (180deg=-2.43) USER MOD Single : B 115 DT C7 :methyl -30:sc= -0.0684 (180deg=-0.473) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.816 (180deg=-0.816) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 83:sc= -1.94! USER MOD Single : C 119 DT C7 :methyl -30:sc= -0.263 (180deg=-0.897) USER MOD Single : C 121 DT C7 :methyl 150:sc= -1.07 (180deg=-1.07) USER MOD Single : C 122 DT C7 :methyl 150:sc= -1.11 (180deg=-1.11) USER MOD Single : C 123 DT C7 :methyl -30:sc= -1.68 (180deg=-4.79!) USER MOD Single : C 127 DT C7 :methyl -30:sc= -0.765 (180deg=-1.03) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 18.482 22.966 8.911 1.00 0.00 O ATOM 2 C5' DG B 101 19.100 22.452 10.093 1.00 0.00 C ATOM 3 C4' DG B 101 18.188 21.460 10.820 1.00 0.00 C ATOM 4 O4' DG B 101 17.019 22.151 11.318 1.00 0.00 O ATOM 5 C3' DG B 101 17.704 20.338 9.895 1.00 0.00 C ATOM 6 O3' DG B 101 17.844 19.069 10.545 1.00 0.00 O ATOM 7 C2' DG B 101 16.251 20.640 9.622 1.00 0.00 C ATOM 8 C1' DG B 101 15.836 21.738 10.595 1.00 0.00 C ATOM 9 N9 DG B 101 15.236 22.886 9.882 1.00 0.00 N ATOM 10 C8 DG B 101 15.710 23.575 8.803 1.00 0.00 C ATOM 11 N7 DG B 101 14.960 24.556 8.399 1.00 0.00 N ATOM 12 C5 DG B 101 13.885 24.522 9.285 1.00 0.00 C ATOM 13 C6 DG B 101 12.734 25.355 9.353 1.00 0.00 C ATOM 14 O6 DG B 101 12.432 26.298 8.627 1.00 0.00 O ATOM 15 N1 DG B 101 11.900 24.987 10.400 1.00 0.00 N ATOM 16 C2 DG B 101 12.133 23.942 11.270 1.00 0.00 C ATOM 17 N2 DG B 101 11.205 23.735 12.204 1.00 0.00 N ATOM 18 N3 DG B 101 13.214 23.155 11.209 1.00 0.00 N ATOM 19 C4 DG B 101 14.044 23.502 10.197 1.00 0.00 C ATOM 0 H5' DG B 101 19.349 23.276 10.762 1.00 0.00 H new ATOM 0 H5'' DG B 101 20.037 21.961 9.830 1.00 0.00 H new ATOM 0 H4' DG B 101 18.772 21.025 11.631 1.00 0.00 H new ATOM 0 H3' DG B 101 18.282 20.289 8.972 1.00 0.00 H new ATOM 0 H2' DG B 101 16.111 20.965 8.591 1.00 0.00 H new ATOM 0 H2'' DG B 101 15.639 19.749 9.761 1.00 0.00 H new ATOM 0 HO5' DG B 101 17.808 23.633 9.158 1.00 0.00 H new ATOM 0 H1' DG B 101 15.079 21.360 11.282 1.00 0.00 H new ATOM 0 H8 DG B 101 16.642 23.323 8.320 1.00 0.00 H new ATOM 0 H1 DG B 101 11.049 25.532 10.537 1.00 0.00 H new ATOM 0 H21 DG B 101 11.319 22.977 12.877 1.00 0.00 H new ATOM 0 H22 DG B 101 10.381 24.334 12.245 1.00 0.00 H new ATOM 32 P DT B 102 17.349 17.706 9.839 1.00 0.00 P ATOM 33 OP1 DT B 102 18.121 16.584 10.419 1.00 0.00 O ATOM 34 OP2 DT B 102 17.343 17.917 8.375 1.00 0.00 O ATOM 35 O5' DT B 102 15.821 17.575 10.341 1.00 0.00 O ATOM 36 C5' DT B 102 15.545 17.482 11.741 1.00 0.00 C ATOM 37 C4' DT B 102 14.046 17.363 12.053 1.00 0.00 C ATOM 38 O4' DT B 102 13.363 18.615 11.789 1.00 0.00 O ATOM 39 C3' DT B 102 13.352 16.272 11.225 1.00 0.00 C ATOM 40 O3' DT B 102 12.781 15.289 12.096 1.00 0.00 O ATOM 41 C2' DT B 102 12.258 16.973 10.454 1.00 0.00 C ATOM 42 C1' DT B 102 12.147 18.375 11.042 1.00 0.00 C ATOM 43 N1 DT B 102 11.948 19.422 9.994 1.00 0.00 N ATOM 44 C2 DT B 102 10.829 20.246 10.090 1.00 0.00 C ATOM 45 O2 DT B 102 9.997 20.115 10.985 1.00 0.00 O ATOM 46 N3 DT B 102 10.705 21.225 9.120 1.00 0.00 N ATOM 47 C4 DT B 102 11.584 21.449 8.074 1.00 0.00 C ATOM 48 O4 DT B 102 11.382 22.351 7.267 1.00 0.00 O ATOM 49 C5 DT B 102 12.710 20.545 8.048 1.00 0.00 C ATOM 50 C7 DT B 102 13.733 20.671 6.917 1.00 0.00 C ATOM 51 C6 DT B 102 12.856 19.583 8.989 1.00 0.00 C ATOM 0 H5' DT B 102 15.946 18.362 12.243 1.00 0.00 H new ATOM 0 H5'' DT B 102 16.065 16.616 12.151 1.00 0.00 H new ATOM 0 H4' DT B 102 13.985 17.100 13.109 1.00 0.00 H new ATOM 0 H3' DT B 102 14.051 15.763 10.561 1.00 0.00 H new ATOM 0 H2' DT B 102 12.498 17.015 9.392 1.00 0.00 H new ATOM 0 H2'' DT B 102 11.313 16.437 10.546 1.00 0.00 H new ATOM 0 H1' DT B 102 11.269 18.435 11.685 1.00 0.00 H new ATOM 0 H3 DT B 102 9.892 21.838 9.181 1.00 0.00 H new ATOM 0 H71 DT B 102 13.240 21.046 6.020 1.00 0.00 H new ATOM 0 H72 DT B 102 14.521 21.363 7.215 1.00 0.00 H new ATOM 0 H73 DT B 102 14.168 19.693 6.709 1.00 0.00 H new ATOM 0 H6 DT B 102 13.713 18.927 8.943 1.00 0.00 H new ATOM 64 P DT B 103 11.983 14.013 11.520 1.00 0.00 P ATOM 65 OP1 DT B 103 12.065 12.925 12.519 1.00 0.00 O ATOM 66 OP2 DT B 103 12.427 13.776 10.128 1.00 0.00 O ATOM 67 O5' DT B 103 10.461 14.553 11.483 1.00 0.00 O ATOM 68 C5' DT B 103 9.843 14.977 12.703 1.00 0.00 C ATOM 69 C4' DT B 103 8.404 15.481 12.514 1.00 0.00 C ATOM 70 O4' DT B 103 8.404 16.744 11.814 1.00 0.00 O ATOM 71 C3' DT B 103 7.518 14.503 11.725 1.00 0.00 C ATOM 72 O3' DT B 103 6.406 14.099 12.531 1.00 0.00 O ATOM 73 C2' DT B 103 7.023 15.280 10.524 1.00 0.00 C ATOM 74 C1' DT B 103 7.422 16.737 10.757 1.00 0.00 C ATOM 75 N1 DT B 103 7.980 17.363 9.527 1.00 0.00 N ATOM 76 C2 DT B 103 7.356 18.494 9.018 1.00 0.00 C ATOM 77 O2 DT B 103 6.343 18.967 9.530 1.00 0.00 O ATOM 78 N3 DT B 103 7.940 19.061 7.902 1.00 0.00 N ATOM 79 C4 DT B 103 9.072 18.604 7.254 1.00 0.00 C ATOM 80 O4 DT B 103 9.511 19.194 6.269 1.00 0.00 O ATOM 81 C5 DT B 103 9.650 17.419 7.843 1.00 0.00 C ATOM 82 C7 DT B 103 10.892 16.800 7.190 1.00 0.00 C ATOM 83 C6 DT B 103 9.097 16.850 8.940 1.00 0.00 C ATOM 0 H5' DT B 103 10.443 15.771 13.149 1.00 0.00 H new ATOM 0 H5'' DT B 103 9.839 14.146 13.408 1.00 0.00 H new ATOM 0 H4' DT B 103 7.991 15.584 13.517 1.00 0.00 H new ATOM 0 H3' DT B 103 8.064 13.606 11.433 1.00 0.00 H new ATOM 0 H2' DT B 103 7.467 14.898 9.605 1.00 0.00 H new ATOM 0 H2'' DT B 103 5.942 15.186 10.419 1.00 0.00 H new ATOM 0 H1' DT B 103 6.543 17.321 11.029 1.00 0.00 H new ATOM 0 H3 DT B 103 7.494 19.895 7.520 1.00 0.00 H new ATOM 0 H71 DT B 103 10.875 16.995 6.118 1.00 0.00 H new ATOM 0 H72 DT B 103 11.789 17.240 7.625 1.00 0.00 H new ATOM 0 H73 DT B 103 10.896 15.724 7.363 1.00 0.00 H new ATOM 0 H6 DT B 103 9.553 15.966 9.361 1.00 0.00 H new ATOM 96 P DG B 104 5.387 12.947 12.049 1.00 0.00 P ATOM 97 OP1 DG B 104 4.744 12.368 13.250 1.00 0.00 O ATOM 98 OP2 DG B 104 6.098 12.065 11.097 1.00 0.00 O ATOM 99 O5' DG B 104 4.271 13.775 11.230 1.00 0.00 O ATOM 100 C5' DG B 104 3.506 14.797 11.873 1.00 0.00 C ATOM 101 C4' DG B 104 2.507 15.459 10.915 1.00 0.00 C ATOM 102 O4' DG B 104 3.214 16.257 9.927 1.00 0.00 O ATOM 103 C3' DG B 104 1.664 14.426 10.161 1.00 0.00 C ATOM 104 O3' DG B 104 0.271 14.718 10.335 1.00 0.00 O ATOM 105 C2' DG B 104 2.037 14.572 8.704 1.00 0.00 C ATOM 106 C1' DG B 104 2.858 15.845 8.584 1.00 0.00 C ATOM 107 N9 DG B 104 4.066 15.648 7.747 1.00 0.00 N ATOM 108 C8 DG B 104 5.054 14.710 7.858 1.00 0.00 C ATOM 109 N7 DG B 104 6.032 14.833 7.008 1.00 0.00 N ATOM 110 C5 DG B 104 5.666 15.947 6.253 1.00 0.00 C ATOM 111 C6 DG B 104 6.339 16.575 5.166 1.00 0.00 C ATOM 112 O6 DG B 104 7.417 16.273 4.654 1.00 0.00 O ATOM 113 N1 DG B 104 5.626 17.666 4.687 1.00 0.00 N ATOM 114 C2 DG B 104 4.418 18.104 5.188 1.00 0.00 C ATOM 115 N2 DG B 104 3.879 19.161 4.578 1.00 0.00 N ATOM 116 N3 DG B 104 3.784 17.520 6.211 1.00 0.00 N ATOM 117 C4 DG B 104 4.462 16.451 6.694 1.00 0.00 C ATOM 0 H5' DG B 104 4.179 15.555 12.275 1.00 0.00 H new ATOM 0 H5'' DG B 104 2.968 14.369 12.718 1.00 0.00 H new ATOM 0 H4' DG B 104 1.852 16.080 11.526 1.00 0.00 H new ATOM 0 H3' DG B 104 1.845 13.415 10.525 1.00 0.00 H new ATOM 0 H2' DG B 104 2.610 13.709 8.364 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.145 14.628 8.081 1.00 0.00 H new ATOM 0 H1' DG B 104 2.272 16.618 8.087 1.00 0.00 H new ATOM 0 H8 DG B 104 5.025 13.924 8.598 1.00 0.00 H new ATOM 0 H1 DG B 104 6.026 18.183 3.904 1.00 0.00 H new ATOM 0 H21 DG B 104 2.986 19.535 4.900 1.00 0.00 H new ATOM 0 H22 DG B 104 4.360 19.595 3.790 1.00 0.00 H new ATOM 129 P DC B 105 -0.867 13.802 9.657 1.00 0.00 P ATOM 130 OP1 DC B 105 -2.109 13.954 10.448 1.00 0.00 O ATOM 131 OP2 DC B 105 -0.299 12.454 9.433 1.00 0.00 O ATOM 132 O5' DC B 105 -1.100 14.496 8.220 1.00 0.00 O ATOM 133 C5' DC B 105 -1.556 15.851 8.137 1.00 0.00 C ATOM 134 C4' DC B 105 -1.715 16.322 6.684 1.00 0.00 C ATOM 135 O4' DC B 105 -0.426 16.492 6.044 1.00 0.00 O ATOM 136 C3' DC B 105 -2.529 15.335 5.838 1.00 0.00 C ATOM 137 O3' DC B 105 -3.660 16.000 5.270 1.00 0.00 O ATOM 138 C2' DC B 105 -1.598 14.870 4.741 1.00 0.00 C ATOM 139 C1' DC B 105 -0.417 15.829 4.757 1.00 0.00 C ATOM 140 N1 DC B 105 0.884 15.142 4.525 1.00 0.00 N ATOM 141 C2 DC B 105 1.676 15.574 3.463 1.00 0.00 C ATOM 142 O2 DC B 105 1.271 16.465 2.719 1.00 0.00 O ATOM 143 N3 DC B 105 2.891 14.993 3.281 1.00 0.00 N ATOM 144 C4 DC B 105 3.321 14.028 4.103 1.00 0.00 C ATOM 145 N4 DC B 105 4.519 13.484 3.898 1.00 0.00 N ATOM 146 C5 DC B 105 2.512 13.578 5.193 1.00 0.00 C ATOM 147 C6 DC B 105 1.308 14.159 5.361 1.00 0.00 C ATOM 0 H5' DC B 105 -0.850 16.502 8.653 1.00 0.00 H new ATOM 0 H5'' DC B 105 -2.511 15.943 8.654 1.00 0.00 H new ATOM 0 H4' DC B 105 -2.243 17.274 6.738 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.899 14.500 6.433 1.00 0.00 H new ATOM 0 H2' DC B 105 -1.271 13.845 4.916 1.00 0.00 H new ATOM 0 H2'' DC B 105 -2.099 14.884 3.773 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.520 16.544 3.941 1.00 0.00 H new ATOM 0 H41 DC B 105 4.858 12.748 4.518 1.00 0.00 H new ATOM 0 H42 DC B 105 5.098 13.803 3.121 1.00 0.00 H new ATOM 0 H5 DC B 105 2.854 12.799 5.859 1.00 0.00 H new ATOM 0 H6 DC B 105 0.671 13.839 6.172 1.00 0.00 H new ATOM 159 P DA B 106 -4.698 15.207 4.331 1.00 0.00 P ATOM 160 OP1 DA B 106 -6.038 15.805 4.525 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.500 13.757 4.543 1.00 0.00 O ATOM 162 O5' DA B 106 -4.197 15.571 2.838 1.00 0.00 O ATOM 163 C5' DA B 106 -4.163 16.936 2.401 1.00 0.00 C ATOM 164 C4' DA B 106 -3.658 17.078 0.955 1.00 0.00 C ATOM 165 O4' DA B 106 -2.238 16.807 0.849 1.00 0.00 O ATOM 166 C3' DA B 106 -4.399 16.126 0.010 1.00 0.00 C ATOM 167 O3' DA B 106 -5.075 16.849 -1.009 1.00 0.00 O ATOM 168 C2' DA B 106 -3.323 15.261 -0.621 1.00 0.00 C ATOM 169 C1' DA B 106 -1.977 15.836 -0.193 1.00 0.00 C ATOM 170 N9 DA B 106 -1.090 14.783 0.308 1.00 0.00 N ATOM 171 C8 DA B 106 -1.326 13.940 1.325 1.00 0.00 C ATOM 172 N7 DA B 106 -0.351 13.142 1.633 1.00 0.00 N ATOM 173 C5 DA B 106 0.634 13.487 0.709 1.00 0.00 C ATOM 174 C6 DA B 106 1.928 13.006 0.483 1.00 0.00 C ATOM 175 N6 DA B 106 2.479 12.030 1.204 1.00 0.00 N ATOM 176 N1 DA B 106 2.629 13.561 -0.518 1.00 0.00 N ATOM 177 C2 DA B 106 2.092 14.532 -1.256 1.00 0.00 C ATOM 178 N3 DA B 106 0.875 15.066 -1.125 1.00 0.00 N ATOM 179 C4 DA B 106 0.194 14.487 -0.111 1.00 0.00 C ATOM 0 H5' DA B 106 -3.519 17.511 3.066 1.00 0.00 H new ATOM 0 H5'' DA B 106 -5.163 17.364 2.477 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.851 18.112 0.668 1.00 0.00 H new ATOM 0 H3' DA B 106 -5.146 15.542 0.548 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.421 14.226 -0.295 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.415 15.263 -1.707 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.478 16.299 -1.044 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.268 13.927 1.853 1.00 0.00 H new ATOM 0 H61 DA B 106 3.427 11.716 0.997 1.00 0.00 H new ATOM 0 H62 DA B 106 1.952 11.597 1.963 1.00 0.00 H new ATOM 0 H2 DA B 106 2.709 14.931 -2.047 1.00 0.00 H new ATOM 191 P DG B 107 -5.920 16.049 -2.113 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.941 16.960 -2.676 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.322 14.745 -1.539 1.00 0.00 O ATOM 194 O5' DG B 107 -4.799 15.789 -3.233 1.00 0.00 O ATOM 195 C5' DG B 107 -4.139 16.887 -3.859 1.00 0.00 C ATOM 196 C4' DG B 107 -3.094 16.408 -4.869 1.00 0.00 C ATOM 197 O4' DG B 107 -1.952 15.804 -4.203 1.00 0.00 O ATOM 198 C3' DG B 107 -3.685 15.369 -5.830 1.00 0.00 C ATOM 199 O3' DG B 107 -3.601 15.827 -7.182 1.00 0.00 O ATOM 200 C2' DG B 107 -2.836 14.133 -5.646 1.00 0.00 C ATOM 201 C1' DG B 107 -1.620 14.555 -4.850 1.00 0.00 C ATOM 202 N9 DG B 107 -1.207 13.510 -3.880 1.00 0.00 N ATOM 203 C8 DG B 107 -1.891 12.965 -2.815 1.00 0.00 C ATOM 204 N7 DG B 107 -1.244 12.080 -2.151 1.00 0.00 N ATOM 205 C5 DG B 107 -0.027 12.003 -2.796 1.00 0.00 C ATOM 206 C6 DG B 107 1.082 11.188 -2.495 1.00 0.00 C ATOM 207 O6 DG B 107 1.189 10.382 -1.584 1.00 0.00 O ATOM 208 N1 DG B 107 2.125 11.392 -3.380 1.00 0.00 N ATOM 209 C2 DG B 107 2.106 12.280 -4.434 1.00 0.00 C ATOM 210 N2 DG B 107 3.215 12.328 -5.178 1.00 0.00 N ATOM 211 N3 DG B 107 1.052 13.063 -4.724 1.00 0.00 N ATOM 212 C4 DG B 107 0.019 12.868 -3.859 1.00 0.00 C ATOM 0 H5' DG B 107 -3.658 17.505 -3.101 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.873 17.515 -4.363 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.775 17.290 -5.425 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.739 15.181 -5.624 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.392 13.356 -5.121 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.542 13.718 -6.610 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.760 14.690 -5.505 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.897 13.262 -2.559 1.00 0.00 H new ATOM 0 H1 DG B 107 2.974 10.843 -3.242 1.00 0.00 H new ATOM 0 H21 DG B 107 3.268 12.964 -5.974 1.00 0.00 H new ATOM 0 H22 DG B 107 4.008 11.729 -4.950 1.00 0.00 H new ATOM 224 P DA B 108 -4.152 14.926 -8.399 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.690 15.831 -9.438 1.00 0.00 O ATOM 226 OP2 DA B 108 -5.017 13.871 -7.825 1.00 0.00 O ATOM 227 O5' DA B 108 -2.824 14.218 -8.983 1.00 0.00 O ATOM 228 C5' DA B 108 -1.750 15.017 -9.489 1.00 0.00 C ATOM 229 C4' DA B 108 -0.572 14.176 -10.002 1.00 0.00 C ATOM 230 O4' DA B 108 0.130 13.536 -8.902 1.00 0.00 O ATOM 231 C3' DA B 108 -1.025 13.072 -10.964 1.00 0.00 C ATOM 232 O3' DA B 108 -0.218 13.116 -12.144 1.00 0.00 O ATOM 233 C2' DA B 108 -0.798 11.779 -10.227 1.00 0.00 C ATOM 234 C1' DA B 108 0.165 12.101 -9.101 1.00 0.00 C ATOM 235 N9 DA B 108 -0.183 11.381 -7.862 1.00 0.00 N ATOM 236 C8 DA B 108 -1.359 11.382 -7.170 1.00 0.00 C ATOM 237 N7 DA B 108 -1.343 10.731 -6.050 1.00 0.00 N ATOM 238 C5 DA B 108 -0.043 10.244 -5.991 1.00 0.00 C ATOM 239 C6 DA B 108 0.623 9.466 -5.050 1.00 0.00 C ATOM 240 N6 DA B 108 0.062 9.066 -3.924 1.00 0.00 N ATOM 241 N1 DA B 108 1.899 9.144 -5.293 1.00 0.00 N ATOM 242 C2 DA B 108 2.498 9.568 -6.396 1.00 0.00 C ATOM 243 N3 DA B 108 1.965 10.325 -7.359 1.00 0.00 N ATOM 244 C4 DA B 108 0.674 10.627 -7.086 1.00 0.00 C ATOM 0 H5' DA B 108 -1.398 15.685 -8.702 1.00 0.00 H new ATOM 0 H5'' DA B 108 -2.121 15.646 -10.298 1.00 0.00 H new ATOM 0 H4' DA B 108 0.084 14.870 -10.527 1.00 0.00 H new ATOM 0 H3' DA B 108 -2.067 13.183 -11.265 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.736 11.383 -9.837 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.383 11.020 -10.890 1.00 0.00 H new ATOM 0 H1' DA B 108 1.171 11.775 -9.365 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.241 11.890 -7.531 1.00 0.00 H new ATOM 0 H61 DA B 108 0.592 8.496 -3.265 1.00 0.00 H new ATOM 0 H62 DA B 108 -0.901 9.327 -3.713 1.00 0.00 H new ATOM 0 H2 DA B 108 3.527 9.270 -6.531 1.00 0.00 H new ATOM 256 P DT B 109 -0.425 12.091 -13.370 1.00 0.00 P ATOM 257 OP1 DT B 109 -0.126 12.812 -14.628 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.734 11.422 -13.198 1.00 0.00 O ATOM 259 O5' DT B 109 0.738 10.995 -13.134 1.00 0.00 O ATOM 260 C5' DT B 109 2.107 11.412 -13.127 1.00 0.00 C ATOM 261 C4' DT B 109 3.089 10.253 -12.890 1.00 0.00 C ATOM 262 O4' DT B 109 2.998 9.766 -11.529 1.00 0.00 O ATOM 263 C3' DT B 109 2.826 9.071 -13.837 1.00 0.00 C ATOM 264 O3' DT B 109 3.980 8.819 -14.637 1.00 0.00 O ATOM 265 C2' DT B 109 2.567 7.878 -12.944 1.00 0.00 C ATOM 266 C1' DT B 109 2.858 8.327 -11.517 1.00 0.00 C ATOM 267 N1 DT B 109 1.773 7.915 -10.590 1.00 0.00 N ATOM 268 C2 DT B 109 2.086 7.085 -9.522 1.00 0.00 C ATOM 269 O2 DT B 109 3.222 6.649 -9.344 1.00 0.00 O ATOM 270 N3 DT B 109 1.044 6.774 -8.670 1.00 0.00 N ATOM 271 C4 DT B 109 -0.261 7.211 -8.786 1.00 0.00 C ATOM 272 O4 DT B 109 -1.111 6.869 -7.967 1.00 0.00 O ATOM 273 C5 DT B 109 -0.497 8.067 -9.924 1.00 0.00 C ATOM 274 C7 DT B 109 -1.906 8.620 -10.155 1.00 0.00 C ATOM 275 C6 DT B 109 0.507 8.382 -10.773 1.00 0.00 C ATOM 0 H5' DT B 109 2.248 12.164 -12.351 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.340 11.889 -14.079 1.00 0.00 H new ATOM 0 H4' DT B 109 4.084 10.654 -13.083 1.00 0.00 H new ATOM 0 H3' DT B 109 1.989 9.274 -14.505 1.00 0.00 H new ATOM 0 H2' DT B 109 1.535 7.539 -13.040 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.205 7.040 -13.224 1.00 0.00 H new ATOM 0 H1' DT B 109 3.774 7.857 -11.161 1.00 0.00 H new ATOM 0 H3 DT B 109 1.259 6.164 -7.881 1.00 0.00 H new ATOM 0 H71 DT B 109 -2.642 7.915 -9.768 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.012 9.574 -9.639 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.069 8.765 -11.223 1.00 0.00 H new ATOM 0 H6 DT B 109 0.299 9.021 -11.619 1.00 0.00 H new ATOM 288 P DA B 110 3.942 7.767 -15.856 1.00 0.00 P ATOM 289 OP1 DA B 110 5.042 8.094 -16.789 1.00 0.00 O ATOM 290 OP2 DA B 110 2.550 7.688 -16.353 1.00 0.00 O ATOM 291 O5' DA B 110 4.299 6.381 -15.120 1.00 0.00 O ATOM 292 C5' DA B 110 5.543 6.238 -14.436 1.00 0.00 C ATOM 293 C4' DA B 110 5.696 4.859 -13.789 1.00 0.00 C ATOM 294 O4' DA B 110 4.751 4.722 -12.697 1.00 0.00 O ATOM 295 C3' DA B 110 5.424 3.716 -14.768 1.00 0.00 C ATOM 296 O3' DA B 110 6.496 2.770 -14.689 1.00 0.00 O ATOM 297 C2' DA B 110 4.128 3.084 -14.325 1.00 0.00 C ATOM 298 C1' DA B 110 3.820 3.633 -12.940 1.00 0.00 C ATOM 299 N9 DA B 110 2.416 4.106 -12.839 1.00 0.00 N ATOM 300 C8 DA B 110 1.714 4.938 -13.668 1.00 0.00 C ATOM 301 N7 DA B 110 0.489 5.180 -13.300 1.00 0.00 N ATOM 302 C5 DA B 110 0.358 4.444 -12.123 1.00 0.00 C ATOM 303 C6 DA B 110 -0.704 4.272 -11.221 1.00 0.00 C ATOM 304 N6 DA B 110 -1.882 4.883 -11.357 1.00 0.00 N ATOM 305 N1 DA B 110 -0.494 3.472 -10.158 1.00 0.00 N ATOM 306 C2 DA B 110 0.690 2.884 -9.989 1.00 0.00 C ATOM 307 N3 DA B 110 1.759 2.982 -10.778 1.00 0.00 N ATOM 308 C4 DA B 110 1.522 3.784 -11.836 1.00 0.00 C ATOM 0 H5' DA B 110 5.623 7.008 -13.668 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.361 6.400 -15.137 1.00 0.00 H new ATOM 0 H4' DA B 110 6.728 4.794 -13.445 1.00 0.00 H new ATOM 0 H3' DA B 110 5.354 4.062 -15.799 1.00 0.00 H new ATOM 0 H2' DA B 110 3.324 3.321 -15.022 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.217 1.998 -14.299 1.00 0.00 H new ATOM 0 H1' DA B 110 3.934 2.849 -12.191 1.00 0.00 H new ATOM 0 H8 DA B 110 2.145 5.363 -14.563 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.621 4.723 -10.673 1.00 0.00 H new ATOM 0 H62 DA B 110 -2.043 5.510 -12.145 1.00 0.00 H new ATOM 0 H2 DA B 110 0.795 2.258 -9.115 1.00 0.00 H new ATOM 320 P DA B 111 6.529 1.437 -15.591 1.00 0.00 P ATOM 321 OP1 DA B 111 7.938 1.138 -15.932 1.00 0.00 O ATOM 322 OP2 DA B 111 5.520 1.575 -16.664 1.00 0.00 O ATOM 323 O5' DA B 111 6.014 0.322 -14.549 1.00 0.00 O ATOM 324 C5' DA B 111 6.751 0.088 -13.344 1.00 0.00 C ATOM 325 C4' DA B 111 6.022 -0.862 -12.391 1.00 0.00 C ATOM 326 O4' DA B 111 4.777 -0.268 -11.947 1.00 0.00 O ATOM 327 C3' DA B 111 5.694 -2.212 -13.048 1.00 0.00 C ATOM 328 O3' DA B 111 6.300 -3.277 -12.318 1.00 0.00 O ATOM 329 C2' DA B 111 4.190 -2.347 -12.979 1.00 0.00 C ATOM 330 C1' DA B 111 3.677 -1.183 -12.143 1.00 0.00 C ATOM 331 N9 DA B 111 2.544 -0.519 -12.817 1.00 0.00 N ATOM 332 C8 DA B 111 2.495 0.042 -14.056 1.00 0.00 C ATOM 333 N7 DA B 111 1.349 0.555 -14.387 1.00 0.00 N ATOM 334 C5 DA B 111 0.560 0.311 -13.266 1.00 0.00 C ATOM 335 C6 DA B 111 -0.777 0.601 -12.964 1.00 0.00 C ATOM 336 N6 DA B 111 -1.594 1.241 -13.800 1.00 0.00 N ATOM 337 N1 DA B 111 -1.237 0.212 -11.764 1.00 0.00 N ATOM 338 C2 DA B 111 -0.436 -0.424 -10.911 1.00 0.00 C ATOM 339 N3 DA B 111 0.842 -0.746 -11.095 1.00 0.00 N ATOM 340 C4 DA B 111 1.277 -0.344 -12.305 1.00 0.00 C ATOM 0 H5' DA B 111 6.930 1.038 -12.840 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.727 -0.329 -13.593 1.00 0.00 H new ATOM 0 H4' DA B 111 6.695 -1.034 -11.551 1.00 0.00 H new ATOM 0 H3' DA B 111 6.065 -2.256 -14.072 1.00 0.00 H new ATOM 0 H2' DA B 111 3.755 -2.326 -13.978 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.908 -3.299 -12.529 1.00 0.00 H new ATOM 0 H1' DA B 111 3.310 -1.536 -11.179 1.00 0.00 H new ATOM 0 H8 DA B 111 3.349 0.059 -14.717 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.559 1.426 -13.528 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.254 1.546 -14.712 1.00 0.00 H new ATOM 0 H2 DA B 111 -0.872 -0.710 -9.965 1.00 0.00 H new ATOM 352 P DA B 112 6.129 -4.813 -12.777 1.00 0.00 P ATOM 353 OP1 DA B 112 7.236 -5.602 -12.193 1.00 0.00 O ATOM 354 OP2 DA B 112 5.892 -4.838 -14.239 1.00 0.00 O ATOM 355 O5' DA B 112 4.761 -5.228 -12.032 1.00 0.00 O ATOM 356 C5' DA B 112 4.683 -5.160 -10.609 1.00 0.00 C ATOM 357 C4' DA B 112 3.268 -5.439 -10.089 1.00 0.00 C ATOM 358 O4' DA B 112 2.346 -4.448 -10.620 1.00 0.00 O ATOM 359 C3' DA B 112 2.752 -6.816 -10.517 1.00 0.00 C ATOM 360 O3' DA B 112 2.166 -7.488 -9.392 1.00 0.00 O ATOM 361 C2' DA B 112 1.712 -6.545 -11.568 1.00 0.00 C ATOM 362 C1' DA B 112 1.307 -5.095 -11.393 1.00 0.00 C ATOM 363 N9 DA B 112 1.096 -4.436 -12.699 1.00 0.00 N ATOM 364 C8 DA B 112 1.918 -4.382 -13.791 1.00 0.00 C ATOM 365 N7 DA B 112 1.459 -3.691 -14.791 1.00 0.00 N ATOM 366 C5 DA B 112 0.223 -3.249 -14.327 1.00 0.00 C ATOM 367 C6 DA B 112 -0.780 -2.464 -14.904 1.00 0.00 C ATOM 368 N6 DA B 112 -0.676 -1.932 -16.122 1.00 0.00 N ATOM 369 N1 DA B 112 -1.880 -2.225 -14.167 1.00 0.00 N ATOM 370 C2 DA B 112 -1.981 -2.728 -12.934 1.00 0.00 C ATOM 371 N3 DA B 112 -1.091 -3.476 -12.298 1.00 0.00 N ATOM 372 C4 DA B 112 -0.005 -3.700 -13.058 1.00 0.00 C ATOM 0 H5' DA B 112 5.001 -4.172 -10.277 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.376 -5.881 -10.175 1.00 0.00 H new ATOM 0 H4' DA B 112 3.321 -5.400 -9.001 1.00 0.00 H new ATOM 0 H3' DA B 112 3.549 -7.455 -10.897 1.00 0.00 H new ATOM 0 H2' DA B 112 2.112 -6.720 -12.567 1.00 0.00 H new ATOM 0 H2'' DA B 112 0.854 -7.207 -11.448 1.00 0.00 H new ATOM 0 H1' DA B 112 0.355 -5.023 -10.867 1.00 0.00 H new ATOM 0 H8 DA B 112 2.877 -4.877 -13.820 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.437 -1.366 -16.498 1.00 0.00 H new ATOM 0 H62 DA B 112 0.164 -2.091 -16.678 1.00 0.00 H new ATOM 0 H2 DA B 112 -2.889 -2.500 -12.395 1.00 0.00 H new ATOM 384 P DC B 113 1.535 -8.963 -9.540 1.00 0.00 P ATOM 385 OP1 DC B 113 1.799 -9.697 -8.283 1.00 0.00 O ATOM 386 OP2 DC B 113 2.010 -9.529 -10.823 1.00 0.00 O ATOM 387 O5' DC B 113 -0.066 -8.744 -9.659 1.00 0.00 O ATOM 388 C5' DC B 113 -0.804 -8.128 -8.592 1.00 0.00 C ATOM 389 C4' DC B 113 -2.308 -8.015 -8.907 1.00 0.00 C ATOM 390 O4' DC B 113 -2.575 -7.023 -9.927 1.00 0.00 O ATOM 391 C3' DC B 113 -2.881 -9.358 -9.385 1.00 0.00 C ATOM 392 O3' DC B 113 -3.961 -9.787 -8.553 1.00 0.00 O ATOM 393 C2' DC B 113 -3.405 -9.094 -10.778 1.00 0.00 C ATOM 394 C1' DC B 113 -3.392 -7.589 -10.978 1.00 0.00 C ATOM 395 N1 DC B 113 -2.848 -7.211 -12.306 1.00 0.00 N ATOM 396 C2 DC B 113 -3.654 -6.483 -13.179 1.00 0.00 C ATOM 397 O2 DC B 113 -4.829 -6.262 -12.894 1.00 0.00 O ATOM 398 N3 DC B 113 -3.108 -6.039 -14.344 1.00 0.00 N ATOM 399 C4 DC B 113 -1.827 -6.294 -14.644 1.00 0.00 C ATOM 400 N4 DC B 113 -1.325 -5.842 -15.795 1.00 0.00 N ATOM 401 C5 DC B 113 -0.999 -7.046 -13.749 1.00 0.00 C ATOM 402 C6 DC B 113 -1.560 -7.488 -12.605 1.00 0.00 C ATOM 0 H5' DC B 113 -0.400 -7.134 -8.401 1.00 0.00 H new ATOM 0 H5'' DC B 113 -0.669 -8.708 -7.679 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.789 -7.714 -7.976 1.00 0.00 H new ATOM 0 H3' DC B 113 -2.121 -10.138 -9.355 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.783 -9.588 -11.524 1.00 0.00 H new ATOM 0 H2'' DC B 113 -4.414 -9.490 -10.892 1.00 0.00 H new ATOM 0 H1' DC B 113 -4.412 -7.207 -10.938 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.352 -6.029 -16.035 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.915 -5.309 -16.434 1.00 0.00 H new ATOM 0 H5 DC B 113 0.035 -7.251 -13.982 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.969 -8.074 -11.916 1.00 0.00 H new ATOM 414 P DA B 114 -4.710 -11.181 -8.858 1.00 0.00 P ATOM 415 OP1 DA B 114 -5.327 -11.662 -7.601 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.775 -12.055 -9.602 1.00 0.00 O ATOM 417 O5' DA B 114 -5.894 -10.736 -9.861 1.00 0.00 O ATOM 418 C5' DA B 114 -6.882 -9.790 -9.449 1.00 0.00 C ATOM 419 C4' DA B 114 -7.891 -9.479 -10.566 1.00 0.00 C ATOM 420 O4' DA B 114 -7.276 -8.698 -11.622 1.00 0.00 O ATOM 421 C3' DA B 114 -8.471 -10.751 -11.198 1.00 0.00 C ATOM 422 O3' DA B 114 -9.898 -10.748 -11.080 1.00 0.00 O ATOM 423 C2' DA B 114 -8.068 -10.702 -12.655 1.00 0.00 C ATOM 424 C1' DA B 114 -7.542 -9.298 -12.912 1.00 0.00 C ATOM 425 N9 DA B 114 -6.330 -9.318 -13.750 1.00 0.00 N ATOM 426 C8 DA B 114 -5.154 -9.940 -13.508 1.00 0.00 C ATOM 427 N7 DA B 114 -4.234 -9.762 -14.404 1.00 0.00 N ATOM 428 C5 DA B 114 -4.861 -8.942 -15.338 1.00 0.00 C ATOM 429 C6 DA B 114 -4.430 -8.382 -16.543 1.00 0.00 C ATOM 430 N6 DA B 114 -3.203 -8.557 -17.027 1.00 0.00 N ATOM 431 N1 DA B 114 -5.306 -7.622 -17.222 1.00 0.00 N ATOM 432 C2 DA B 114 -6.533 -7.424 -16.746 1.00 0.00 C ATOM 433 N3 DA B 114 -7.044 -7.906 -15.613 1.00 0.00 N ATOM 434 C4 DA B 114 -6.142 -8.666 -14.952 1.00 0.00 C ATOM 0 H5' DA B 114 -6.392 -8.868 -9.138 1.00 0.00 H new ATOM 0 H5'' DA B 114 -7.413 -10.178 -8.580 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.695 -8.915 -10.093 1.00 0.00 H new ATOM 0 H3' DA B 114 -8.103 -11.653 -10.708 1.00 0.00 H new ATOM 0 H2' DA B 114 -7.303 -11.448 -12.871 1.00 0.00 H new ATOM 0 H2'' DA B 114 -8.919 -10.921 -13.300 1.00 0.00 H new ATOM 0 H1' DA B 114 -8.280 -8.714 -13.462 1.00 0.00 H new ATOM 0 H8 DA B 114 -4.992 -10.544 -12.628 1.00 0.00 H new ATOM 0 H61 DA B 114 -2.938 -8.126 -17.913 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.528 -9.122 -16.512 1.00 0.00 H new ATOM 0 H2 DA B 114 -7.186 -6.805 -17.343 1.00 0.00 H new ATOM 446 P DT B 115 -10.792 -11.958 -11.653 1.00 0.00 P ATOM 447 OP1 DT B 115 -12.067 -11.983 -10.903 1.00 0.00 O ATOM 448 OP2 DT B 115 -9.947 -13.171 -11.711 1.00 0.00 O ATOM 449 O5' DT B 115 -11.102 -11.483 -13.167 1.00 0.00 O ATOM 450 C5' DT B 115 -11.806 -10.258 -13.395 1.00 0.00 C ATOM 451 C4' DT B 115 -11.896 -9.885 -14.884 1.00 0.00 C ATOM 452 O4' DT B 115 -10.597 -9.491 -15.392 1.00 0.00 O ATOM 453 C3' DT B 115 -12.407 -11.044 -15.758 1.00 0.00 C ATOM 454 O3' DT B 115 -13.663 -10.702 -16.351 1.00 0.00 O ATOM 455 C2' DT B 115 -11.374 -11.212 -16.852 1.00 0.00 C ATOM 456 C1' DT B 115 -10.401 -10.047 -16.709 1.00 0.00 C ATOM 457 N1 DT B 115 -8.989 -10.478 -16.925 1.00 0.00 N ATOM 458 C2 DT B 115 -8.270 -9.888 -17.958 1.00 0.00 C ATOM 459 O2 DT B 115 -8.760 -9.030 -18.688 1.00 0.00 O ATOM 460 N3 DT B 115 -6.968 -10.323 -18.120 1.00 0.00 N ATOM 461 C4 DT B 115 -6.329 -11.282 -17.355 1.00 0.00 C ATOM 462 O4 DT B 115 -5.163 -11.595 -17.588 1.00 0.00 O ATOM 463 C5 DT B 115 -7.151 -11.839 -16.305 1.00 0.00 C ATOM 464 C7 DT B 115 -6.565 -12.915 -15.392 1.00 0.00 C ATOM 465 C6 DT B 115 -8.426 -11.427 -16.128 1.00 0.00 C ATOM 0 H5' DT B 115 -11.308 -9.453 -12.854 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.813 -10.342 -12.986 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.606 -9.060 -14.941 1.00 0.00 H new ATOM 0 H3' DT B 115 -12.547 -11.952 -15.172 1.00 0.00 H new ATOM 0 H2' DT B 115 -10.855 -12.165 -16.753 1.00 0.00 H new ATOM 0 H2'' DT B 115 -11.845 -11.206 -17.835 1.00 0.00 H new ATOM 0 H1' DT B 115 -10.596 -9.292 -17.471 1.00 0.00 H new ATOM 0 H3 DT B 115 -6.428 -9.897 -18.874 1.00 0.00 H new ATOM 0 H71 DT B 115 -5.821 -13.492 -15.941 1.00 0.00 H new ATOM 0 H72 DT B 115 -6.095 -12.443 -14.529 1.00 0.00 H new ATOM 0 H73 DT B 115 -7.361 -13.578 -15.054 1.00 0.00 H new ATOM 0 H6 DT B 115 -9.014 -11.862 -15.333 1.00 0.00 H new ATOM 478 P DT B 116 -14.502 -11.782 -17.206 1.00 0.00 P ATOM 479 OP1 DT B 116 -15.925 -11.378 -17.180 1.00 0.00 O ATOM 480 OP2 DT B 116 -14.111 -13.137 -16.758 1.00 0.00 O ATOM 481 O5' DT B 116 -13.952 -11.569 -18.705 1.00 0.00 O ATOM 482 C5' DT B 116 -14.140 -10.326 -19.382 1.00 0.00 C ATOM 483 C4' DT B 116 -13.409 -10.296 -20.729 1.00 0.00 C ATOM 484 O4' DT B 116 -11.976 -10.367 -20.528 1.00 0.00 O ATOM 485 C3' DT B 116 -13.816 -11.466 -21.637 1.00 0.00 C ATOM 486 O3' DT B 116 -14.546 -10.993 -22.773 1.00 0.00 O ATOM 487 C2' DT B 116 -12.521 -12.118 -22.075 1.00 0.00 C ATOM 488 C1' DT B 116 -11.387 -11.312 -21.447 1.00 0.00 C ATOM 489 N1 DT B 116 -10.424 -12.209 -20.753 1.00 0.00 N ATOM 490 C2 DT B 116 -9.117 -12.250 -21.216 1.00 0.00 C ATOM 491 O2 DT B 116 -8.742 -11.572 -22.170 1.00 0.00 O ATOM 492 N3 DT B 116 -8.261 -13.095 -20.543 1.00 0.00 N ATOM 493 C4 DT B 116 -8.581 -13.892 -19.462 1.00 0.00 C ATOM 494 O4 DT B 116 -7.728 -14.614 -18.946 1.00 0.00 O ATOM 495 C5 DT B 116 -9.959 -13.787 -19.041 1.00 0.00 C ATOM 496 C7 DT B 116 -10.432 -14.611 -17.837 1.00 0.00 C ATOM 497 C6 DT B 116 -10.822 -12.965 -19.688 1.00 0.00 C ATOM 0 H5' DT B 116 -13.779 -9.512 -18.754 1.00 0.00 H new ATOM 0 H5'' DT B 116 -15.205 -10.157 -19.542 1.00 0.00 H new ATOM 0 H4' DT B 116 -13.688 -9.359 -21.210 1.00 0.00 H new ATOM 0 H3' DT B 116 -14.464 -12.169 -21.114 1.00 0.00 H new ATOM 0 H2' DT B 116 -12.482 -13.158 -21.750 1.00 0.00 H new ATOM 0 H2'' DT B 116 -12.438 -12.121 -23.162 1.00 0.00 H new ATOM 0 HO3' DT B 116 -14.795 -11.752 -23.341 1.00 0.00 H new ATOM 0 H1' DT B 116 -10.826 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DT C 121 -8.441 -2.047 -13.244 1.00 0.00 H new ATOM 0 H3 DT C 121 -4.134 -2.157 -14.306 1.00 0.00 H new ATOM 0 H71 DT C 121 -6.366 1.721 -17.306 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.186 2.417 -16.170 1.00 0.00 H new ATOM 0 H73 DT C 121 -4.645 1.286 -17.432 1.00 0.00 H new ATOM 0 H6 DT C 121 -7.727 0.773 -15.566 1.00 0.00 H new ATOM 671 P DT C 122 -11.389 0.859 -11.036 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.678 0.651 -10.338 1.00 0.00 O ATOM 673 OP2 DT C 122 -11.001 2.215 -11.481 1.00 0.00 O ATOM 674 O5' DT C 122 -10.216 0.279 -10.103 1.00 0.00 O ATOM 675 C5' DT C 122 -10.311 -1.048 -9.588 1.00 0.00 C ATOM 676 C4' DT C 122 -9.104 -1.420 -8.727 1.00 0.00 C ATOM 677 O4' DT C 122 -7.928 -1.571 -9.557 1.00 0.00 O ATOM 678 C3' DT C 122 -8.801 -0.354 -7.665 1.00 0.00 C ATOM 679 O3' DT C 122 -8.990 -0.882 -6.359 1.00 0.00 O ATOM 680 C2' DT C 122 -7.341 -0.005 -7.844 1.00 0.00 C ATOM 681 C1' DT C 122 -6.806 -0.875 -8.977 1.00 0.00 C ATOM 682 N1 DT C 122 -6.102 -0.042 -9.995 1.00 0.00 N ATOM 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ATOM 0 H73 DT C 122 -6.482 2.979 -13.310 1.00 0.00 H new ATOM 0 H6 DT C 122 -7.803 1.144 -10.438 1.00 0.00 H new ATOM 703 P DT C 123 -8.803 0.048 -5.060 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.592 -0.534 -3.955 1.00 0.00 O ATOM 705 OP2 DT C 123 -9.014 1.455 -5.462 1.00 0.00 O ATOM 706 O5' DT C 123 -7.245 -0.146 -4.727 1.00 0.00 O ATOM 707 C5' DT C 123 -6.746 -1.445 -4.433 1.00 0.00 C ATOM 708 C4' DT C 123 -5.245 -1.438 -4.143 1.00 0.00 C ATOM 709 O4' DT C 123 -4.500 -1.090 -5.345 1.00 0.00 O ATOM 710 C3' DT C 123 -4.845 -0.424 -3.065 1.00 0.00 C ATOM 711 O3' DT C 123 -4.025 -1.098 -2.103 1.00 0.00 O ATOM 712 C2' DT C 123 -4.072 0.649 -3.767 1.00 0.00 C ATOM 713 C1' DT C 123 -3.620 0.034 -5.077 1.00 0.00 C ATOM 714 N1 DT C 123 -3.616 1.021 -6.208 1.00 0.00 N ATOM 715 C2 DT C 123 -2.426 1.185 -6.913 1.00 0.00 C ATOM 716 O2 DT C 123 -1.405 0.569 -6.615 1.00 0.00 O ATOM 717 N3 DT C 123 -2.450 2.084 -7.965 1.00 0.00 N ATOM 718 C4 DT C 123 -3.541 2.828 -8.374 1.00 0.00 C ATOM 719 O4 DT C 123 -3.449 3.597 -9.328 1.00 0.00 O ATOM 720 C5 DT C 123 -4.738 2.604 -7.593 1.00 0.00 C ATOM 721 C7 DT C 123 -6.007 3.388 -7.949 1.00 0.00 C ATOM 722 C6 DT C 123 -4.744 1.726 -6.557 1.00 0.00 C ATOM 0 H5' DT C 123 -6.948 -2.108 -5.274 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.278 -1.850 -3.572 1.00 0.00 H new ATOM 0 H4' DT C 123 -5.010 -2.443 -3.793 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.702 0.006 -2.547 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.691 1.529 -3.940 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.219 0.972 -3.170 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.585 -0.298 -4.992 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.583 2.209 -8.487 1.00 0.00 H new ATOM 0 H71 DT C 123 -5.731 4.354 -8.371 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.589 2.826 -8.679 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.604 3.542 -7.050 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.654 1.578 -5.995 1.00 0.00 H new ATOM 735 P DA C 124 -3.394 -0.374 -0.809 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.374 -1.349 0.304 1.00 0.00 O ATOM 737 OP2 DA C 124 -4.070 0.930 -0.635 1.00 0.00 O ATOM 738 O5' DA C 124 -1.862 -0.094 -1.266 1.00 0.00 O ATOM 739 C5' DA C 124 -1.041 -1.220 -1.617 1.00 0.00 C ATOM 740 C4' DA C 124 0.416 -0.871 -1.970 1.00 0.00 C ATOM 741 O4' DA C 124 0.459 -0.069 -3.179 1.00 0.00 O ATOM 742 C3' DA C 124 1.103 -0.062 -0.863 1.00 0.00 C ATOM 743 O3' DA C 124 2.420 -0.565 -0.616 1.00 0.00 O ATOM 744 C2' DA C 124 1.180 1.345 -1.384 1.00 0.00 C ATOM 745 C1' DA C 124 0.956 1.257 -2.885 1.00 0.00 C ATOM 746 N9 DA C 124 0.020 2.291 -3.346 1.00 0.00 N ATOM 747 C8 DA C 124 -1.216 2.571 -2.883 1.00 0.00 C ATOM 748 N7 DA C 124 -1.845 3.522 -3.506 1.00 0.00 N ATOM 749 C5 DA C 124 -0.928 3.909 -4.482 1.00 0.00 C ATOM 750 C6 DA C 124 -0.964 4.880 -5.488 1.00 0.00 C ATOM 751 N6 DA C 124 -2.011 5.684 -5.683 1.00 0.00 N ATOM 752 N1 DA C 124 0.123 4.996 -6.276 1.00 0.00 N ATOM 753 C2 DA C 124 1.182 4.204 -6.079 1.00 0.00 C ATOM 754 N3 DA C 124 1.312 3.255 -5.159 1.00 0.00 N ATOM 755 C4 DA C 124 0.212 3.163 -4.390 1.00 0.00 C ATOM 0 H5' DA C 124 -1.494 -1.731 -2.467 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.040 -1.924 -0.785 1.00 0.00 H new ATOM 0 H4' DA C 124 0.937 -1.819 -2.101 1.00 0.00 H new ATOM 0 H3' DA C 124 0.554 -0.122 0.077 1.00 0.00 H new ATOM 0 H2' DA C 124 0.425 1.975 -0.914 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.150 1.790 -1.161 1.00 0.00 H new ATOM 0 H1' DA C 124 1.893 1.431 -3.414 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.653 2.040 -2.050 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.989 6.377 -6.431 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.833 5.605 -5.084 1.00 0.00 H new ATOM 0 H2 DA C 124 2.023 4.352 -6.740 1.00 0.00 H new ATOM 767 P DT C 125 3.360 0.112 0.505 1.00 0.00 P ATOM 768 OP1 DT C 125 4.350 -0.892 0.957 1.00 0.00 O ATOM 769 OP2 DT C 125 2.493 0.792 1.493 1.00 0.00 O ATOM 770 O5' DT C 125 4.136 1.239 -0.348 1.00 0.00 O ATOM 771 C5' DT C 125 5.014 0.832 -1.399 1.00 0.00 C ATOM 772 C4' DT C 125 5.595 2.008 -2.191 1.00 0.00 C ATOM 773 O4' DT C 125 4.592 2.647 -3.019 1.00 0.00 O ATOM 774 C3' DT C 125 6.197 3.091 -1.288 1.00 0.00 C ATOM 775 O3' DT C 125 7.600 3.188 -1.528 1.00 0.00 O ATOM 776 C2' DT C 125 5.519 4.375 -1.687 1.00 0.00 C ATOM 777 C1' DT C 125 4.787 4.078 -2.981 1.00 0.00 C ATOM 778 N1 DT C 125 3.495 4.813 -3.097 1.00 0.00 N ATOM 779 C2 DT C 125 3.306 5.639 -4.203 1.00 0.00 C ATOM 780 O2 DT C 125 4.188 5.819 -5.039 1.00 0.00 O ATOM 781 N3 DT C 125 2.071 6.248 -4.307 1.00 0.00 N ATOM 782 C4 DT C 125 1.020 6.105 -3.419 1.00 0.00 C ATOM 783 O4 DT C 125 -0.070 6.619 -3.640 1.00 0.00 O ATOM 784 C5 DT C 125 1.307 5.249 -2.300 1.00 0.00 C ATOM 785 C7 DT C 125 0.238 5.064 -1.230 1.00 0.00 C ATOM 786 C6 DT C 125 2.506 4.640 -2.173 1.00 0.00 C ATOM 0 H5' DT C 125 4.474 0.175 -2.081 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.832 0.249 -0.975 1.00 0.00 H new ATOM 0 H4' DT C 125 6.379 1.569 -2.808 1.00 0.00 H new ATOM 0 H3' DT C 125 6.052 2.869 -0.231 1.00 0.00 H new ATOM 0 H2' DT C 125 4.826 4.706 -0.914 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.247 5.174 -1.826 1.00 0.00 H new ATOM 0 H1' DT C 125 5.376 4.420 -3.832 1.00 0.00 H new ATOM 0 H3 DT C 125 1.920 6.858 -5.111 1.00 0.00 H new ATOM 0 H71 DT C 125 0.336 4.074 -0.785 1.00 0.00 H new ATOM 0 H72 DT C 125 0.361 5.823 -0.457 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.749 5.163 -1.681 1.00 0.00 H new ATOM 0 H6 DT C 125 2.686 4.002 -1.321 1.00 0.00 H new ATOM 799 P DC C 126 8.522 4.239 -0.731 1.00 0.00 P ATOM 800 OP1 DC C 126 9.887 3.678 -0.623 1.00 0.00 O ATOM 801 OP2 DC C 126 7.797 4.662 0.488 1.00 0.00 O ATOM 802 O5' DC C 126 8.562 5.490 -1.750 1.00 0.00 O ATOM 803 C5' DC C 126 9.096 5.306 -3.066 1.00 0.00 C ATOM 804 C4' DC C 126 9.065 6.585 -3.915 1.00 0.00 C ATOM 805 O4' DC C 126 7.702 6.934 -4.282 1.00 0.00 O ATOM 806 C3' DC C 126 9.680 7.778 -3.169 1.00 0.00 C ATOM 807 O3' DC C 126 10.825 8.267 -3.860 1.00 0.00 O ATOM 808 C2' DC C 126 8.610 8.850 -3.149 1.00 0.00 C ATOM 809 C1' DC C 126 7.413 8.308 -3.926 1.00 0.00 C ATOM 810 N1 DC C 126 6.181 8.393 -3.102 1.00 0.00 N ATOM 811 C2 DC C 126 5.099 9.144 -3.569 1.00 0.00 C ATOM 812 O2 DC C 126 5.176 9.755 -4.637 1.00 0.00 O ATOM 813 N3 DC C 126 3.978 9.193 -2.805 1.00 0.00 N ATOM 814 C4 DC C 126 3.911 8.540 -1.638 1.00 0.00 C ATOM 815 N4 DC C 126 2.806 8.626 -0.913 1.00 0.00 N ATOM 816 C5 DC C 126 5.010 7.770 -1.160 1.00 0.00 C ATOM 817 C6 DC C 126 6.116 7.729 -1.919 1.00 0.00 C ATOM 0 H5' DC C 126 8.530 4.526 -3.575 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.125 4.954 -2.988 1.00 0.00 H new ATOM 0 H4' DC C 126 9.652 6.376 -4.809 1.00 0.00 H new ATOM 0 H3' DC C 126 9.997 7.491 -2.166 1.00 0.00 H new ATOM 0 H2' DC C 126 8.326 9.091 -2.125 1.00 0.00 H new ATOM 0 H2'' DC C 126 8.979 9.770 -3.603 1.00 0.00 H new ATOM 0 H1' DC C 126 7.244 8.898 -4.827 1.00 0.00 H new ATOM 0 H41 DC C 126 2.741 8.134 -0.022 1.00 0.00 H new ATOM 0 H42 DC C 126 2.020 9.184 -1.246 1.00 0.00 H new ATOM 0 H5 DC C 126 4.955 7.239 -0.221 1.00 0.00 H new ATOM 0 H6 DC C 126 6.969 7.158 -1.583 1.00 0.00 H new ATOM 829 P DT C 127 11.793 9.352 -3.171 1.00 0.00 P ATOM 830 OP1 DT C 127 13.098 9.325 -3.868 1.00 0.00 O ATOM 831 OP2 DT C 127 11.733 9.157 -1.706 1.00 0.00 O ATOM 832 O5' DT C 127 11.061 10.740 -3.521 1.00 0.00 O ATOM 833 C5' DT C 127 10.856 11.125 -4.878 1.00 0.00 C ATOM 834 C4' DT C 127 9.950 12.352 -4.978 1.00 0.00 C ATOM 835 O4' DT C 127 8.591 12.018 -4.606 1.00 0.00 O ATOM 836 C3' DT C 127 10.423 13.480 -4.053 1.00 0.00 C ATOM 837 O3' DT C 127 10.920 14.568 -4.827 1.00 0.00 O ATOM 838 C2' DT C 127 9.200 13.904 -3.264 1.00 0.00 C ATOM 839 C1' DT C 127 8.038 13.056 -3.769 1.00 0.00 C ATOM 840 N1 DT C 127 7.253 12.479 -2.636 1.00 0.00 N ATOM 841 C2 DT C 127 5.905 12.810 -2.543 1.00 0.00 C ATOM 842 O2 DT C 127 5.368 13.579 -3.337 1.00 0.00 O ATOM 843 N3 DT C 127 5.204 12.234 -1.501 1.00 0.00 N ATOM 844 C4 DT C 127 5.714 11.367 -0.555 1.00 0.00 C ATOM 845 O4 DT C 127 4.990 10.907 0.325 1.00 0.00 O ATOM 846 C5 DT C 127 7.120 11.074 -0.717 1.00 0.00 C ATOM 847 C7 DT C 127 7.792 10.120 0.276 1.00 0.00 C ATOM 848 C6 DT C 127 7.835 11.626 -1.731 1.00 0.00 C ATOM 0 H5' DT C 127 10.412 10.297 -5.430 1.00 0.00 H new ATOM 0 H5'' DT C 127 11.817 11.341 -5.346 1.00 0.00 H new ATOM 0 H4' DT C 127 9.992 12.686 -6.015 1.00 0.00 H new ATOM 0 H3' DT C 127 11.229 13.156 -3.395 1.00 0.00 H new ATOM 0 H2' DT C 127 9.356 13.750 -2.196 1.00 0.00 H new ATOM 0 H2'' DT C 127 8.996 14.965 -3.407 1.00 0.00 H new ATOM 0 H1' DT C 127 7.343 13.671 -4.340 1.00 0.00 H new ATOM 0 H3 DT C 127 4.215 12.472 -1.423 1.00 0.00 H new ATOM 0 H71 DT C 127 7.296 10.194 1.244 1.00 0.00 H new ATOM 0 H72 DT C 127 7.716 9.097 -0.094 1.00 0.00 H new ATOM 0 H73 DT C 127 8.843 10.389 0.385 1.00 0.00 H new ATOM 0 H6 DT C 127 8.884 11.389 -1.828 1.00 0.00 H new ATOM 861 P DG C 128 11.564 15.860 -4.123 1.00 0.00 P ATOM 862 OP1 DG C 128 12.485 16.503 -5.087 1.00 0.00 O ATOM 863 OP2 DG C 128 12.055 15.459 -2.786 1.00 0.00 O ATOM 864 O5' DG C 128 10.294 16.823 -3.923 1.00 0.00 O ATOM 865 C5' DG C 128 9.546 17.259 -5.057 1.00 0.00 C ATOM 866 C4' DG C 128 8.381 18.164 -4.655 1.00 0.00 C ATOM 867 O4' DG C 128 7.378 17.402 -3.947 1.00 0.00 O ATOM 868 C3' DG C 128 8.839 19.311 -3.744 1.00 0.00 C ATOM 869 O3' DG C 128 8.548 20.562 -4.361 1.00 0.00 O ATOM 870 C2' DG C 128 8.054 19.158 -2.459 1.00 0.00 C ATOM 871 C1' DG C 128 7.074 18.010 -2.673 1.00 0.00 C ATOM 872 N9 DG C 128 7.180 17.025 -1.585 1.00 0.00 N ATOM 873 C8 DG C 128 8.271 16.337 -1.176 1.00 0.00 C ATOM 874 N7 DG C 128 8.080 15.532 -0.172 1.00 0.00 N ATOM 875 C5 DG C 128 6.727 15.703 0.115 1.00 0.00 C ATOM 876 C6 DG C 128 5.921 15.091 1.113 1.00 0.00 C ATOM 877 O6 DG C 128 6.252 14.258 1.955 1.00 0.00 O ATOM 878 N1 DG C 128 4.610 15.544 1.057 1.00 0.00 N ATOM 879 C2 DG C 128 4.131 16.470 0.155 1.00 0.00 C ATOM 880 N2 DG C 128 2.839 16.780 0.258 1.00 0.00 N ATOM 881 N3 DG C 128 4.884 17.048 -0.786 1.00 0.00 N ATOM 882 C4 DG C 128 6.167 16.619 -0.747 1.00 0.00 C ATOM 0 H5' DG C 128 9.164 16.392 -5.595 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.203 17.795 -5.742 1.00 0.00 H new ATOM 0 H4' DG C 128 7.971 18.581 -5.575 1.00 0.00 H new ATOM 0 H3' DG C 128 9.912 19.280 -3.557 1.00 0.00 H new ATOM 0 H2' DG C 128 8.720 18.946 -1.622 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.523 20.079 -2.219 1.00 0.00 H new ATOM 0 H1' DG C 128 6.050 18.383 -2.670 1.00 0.00 H new ATOM 0 H8 DG C 128 9.235 16.449 -1.651 1.00 0.00 H new ATOM 0 H1 DG C 128 3.951 15.162 1.735 1.00 0.00 H new ATOM 0 H21 DG C 128 2.425 17.459 -0.381 1.00 0.00 H new ATOM 0 H22 DG C 128 2.264 16.338 0.976 1.00 0.00 H new ATOM 894 P DC C 129 9.116 21.941 -3.758 1.00 0.00 P ATOM 895 OP1 DC C 129 9.180 22.933 -4.853 1.00 0.00 O ATOM 896 OP2 DC C 129 10.333 21.628 -2.975 1.00 0.00 O ATOM 897 O5' DC C 129 7.967 22.400 -2.730 1.00 0.00 O ATOM 898 C5' DC C 129 6.641 22.644 -3.203 1.00 0.00 C ATOM 899 C4' DC C 129 5.703 23.069 -2.070 1.00 0.00 C ATOM 900 O4' DC C 129 5.472 21.978 -1.149 1.00 0.00 O ATOM 901 C3' DC C 129 6.283 24.243 -1.275 1.00 0.00 C ATOM 902 O3' DC C 129 5.374 25.347 -1.330 1.00 0.00 O ATOM 903 C2' DC C 129 6.442 23.745 0.141 1.00 0.00 C ATOM 904 C1' DC C 129 5.769 22.383 0.208 1.00 0.00 C ATOM 905 N1 DC C 129 6.627 21.358 0.876 1.00 0.00 N ATOM 906 C2 DC C 129 6.129 20.736 2.021 1.00 0.00 C ATOM 907 O2 DC C 129 5.044 21.081 2.482 1.00 0.00 O ATOM 908 N3 DC C 129 6.867 19.752 2.604 1.00 0.00 N ATOM 909 C4 DC C 129 8.049 19.385 2.097 1.00 0.00 C ATOM 910 N4 DC C 129 8.732 18.399 2.683 1.00 0.00 N ATOM 911 C5 DC C 129 8.576 20.021 0.926 1.00 0.00 C ATOM 912 C6 DC C 129 7.839 20.996 0.350 1.00 0.00 C ATOM 0 H5' DC C 129 6.253 21.743 -3.678 1.00 0.00 H new ATOM 0 H5'' DC C 129 6.665 23.422 -3.966 1.00 0.00 H new ATOM 0 H4' DC C 129 4.766 23.368 -2.539 1.00 0.00 H new ATOM 0 H3' DC C 129 7.238 24.584 -1.675 1.00 0.00 H new ATOM 0 H2' DC C 129 7.496 23.668 0.407 1.00 0.00 H new ATOM 0 H2'' DC C 129 5.984 24.437 0.848 1.00 0.00 H new ATOM 0 H1' DC C 129 4.861 22.461 0.806 1.00 0.00 H new ATOM 0 H41 DC C 129 9.635 18.110 2.306 1.00 0.00 H new ATOM 0 H42 DC C 129 8.351 17.935 3.508 1.00 0.00 H new ATOM 0 H5 DC C 129 9.532 19.730 0.517 1.00 0.00 H new ATOM 0 H6 DC C 129 8.209 21.495 -0.534 1.00 0.00 H new ATOM 924 P DA C 130 5.683 26.743 -0.594 1.00 0.00 P ATOM 925 OP1 DA C 130 4.937 27.810 -1.300 1.00 0.00 O ATOM 926 OP2 DA C 130 7.147 26.863 -0.423 1.00 0.00 O ATOM 927 O5' DA C 130 5.023 26.556 0.865 1.00 0.00 O ATOM 928 C5' DA C 130 3.620 26.301 0.992 1.00 0.00 C ATOM 929 C4' DA C 130 3.199 26.157 2.459 1.00 0.00 C ATOM 930 O4' DA C 130 3.710 24.926 3.027 1.00 0.00 O ATOM 931 C3' DA C 130 3.727 27.327 3.300 1.00 0.00 C ATOM 932 O3' DA C 130 2.646 28.021 3.933 1.00 0.00 O ATOM 933 C2' DA C 130 4.628 26.707 4.338 1.00 0.00 C ATOM 934 C1' DA C 130 4.466 25.198 4.230 1.00 0.00 C ATOM 935 N9 DA C 130 5.770 24.512 4.202 1.00 0.00 N ATOM 936 C8 DA C 130 6.812 24.712 3.364 1.00 0.00 C ATOM 937 N7 DA C 130 7.846 23.949 3.565 1.00 0.00 N ATOM 938 C5 DA C 130 7.448 23.163 4.644 1.00 0.00 C ATOM 939 C6 DA C 130 8.081 22.140 5.358 1.00 0.00 C ATOM 940 N6 DA C 130 9.316 21.715 5.088 1.00 0.00 N ATOM 941 N1 DA C 130 7.395 21.577 6.368 1.00 0.00 N ATOM 942 C2 DA C 130 6.163 21.995 6.659 1.00 0.00 C ATOM 943 N3 DA C 130 5.474 22.954 6.047 1.00 0.00 N ATOM 944 C4 DA C 130 6.184 23.499 5.039 1.00 0.00 C ATOM 0 H5' DA C 130 3.365 25.391 0.450 1.00 0.00 H new ATOM 0 H5'' DA C 130 3.059 27.114 0.531 1.00 0.00 H new ATOM 0 H4' DA C 130 2.109 26.149 2.478 1.00 0.00 H new ATOM 0 H3' DA C 130 4.256 28.055 2.685 1.00 0.00 H new ATOM 0 H2' DA C 130 5.665 26.996 4.169 1.00 0.00 H new ATOM 0 H2'' DA C 130 4.360 27.052 5.336 1.00 0.00 H new ATOM 0 H1' DA C 130 3.940 24.818 5.106 1.00 0.00 H new ATOM 0 H8 DA C 130 6.787 25.455 2.581 1.00 0.00 H new ATOM 0 H61 DA C 130 9.729 20.965 5.641 1.00 0.00 H new ATOM 0 H62 DA C 130 9.847 22.140 4.328 1.00 0.00 H new ATOM 0 H2 DA C 130 5.670 21.500 7.483 1.00 0.00 H new ATOM 956 P DA C 131 2.929 29.298 4.878 1.00 0.00 P ATOM 957 OP1 DA C 131 1.723 30.154 4.865 1.00 0.00 O ATOM 958 OP2 DA C 131 4.237 29.871 4.488 1.00 0.00 O ATOM 959 O5' DA C 131 3.078 28.666 6.356 1.00 0.00 O ATOM 960 C5' DA C 131 1.956 28.035 6.985 1.00 0.00 C ATOM 961 C4' DA C 131 2.292 27.496 8.384 1.00 0.00 C ATOM 962 O4' DA C 131 3.169 26.344 8.299 1.00 0.00 O ATOM 963 C3' DA C 131 2.984 28.553 9.253 1.00 0.00 C ATOM 964 O3' DA C 131 2.218 28.818 10.433 1.00 0.00 O ATOM 965 C2' DA C 131 4.313 27.953 9.649 1.00 0.00 C ATOM 966 C1' DA C 131 4.317 26.513 9.166 1.00 0.00 C ATOM 967 N9 DA C 131 5.568 26.190 8.458 1.00 0.00 N ATOM 968 C8 DA C 131 6.090 26.790 7.367 1.00 0.00 C ATOM 969 N7 DA C 131 7.194 26.269 6.918 1.00 0.00 N ATOM 970 C5 DA C 131 7.428 25.222 7.807 1.00 0.00 C ATOM 971 C6 DA C 131 8.445 24.265 7.897 1.00 0.00 C ATOM 972 N6 DA C 131 9.451 24.191 7.027 1.00 0.00 N ATOM 973 N1 DA C 131 8.376 23.377 8.905 1.00 0.00 N ATOM 974 C2 DA C 131 7.361 23.428 9.771 1.00 0.00 C ATOM 975 N3 DA C 131 6.346 24.291 9.773 1.00 0.00 N ATOM 976 C4 DA C 131 6.445 25.168 8.753 1.00 0.00 C ATOM 0 H5' DA C 131 1.606 27.215 6.358 1.00 0.00 H new ATOM 0 H5'' DA C 131 1.137 28.750 7.062 1.00 0.00 H new ATOM 0 H4' DA C 131 1.342 27.217 8.840 1.00 0.00 H new ATOM 0 H3' DA C 131 3.095 29.492 8.711 1.00 0.00 H new ATOM 0 H2' DA C 131 5.136 28.511 9.202 1.00 0.00 H new ATOM 0 H2'' DA C 131 4.448 27.997 10.730 1.00 0.00 H new ATOM 0 H1' DA C 131 4.257 25.831 10.014 1.00 0.00 H new ATOM 0 H8 DA C 131 5.623 27.644 6.899 1.00 0.00 H new ATOM 0 H61 DA C 131 10.168 23.474 7.137 1.00 0.00 H new ATOM 0 H62 DA C 131 9.504 24.851 6.251 1.00 0.00 H new ATOM 0 H2 DA C 131 7.363 22.687 10.557 1.00 0.00 H new ATOM 988 P DC C 132 2.727 29.900 11.513 1.00 0.00 P ATOM 989 OP1 DC C 132 1.549 30.394 12.260 1.00 0.00 O ATOM 990 OP2 DC C 132 3.617 30.861 10.822 1.00 0.00 O ATOM 991 O5' DC C 132 3.627 29.011 12.518 1.00 0.00 O ATOM 992 C5' DC C 132 3.078 27.864 13.179 1.00 0.00 C ATOM 993 C4' DC C 132 4.139 27.105 13.992 1.00 0.00 C ATOM 994 O4' DC C 132 5.074 26.416 13.130 1.00 0.00 O ATOM 995 C3' DC C 132 4.941 28.038 14.910 1.00 0.00 C ATOM 996 O3' DC C 132 4.624 27.791 16.282 1.00 0.00 O ATOM 997 C2' DC C 132 6.398 27.723 14.634 1.00 0.00 C ATOM 998 C1' DC C 132 6.421 26.587 13.623 1.00 0.00 C ATOM 999 N1 DC C 132 7.363 26.878 12.506 1.00 0.00 N ATOM 1000 C2 DC C 132 8.476 26.057 12.335 1.00 0.00 C ATOM 1001 O2 DC C 132 8.670 25.114 13.100 1.00 0.00 O ATOM 1002 N3 DC C 132 9.330 26.331 11.310 1.00 0.00 N ATOM 1003 C4 DC C 132 9.105 27.363 10.485 1.00 0.00 C ATOM 1004 N4 DC C 132 9.957 27.608 9.488 1.00 0.00 N ATOM 1005 C5 DC C 132 7.964 28.205 10.659 1.00 0.00 C ATOM 1006 C6 DC C 132 7.127 27.924 11.676 1.00 0.00 C ATOM 0 H5' DC C 132 2.641 27.194 12.439 1.00 0.00 H new ATOM 0 H5'' DC C 132 2.271 28.179 13.841 1.00 0.00 H new ATOM 0 H4' DC C 132 3.588 26.386 14.598 1.00 0.00 H new ATOM 0 H3' DC C 132 4.711 29.086 14.720 1.00 0.00 H new ATOM 0 H2' DC C 132 6.915 28.599 14.242 1.00 0.00 H new ATOM 0 H2'' DC C 132 6.911 27.434 15.551 1.00 0.00 H new ATOM 0 HO3' DC C 132 5.146 28.394 16.852 1.00 0.00 H new ATOM 0 H1' DC C 132 6.772 25.670 14.097 1.00 0.00 H new ATOM 0 H41 DC C 132 9.791 28.392 8.857 1.00 0.00 H new ATOM 0 H42 DC C 132 10.774 27.011 9.357 1.00 0.00 H new ATOM 0 H5 DC C 132 7.779 29.038 9.998 1.00 0.00 H new ATOM 0 H6 DC C 132 6.255 28.541 11.833 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -5.833 14.997 12.367 1.00 0.00 N ATOM 1021 CA LYS A 1 -6.478 14.195 13.444 1.00 0.00 C ATOM 1022 C LYS A 1 -6.659 12.750 12.961 1.00 0.00 C ATOM 1023 O LYS A 1 -7.757 12.304 12.696 1.00 0.00 O ATOM 1024 CB LYS A 1 -7.839 14.814 13.764 1.00 0.00 C ATOM 1025 CG LYS A 1 -7.626 16.216 14.342 1.00 0.00 C ATOM 1026 CD LYS A 1 -8.979 16.893 14.563 1.00 0.00 C ATOM 1027 CE LYS A 1 -8.759 18.308 15.099 1.00 0.00 C ATOM 1028 NZ LYS A 1 -10.065 19.024 15.162 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.347 15.815 12.787 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.142 14.407 11.861 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.558 15.330 11.700 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.856 14.193 14.339 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.450 14.867 12.863 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.378 14.191 14.478 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.082 16.153 15.284 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.017 16.812 13.662 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.537 16.930 13.627 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.576 16.314 15.268 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.307 18.267 16.090 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.066 18.849 14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.916 19.987 15.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.479 19.075 14.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.712 18.511 15.794 1.00 0.00 H new ATOM 1044 N ARG A 2 -5.583 12.014 12.848 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.692 10.597 12.387 1.00 0.00 C ATOM 1046 C ARG A 2 -6.509 9.815 13.426 1.00 0.00 C ATOM 1047 O ARG A 2 -7.341 8.996 13.100 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.273 10.002 12.255 1.00 0.00 C ATOM 1049 CG ARG A 2 -4.255 8.775 11.316 1.00 0.00 C ATOM 1050 CD ARG A 2 -4.686 7.506 12.060 1.00 0.00 C ATOM 1051 NE ARG A 2 -3.862 7.331 13.287 1.00 0.00 N ATOM 1052 CZ ARG A 2 -4.255 6.513 14.223 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -5.373 5.853 14.085 1.00 0.00 N ATOM 1054 NH2 ARG A 2 -3.534 6.356 15.297 1.00 0.00 N ATOM 0 H ARG A 2 -4.636 12.332 13.054 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.187 10.539 11.418 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.593 10.763 11.873 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.906 9.712 13.240 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.922 8.949 10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.253 8.639 10.909 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.741 7.571 12.327 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.575 6.638 11.410 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.991 7.850 13.395 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.938 5.977 13.245 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.681 5.213 14.817 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.662 6.873 15.406 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.842 5.716 16.029 1.00 0.00 H new ATOM 1068 N ALA A 3 -6.271 10.084 14.679 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.006 9.380 15.774 1.00 0.00 C ATOM 1070 C ALA A 3 -8.519 9.370 15.516 1.00 0.00 C ATOM 1071 O ALA A 3 -9.146 10.405 15.400 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.747 10.121 17.086 1.00 0.00 C ATOM 0 H ALA A 3 -5.589 10.772 14.998 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.653 8.350 15.820 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.276 9.621 17.897 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.678 10.123 17.298 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.102 11.148 17.000 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.116 8.206 15.465 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.595 8.120 15.257 1.00 0.00 C ATOM 1080 C GLY A 4 -10.942 8.158 13.766 1.00 0.00 C ATOM 1081 O GLY A 4 -12.073 7.929 13.384 1.00 0.00 O ATOM 0 H GLY A 4 -8.642 7.308 15.559 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.975 7.199 15.699 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.087 8.947 15.770 1.00 0.00 H new ATOM 1085 N THR A 5 -9.997 8.460 12.921 1.00 0.00 N ATOM 1086 CA THR A 5 -10.310 8.525 11.464 1.00 0.00 C ATOM 1087 C THR A 5 -10.640 7.132 10.933 1.00 0.00 C ATOM 1088 O THR A 5 -9.811 6.244 10.921 1.00 0.00 O ATOM 1089 CB THR A 5 -9.110 9.069 10.685 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.535 10.154 11.400 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.570 9.548 9.297 1.00 0.00 C ATOM 0 H THR A 5 -9.029 8.663 13.171 1.00 0.00 H new ATOM 0 HA THR A 5 -11.166 9.186 11.332 1.00 0.00 H new ATOM 0 HB THR A 5 -8.367 8.281 10.564 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.532 9.949 12.358 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.714 9.935 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.008 8.713 8.750 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.314 10.336 9.412 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.841 6.961 10.459 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.264 5.659 9.869 1.00 0.00 C ATOM 1101 C VAL A 6 -12.691 5.950 8.437 1.00 0.00 C ATOM 1102 O VAL A 6 -13.299 6.967 8.169 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.433 5.073 10.664 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.917 4.503 11.989 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.457 6.172 10.949 1.00 0.00 C ATOM 0 H VAL A 6 -12.562 7.682 10.455 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.453 4.932 9.896 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.903 4.278 10.085 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.750 4.086 12.555 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.186 3.719 11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.447 5.298 12.568 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.290 5.755 11.515 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.986 6.967 11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.826 6.579 10.007 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.384 5.099 7.505 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.785 5.381 6.105 1.00 0.00 C ATOM 1117 C CYS A 7 -14.300 5.433 6.002 1.00 0.00 C ATOM 1118 O CYS A 7 -14.992 4.474 6.278 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.244 4.283 5.207 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.689 4.626 3.487 1.00 0.00 S ATOM 0 H CYS A 7 -11.876 4.226 7.650 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.379 6.344 5.793 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.160 4.220 5.307 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.649 3.318 5.512 1.00 0.00 H new ATOM 1125 N SER A 8 -14.817 6.557 5.615 1.00 0.00 N ATOM 1126 CA SER A 8 -16.285 6.696 5.495 1.00 0.00 C ATOM 1127 C SER A 8 -16.831 5.718 4.456 1.00 0.00 C ATOM 1128 O SER A 8 -17.892 5.152 4.628 1.00 0.00 O ATOM 1129 CB SER A 8 -16.611 8.111 5.043 1.00 0.00 C ATOM 1130 OG SER A 8 -16.209 9.034 6.045 1.00 0.00 O ATOM 0 H SER A 8 -14.281 7.391 5.375 1.00 0.00 H new ATOM 0 HA SER A 8 -16.739 6.484 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.101 8.331 4.105 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.680 8.206 4.854 1.00 0.00 H new ATOM 0 HG SER A 8 -15.245 9.194 5.975 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.138 5.536 3.357 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.671 4.620 2.311 1.00 0.00 C ATOM 1138 C ASN A 9 -16.507 3.144 2.697 1.00 0.00 C ATOM 1139 O ASN A 9 -17.388 2.356 2.411 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.932 4.872 0.993 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.344 6.225 0.406 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.382 6.761 0.745 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.570 6.803 -0.473 1.00 0.00 N ATOM 0 H ASN A 9 -15.242 5.975 3.145 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.736 4.825 2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.855 4.853 1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.157 4.076 0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.836 7.702 -0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.699 6.355 -0.759 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.397 2.727 3.305 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.244 1.259 3.634 1.00 0.00 C ATOM 1152 C CYS A 10 -14.864 1.015 5.105 1.00 0.00 C ATOM 1153 O CYS A 10 -14.620 -0.109 5.494 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.223 0.596 2.687 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.517 0.941 3.205 1.00 0.00 S ATOM 0 H CYS A 10 -14.616 3.324 3.578 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.220 0.797 3.484 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.388 -0.481 2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.377 0.960 1.671 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.870 2.023 5.942 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.580 1.809 7.400 1.00 0.00 C ATOM 1162 C GLN A 11 -13.153 1.295 7.675 1.00 0.00 C ATOM 1163 O GLN A 11 -12.781 1.119 8.818 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.612 0.815 7.965 1.00 0.00 C ATOM 1165 CG GLN A 11 -15.685 0.930 9.491 1.00 0.00 C ATOM 1166 CD GLN A 11 -16.815 0.043 10.022 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.085 -1.008 9.477 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.488 0.422 11.076 1.00 0.00 N ATOM 0 H GLN A 11 -15.064 2.990 5.680 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.653 2.778 7.893 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.592 1.013 7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.339 -0.202 7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.735 0.630 9.934 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.857 1.967 9.779 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.262 1.305 11.535 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.239 -0.165 11.440 1.00 0.00 H new ATOM 1177 N THR A 12 -12.332 1.062 6.688 1.00 0.00 N ATOM 1178 CA THR A 12 -10.955 0.579 7.018 1.00 0.00 C ATOM 1179 C THR A 12 -10.249 1.648 7.857 1.00 0.00 C ATOM 1180 O THR A 12 -10.422 2.828 7.626 1.00 0.00 O ATOM 1181 CB THR A 12 -10.153 0.292 5.735 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.939 -0.362 6.079 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.831 1.592 4.997 1.00 0.00 C ATOM 0 H THR A 12 -12.542 1.179 5.697 1.00 0.00 H new ATOM 0 HA THR A 12 -11.023 -0.351 7.582 1.00 0.00 H new ATOM 0 HB THR A 12 -10.752 -0.343 5.082 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.182 0.229 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.264 1.367 4.094 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.759 2.096 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.240 2.241 5.644 1.00 0.00 H new ATOM 1191 N SER A 13 -9.435 1.249 8.812 1.00 0.00 N ATOM 1192 CA SER A 13 -8.693 2.257 9.654 1.00 0.00 C ATOM 1193 C SER A 13 -7.218 2.216 9.258 1.00 0.00 C ATOM 1194 O SER A 13 -6.419 3.025 9.685 1.00 0.00 O ATOM 1195 CB SER A 13 -8.869 1.939 11.138 1.00 0.00 C ATOM 1196 OG SER A 13 -8.360 0.639 11.405 1.00 0.00 O ATOM 0 H SER A 13 -9.251 0.273 9.046 1.00 0.00 H new ATOM 0 HA SER A 13 -9.090 3.258 9.483 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.346 2.678 11.744 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.923 1.992 11.410 1.00 0.00 H new ATOM 0 HG SER A 13 -8.470 0.434 12.357 1.00 0.00 H new ATOM 1202 N THR A 14 -6.868 1.289 8.407 1.00 0.00 N ATOM 1203 CA THR A 14 -5.463 1.179 7.919 1.00 0.00 C ATOM 1204 C THR A 14 -5.419 1.788 6.519 1.00 0.00 C ATOM 1205 O THR A 14 -6.095 1.325 5.622 1.00 0.00 O ATOM 1206 CB THR A 14 -5.071 -0.299 7.847 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.963 -0.977 6.972 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.153 -0.919 9.242 1.00 0.00 C ATOM 0 H THR A 14 -7.507 0.592 8.024 1.00 0.00 H new ATOM 0 HA THR A 14 -4.774 1.696 8.587 1.00 0.00 H new ATOM 0 HB THR A 14 -4.051 -0.389 7.473 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.999 -1.926 7.212 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.874 -1.971 9.189 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.472 -0.396 9.913 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.172 -0.832 9.619 1.00 0.00 H new ATOM 1216 N THR A 15 -4.637 2.819 6.313 1.00 0.00 N ATOM 1217 CA THR A 15 -4.585 3.447 4.954 1.00 0.00 C ATOM 1218 C THR A 15 -3.185 3.975 4.671 1.00 0.00 C ATOM 1219 O THR A 15 -2.471 4.384 5.566 1.00 0.00 O ATOM 1220 CB THR A 15 -5.549 4.637 4.903 1.00 0.00 C ATOM 1221 OG1 THR A 15 -4.923 5.772 5.486 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.810 4.311 5.687 1.00 0.00 C ATOM 0 H THR A 15 -4.038 3.250 7.017 1.00 0.00 H new ATOM 0 HA THR A 15 -4.859 2.692 4.217 1.00 0.00 H new ATOM 0 HB THR A 15 -5.809 4.845 3.865 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.554 6.221 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.492 5.160 5.648 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.293 3.437 5.251 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.550 4.102 6.725 1.00 0.00 H new ATOM 1230 N THR A 16 -2.794 4.004 3.428 1.00 0.00 N ATOM 1231 CA THR A 16 -1.453 4.546 3.097 1.00 0.00 C ATOM 1232 C THR A 16 -1.544 6.072 3.123 1.00 0.00 C ATOM 1233 O THR A 16 -0.650 6.752 3.588 1.00 0.00 O ATOM 1234 CB THR A 16 -1.019 4.094 1.702 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.839 4.725 0.727 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.132 2.569 1.547 1.00 0.00 C ATOM 0 H THR A 16 -3.343 3.677 2.633 1.00 0.00 H new ATOM 0 HA THR A 16 -0.722 4.183 3.820 1.00 0.00 H new ATOM 0 HB THR A 16 0.024 4.376 1.562 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.209 4.048 0.123 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.816 2.281 0.544 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.494 2.080 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.166 2.263 1.703 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.636 6.617 2.638 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.809 8.105 2.648 1.00 0.00 C ATOM 1246 C LEU A 17 -4.284 8.414 2.920 1.00 0.00 C ATOM 1247 O LEU A 17 -5.165 7.859 2.293 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.390 8.706 1.289 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.789 10.106 1.479 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.448 10.020 2.257 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.577 10.738 0.091 1.00 0.00 C ATOM 0 H LEU A 17 -3.415 6.095 2.236 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.180 8.544 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.662 8.054 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.255 8.762 0.628 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.469 10.726 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.036 11.021 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.623 9.574 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.258 9.404 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.150 11.734 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.897 10.117 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.534 10.811 -0.426 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.569 9.296 3.838 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.987 9.632 4.123 1.00 0.00 C ATOM 1265 C TRP A 18 -6.476 10.650 3.089 1.00 0.00 C ATOM 1266 O TRP A 18 -5.845 11.661 2.848 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.085 10.235 5.533 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.093 9.131 6.553 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.115 8.894 7.458 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.111 8.109 6.775 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.470 7.794 8.220 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.690 7.278 7.840 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.348 7.826 6.165 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.465 6.206 8.283 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.131 6.746 6.610 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.689 5.939 7.667 1.00 0.00 C ATOM 0 H TRP A 18 -3.881 9.796 4.401 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.604 8.735 4.069 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.244 10.904 5.713 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.992 10.833 5.622 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.207 9.468 7.568 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.897 7.411 8.972 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.698 8.442 5.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.120 5.586 9.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.078 6.537 6.135 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.295 5.111 8.005 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.592 10.376 2.466 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.144 11.299 1.427 1.00 0.00 C ATOM 1289 C ARG A 19 -9.432 11.929 1.965 1.00 0.00 C ATOM 1290 O ARG A 19 -9.887 11.603 3.043 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.490 10.497 0.158 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.372 9.517 -0.208 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.194 10.254 -0.836 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.090 9.270 -1.033 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.019 9.577 -1.712 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.836 10.786 -2.161 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.116 8.664 -1.917 1.00 0.00 N ATOM 0 H ARG A 19 -8.153 9.541 2.634 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.407 12.067 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.419 9.949 0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.661 11.183 -0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.041 8.985 0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.751 8.768 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.485 10.697 -1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.867 11.070 -0.192 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.174 8.338 -0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.535 11.507 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.994 11.011 -2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.250 7.722 -1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.274 8.890 -2.446 1.00 0.00 H new ATOM 1311 N ARG A 20 -10.044 12.797 1.202 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.333 13.422 1.626 1.00 0.00 C ATOM 1313 C ARG A 20 -12.302 13.284 0.444 1.00 0.00 C ATOM 1314 O ARG A 20 -11.911 13.437 -0.697 1.00 0.00 O ATOM 1315 CB ARG A 20 -11.103 14.901 1.960 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.336 15.484 2.676 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.226 15.258 4.191 1.00 0.00 C ATOM 1318 NE ARG A 20 -11.094 16.063 4.735 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.998 16.279 6.020 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.912 15.823 6.833 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.990 16.958 6.491 1.00 0.00 N ATOM 0 H ARG A 20 -9.701 13.103 0.292 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.738 12.937 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.222 15.005 2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.906 15.461 1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.418 16.550 2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.243 15.013 2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.157 15.544 4.680 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.067 14.200 4.401 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.392 16.446 4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.704 15.296 6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.834 15.994 7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.278 17.320 5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.913 17.128 7.494 1.00 0.00 H new ATOM 1335 N SER A 21 -13.555 12.987 0.689 1.00 0.00 N ATOM 1336 CA SER A 21 -14.524 12.832 -0.448 1.00 0.00 C ATOM 1337 C SER A 21 -15.200 14.188 -0.735 1.00 0.00 C ATOM 1338 O SER A 21 -15.201 15.065 0.102 1.00 0.00 O ATOM 1339 CB SER A 21 -15.567 11.758 -0.088 1.00 0.00 C ATOM 1340 OG SER A 21 -16.867 12.328 -0.094 1.00 0.00 O ATOM 0 H SER A 21 -13.949 12.846 1.619 1.00 0.00 H new ATOM 0 HA SER A 21 -13.998 12.513 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.517 10.936 -0.802 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.348 11.340 0.895 1.00 0.00 H new ATOM 0 HG SER A 21 -17.477 11.746 -0.593 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.751 14.367 -1.920 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.410 15.656 -2.292 1.00 0.00 C ATOM 1348 C PRO A 22 -17.445 16.144 -1.255 1.00 0.00 C ATOM 1349 O PRO A 22 -17.783 17.310 -1.222 1.00 0.00 O ATOM 1350 CB PRO A 22 -17.078 15.314 -3.645 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.761 13.844 -3.994 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.755 13.307 -2.969 1.00 0.00 C ATOM 0 HA PRO A 22 -15.699 16.481 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -18.156 15.464 -3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.708 15.977 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.672 13.246 -3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.350 13.774 -5.001 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -16.064 12.342 -2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.767 13.168 -3.407 1.00 0.00 H new ATOM 1360 N MET A 23 -17.950 15.273 -0.413 1.00 0.00 N ATOM 1361 CA MET A 23 -18.959 15.712 0.610 1.00 0.00 C ATOM 1362 C MET A 23 -18.259 15.992 1.947 1.00 0.00 C ATOM 1363 O MET A 23 -18.864 16.472 2.885 1.00 0.00 O ATOM 1364 CB MET A 23 -20.025 14.618 0.790 1.00 0.00 C ATOM 1365 CG MET A 23 -19.377 13.240 0.659 1.00 0.00 C ATOM 1366 SD MET A 23 -20.592 11.958 1.058 1.00 0.00 S ATOM 1367 CE MET A 23 -19.771 10.583 0.212 1.00 0.00 C ATOM 0 H MET A 23 -17.710 14.282 -0.388 1.00 0.00 H new ATOM 0 HA MET A 23 -19.443 16.627 0.268 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.499 14.716 1.767 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.809 14.734 0.042 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.003 13.098 -0.355 1.00 0.00 H new ATOM 0 HG3 MET A 23 -18.520 13.165 1.329 1.00 0.00 H new ATOM 0 HE1 MET A 23 -20.363 9.676 0.334 1.00 0.00 H new ATOM 0 HE2 MET A 23 -19.675 10.814 -0.849 1.00 0.00 H new ATOM 0 HE3 MET A 23 -18.781 10.431 0.642 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.986 15.707 2.037 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.238 15.964 3.309 1.00 0.00 C ATOM 1379 C GLY A 24 -16.246 14.710 4.184 1.00 0.00 C ATOM 1380 O GLY A 24 -16.144 14.783 5.392 1.00 0.00 O ATOM 0 H GLY A 24 -16.428 15.306 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.212 16.254 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.694 16.795 3.847 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.366 13.558 3.584 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.384 12.286 4.359 1.00 0.00 C ATOM 1386 C ASP A 25 -14.984 11.624 4.319 1.00 0.00 C ATOM 1387 O ASP A 25 -14.542 11.216 3.263 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.388 11.352 3.680 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.807 11.881 3.901 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.996 13.081 3.789 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.681 11.076 4.179 1.00 0.00 O ATOM 0 H ASP A 25 -16.454 13.443 2.574 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.656 12.479 5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.175 11.286 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.296 10.345 4.087 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.277 11.496 5.436 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.927 10.849 5.409 1.00 0.00 C ATOM 1398 C PRO A 26 -12.947 9.498 4.674 1.00 0.00 C ATOM 1399 O PRO A 26 -13.821 8.681 4.887 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.627 10.680 6.911 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.533 11.658 7.672 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.741 11.968 6.777 1.00 0.00 C ATOM 0 HA PRO A 26 -12.176 11.429 4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.817 9.655 7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.577 10.888 7.119 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.859 11.222 8.616 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.991 12.572 7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.636 11.440 7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.981 13.031 6.773 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.983 9.258 3.817 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.936 7.951 3.072 1.00 0.00 C ATOM 1412 C VAL A 27 -10.487 7.457 2.975 1.00 0.00 C ATOM 1413 O VAL A 27 -9.555 8.228 3.091 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.533 8.116 1.663 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.067 8.153 1.771 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.004 9.419 0.992 1.00 0.00 C ATOM 0 H VAL A 27 -11.227 9.907 3.599 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.528 7.215 3.617 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.231 7.273 1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.499 8.270 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.423 7.223 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.367 8.992 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.438 9.518 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.286 10.280 1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.918 9.372 0.912 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.281 6.172 2.768 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.883 5.647 2.675 1.00 0.00 C ATOM 1428 C CYS A 28 -8.325 5.840 1.259 1.00 0.00 C ATOM 1429 O CYS A 28 -9.048 6.042 0.304 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.818 4.161 3.095 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.603 3.062 1.877 1.00 0.00 S ATOM 0 H CYS A 28 -11.016 5.473 2.661 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.262 6.216 3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.776 3.868 3.226 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.308 4.037 4.061 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.026 5.805 1.144 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.349 6.013 -0.171 1.00 0.00 C ATOM 1438 C ASN A 29 -7.036 5.232 -1.295 1.00 0.00 C ATOM 1439 O ASN A 29 -7.320 5.768 -2.348 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.907 5.514 -0.041 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.129 5.814 -1.320 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.694 5.853 -2.393 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.843 6.028 -1.248 1.00 0.00 N ATOM 0 H ASN A 29 -6.390 5.637 1.923 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.392 7.073 -0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.423 5.995 0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.902 4.442 0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.311 6.229 -2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.370 5.995 -0.345 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.279 3.976 -1.100 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.916 3.173 -2.178 1.00 0.00 C ATOM 1452 C ALA A 30 -9.324 3.702 -2.511 1.00 0.00 C ATOM 1453 O ALA A 30 -9.647 3.921 -3.663 1.00 0.00 O ATOM 1454 CB ALA A 30 -7.995 1.726 -1.728 1.00 0.00 C ATOM 0 H ALA A 30 -7.066 3.466 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.312 3.252 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.461 1.127 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.991 1.350 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.591 1.660 -0.818 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.175 3.893 -1.531 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.555 4.392 -1.845 1.00 0.00 C ATOM 1462 C CYS A 31 -11.478 5.747 -2.535 1.00 0.00 C ATOM 1463 O CYS A 31 -12.216 6.023 -3.440 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.388 4.581 -0.571 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.861 2.989 0.130 1.00 0.00 S ATOM 0 H CYS A 31 -9.981 3.729 -0.543 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.023 3.646 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.815 5.150 0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.281 5.163 -0.799 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.618 6.610 -2.095 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.557 7.953 -2.730 1.00 0.00 C ATOM 1472 C GLY A 32 -10.302 7.808 -4.228 1.00 0.00 C ATOM 1473 O GLY A 32 -10.994 8.381 -5.045 1.00 0.00 O ATOM 0 H GLY A 32 -9.960 6.451 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.492 8.487 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.764 8.545 -2.273 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.316 7.045 -4.596 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.018 6.862 -6.042 1.00 0.00 C ATOM 1479 C LEU A 33 -10.166 6.112 -6.718 1.00 0.00 C ATOM 1480 O LEU A 33 -10.657 6.512 -7.752 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.737 6.043 -6.179 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.571 6.781 -5.502 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.328 5.875 -5.481 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.261 8.087 -6.265 1.00 0.00 C ATOM 0 H LEU A 33 -8.702 6.539 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.897 7.836 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.872 5.062 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.512 5.877 -7.232 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.849 7.029 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.503 6.401 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.551 4.964 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.048 5.617 -6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.434 8.604 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.988 7.851 -7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.142 8.728 -6.261 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.595 5.023 -6.145 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.706 4.245 -6.761 1.00 0.00 C ATOM 1498 C TYR A 34 -12.946 5.125 -6.856 1.00 0.00 C ATOM 1499 O TYR A 34 -13.653 5.126 -7.844 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.022 3.035 -5.881 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.116 2.208 -6.517 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.455 2.603 -6.404 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.788 1.042 -7.220 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.463 1.832 -6.993 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.797 0.271 -7.809 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.136 0.666 -7.695 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.130 -0.095 -8.272 1.00 0.00 O ATOM 0 H TYR A 34 -10.224 4.638 -5.276 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.411 3.913 -7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.127 2.428 -5.747 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.334 3.366 -4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.709 3.502 -5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.756 0.737 -7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.495 2.137 -6.906 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.543 -0.628 -8.351 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.730 -0.869 -8.721 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.222 5.861 -5.823 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.420 6.733 -5.823 1.00 0.00 C ATOM 1519 C TYR A 35 -14.245 7.853 -6.848 1.00 0.00 C ATOM 1520 O TYR A 35 -15.103 8.112 -7.645 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.609 7.337 -4.426 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.028 7.824 -4.285 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.384 9.077 -4.787 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.986 7.017 -3.661 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.705 9.528 -4.667 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.306 7.464 -3.538 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.666 8.721 -4.043 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.969 9.166 -3.925 1.00 0.00 O ATOM 0 H TYR A 35 -12.663 5.896 -4.970 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.297 6.143 -6.087 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.390 6.591 -3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.912 8.162 -4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.642 9.698 -5.267 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.706 6.048 -3.274 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.983 10.497 -5.055 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.046 6.842 -3.055 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.507 8.486 -3.469 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.144 8.528 -6.836 1.00 0.00 N ATOM 1539 CA LYS A 36 -12.958 9.630 -7.819 1.00 0.00 C ATOM 1540 C LYS A 36 -13.043 9.079 -9.245 1.00 0.00 C ATOM 1541 O LYS A 36 -13.611 9.693 -10.124 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.578 10.244 -7.592 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.334 11.383 -8.579 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.032 12.108 -8.214 1.00 0.00 C ATOM 1545 CE LYS A 36 -8.821 11.218 -8.518 1.00 0.00 C ATOM 1546 NZ LYS A 36 -7.577 12.036 -8.448 1.00 0.00 N ATOM 0 H LYS A 36 -12.365 8.372 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.736 10.382 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.502 10.617 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.809 9.480 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.272 10.991 -9.594 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.170 12.082 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.957 13.039 -8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.040 12.373 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.770 10.397 -7.803 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.922 10.773 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.754 11.434 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.627 12.805 -9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.481 12.440 -7.495 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.474 7.935 -9.483 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.511 7.354 -10.854 1.00 0.00 C ATOM 1562 C LEU A 37 -13.926 6.862 -11.221 1.00 0.00 C ATOM 1563 O LEU A 37 -14.351 7.019 -12.349 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.508 6.183 -10.923 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.113 6.676 -11.358 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.699 7.930 -10.565 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.098 5.554 -11.111 1.00 0.00 C ATOM 0 H LEU A 37 -11.983 7.374 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.238 8.128 -11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.439 5.700 -9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.868 5.432 -11.626 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.142 6.938 -12.416 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.712 8.257 -10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.422 8.727 -10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.670 7.695 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.106 5.888 -11.414 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.087 5.300 -10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.378 4.675 -11.692 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.647 6.242 -10.306 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.020 5.712 -10.651 1.00 0.00 C ATOM 1581 C HIS A 38 -17.127 6.373 -9.801 1.00 0.00 C ATOM 1582 O HIS A 38 -18.283 6.020 -9.913 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.035 4.198 -10.416 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.086 3.523 -11.372 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.495 3.057 -12.613 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.750 3.216 -11.281 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.426 2.501 -13.212 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.336 2.571 -12.443 1.00 0.00 N ATOM 0 H HIS A 38 -14.350 6.080 -9.344 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.224 5.947 -11.696 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.748 3.978 -9.388 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.044 3.809 -10.555 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.117 3.441 -10.436 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.447 2.053 -14.194 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.401 2.226 -12.661 1.00 0.00 H new ATOM 1596 N GLN A 39 -16.798 7.327 -8.972 1.00 0.00 N ATOM 1597 CA GLN A 39 -17.813 8.036 -8.117 1.00 0.00 C ATOM 1598 C GLN A 39 -18.953 7.125 -7.634 1.00 0.00 C ATOM 1599 O GLN A 39 -20.090 7.537 -7.519 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.333 9.273 -8.859 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.253 8.872 -10.020 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.717 10.137 -10.744 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -18.909 10.940 -11.165 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.994 10.355 -10.903 1.00 0.00 N ATOM 0 H GLN A 39 -15.842 7.658 -8.844 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.310 8.354 -7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.876 9.916 -8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.492 9.853 -9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.724 8.215 -10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.112 8.315 -9.645 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.674 9.682 -10.550 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.312 11.199 -11.380 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.634 5.913 -7.263 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.656 4.986 -6.700 1.00 0.00 C ATOM 1615 C VAL A 40 -19.010 4.239 -5.535 1.00 0.00 C ATOM 1616 O VAL A 40 -17.804 4.107 -5.466 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.140 3.994 -7.754 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.981 4.727 -8.801 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.948 3.301 -8.426 1.00 0.00 C ATOM 0 H VAL A 40 -17.694 5.522 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.524 5.553 -6.365 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.752 3.233 -7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.326 4.017 -9.553 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.841 5.190 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.376 5.497 -9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.311 2.597 -9.175 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.316 4.048 -8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.368 2.765 -7.675 1.00 0.00 H new ATOM 1629 N ASN A 41 -19.792 3.770 -4.606 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.208 3.059 -3.428 1.00 0.00 C ATOM 1631 C ASN A 41 -18.904 1.593 -3.781 1.00 0.00 C ATOM 1632 O ASN A 41 -19.752 0.876 -4.272 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.203 3.114 -2.264 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.404 2.214 -2.570 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.762 2.027 -3.715 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.038 1.638 -1.586 1.00 0.00 N ATOM 0 H ASN A 41 -20.809 3.846 -4.608 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.276 3.547 -3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.719 2.790 -1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.536 4.140 -2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -22.834 1.031 -1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -21.737 1.795 -0.624 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.697 1.147 -3.527 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.320 -0.269 -3.840 1.00 0.00 C ATOM 1645 C ARG A 42 -17.630 -1.171 -2.629 1.00 0.00 C ATOM 1646 O ARG A 42 -17.572 -0.723 -1.501 1.00 0.00 O ATOM 1647 CB ARG A 42 -15.811 -0.338 -4.116 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.065 0.423 -3.013 1.00 0.00 C ATOM 1649 CD ARG A 42 -13.567 0.099 -3.052 1.00 0.00 C ATOM 1650 NE ARG A 42 -12.944 0.553 -1.778 1.00 0.00 N ATOM 1651 CZ ARG A 42 -11.796 0.064 -1.397 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -11.181 -0.818 -2.134 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -11.266 0.455 -0.272 1.00 0.00 N ATOM 0 H ARG A 42 -16.951 1.707 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.885 -0.605 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.481 -1.376 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.586 0.096 -5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.214 1.495 -3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.475 0.157 -2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.416 -0.972 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.096 0.595 -3.900 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.417 1.249 -1.201 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.597 -1.128 -3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.284 -1.198 -1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.749 1.141 0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.369 0.074 0.028 1.00 0.00 H new ATOM 1667 N PRO A 43 -17.930 -2.439 -2.837 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.200 -3.356 -1.690 1.00 0.00 C ATOM 1669 C PRO A 43 -16.918 -3.610 -0.871 1.00 0.00 C ATOM 1670 O PRO A 43 -15.825 -3.574 -1.399 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.674 -4.632 -2.409 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.203 -4.539 -3.867 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.026 -3.051 -4.197 1.00 0.00 C ATOM 0 HA PRO A 43 -18.920 -2.968 -0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.262 -5.519 -1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.759 -4.719 -2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.265 -5.077 -4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -18.932 -4.997 -4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.130 -2.869 -4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -18.869 -2.656 -4.763 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.037 -3.850 0.408 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.815 -4.086 1.248 1.00 0.00 C ATOM 1683 C LEU A 44 -15.044 -5.310 0.746 1.00 0.00 C ATOM 1684 O LEU A 44 -14.079 -5.728 1.354 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.236 -4.319 2.710 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.280 -2.993 3.465 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.369 -2.094 2.872 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.592 -3.273 4.937 1.00 0.00 C ATOM 0 H LEU A 44 -17.923 -3.894 0.911 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.170 -3.210 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.215 -4.797 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.534 -4.998 3.194 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.318 -2.488 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.396 -1.149 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.151 -1.903 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.336 -2.589 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.626 -2.333 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.557 -3.774 5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.816 -3.912 5.358 1.00 0.00 H new ATOM 1700 N THR A 45 -15.440 -5.888 -0.342 1.00 0.00 N ATOM 1701 CA THR A 45 -14.698 -7.072 -0.834 1.00 0.00 C ATOM 1702 C THR A 45 -13.241 -6.671 -1.131 1.00 0.00 C ATOM 1703 O THR A 45 -12.376 -7.511 -1.281 1.00 0.00 O ATOM 1704 CB THR A 45 -15.387 -7.617 -2.092 1.00 0.00 C ATOM 1705 OG1 THR A 45 -14.955 -8.948 -2.326 1.00 0.00 O ATOM 1706 CG2 THR A 45 -15.052 -6.748 -3.305 1.00 0.00 C ATOM 0 H THR A 45 -16.237 -5.598 -0.909 1.00 0.00 H new ATOM 0 HA THR A 45 -14.694 -7.856 -0.077 1.00 0.00 H new ATOM 0 HB THR A 45 -16.466 -7.601 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.395 -9.299 -3.128 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.549 -7.149 -4.188 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.394 -5.728 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.974 -6.746 -3.465 1.00 0.00 H new ATOM 1714 N MET A 46 -12.967 -5.387 -1.210 1.00 0.00 N ATOM 1715 CA MET A 46 -11.564 -4.924 -1.494 1.00 0.00 C ATOM 1716 C MET A 46 -10.886 -4.504 -0.188 1.00 0.00 C ATOM 1717 O MET A 46 -9.717 -4.174 -0.163 1.00 0.00 O ATOM 1718 CB MET A 46 -11.597 -3.705 -2.424 1.00 0.00 C ATOM 1719 CG MET A 46 -12.097 -4.105 -3.815 1.00 0.00 C ATOM 1720 SD MET A 46 -10.792 -4.993 -4.707 1.00 0.00 S ATOM 1721 CE MET A 46 -9.938 -3.550 -5.400 1.00 0.00 C ATOM 0 H MET A 46 -13.652 -4.640 -1.091 1.00 0.00 H new ATOM 0 HA MET A 46 -11.015 -5.742 -1.962 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.247 -2.937 -2.004 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.600 -3.271 -2.500 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.982 -4.735 -3.726 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.393 -3.217 -4.374 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.202 -3.880 -6.133 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.663 -2.896 -5.884 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.435 -3.006 -4.600 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.614 -4.493 0.890 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.020 -4.068 2.187 1.00 0.00 C ATOM 1733 C ARG A 47 -10.221 -5.216 2.805 1.00 0.00 C ATOM 1734 O ARG A 47 -10.716 -6.312 2.983 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.156 -3.641 3.120 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.616 -3.314 4.510 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.752 -2.718 5.342 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.278 -2.438 6.738 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.814 -3.384 7.512 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.896 -4.636 7.155 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.309 -3.076 8.676 1.00 0.00 N ATOM 0 H ARG A 47 -12.597 -4.760 0.930 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.338 -3.233 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.665 -2.770 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.896 -4.439 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.228 -4.214 4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.788 -2.609 4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.108 -1.798 4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.595 -3.408 5.368 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.319 -1.483 7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.325 -4.885 6.264 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.531 -5.366 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.278 -2.102 8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.945 -3.810 9.284 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.984 -4.955 3.149 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.114 -5.996 3.776 1.00 0.00 C ATOM 1757 C LYS A 48 -7.639 -5.461 5.126 1.00 0.00 C ATOM 1758 O LYS A 48 -7.343 -4.290 5.259 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.895 -6.252 2.881 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.342 -6.672 1.474 1.00 0.00 C ATOM 1761 CD LYS A 48 -8.020 -8.046 1.515 1.00 0.00 C ATOM 1762 CE LYS A 48 -8.076 -8.629 0.099 1.00 0.00 C ATOM 1763 NZ LYS A 48 -8.771 -7.670 -0.808 1.00 0.00 N ATOM 0 H LYS A 48 -8.534 -4.049 3.019 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.668 -6.926 3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.284 -5.351 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.272 -7.031 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.032 -5.931 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.481 -6.704 0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.469 -8.716 2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.027 -7.955 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.067 -8.824 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.602 -9.584 0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.080 -8.167 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.599 -7.271 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.119 -6.903 -1.068 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.583 -6.293 6.135 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.145 -5.819 7.484 1.00 0.00 C ATOM 1779 C ASP A 49 -5.959 -4.857 7.360 1.00 0.00 C ATOM 1780 O ASP A 49 -6.126 -3.654 7.308 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.723 -7.024 8.326 1.00 0.00 C ATOM 1782 CG ASP A 49 -6.293 -6.551 9.714 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -7.164 -6.328 10.539 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -5.099 -6.414 9.929 1.00 0.00 O ATOM 0 H ASP A 49 -7.822 -7.283 6.083 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.975 -5.296 7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.550 -7.729 8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.902 -7.551 7.840 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.763 -5.376 7.327 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.567 -4.494 7.225 1.00 0.00 C ATOM 1791 C GLY A 50 -3.466 -3.915 5.815 1.00 0.00 C ATOM 1792 O GLY A 50 -4.333 -4.110 4.987 1.00 0.00 O ATOM 0 H GLY A 50 -4.562 -6.375 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.636 -3.687 7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.666 -5.060 7.460 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.398 -3.215 5.529 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.215 -2.640 4.172 1.00 0.00 C ATOM 1798 C ILE A 51 -1.424 -3.631 3.315 1.00 0.00 C ATOM 1799 O ILE A 51 -0.463 -4.222 3.765 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.446 -1.326 4.277 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.112 -0.445 5.346 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.466 -0.612 2.916 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.632 0.999 5.210 1.00 0.00 C ATOM 0 H ILE A 51 -1.642 -3.018 6.185 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.186 -2.452 3.715 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.411 -1.518 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.196 -0.488 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.874 -0.823 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.917 0.327 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.998 -1.248 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.497 -0.408 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.110 1.615 5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.550 1.037 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.893 1.378 4.222 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.804 -3.799 2.084 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.052 -4.734 1.203 1.00 0.00 C ATOM 1817 C GLN A 52 0.267 -4.058 0.800 1.00 0.00 C ATOM 1818 O GLN A 52 0.350 -2.851 0.734 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.899 -5.063 -0.035 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.059 -5.973 0.371 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.045 -6.105 -0.794 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.390 -7.201 -1.191 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.515 -5.028 -1.363 1.00 0.00 N ATOM 0 H GLN A 52 -2.600 -3.332 1.648 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.836 -5.667 1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.281 -4.145 -0.482 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.284 -5.553 -0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.681 -6.956 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.566 -5.564 1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.226 -4.108 -1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.171 -5.107 -2.140 1.00 0.00 H new ATOM 1832 N THR A 53 1.308 -4.818 0.551 1.00 0.00 N ATOM 1833 CA THR A 53 2.621 -4.197 0.165 1.00 0.00 C ATOM 1834 C THR A 53 3.233 -4.967 -1.001 1.00 0.00 C ATOM 1835 O THR A 53 2.938 -6.121 -1.230 1.00 0.00 O ATOM 1836 CB THR A 53 3.598 -4.226 1.347 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.930 -4.301 0.857 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.309 -5.438 2.219 1.00 0.00 C ATOM 0 H THR A 53 1.308 -5.837 0.597 1.00 0.00 H new ATOM 0 HA THR A 53 2.439 -3.162 -0.126 1.00 0.00 H new ATOM 0 HB THR A 53 3.478 -3.319 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.556 -4.318 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.004 -5.457 3.058 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.288 -5.380 2.595 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.428 -6.347 1.629 1.00 0.00 H new ATOM 1846 N ARG A 54 4.093 -4.311 -1.722 1.00 0.00 N ATOM 1847 CA ARG A 54 4.769 -4.943 -2.891 1.00 0.00 C ATOM 1848 C ARG A 54 6.152 -4.312 -3.068 1.00 0.00 C ATOM 1849 O ARG A 54 6.469 -3.302 -2.472 1.00 0.00 O ATOM 1850 CB ARG A 54 3.899 -4.726 -4.158 1.00 0.00 C ATOM 1851 CG ARG A 54 2.990 -5.960 -4.415 1.00 0.00 C ATOM 1852 CD ARG A 54 1.678 -5.533 -5.084 1.00 0.00 C ATOM 1853 NE ARG A 54 1.951 -4.969 -6.433 1.00 0.00 N ATOM 1854 CZ ARG A 54 0.968 -4.811 -7.280 1.00 0.00 C ATOM 1855 NH1 ARG A 54 -0.247 -5.145 -6.935 1.00 0.00 N ATOM 1856 NH2 ARG A 54 1.197 -4.302 -8.458 1.00 0.00 N ATOM 0 H ARG A 54 4.363 -3.343 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 54 4.890 -6.014 -2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.285 -3.834 -4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.541 -4.554 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.511 -6.677 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.777 -6.464 -3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.008 -6.389 -5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.171 -4.791 -4.467 1.00 0.00 H new ATOM 0 HE ARG A 54 2.901 -4.707 -6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.427 -5.528 -6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.016 -5.023 -7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.144 -4.027 -8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.429 -4.179 -9.118 1.00 0.00 H new ATOM 1870 N ASN A 55 6.976 -4.918 -3.871 1.00 0.00 N ATOM 1871 CA ASN A 55 8.347 -4.379 -4.081 1.00 0.00 C ATOM 1872 C ASN A 55 8.271 -2.926 -4.559 1.00 0.00 C ATOM 1873 O ASN A 55 7.374 -2.532 -5.277 1.00 0.00 O ATOM 1874 CB ASN A 55 9.085 -5.247 -5.104 1.00 0.00 C ATOM 1875 CG ASN A 55 9.492 -6.565 -4.441 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.652 -6.629 -3.238 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.668 -7.627 -5.177 1.00 0.00 N ATOM 0 H ASN A 55 6.760 -5.767 -4.394 1.00 0.00 H new ATOM 0 HA ASN A 55 8.896 -4.401 -3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.445 -5.441 -5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.967 -4.724 -5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.939 -8.509 -4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.534 -7.576 -6.187 1.00 0.00 H new ATOM 1884 N ARG A 56 9.200 -2.124 -4.115 1.00 0.00 N ATOM 1885 CA ARG A 56 9.207 -0.670 -4.470 1.00 0.00 C ATOM 1886 C ARG A 56 9.365 -0.442 -5.978 1.00 0.00 C ATOM 1887 O ARG A 56 10.312 -0.893 -6.592 1.00 0.00 O ATOM 1888 CB ARG A 56 10.395 0.004 -3.774 1.00 0.00 C ATOM 1889 CG ARG A 56 10.278 -0.116 -2.249 1.00 0.00 C ATOM 1890 CD ARG A 56 9.279 0.914 -1.710 1.00 0.00 C ATOM 1891 NE ARG A 56 9.441 1.054 -0.223 1.00 0.00 N ATOM 1892 CZ ARG A 56 9.354 0.025 0.579 1.00 0.00 C ATOM 1893 NH1 ARG A 56 8.947 -1.131 0.133 1.00 0.00 N ATOM 1894 NH2 ARG A 56 9.624 0.170 1.847 1.00 0.00 N ATOM 0 H ARG A 56 9.968 -2.417 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 56 8.253 -0.251 -4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.325 -0.455 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.439 1.056 -4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.955 -1.122 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.254 0.039 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.440 1.877 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.261 0.604 -1.946 1.00 0.00 H new ATOM 0 HE ARG A 56 9.624 1.977 0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.693 -1.238 -0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.882 -1.928 0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.901 1.083 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.558 -0.629 2.477 1.00 0.00 H new ATOM 1908 N LYS A 57 8.457 0.298 -6.563 1.00 0.00 N ATOM 1909 CA LYS A 57 8.555 0.613 -8.019 1.00 0.00 C ATOM 1910 C LYS A 57 9.975 1.113 -8.314 1.00 0.00 C ATOM 1911 O LYS A 57 10.748 1.357 -7.408 1.00 0.00 O ATOM 1912 CB LYS A 57 7.528 1.710 -8.348 1.00 0.00 C ATOM 1913 CG LYS A 57 7.737 2.227 -9.774 1.00 0.00 C ATOM 1914 CD LYS A 57 6.507 3.027 -10.220 1.00 0.00 C ATOM 1915 CE LYS A 57 6.317 4.262 -9.326 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.516 5.283 -10.059 1.00 0.00 N ATOM 0 H LYS A 57 7.647 0.700 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 57 8.350 -0.269 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.518 1.315 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.625 2.532 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.626 2.856 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.905 1.391 -10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.624 3.337 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.619 2.397 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.812 3.982 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.286 4.675 -9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.084 6.145 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.244 4.908 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.660 5.510 -9.514 1.00 0.00 H new ATOM 1930 N VAL A 58 10.336 1.256 -9.558 1.00 0.00 N ATOM 1931 CA VAL A 58 11.715 1.728 -9.872 1.00 0.00 C ATOM 1932 C VAL A 58 11.980 3.039 -9.132 1.00 0.00 C ATOM 1933 O VAL A 58 11.118 3.889 -9.035 1.00 0.00 O ATOM 1934 CB VAL A 58 11.843 1.964 -11.376 1.00 0.00 C ATOM 1935 CG1 VAL A 58 13.268 2.417 -11.702 1.00 0.00 C ATOM 1936 CG2 VAL A 58 11.536 0.663 -12.118 1.00 0.00 C ATOM 0 H VAL A 58 9.742 1.069 -10.366 1.00 0.00 H new ATOM 0 HA VAL A 58 12.438 0.975 -9.558 1.00 0.00 H new ATOM 0 HB VAL A 58 11.139 2.736 -11.687 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.360 2.585 -12.775 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.486 3.343 -11.169 1.00 0.00 H new ATOM 0 HG13 VAL A 58 13.974 1.646 -11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.626 0.827 -13.192 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.241 -0.108 -11.808 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.521 0.341 -11.884 1.00 0.00 H new ATOM 1946 N SER A 59 13.163 3.215 -8.602 1.00 0.00 N ATOM 1947 CA SER A 59 13.460 4.476 -7.866 1.00 0.00 C ATOM 1948 C SER A 59 13.759 5.583 -8.873 1.00 0.00 C ATOM 1949 O SER A 59 14.810 6.192 -8.853 1.00 0.00 O ATOM 1950 CB SER A 59 14.673 4.272 -6.958 1.00 0.00 C ATOM 1951 OG SER A 59 15.714 3.653 -7.702 1.00 0.00 O ATOM 0 H SER A 59 13.930 2.544 -8.647 1.00 0.00 H new ATOM 0 HA SER A 59 12.600 4.753 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.012 5.230 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.402 3.652 -6.103 1.00 0.00 H new ATOM 0 HG SER A 59 16.495 3.521 -7.125 1.00 0.00 H new ATOM 1957 N SER A 60 12.841 5.842 -9.760 1.00 0.00 N ATOM 1958 CA SER A 60 13.067 6.900 -10.780 1.00 0.00 C ATOM 1959 C SER A 60 13.135 8.269 -10.106 1.00 0.00 C ATOM 1960 O SER A 60 12.334 8.601 -9.255 1.00 0.00 O ATOM 1961 CB SER A 60 11.920 6.883 -11.786 1.00 0.00 C ATOM 1962 OG SER A 60 12.011 5.707 -12.578 1.00 0.00 O ATOM 0 H SER A 60 11.942 5.365 -9.822 1.00 0.00 H new ATOM 0 HA SER A 60 14.010 6.710 -11.293 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.963 6.912 -11.265 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.964 7.768 -12.421 1.00 0.00 H new ATOM 0 HG SER A 60 11.275 5.691 -13.225 1.00 0.00 H new ATOM 1968 N LYS A 61 14.089 9.070 -10.492 1.00 0.00 N ATOM 1969 CA LYS A 61 14.229 10.430 -9.899 1.00 0.00 C ATOM 1970 C LYS A 61 14.864 11.344 -10.958 1.00 0.00 C ATOM 1971 O LYS A 61 15.708 10.920 -11.722 1.00 0.00 O ATOM 1972 CB LYS A 61 15.129 10.337 -8.646 1.00 0.00 C ATOM 1973 CG LYS A 61 14.714 11.373 -7.586 1.00 0.00 C ATOM 1974 CD LYS A 61 15.023 12.797 -8.078 1.00 0.00 C ATOM 1975 CE LYS A 61 15.157 13.749 -6.885 1.00 0.00 C ATOM 1976 NZ LYS A 61 15.577 15.091 -7.375 1.00 0.00 N ATOM 0 H LYS A 61 14.785 8.838 -11.201 1.00 0.00 H new ATOM 0 HA LYS A 61 13.262 10.835 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.066 9.334 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.169 10.499 -8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.649 11.278 -7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.244 11.181 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.945 12.797 -8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.229 13.141 -8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.207 13.823 -6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.889 13.362 -6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.670 15.742 -6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.492 15.012 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.863 15.458 -8.036 1.00 0.00 H new ATOM 1990 N GLY A 62 14.462 12.583 -11.021 1.00 0.00 N ATOM 1991 CA GLY A 62 15.047 13.501 -12.041 1.00 0.00 C ATOM 1992 C GLY A 62 16.477 13.866 -11.638 1.00 0.00 C ATOM 1993 O GLY A 62 17.039 13.288 -10.730 1.00 0.00 O ATOM 0 H GLY A 62 13.757 12.999 -10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.045 13.023 -13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.440 14.403 -12.125 1.00 0.00 H new ATOM 1997 N LYS A 63 17.080 14.813 -12.311 1.00 0.00 N ATOM 1998 CA LYS A 63 18.483 15.199 -11.969 1.00 0.00 C ATOM 1999 C LYS A 63 18.707 16.689 -12.232 1.00 0.00 C ATOM 2000 O LYS A 63 17.978 17.319 -12.972 1.00 0.00 O ATOM 2001 CB LYS A 63 19.449 14.381 -12.824 1.00 0.00 C ATOM 2002 CG LYS A 63 19.253 14.754 -14.289 1.00 0.00 C ATOM 2003 CD LYS A 63 20.026 13.779 -15.180 1.00 0.00 C ATOM 2004 CE LYS A 63 20.013 14.284 -16.625 1.00 0.00 C ATOM 2005 NZ LYS A 63 18.651 14.103 -17.201 1.00 0.00 N ATOM 0 H LYS A 63 16.662 15.335 -13.081 1.00 0.00 H new ATOM 0 HA LYS A 63 18.659 15.000 -10.912 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.478 14.575 -12.520 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.270 13.316 -12.680 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.193 14.729 -14.541 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.599 15.773 -14.464 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.053 13.683 -14.827 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.577 12.787 -15.127 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.296 15.336 -16.657 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.746 13.739 -17.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.662 14.366 -18.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.364 13.108 -17.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.976 14.708 -16.692 1.00 0.00 H new ATOM 2019 N LYS A 64 19.726 17.251 -11.626 1.00 0.00 N ATOM 2020 CA LYS A 64 20.038 18.701 -11.819 1.00 0.00 C ATOM 2021 C LYS A 64 21.488 18.835 -12.292 1.00 0.00 C ATOM 2022 O LYS A 64 22.352 18.078 -11.895 1.00 0.00 O ATOM 2023 CB LYS A 64 19.873 19.424 -10.482 1.00 0.00 C ATOM 2024 CG LYS A 64 18.431 19.256 -10.005 1.00 0.00 C ATOM 2025 CD LYS A 64 18.237 19.970 -8.667 1.00 0.00 C ATOM 2026 CE LYS A 64 16.790 19.786 -8.208 1.00 0.00 C ATOM 2027 NZ LYS A 64 16.602 20.427 -6.876 1.00 0.00 N ATOM 0 H LYS A 64 20.362 16.759 -10.998 1.00 0.00 H new ATOM 0 HA LYS A 64 19.366 19.137 -12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.564 19.016 -9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.113 20.481 -10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.744 19.663 -10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 64 18.195 18.197 -9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.922 19.566 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 64 18.467 21.030 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.108 20.228 -8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.549 18.725 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.617 20.301 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.242 19.986 -6.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.815 21.442 -6.946 1.00 0.00 H new ATOM 2041 N ARG A 65 21.765 19.790 -13.134 1.00 0.00 N ATOM 2042 CA ARG A 65 23.160 19.971 -13.626 1.00 0.00 C ATOM 2043 C ARG A 65 24.026 20.486 -12.474 1.00 0.00 C ATOM 2044 O ARG A 65 23.590 21.300 -11.685 1.00 0.00 O ATOM 2045 CB ARG A 65 23.159 21.007 -14.753 1.00 0.00 C ATOM 2046 CG ARG A 65 22.467 20.429 -15.988 1.00 0.00 C ATOM 2047 CD ARG A 65 22.262 21.541 -17.017 1.00 0.00 C ATOM 2048 NE ARG A 65 23.588 22.071 -17.443 1.00 0.00 N ATOM 2049 CZ ARG A 65 23.680 22.817 -18.508 1.00 0.00 C ATOM 2050 NH1 ARG A 65 22.609 23.115 -19.190 1.00 0.00 N ATOM 2051 NH2 ARG A 65 24.843 23.268 -18.889 1.00 0.00 N ATOM 0 H ARG A 65 21.085 20.454 -13.504 1.00 0.00 H new ATOM 0 HA ARG A 65 23.554 19.024 -13.994 1.00 0.00 H new ATOM 0 HB2 ARG A 65 22.646 21.912 -14.427 1.00 0.00 H new ATOM 0 HB3 ARG A 65 24.182 21.292 -14.998 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.070 19.628 -16.416 1.00 0.00 H new ATOM 0 HG3 ARG A 65 21.507 19.992 -15.711 1.00 0.00 H new ATOM 0 HD2 ARG A 65 21.717 21.158 -17.880 1.00 0.00 H new ATOM 0 HD3 ARG A 65 21.659 22.341 -16.589 1.00 0.00 H new ATOM 0 HE ARG A 65 24.424 21.850 -16.901 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.699 22.764 -18.890 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.681 23.699 -20.023 1.00 0.00 H new ATOM 0 HH21 ARG A 65 25.680 23.037 -18.354 1.00 0.00 H new ATOM 0 HH22 ARG A 65 24.916 23.852 -19.722 1.00 0.00 H new ATOM 2065 N ARG A 66 25.248 20.033 -12.359 1.00 0.00 N ATOM 2066 CA ARG A 66 26.106 20.533 -11.247 1.00 0.00 C ATOM 2067 C ARG A 66 26.550 21.962 -11.557 1.00 0.00 C ATOM 2068 O ARG A 66 26.234 22.439 -12.634 1.00 0.00 O ATOM 2069 CB ARG A 66 27.344 19.646 -11.074 1.00 0.00 C ATOM 2070 CG ARG A 66 26.935 18.285 -10.509 1.00 0.00 C ATOM 2071 CD ARG A 66 28.188 17.449 -10.236 1.00 0.00 C ATOM 2072 NE ARG A 66 28.918 17.217 -11.513 1.00 0.00 N ATOM 2073 CZ ARG A 66 30.151 16.785 -11.494 1.00 0.00 C ATOM 2074 NH1 ARG A 66 30.756 16.571 -10.357 1.00 0.00 N ATOM 2075 NH2 ARG A 66 30.780 16.570 -12.617 1.00 0.00 N ATOM 2076 OXT ARG A 66 27.198 22.557 -10.711 1.00 0.00 O ATOM 0 H ARG A 66 25.683 19.349 -12.978 1.00 0.00 H new ATOM 0 HA ARG A 66 25.528 20.510 -10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 66 27.845 19.515 -12.033 1.00 0.00 H new ATOM 0 HB3 ARG A 66 28.057 20.128 -10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 66 26.365 18.417 -9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 66 26.285 17.767 -11.214 1.00 0.00 H new ATOM 0 HD2 ARG A 66 28.833 17.963 -9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 66 27.911 16.496 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 66 28.455 17.396 -12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 66 30.266 16.741 -9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 66 31.719 16.234 -10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 66 30.309 16.739 -13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 66 31.743 16.233 -12.606 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -11.901 2.908 2.197 1.00 0.00 ZN