USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 913 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot -150:sc= 0.095 USER MOD Set 1.2: A 29 ASN : amide:sc= -8.02! C(o=-8.1!,f=-7.9!) USER MOD Set 1.3: C 125 DT C7 :methyl 150:sc= -0.157 (180deg=-0.126) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot 44:sc= 0.224 USER MOD Single : A 1 LYS N :NH3+ -164:sc= -0.0152 (180deg=-0.24) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 21:sc= 0.299 USER MOD Single : A 8 SER OG : rot 81:sc= 0.58 USER MOD Single : A 9 ASN : amide:sc= -3.74! C(o=-3.7!,f=-3.8!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 13 SER OG : rot 6:sc= 0.743 USER MOD Single : A 15 THR OG1 : rot -135:sc= 0.57 USER MOD Single : A 21 SER OG : rot -102:sc= -0.0591 USER MOD Single : A 23 MET CE :methyl 180:sc= -0.201 (180deg=-0.201) 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= -9.56! C(o=-9.6!,f=-8.3!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 41 ASN : amide:sc= -1.36 K(o=-1.4,f=-8.4!) USER MOD Single : A 45 THR OG1 : rot -21:sc= 0.387 USER MOD Single : A 46 MET CE :methyl -178:sc= -0.873 (180deg=-0.895) USER MOD Single : A 48 LYS NZ :NH3+ 137:sc= -1.41 (180deg=-3.5!) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 55 ASN : amide:sc= -0.422 K(o=-0.42,f=-5.4!) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= 0.34 (180deg=0.326) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -65:sc= 0.637 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.103) USER MOD Single : B 101 DG O5' : rot 66:sc= -0.891! USER MOD Single : B 102 DT C7 :methyl -30:sc= -1.58 (180deg=-2.42!) USER MOD Single : B 103 DT C7 :methyl -30:sc= -1.37 (180deg=-1.8!) USER MOD Single : B 109 DT C7 :methyl -30:sc= -2.36! (180deg=-2.58!) USER MOD Single : B 115 DT C7 :methyl 150:sc= -0.205 (180deg=-0.205) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.5 (180deg=-0.5) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 16:sc= -2.12! USER MOD Single : C 119 DT C7 :methyl 150:sc= -0.882 (180deg=-0.882) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.747 (180deg=-0.747) USER MOD Single : C 122 DT C7 :methyl 150:sc= -0.308 (180deg=-0.308) USER MOD Single : C 123 DT C7 :methyl -30:sc= -1.39 (180deg=-2.24!) USER MOD Single : C 127 DT C7 :methyl -30:sc= -1.4 (180deg=-1.59!) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 19.347 23.256 4.864 1.00 0.00 O ATOM 2 C5' DG B 101 20.139 22.976 6.022 1.00 0.00 C ATOM 3 C4' DG B 101 19.361 22.152 7.052 1.00 0.00 C ATOM 4 O4' DG B 101 18.319 22.960 7.648 1.00 0.00 O ATOM 5 C3' DG B 101 18.699 20.924 6.415 1.00 0.00 C ATOM 6 O3' DG B 101 19.009 19.740 7.154 1.00 0.00 O ATOM 7 C2' DG B 101 17.214 21.191 6.464 1.00 0.00 C ATOM 8 C1' DG B 101 17.015 22.478 7.256 1.00 0.00 C ATOM 9 N9 DG B 101 16.304 23.500 6.456 1.00 0.00 N ATOM 10 C8 DG B 101 16.581 23.967 5.202 1.00 0.00 C ATOM 11 N7 DG B 101 15.785 24.903 4.772 1.00 0.00 N ATOM 12 C5 DG B 101 14.896 25.077 5.832 1.00 0.00 C ATOM 13 C6 DG B 101 13.793 25.965 5.960 1.00 0.00 C ATOM 14 O6 DG B 101 13.376 26.788 5.147 1.00 0.00 O ATOM 15 N1 DG B 101 13.164 25.820 7.190 1.00 0.00 N ATOM 16 C2 DG B 101 13.541 24.929 8.173 1.00 0.00 C ATOM 17 N2 DG B 101 12.794 24.915 9.277 1.00 0.00 N ATOM 18 N3 DG B 101 14.578 24.094 8.056 1.00 0.00 N ATOM 19 C4 DG B 101 15.207 24.222 6.866 1.00 0.00 C ATOM 0 H5' DG B 101 20.465 23.912 6.475 1.00 0.00 H new ATOM 0 H5'' DG B 101 21.038 22.435 5.726 1.00 0.00 H new ATOM 0 H4' DG B 101 20.078 21.823 7.805 1.00 0.00 H new ATOM 0 H3' DG B 101 19.053 20.766 5.396 1.00 0.00 H new ATOM 0 H2' DG B 101 16.807 21.291 5.458 1.00 0.00 H new ATOM 0 H2'' DG B 101 16.689 20.362 6.938 1.00 0.00 H new ATOM 0 HO5' DG B 101 18.601 23.841 5.112 1.00 0.00 H new ATOM 0 H1' DG B 101 16.400 22.278 8.133 1.00 0.00 H new ATOM 0 H8 DG B 101 17.401 23.587 4.611 1.00 0.00 H new ATOM 0 H1 DG B 101 12.361 26.419 7.381 1.00 0.00 H new ATOM 0 H21 DG B 101 13.023 24.277 10.040 1.00 0.00 H new ATOM 0 H22 DG B 101 11.994 25.542 9.359 1.00 0.00 H new ATOM 32 P DT B 102 18.432 18.310 6.688 1.00 0.00 P ATOM 33 OP1 DT B 102 19.329 17.257 7.216 1.00 0.00 O ATOM 34 OP2 DT B 102 18.145 18.376 5.238 1.00 0.00 O ATOM 35 O5' DT B 102 17.029 18.215 7.479 1.00 0.00 O ATOM 36 C5' DT B 102 17.024 18.182 8.907 1.00 0.00 C ATOM 37 C4' DT B 102 15.610 18.092 9.496 1.00 0.00 C ATOM 38 O4' DT B 102 14.896 19.339 9.310 1.00 0.00 O ATOM 39 C3' DT B 102 14.774 16.974 8.857 1.00 0.00 C ATOM 40 O3' DT B 102 14.406 16.005 9.845 1.00 0.00 O ATOM 41 C2' DT B 102 13.534 17.649 8.315 1.00 0.00 C ATOM 42 C1' DT B 102 13.555 19.084 8.831 1.00 0.00 C ATOM 43 N1 DT B 102 13.160 20.074 7.781 1.00 0.00 N ATOM 44 C2 DT B 102 12.078 20.913 8.041 1.00 0.00 C ATOM 45 O2 DT B 102 11.432 20.838 9.084 1.00 0.00 O ATOM 46 N3 DT B 102 11.770 21.837 7.058 1.00 0.00 N ATOM 47 C4 DT B 102 12.432 21.997 5.855 1.00 0.00 C ATOM 48 O4 DT B 102 12.075 22.856 5.052 1.00 0.00 O ATOM 49 C5 DT B 102 13.537 21.082 5.664 1.00 0.00 C ATOM 50 C7 DT B 102 14.327 21.141 4.353 1.00 0.00 C ATOM 51 C6 DT B 102 13.860 20.171 6.615 1.00 0.00 C ATOM 0 H5' DT B 102 17.515 19.078 9.288 1.00 0.00 H new ATOM 0 H5'' DT B 102 17.609 17.328 9.248 1.00 0.00 H new ATOM 0 H4' DT B 102 15.742 17.874 10.556 1.00 0.00 H new ATOM 0 H3' DT B 102 15.330 16.454 8.076 1.00 0.00 H new ATOM 0 H2' DT B 102 13.528 17.630 7.225 1.00 0.00 H new ATOM 0 H2'' DT B 102 12.635 17.131 8.648 1.00 0.00 H new ATOM 0 H1' DT B 102 12.823 19.200 9.630 1.00 0.00 H new ATOM 0 H3 DT B 102 10.981 22.458 7.238 1.00 0.00 H new ATOM 0 H71 DT B 102 13.672 21.473 3.548 1.00 0.00 H new ATOM 0 H72 DT B 102 15.155 21.842 4.459 1.00 0.00 H new ATOM 0 H73 DT B 102 14.717 20.151 4.118 1.00 0.00 H new ATOM 0 H6 DT B 102 14.693 19.505 6.444 1.00 0.00 H new ATOM 64 P DT B 103 13.522 14.712 9.461 1.00 0.00 P ATOM 65 OP1 DT B 103 13.796 13.655 10.459 1.00 0.00 O ATOM 66 OP2 DT B 103 13.712 14.432 8.021 1.00 0.00 O ATOM 67 O5' DT B 103 12.012 15.238 9.680 1.00 0.00 O ATOM 68 C5' DT B 103 11.596 15.670 10.979 1.00 0.00 C ATOM 69 C4' DT B 103 10.152 16.193 11.008 1.00 0.00 C ATOM 70 O4' DT B 103 10.064 17.464 10.323 1.00 0.00 O ATOM 71 C3' DT B 103 9.155 15.229 10.345 1.00 0.00 C ATOM 72 O3' DT B 103 8.205 14.762 11.309 1.00 0.00 O ATOM 73 C2' DT B 103 8.442 16.048 9.288 1.00 0.00 C ATOM 74 C1' DT B 103 8.904 17.493 9.470 1.00 0.00 C ATOM 75 N1 DT B 103 9.220 18.135 8.165 1.00 0.00 N ATOM 76 C2 DT B 103 8.518 19.276 7.798 1.00 0.00 C ATOM 77 O2 DT B 103 7.631 19.752 8.504 1.00 0.00 O ATOM 78 N3 DT B 103 8.871 19.844 6.589 1.00 0.00 N ATOM 79 C4 DT B 103 9.847 19.378 5.725 1.00 0.00 C ATOM 80 O4 DT B 103 10.085 19.963 4.675 1.00 0.00 O ATOM 81 C5 DT B 103 10.520 18.186 6.183 1.00 0.00 C ATOM 82 C7 DT B 103 11.597 17.553 5.295 1.00 0.00 C ATOM 83 C6 DT B 103 10.192 17.617 7.366 1.00 0.00 C ATOM 0 H5' DT B 103 12.267 16.455 11.326 1.00 0.00 H new ATOM 0 H5'' DT B 103 11.689 14.839 11.678 1.00 0.00 H new ATOM 0 H4' DT B 103 9.889 16.294 12.061 1.00 0.00 H new ATOM 0 H3' DT B 103 9.657 14.358 9.924 1.00 0.00 H new ATOM 0 H2' DT B 103 8.685 15.687 8.289 1.00 0.00 H new ATOM 0 H2'' DT B 103 7.361 15.970 9.401 1.00 0.00 H new ATOM 0 H1' DT B 103 8.108 18.087 9.919 1.00 0.00 H new ATOM 0 H3 DT B 103 8.366 20.684 6.307 1.00 0.00 H new ATOM 0 H71 DT B 103 11.367 17.750 4.248 1.00 0.00 H new ATOM 0 H72 DT B 103 12.569 17.982 5.540 1.00 0.00 H new ATOM 0 H73 DT B 103 11.622 16.477 5.465 1.00 0.00 H new ATOM 0 H6 DT B 103 10.716 16.728 7.685 1.00 0.00 H new ATOM 96 P DG B 104 7.165 13.580 10.957 1.00 0.00 P ATOM 97 OP1 DG B 104 6.760 12.934 12.225 1.00 0.00 O ATOM 98 OP2 DG B 104 7.743 12.763 9.867 1.00 0.00 O ATOM 99 O5' DG B 104 5.891 14.377 10.371 1.00 0.00 O ATOM 100 C5' DG B 104 5.210 15.335 11.182 1.00 0.00 C ATOM 101 C4' DG B 104 4.034 15.993 10.447 1.00 0.00 C ATOM 102 O4' DG B 104 4.535 16.861 9.402 1.00 0.00 O ATOM 103 C3' DG B 104 3.112 14.958 9.796 1.00 0.00 C ATOM 104 O3' DG B 104 1.743 15.249 10.111 1.00 0.00 O ATOM 105 C2' DG B 104 3.324 15.117 8.309 1.00 0.00 C ATOM 106 C1' DG B 104 4.067 16.430 8.103 1.00 0.00 C ATOM 107 N9 DG B 104 5.203 16.278 7.161 1.00 0.00 N ATOM 108 C8 DG B 104 6.204 15.349 7.153 1.00 0.00 C ATOM 109 N7 DG B 104 7.094 15.501 6.216 1.00 0.00 N ATOM 110 C5 DG B 104 6.645 16.628 5.527 1.00 0.00 C ATOM 111 C6 DG B 104 7.203 17.292 4.395 1.00 0.00 C ATOM 112 O6 DG B 104 8.229 17.017 3.773 1.00 0.00 O ATOM 113 N1 DG B 104 6.436 18.386 4.017 1.00 0.00 N ATOM 114 C2 DG B 104 5.278 18.796 4.644 1.00 0.00 C ATOM 115 N2 DG B 104 4.677 19.868 4.125 1.00 0.00 N ATOM 116 N3 DG B 104 4.751 18.179 5.708 1.00 0.00 N ATOM 117 C4 DG B 104 5.484 17.107 6.095 1.00 0.00 C ATOM 0 H5' DG B 104 5.914 16.105 11.499 1.00 0.00 H new ATOM 0 H5'' DG B 104 4.843 14.847 12.085 1.00 0.00 H new ATOM 0 H4' DG B 104 3.467 16.554 11.190 1.00 0.00 H new ATOM 0 H3' DG B 104 3.329 13.948 10.145 1.00 0.00 H new ATOM 0 H2' DG B 104 3.899 14.282 7.910 1.00 0.00 H new ATOM 0 H2'' DG B 104 2.370 15.127 7.782 1.00 0.00 H new ATOM 0 H1' DG B 104 3.400 17.170 7.661 1.00 0.00 H new ATOM 0 H8 DG B 104 6.253 14.546 7.873 1.00 0.00 H new ATOM 0 H1 DG B 104 6.753 18.928 3.214 1.00 0.00 H new ATOM 0 H21 DG B 104 3.816 20.222 4.542 1.00 0.00 H new ATOM 0 H22 DG B 104 5.078 20.333 3.311 1.00 0.00 H new ATOM 129 P DC B 105 0.536 14.325 9.562 1.00 0.00 P ATOM 130 OP1 DC B 105 -0.612 14.482 10.484 1.00 0.00 O ATOM 131 OP2 DC B 105 1.079 12.976 9.294 1.00 0.00 O ATOM 132 O5' DC B 105 0.141 15.000 8.148 1.00 0.00 O ATOM 133 C5' DC B 105 -0.306 16.358 8.097 1.00 0.00 C ATOM 134 C4' DC B 105 -0.635 16.825 6.669 1.00 0.00 C ATOM 135 O4' DC B 105 0.570 16.970 5.872 1.00 0.00 O ATOM 136 C3' DC B 105 -1.561 15.856 5.924 1.00 0.00 C ATOM 137 O3' DC B 105 -2.723 16.564 5.490 1.00 0.00 O ATOM 138 C2' DC B 105 -0.782 15.364 4.732 1.00 0.00 C ATOM 139 C1' DC B 105 0.428 16.270 4.608 1.00 0.00 C ATOM 140 N1 DC B 105 1.663 15.507 4.284 1.00 0.00 N ATOM 141 C2 DC B 105 2.346 15.814 3.108 1.00 0.00 C ATOM 142 O2 DC B 105 1.898 16.663 2.341 1.00 0.00 O ATOM 143 N3 DC B 105 3.506 15.152 2.845 1.00 0.00 N ATOM 144 C4 DC B 105 3.980 14.230 3.694 1.00 0.00 C ATOM 145 N4 DC B 105 5.111 13.591 3.397 1.00 0.00 N ATOM 146 C5 DC B 105 3.282 13.914 4.898 1.00 0.00 C ATOM 147 C6 DC B 105 2.133 14.572 5.145 1.00 0.00 C ATOM 0 H5' DC B 105 0.464 17.005 8.517 1.00 0.00 H new ATOM 0 H5'' DC B 105 -1.191 16.468 8.723 1.00 0.00 H new ATOM 0 H4' DC B 105 -1.140 17.783 6.791 1.00 0.00 H new ATOM 0 H3' DC B 105 -1.879 15.026 6.555 1.00 0.00 H new ATOM 0 H2' DC B 105 -0.478 14.326 4.868 1.00 0.00 H new ATOM 0 H2'' DC B 105 -1.390 15.402 3.828 1.00 0.00 H new ATOM 0 H1' DC B 105 0.282 16.972 3.787 1.00 0.00 H new ATOM 0 H41 DC B 105 5.482 12.887 4.035 1.00 0.00 H new ATOM 0 H42 DC B 105 5.606 13.806 2.531 1.00 0.00 H new ATOM 0 H5 DC B 105 3.662 13.174 5.587 1.00 0.00 H new ATOM 0 H6 DC B 105 1.577 14.351 6.044 1.00 0.00 H new ATOM 159 P DA B 106 -3.909 15.850 4.672 1.00 0.00 P ATOM 160 OP1 DA B 106 -5.171 16.564 4.961 1.00 0.00 O ATOM 161 OP2 DA B 106 -3.814 14.390 4.903 1.00 0.00 O ATOM 162 O5' DA B 106 -3.498 16.144 3.136 1.00 0.00 O ATOM 163 C5' DA B 106 -3.382 17.500 2.681 1.00 0.00 C ATOM 164 C4' DA B 106 -2.985 17.604 1.198 1.00 0.00 C ATOM 165 O4' DA B 106 -1.607 17.192 0.997 1.00 0.00 O ATOM 166 C3' DA B 106 -3.875 16.722 0.314 1.00 0.00 C ATOM 167 O3' DA B 106 -4.493 17.502 -0.709 1.00 0.00 O ATOM 168 C2' DA B 106 -2.947 15.711 -0.326 1.00 0.00 C ATOM 169 C1' DA B 106 -1.524 16.148 -0.003 1.00 0.00 C ATOM 170 N9 DA B 106 -0.729 15.017 0.487 1.00 0.00 N ATOM 171 C8 DA B 106 -1.009 14.205 1.521 1.00 0.00 C ATOM 172 N7 DA B 106 -0.121 13.294 1.776 1.00 0.00 N ATOM 173 C5 DA B 106 0.846 13.523 0.799 1.00 0.00 C ATOM 174 C6 DA B 106 2.061 12.895 0.504 1.00 0.00 C ATOM 175 N6 DA B 106 2.537 11.864 1.202 1.00 0.00 N ATOM 176 N1 DA B 106 2.767 13.373 -0.536 1.00 0.00 N ATOM 177 C2 DA B 106 2.307 14.406 -1.242 1.00 0.00 C ATOM 178 N3 DA B 106 1.170 15.075 -1.044 1.00 0.00 N ATOM 179 C4 DA B 106 0.483 14.573 0.004 1.00 0.00 C ATOM 0 H5' DA B 106 -2.640 18.019 3.288 1.00 0.00 H new ATOM 0 H5'' DA B 106 -4.332 18.011 2.834 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.110 18.650 0.917 1.00 0.00 H new ATOM 0 H3' DA B 106 -4.665 16.250 0.899 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.141 14.710 0.061 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.103 15.672 -1.404 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.028 16.520 -0.900 1.00 0.00 H new ATOM 0 H8 DA B 106 -1.914 14.304 2.102 1.00 0.00 H new ATOM 0 H61 DA B 106 3.429 11.442 0.944 1.00 0.00 H new ATOM 0 H62 DA B 106 2.009 11.497 1.994 1.00 0.00 H new ATOM 0 H2 DA B 106 2.923 14.738 -2.065 1.00 0.00 H new ATOM 191 P DG B 107 -5.487 16.798 -1.757 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.402 17.831 -2.295 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.037 15.575 -1.131 1.00 0.00 O ATOM 194 O5' DG B 107 -4.474 16.362 -2.927 1.00 0.00 O ATOM 195 C5' DG B 107 -3.705 17.340 -3.622 1.00 0.00 C ATOM 196 C4' DG B 107 -2.741 16.697 -4.624 1.00 0.00 C ATOM 197 O4' DG B 107 -1.659 16.000 -3.946 1.00 0.00 O ATOM 198 C3' DG B 107 -3.445 15.682 -5.534 1.00 0.00 C ATOM 199 O3' DG B 107 -3.323 16.079 -6.906 1.00 0.00 O ATOM 200 C2' DG B 107 -2.741 14.368 -5.291 1.00 0.00 C ATOM 201 C1' DG B 107 -1.455 14.706 -4.560 1.00 0.00 C ATOM 202 N9 DG B 107 -1.083 13.666 -3.562 1.00 0.00 N ATOM 203 C8 DG B 107 -1.751 13.238 -2.440 1.00 0.00 C ATOM 204 N7 DG B 107 -1.132 12.349 -1.740 1.00 0.00 N ATOM 205 C5 DG B 107 0.048 12.145 -2.434 1.00 0.00 C ATOM 206 C6 DG B 107 1.123 11.271 -2.137 1.00 0.00 C ATOM 207 O6 DG B 107 1.236 10.509 -1.181 1.00 0.00 O ATOM 208 N1 DG B 107 2.126 11.351 -3.092 1.00 0.00 N ATOM 209 C2 DG B 107 2.104 12.174 -4.194 1.00 0.00 C ATOM 210 N2 DG B 107 3.159 12.081 -5.010 1.00 0.00 N ATOM 211 N3 DG B 107 1.091 13.009 -4.478 1.00 0.00 N ATOM 212 C4 DG B 107 0.097 12.940 -3.555 1.00 0.00 C ATOM 0 H5' DG B 107 -3.140 17.936 -2.905 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.373 18.023 -4.147 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.349 17.518 -5.224 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.511 15.610 -5.320 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.362 13.698 -4.697 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.532 13.859 -6.232 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.617 14.737 -5.256 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.724 13.618 -2.164 1.00 0.00 H new ATOM 0 H1 DG B 107 2.943 10.753 -2.967 1.00 0.00 H new ATOM 0 H21 DG B 107 3.209 12.662 -5.847 1.00 0.00 H new ATOM 0 H22 DG B 107 3.914 11.429 -4.796 1.00 0.00 H new ATOM 224 P DA B 108 -3.968 15.199 -8.093 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.424 16.123 -9.156 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.918 14.234 -7.498 1.00 0.00 O ATOM 227 O5' DA B 108 -2.691 14.379 -8.651 1.00 0.00 O ATOM 228 C5' DA B 108 -1.572 15.111 -9.170 1.00 0.00 C ATOM 229 C4' DA B 108 -0.427 14.215 -9.667 1.00 0.00 C ATOM 230 O4' DA B 108 0.258 13.571 -8.558 1.00 0.00 O ATOM 231 C3' DA B 108 -0.907 13.111 -10.613 1.00 0.00 C ATOM 232 O3' DA B 108 -0.156 13.156 -11.832 1.00 0.00 O ATOM 233 C2' DA B 108 -0.671 11.816 -9.880 1.00 0.00 C ATOM 234 C1' DA B 108 0.295 12.135 -8.756 1.00 0.00 C ATOM 235 N9 DA B 108 -0.056 11.418 -7.512 1.00 0.00 N ATOM 236 C8 DA B 108 -1.229 11.441 -6.811 1.00 0.00 C ATOM 237 N7 DA B 108 -1.216 10.789 -5.693 1.00 0.00 N ATOM 238 C5 DA B 108 0.077 10.279 -5.640 1.00 0.00 C ATOM 239 C6 DA B 108 0.737 9.491 -4.698 1.00 0.00 C ATOM 240 N6 DA B 108 0.184 9.129 -3.552 1.00 0.00 N ATOM 241 N1 DA B 108 2.006 9.148 -4.948 1.00 0.00 N ATOM 242 C2 DA B 108 2.604 9.562 -6.056 1.00 0.00 C ATOM 243 N3 DA B 108 2.079 10.326 -7.019 1.00 0.00 N ATOM 244 C4 DA B 108 0.793 10.648 -6.740 1.00 0.00 C ATOM 0 H5' DA B 108 -1.192 15.775 -8.394 1.00 0.00 H new ATOM 0 H5'' DA B 108 -1.911 15.742 -9.992 1.00 0.00 H new ATOM 0 H4' DA B 108 0.247 14.882 -10.205 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.958 13.224 -10.881 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.606 11.415 -9.488 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.256 11.061 -10.548 1.00 0.00 H new ATOM 0 H1' DA B 108 1.300 11.806 -9.020 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.104 11.966 -7.165 1.00 0.00 H new ATOM 0 H61 DA B 108 0.707 8.551 -2.894 1.00 0.00 H new ATOM 0 H62 DA B 108 -0.765 9.428 -3.327 1.00 0.00 H new ATOM 0 H2 DA B 108 3.628 9.248 -6.196 1.00 0.00 H new ATOM 256 P DT B 109 -0.429 12.115 -13.030 1.00 0.00 P ATOM 257 OP1 DT B 109 -0.212 12.808 -14.318 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.714 11.429 -12.765 1.00 0.00 O ATOM 259 O5' DT B 109 0.759 11.043 -12.821 1.00 0.00 O ATOM 260 C5' DT B 109 2.120 11.491 -12.890 1.00 0.00 C ATOM 261 C4' DT B 109 3.127 10.361 -12.670 1.00 0.00 C ATOM 262 O4' DT B 109 3.054 9.851 -11.318 1.00 0.00 O ATOM 263 C3' DT B 109 2.900 9.192 -13.636 1.00 0.00 C ATOM 264 O3' DT B 109 4.069 8.997 -14.426 1.00 0.00 O ATOM 265 C2' DT B 109 2.644 7.983 -12.763 1.00 0.00 C ATOM 266 C1' DT B 109 2.938 8.412 -11.332 1.00 0.00 C ATOM 267 N1 DT B 109 1.873 7.966 -10.398 1.00 0.00 N ATOM 268 C2 DT B 109 2.222 7.121 -9.354 1.00 0.00 C ATOM 269 O2 DT B 109 3.363 6.686 -9.221 1.00 0.00 O ATOM 270 N3 DT B 109 1.210 6.793 -8.475 1.00 0.00 N ATOM 271 C4 DT B 109 -0.099 7.231 -8.543 1.00 0.00 C ATOM 272 O4 DT B 109 -0.917 6.882 -7.704 1.00 0.00 O ATOM 273 C5 DT B 109 -0.375 8.104 -9.657 1.00 0.00 C ATOM 274 C7 DT B 109 -1.790 8.675 -9.813 1.00 0.00 C ATOM 275 C6 DT B 109 0.602 8.435 -10.536 1.00 0.00 C ATOM 0 H5' DT B 109 2.281 12.266 -12.141 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.299 11.947 -13.864 1.00 0.00 H new ATOM 0 H4' DT B 109 4.111 10.793 -12.854 1.00 0.00 H new ATOM 0 H3' DT B 109 2.067 9.373 -14.315 1.00 0.00 H new ATOM 0 H2' DT B 109 1.613 7.644 -12.862 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.283 7.150 -13.057 1.00 0.00 H new ATOM 0 H1' DT B 109 3.865 7.949 -10.995 1.00 0.00 H new ATOM 0 H3 DT B 109 1.450 6.170 -7.704 1.00 0.00 H new ATOM 0 H71 DT B 109 -2.514 7.972 -9.401 1.00 0.00 H new ATOM 0 H72 DT B 109 -1.861 9.623 -9.279 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.003 8.837 -10.870 1.00 0.00 H new ATOM 0 H6 DT B 109 0.367 9.086 -11.365 1.00 0.00 H new ATOM 288 P DA B 110 4.112 7.942 -15.636 1.00 0.00 P ATOM 289 OP1 DA B 110 5.264 8.274 -16.506 1.00 0.00 O ATOM 290 OP2 DA B 110 2.753 7.839 -16.211 1.00 0.00 O ATOM 291 O5' DA B 110 4.438 6.575 -14.860 1.00 0.00 O ATOM 292 C5' DA B 110 5.640 6.467 -14.105 1.00 0.00 C ATOM 293 C4' DA B 110 5.780 5.097 -13.438 1.00 0.00 C ATOM 294 O4' DA B 110 4.780 4.955 -12.388 1.00 0.00 O ATOM 295 C3' DA B 110 5.573 3.948 -14.427 1.00 0.00 C ATOM 296 O3' DA B 110 6.663 3.032 -14.317 1.00 0.00 O ATOM 297 C2' DA B 110 4.286 3.272 -14.023 1.00 0.00 C ATOM 298 C1' DA B 110 3.891 3.842 -12.672 1.00 0.00 C ATOM 299 N9 DA B 110 2.465 4.259 -12.654 1.00 0.00 N ATOM 300 C8 DA B 110 1.784 5.070 -13.520 1.00 0.00 C ATOM 301 N7 DA B 110 0.530 5.265 -13.225 1.00 0.00 N ATOM 302 C5 DA B 110 0.359 4.520 -12.057 1.00 0.00 C ATOM 303 C6 DA B 110 -0.750 4.296 -11.222 1.00 0.00 C ATOM 304 N6 DA B 110 -1.951 4.840 -11.437 1.00 0.00 N ATOM 305 N1 DA B 110 -0.571 3.501 -10.153 1.00 0.00 N ATOM 306 C2 DA B 110 0.624 2.958 -9.914 1.00 0.00 C ATOM 307 N3 DA B 110 1.733 3.105 -10.636 1.00 0.00 N ATOM 308 C4 DA B 110 1.527 3.905 -11.703 1.00 0.00 C ATOM 0 H5' DA B 110 5.659 7.245 -13.342 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.495 6.641 -14.759 1.00 0.00 H new ATOM 0 H4' DA B 110 6.792 5.045 -13.037 1.00 0.00 H new ATOM 0 H3' DA B 110 5.526 4.300 -15.458 1.00 0.00 H new ATOM 0 H2' DA B 110 3.506 3.455 -14.762 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.420 2.192 -13.962 1.00 0.00 H new ATOM 0 H1' DA B 110 3.990 3.080 -11.899 1.00 0.00 H new ATOM 0 H8 DA B 110 2.252 5.516 -14.385 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.722 4.643 -10.798 1.00 0.00 H new ATOM 0 H62 DA B 110 -2.097 5.452 -12.240 1.00 0.00 H new ATOM 0 H2 DA B 110 0.700 2.330 -9.039 1.00 0.00 H new ATOM 320 P DA B 111 6.754 1.706 -15.223 1.00 0.00 P ATOM 321 OP1 DA B 111 8.182 1.353 -15.388 1.00 0.00 O ATOM 322 OP2 DA B 111 5.893 1.892 -16.411 1.00 0.00 O ATOM 323 O5' DA B 111 6.068 0.608 -14.262 1.00 0.00 O ATOM 324 C5' DA B 111 6.648 0.345 -12.982 1.00 0.00 C ATOM 325 C4' DA B 111 5.864 -0.692 -12.169 1.00 0.00 C ATOM 326 O4' DA B 111 4.605 -0.135 -11.720 1.00 0.00 O ATOM 327 C3' DA B 111 5.565 -1.964 -12.975 1.00 0.00 C ATOM 328 O3' DA B 111 6.195 -3.087 -12.360 1.00 0.00 O ATOM 329 C2' DA B 111 4.057 -2.129 -12.932 1.00 0.00 C ATOM 330 C1' DA B 111 3.514 -1.034 -12.016 1.00 0.00 C ATOM 331 N9 DA B 111 2.403 -0.316 -12.671 1.00 0.00 N ATOM 332 C8 DA B 111 2.403 0.331 -13.868 1.00 0.00 C ATOM 333 N7 DA B 111 1.267 0.851 -14.219 1.00 0.00 N ATOM 334 C5 DA B 111 0.429 0.521 -13.158 1.00 0.00 C ATOM 335 C6 DA B 111 -0.923 0.775 -12.908 1.00 0.00 C ATOM 336 N6 DA B 111 -1.707 1.441 -13.758 1.00 0.00 N ATOM 337 N1 DA B 111 -1.438 0.306 -11.760 1.00 0.00 N ATOM 338 C2 DA B 111 -0.672 -0.375 -10.909 1.00 0.00 C ATOM 339 N3 DA B 111 0.619 -0.674 -11.049 1.00 0.00 N ATOM 340 C4 DA B 111 1.110 -0.190 -12.208 1.00 0.00 C ATOM 0 H5' DA B 111 6.703 1.275 -12.417 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.671 -0.006 -13.118 1.00 0.00 H new ATOM 0 H4' DA B 111 6.494 -0.957 -11.320 1.00 0.00 H new ATOM 0 H3' DA B 111 5.936 -1.894 -13.997 1.00 0.00 H new ATOM 0 H2' DA B 111 3.631 -2.042 -13.931 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.788 -3.116 -12.555 1.00 0.00 H new ATOM 0 H1' DA B 111 3.121 -1.464 -11.095 1.00 0.00 H new ATOM 0 H8 DA B 111 3.287 0.407 -14.483 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.688 1.600 -13.529 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.325 1.791 -14.637 1.00 0.00 H new ATOM 0 H2 DA B 111 -1.150 -0.723 -10.006 1.00 0.00 H new ATOM 352 P DA B 112 6.117 -4.560 -13.007 1.00 0.00 P ATOM 353 OP1 DA B 112 7.278 -5.342 -12.522 1.00 0.00 O ATOM 354 OP2 DA B 112 5.875 -4.419 -14.459 1.00 0.00 O ATOM 355 O5' DA B 112 4.789 -5.154 -12.325 1.00 0.00 O ATOM 356 C5' DA B 112 4.723 -5.269 -10.906 1.00 0.00 C ATOM 357 C4' DA B 112 3.384 -5.832 -10.429 1.00 0.00 C ATOM 358 O4' DA B 112 2.325 -4.867 -10.694 1.00 0.00 O ATOM 359 C3' DA B 112 3.006 -7.133 -11.150 1.00 0.00 C ATOM 360 O3' DA B 112 2.585 -8.109 -10.189 1.00 0.00 O ATOM 361 C2' DA B 112 1.859 -6.782 -12.050 1.00 0.00 C ATOM 362 C1' DA B 112 1.319 -5.451 -11.561 1.00 0.00 C ATOM 363 N9 DA B 112 0.968 -4.566 -12.697 1.00 0.00 N ATOM 364 C8 DA B 112 1.701 -4.236 -13.803 1.00 0.00 C ATOM 365 N7 DA B 112 1.108 -3.443 -14.644 1.00 0.00 N ATOM 366 C5 DA B 112 -0.133 -3.226 -14.050 1.00 0.00 C ATOM 367 C6 DA B 112 -1.247 -2.476 -14.438 1.00 0.00 C ATOM 368 N6 DA B 112 -1.296 -1.777 -15.572 1.00 0.00 N ATOM 369 N1 DA B 112 -2.312 -2.480 -13.620 1.00 0.00 N ATOM 370 C2 DA B 112 -2.284 -3.181 -12.487 1.00 0.00 C ATOM 371 N3 DA B 112 -1.281 -3.924 -12.026 1.00 0.00 N ATOM 372 C4 DA B 112 -0.227 -3.901 -12.866 1.00 0.00 C ATOM 0 H5' DA B 112 4.883 -4.289 -10.457 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.530 -5.914 -10.558 1.00 0.00 H new ATOM 0 H4' DA B 112 3.492 -6.034 -9.363 1.00 0.00 H new ATOM 0 H3' DA B 112 3.846 -7.547 -11.708 1.00 0.00 H new ATOM 0 H2' DA B 112 2.187 -6.710 -13.087 1.00 0.00 H new ATOM 0 H2'' DA B 112 1.087 -7.551 -12.013 1.00 0.00 H new ATOM 0 H1' DA B 112 0.394 -5.590 -11.002 1.00 0.00 H new ATOM 0 H8 DA B 112 2.702 -4.608 -13.966 1.00 0.00 H new ATOM 0 H61 DA B 112 -2.134 -1.246 -15.808 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.495 -1.773 -16.204 1.00 0.00 H new ATOM 0 H2 DA B 112 -3.173 -3.142 -11.876 1.00 0.00 H new ATOM 384 P DC B 113 2.118 -9.595 -10.614 1.00 0.00 P ATOM 385 OP1 DC B 113 2.541 -10.534 -9.551 1.00 0.00 O ATOM 386 OP2 DC B 113 2.536 -9.829 -12.014 1.00 0.00 O ATOM 387 O5' DC B 113 0.500 -9.488 -10.581 1.00 0.00 O ATOM 388 C5' DC B 113 -0.168 -9.140 -9.361 1.00 0.00 C ATOM 389 C4' DC B 113 -1.703 -9.081 -9.497 1.00 0.00 C ATOM 390 O4' DC B 113 -2.104 -7.963 -10.329 1.00 0.00 O ATOM 391 C3' DC B 113 -2.303 -10.350 -10.113 1.00 0.00 C ATOM 392 O3' DC B 113 -3.325 -10.858 -9.245 1.00 0.00 O ATOM 393 C2' DC B 113 -2.910 -9.931 -11.429 1.00 0.00 C ATOM 394 C1' DC B 113 -2.942 -8.415 -11.424 1.00 0.00 C ATOM 395 N1 DC B 113 -2.456 -7.842 -12.705 1.00 0.00 N ATOM 396 C2 DC B 113 -3.298 -6.990 -13.412 1.00 0.00 C ATOM 397 O2 DC B 113 -4.455 -6.817 -13.036 1.00 0.00 O ATOM 398 N3 DC B 113 -2.809 -6.368 -14.514 1.00 0.00 N ATOM 399 C4 DC B 113 -1.547 -6.565 -14.912 1.00 0.00 C ATOM 400 N4 DC B 113 -1.106 -5.923 -15.989 1.00 0.00 N ATOM 401 C5 DC B 113 -0.676 -7.443 -14.191 1.00 0.00 C ATOM 402 C6 DC B 113 -1.181 -8.063 -13.105 1.00 0.00 C ATOM 0 H5' DC B 113 0.196 -8.171 -9.020 1.00 0.00 H new ATOM 0 H5'' DC B 113 0.093 -9.867 -8.592 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.078 -8.972 -8.480 1.00 0.00 H new ATOM 0 H3' DC B 113 -1.553 -11.129 -10.253 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.319 -10.304 -12.265 1.00 0.00 H new ATOM 0 H2'' DC B 113 -3.914 -10.340 -11.541 1.00 0.00 H new ATOM 0 H1' DC B 113 -3.971 -8.079 -11.300 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.147 -6.060 -16.308 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.727 -5.293 -16.497 1.00 0.00 H new ATOM 0 H5 DC B 113 0.345 -7.603 -14.504 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.559 -8.746 -12.546 1.00 0.00 H new ATOM 414 P DA B 114 -4.154 -12.191 -9.606 1.00 0.00 P ATOM 415 OP1 DA B 114 -4.658 -12.772 -8.341 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.335 -13.015 -10.520 1.00 0.00 O ATOM 417 O5' DA B 114 -5.424 -11.619 -10.436 1.00 0.00 O ATOM 418 C5' DA B 114 -6.326 -10.691 -9.815 1.00 0.00 C ATOM 419 C4' DA B 114 -7.476 -10.246 -10.738 1.00 0.00 C ATOM 420 O4' DA B 114 -6.989 -9.381 -11.803 1.00 0.00 O ATOM 421 C3' DA B 114 -8.192 -11.431 -11.402 1.00 0.00 C ATOM 422 O3' DA B 114 -9.605 -11.316 -11.211 1.00 0.00 O ATOM 423 C2' DA B 114 -7.871 -11.326 -12.870 1.00 0.00 C ATOM 424 C1' DA B 114 -7.381 -9.908 -13.096 1.00 0.00 C ATOM 425 N9 DA B 114 -6.267 -9.865 -14.055 1.00 0.00 N ATOM 426 C8 DA B 114 -5.091 -10.522 -13.994 1.00 0.00 C ATOM 427 N7 DA B 114 -4.234 -10.228 -14.923 1.00 0.00 N ATOM 428 C5 DA B 114 -4.914 -9.283 -15.685 1.00 0.00 C ATOM 429 C6 DA B 114 -4.566 -8.563 -16.832 1.00 0.00 C ATOM 430 N6 DA B 114 -3.376 -8.662 -17.418 1.00 0.00 N ATOM 431 N1 DA B 114 -5.479 -7.719 -17.335 1.00 0.00 N ATOM 432 C2 DA B 114 -6.665 -7.584 -16.746 1.00 0.00 C ATOM 433 N3 DA B 114 -7.096 -8.211 -15.650 1.00 0.00 N ATOM 434 C4 DA B 114 -6.159 -9.056 -15.168 1.00 0.00 C ATOM 0 H5' DA B 114 -5.767 -9.812 -9.493 1.00 0.00 H new ATOM 0 H5'' DA B 114 -6.745 -11.148 -8.919 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.177 -9.714 -10.094 1.00 0.00 H new ATOM 0 H3' DA B 114 -7.873 -12.384 -10.980 1.00 0.00 H new ATOM 0 H2' DA B 114 -7.109 -12.051 -13.155 1.00 0.00 H new ATOM 0 H2'' DA B 114 -8.752 -11.535 -13.477 1.00 0.00 H new ATOM 0 H1' DA B 114 -8.173 -9.299 -13.532 1.00 0.00 H new ATOM 0 H8 DA B 114 -4.876 -11.246 -13.222 1.00 0.00 H new ATOM 0 H61 DA B 114 -3.172 -8.114 -18.254 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.667 -9.286 -17.031 1.00 0.00 H new ATOM 0 H2 DA B 114 -7.354 -6.891 -17.206 1.00 0.00 H new ATOM 446 P DT B 115 -10.627 -12.416 -11.797 1.00 0.00 P ATOM 447 OP1 DT B 115 -11.835 -12.437 -10.943 1.00 0.00 O ATOM 448 OP2 DT B 115 -9.873 -13.665 -12.047 1.00 0.00 O ATOM 449 O5' DT B 115 -11.021 -11.766 -13.222 1.00 0.00 O ATOM 450 C5' DT B 115 -11.645 -10.480 -13.244 1.00 0.00 C ATOM 451 C4' DT B 115 -11.831 -9.913 -14.660 1.00 0.00 C ATOM 452 O4' DT B 115 -10.549 -9.584 -15.248 1.00 0.00 O ATOM 453 C3' DT B 115 -12.546 -10.893 -15.600 1.00 0.00 C ATOM 454 O3' DT B 115 -13.822 -10.368 -15.982 1.00 0.00 O ATOM 455 C2' DT B 115 -11.653 -11.015 -16.820 1.00 0.00 C ATOM 456 C1' DT B 115 -10.493 -10.041 -16.617 1.00 0.00 C ATOM 457 N1 DT B 115 -9.183 -10.687 -16.915 1.00 0.00 N ATOM 458 C2 DT B 115 -8.387 -10.145 -17.916 1.00 0.00 C ATOM 459 O2 DT B 115 -8.728 -9.156 -18.559 1.00 0.00 O ATOM 460 N3 DT B 115 -7.181 -10.781 -18.143 1.00 0.00 N ATOM 461 C4 DT B 115 -6.704 -11.891 -17.472 1.00 0.00 C ATOM 462 O4 DT B 115 -5.611 -12.376 -17.756 1.00 0.00 O ATOM 463 C5 DT B 115 -7.597 -12.386 -16.450 1.00 0.00 C ATOM 464 C7 DT B 115 -7.195 -13.620 -15.641 1.00 0.00 C ATOM 465 C6 DT B 115 -8.781 -11.780 -16.211 1.00 0.00 C ATOM 0 H5' DT B 115 -11.045 -9.784 -12.658 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.618 -10.549 -12.758 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.448 -9.021 -14.549 1.00 0.00 H new ATOM 0 H3' DT B 115 -12.716 -11.858 -15.122 1.00 0.00 H new ATOM 0 H2' DT B 115 -11.286 -12.036 -16.930 1.00 0.00 H new ATOM 0 H2'' DT B 115 -12.205 -10.775 -17.729 1.00 0.00 H new ATOM 0 H1' DT B 115 -10.583 -9.199 -17.303 1.00 0.00 H new ATOM 0 H3 DT B 115 -6.586 -10.394 -18.876 1.00 0.00 H new ATOM 0 H71 DT B 115 -7.631 -13.559 -14.644 1.00 0.00 H new ATOM 0 H72 DT B 115 -7.558 -14.518 -16.142 1.00 0.00 H new ATOM 0 H73 DT B 115 -6.109 -13.664 -15.560 1.00 0.00 H new ATOM 0 H6 DT B 115 -9.426 -12.174 -15.440 1.00 0.00 H new ATOM 478 P DT B 116 -14.897 -11.276 -16.768 1.00 0.00 P ATOM 479 OP1 DT B 116 -16.245 -10.725 -16.507 1.00 0.00 O ATOM 480 OP2 DT B 116 -14.610 -12.697 -16.466 1.00 0.00 O ATOM 481 O5' DT B 116 -14.536 -11.009 -18.313 1.00 0.00 O ATOM 482 C5' DT B 116 -14.600 -9.689 -18.856 1.00 0.00 C ATOM 483 C4' DT B 116 -13.991 -9.631 -20.258 1.00 0.00 C ATOM 484 O4' DT B 116 -12.562 -9.845 -20.195 1.00 0.00 O ATOM 485 C3' DT B 116 -14.589 -10.697 -21.186 1.00 0.00 C ATOM 486 O3' DT B 116 -15.392 -10.088 -22.200 1.00 0.00 O ATOM 487 C2' DT B 116 -13.407 -11.415 -21.804 1.00 0.00 C ATOM 488 C1' DT B 116 -12.147 -10.797 -21.198 1.00 0.00 C ATOM 489 N1 DT B 116 -11.272 -11.849 -20.607 1.00 0.00 N ATOM 490 C2 DT B 116 -9.984 -11.990 -21.108 1.00 0.00 C ATOM 491 O2 DT B 116 -9.553 -11.274 -22.009 1.00 0.00 O ATOM 492 N3 DT B 116 -9.212 -12.980 -20.534 1.00 0.00 N ATOM 493 C4 DT B 116 -9.598 -13.830 -19.518 1.00 0.00 C ATOM 494 O4 DT B 116 -8.823 -14.682 -19.086 1.00 0.00 O ATOM 495 C5 DT B 116 -10.947 -13.617 -19.053 1.00 0.00 C ATOM 496 C7 DT B 116 -11.488 -14.510 -17.932 1.00 0.00 C ATOM 497 C6 DT B 116 -11.728 -12.651 -19.599 1.00 0.00 C ATOM 0 H5' DT B 116 -14.071 -8.998 -18.199 1.00 0.00 H new ATOM 0 H5'' DT B 116 -15.638 -9.360 -18.895 1.00 0.00 H new ATOM 0 H4' DT B 116 -14.216 -8.642 -20.657 1.00 0.00 H new ATOM 0 H3' DT B 116 -15.236 -11.385 -20.641 1.00 0.00 H new ATOM 0 H2' DT B 116 -13.452 -12.484 -21.595 1.00 0.00 H new ATOM 0 H2'' DT B 116 -13.410 -11.302 -22.888 1.00 0.00 H new ATOM 0 HO3' DT B 116 -15.764 -10.782 -22.784 1.00 0.00 H new ATOM 0 H1' DT B 116 -11.564 -10.296 -21.970 1.00 0.00 H new ATOM 0 H3 DT B 116 -8.265 -13.094 -20.896 1.00 0.00 H new ATOM 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0.00 C ATOM 721 C7 DT C 123 -6.370 3.306 -8.137 1.00 0.00 C ATOM 722 C6 DT C 123 -4.957 1.858 -6.656 1.00 0.00 C ATOM 0 H5' DT C 123 -6.730 -2.174 -5.228 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.124 -1.866 -3.549 1.00 0.00 H new ATOM 0 H4' DT C 123 -4.795 -2.179 -3.715 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.816 0.241 -2.617 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.896 1.797 -4.029 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.396 1.396 -3.216 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.617 0.136 -4.985 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.828 2.638 -8.541 1.00 0.00 H new ATOM 0 H71 DT C 123 -6.202 4.280 -8.596 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.861 2.647 -8.853 1.00 0.00 H new ATOM 0 H73 DT C 123 -7.004 3.424 -7.258 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.857 1.626 -6.106 1.00 0.00 H new ATOM 735 P DA C 124 -3.508 0.189 -0.801 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.654 -0.612 0.435 1.00 0.00 O ATOM 737 OP2 DA C 124 -4.093 1.547 -0.876 1.00 0.00 O ATOM 738 O5' DA C 124 -1.931 0.292 -1.157 1.00 0.00 O ATOM 739 C5' DA C 124 -1.200 -0.937 -1.264 1.00 0.00 C ATOM 740 C4' DA C 124 0.296 -0.781 -1.605 1.00 0.00 C ATOM 741 O4' DA C 124 0.450 -0.067 -2.866 1.00 0.00 O ATOM 742 C3' DA C 124 1.024 0.037 -0.540 1.00 0.00 C ATOM 743 O3' DA C 124 2.322 -0.493 -0.251 1.00 0.00 O ATOM 744 C2' DA C 124 1.150 1.421 -1.123 1.00 0.00 C ATOM 745 C1' DA C 124 0.978 1.266 -2.628 1.00 0.00 C ATOM 746 N9 DA C 124 0.088 2.305 -3.171 1.00 0.00 N ATOM 747 C8 DA C 124 -1.169 2.604 -2.783 1.00 0.00 C ATOM 748 N7 DA C 124 -1.760 3.537 -3.464 1.00 0.00 N ATOM 749 C5 DA C 124 -0.796 3.898 -4.400 1.00 0.00 C ATOM 750 C6 DA C 124 -0.790 4.843 -5.429 1.00 0.00 C ATOM 751 N6 DA C 124 -1.840 5.615 -5.708 1.00 0.00 N ATOM 752 N1 DA C 124 0.329 4.950 -6.167 1.00 0.00 N ATOM 753 C2 DA C 124 1.380 4.170 -5.908 1.00 0.00 C ATOM 754 N3 DA C 124 1.477 3.239 -4.958 1.00 0.00 N ATOM 755 C4 DA C 124 0.339 3.156 -4.233 1.00 0.00 C ATOM 0 H5' DA C 124 -1.669 -1.555 -2.030 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.287 -1.477 -0.321 1.00 0.00 H new ATOM 0 H4' DA C 124 0.717 -1.785 -1.663 1.00 0.00 H new ATOM 0 H3' DA C 124 0.475 0.024 0.402 1.00 0.00 H new ATOM 0 H2' DA C 124 0.392 2.087 -0.711 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.120 1.857 -0.885 1.00 0.00 H new ATOM 0 H1' DA C 124 1.934 1.388 -3.137 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.652 2.100 -1.959 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.788 6.291 -6.470 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.696 5.530 -5.160 1.00 0.00 H new ATOM 0 H2 DA C 124 2.247 4.308 -6.537 1.00 0.00 H new ATOM 767 P DT C 125 3.253 0.235 0.854 1.00 0.00 P ATOM 768 OP1 DT C 125 4.216 -0.746 1.387 1.00 0.00 O ATOM 769 OP2 DT C 125 2.372 0.984 1.779 1.00 0.00 O ATOM 770 O5' DT C 125 4.071 1.300 -0.033 1.00 0.00 O ATOM 771 C5' DT C 125 5.002 0.818 -1.004 1.00 0.00 C ATOM 772 C4' DT C 125 5.690 1.939 -1.787 1.00 0.00 C ATOM 773 O4' DT C 125 4.746 2.589 -2.682 1.00 0.00 O ATOM 774 C3' DT C 125 6.283 3.034 -0.885 1.00 0.00 C ATOM 775 O3' DT C 125 7.678 3.191 -1.178 1.00 0.00 O ATOM 776 C2' DT C 125 5.532 4.292 -1.227 1.00 0.00 C ATOM 777 C1' DT C 125 4.904 4.021 -2.584 1.00 0.00 C ATOM 778 N1 DT C 125 3.615 4.753 -2.809 1.00 0.00 N ATOM 779 C2 DT C 125 3.500 5.496 -3.982 1.00 0.00 C ATOM 780 O2 DT C 125 4.421 5.579 -4.791 1.00 0.00 O ATOM 781 N3 DT C 125 2.296 6.139 -4.188 1.00 0.00 N ATOM 782 C4 DT C 125 1.206 6.108 -3.341 1.00 0.00 C ATOM 783 O4 DT C 125 0.151 6.647 -3.656 1.00 0.00 O ATOM 784 C5 DT C 125 1.409 5.331 -2.144 1.00 0.00 C ATOM 785 C7 DT C 125 0.306 5.292 -1.094 1.00 0.00 C ATOM 786 C6 DT C 125 2.574 4.684 -1.916 1.00 0.00 C ATOM 0 H5' DT C 125 4.482 0.162 -1.702 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.760 0.215 -0.504 1.00 0.00 H new ATOM 0 H4' DT C 125 6.499 1.455 -2.334 1.00 0.00 H new ATOM 0 H3' DT C 125 6.192 2.791 0.174 1.00 0.00 H new ATOM 0 H2' DT C 125 4.772 4.513 -0.478 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.201 5.152 -1.267 1.00 0.00 H new ATOM 0 H1' DT C 125 5.553 4.401 -3.373 1.00 0.00 H new ATOM 0 H3 DT C 125 2.203 6.687 -5.043 1.00 0.00 H new ATOM 0 H71 DT C 125 0.337 4.337 -0.569 1.00 0.00 H new ATOM 0 H72 DT C 125 0.454 6.103 -0.381 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.663 5.408 -1.580 1.00 0.00 H new ATOM 0 H6 DT C 125 2.688 4.101 -1.014 1.00 0.00 H new ATOM 799 P DC C 126 8.590 4.270 -0.402 1.00 0.00 P ATOM 800 OP1 DC C 126 9.949 3.704 -0.256 1.00 0.00 O ATOM 801 OP2 DC C 126 7.848 4.731 0.793 1.00 0.00 O ATOM 802 O5' DC C 126 8.652 5.489 -1.469 1.00 0.00 O ATOM 803 C5' DC C 126 9.247 5.253 -2.755 1.00 0.00 C ATOM 804 C4' DC C 126 9.249 6.483 -3.688 1.00 0.00 C ATOM 805 O4' DC C 126 7.907 6.778 -4.161 1.00 0.00 O ATOM 806 C3' DC C 126 9.802 7.742 -3.008 1.00 0.00 C ATOM 807 O3' DC C 126 10.984 8.201 -3.660 1.00 0.00 O ATOM 808 C2' DC C 126 8.724 8.798 -3.152 1.00 0.00 C ATOM 809 C1' DC C 126 7.567 8.166 -3.924 1.00 0.00 C ATOM 810 N1 DC C 126 6.310 8.260 -3.139 1.00 0.00 N ATOM 811 C2 DC C 126 5.206 8.928 -3.683 1.00 0.00 C ATOM 812 O2 DC C 126 5.287 9.490 -4.777 1.00 0.00 O ATOM 813 N3 DC C 126 4.057 8.958 -2.957 1.00 0.00 N ATOM 814 C4 DC C 126 3.984 8.369 -1.756 1.00 0.00 C ATOM 815 N4 DC C 126 2.836 8.394 -1.084 1.00 0.00 N ATOM 816 C5 DC C 126 5.110 7.696 -1.197 1.00 0.00 C ATOM 817 C6 DC C 126 6.241 7.667 -1.918 1.00 0.00 C ATOM 0 H5' DC C 126 8.713 4.440 -3.246 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.274 4.919 -2.611 1.00 0.00 H new ATOM 0 H4' DC C 126 9.900 6.221 -4.522 1.00 0.00 H new ATOM 0 H3' DC C 126 10.055 7.535 -1.968 1.00 0.00 H new ATOM 0 H2' DC C 126 8.390 9.142 -2.173 1.00 0.00 H new ATOM 0 H2'' DC C 126 9.109 9.670 -3.682 1.00 0.00 H new ATOM 0 H1' DC C 126 7.409 8.688 -4.868 1.00 0.00 H new ATOM 0 H41 DC C 126 2.771 7.948 -0.169 1.00 0.00 H new ATOM 0 H42 DC C 126 2.021 8.859 -1.484 1.00 0.00 H new ATOM 0 H5 DC C 126 5.054 7.226 -0.226 1.00 0.00 H new ATOM 0 H6 DC C 126 7.111 7.164 -1.522 1.00 0.00 H new ATOM 829 P DT C 127 11.874 9.359 -2.982 1.00 0.00 P ATOM 830 OP1 DT C 127 13.227 9.313 -3.580 1.00 0.00 O ATOM 831 OP2 DT C 127 11.712 9.266 -1.514 1.00 0.00 O ATOM 832 O5' DT C 127 11.149 10.707 -3.485 1.00 0.00 O ATOM 833 C5' DT C 127 11.099 11.019 -4.877 1.00 0.00 C ATOM 834 C4' DT C 127 10.319 12.308 -5.153 1.00 0.00 C ATOM 835 O4' DT C 127 8.911 12.089 -4.895 1.00 0.00 O ATOM 836 C3' DT C 127 10.782 13.480 -4.274 1.00 0.00 C ATOM 837 O3' DT C 127 11.287 14.540 -5.093 1.00 0.00 O ATOM 838 C2' DT C 127 9.551 13.942 -3.526 1.00 0.00 C ATOM 839 C1' DT C 127 8.370 13.162 -4.098 1.00 0.00 C ATOM 840 N1 DT C 127 7.480 12.637 -3.014 1.00 0.00 N ATOM 841 C2 DT C 127 6.147 13.033 -3.026 1.00 0.00 C ATOM 842 O2 DT C 127 5.699 13.777 -3.896 1.00 0.00 O ATOM 843 N3 DT C 127 5.351 12.539 -2.010 1.00 0.00 N ATOM 844 C4 DT C 127 5.754 11.694 -0.995 1.00 0.00 C ATOM 845 O4 DT C 127 4.955 11.315 -0.143 1.00 0.00 O ATOM 846 C5 DT C 127 7.151 11.328 -1.050 1.00 0.00 C ATOM 847 C7 DT C 127 7.710 10.397 0.032 1.00 0.00 C ATOM 848 C6 DT C 127 7.959 11.797 -2.035 1.00 0.00 C ATOM 0 H5' DT C 127 10.635 10.193 -5.416 1.00 0.00 H new ATOM 0 H5'' DT C 127 12.114 11.121 -5.262 1.00 0.00 H new ATOM 0 H4' DT C 127 10.500 12.566 -6.196 1.00 0.00 H new ATOM 0 H3' DT C 127 11.580 13.184 -3.594 1.00 0.00 H new ATOM 0 H2' DT C 127 9.656 13.756 -2.457 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.403 15.015 -3.650 1.00 0.00 H new ATOM 0 H1' DT C 127 7.749 13.816 -4.710 1.00 0.00 H new ATOM 0 H3 DT C 127 4.372 12.826 -2.010 1.00 0.00 H new ATOM 0 H71 DT C 127 7.158 10.545 0.960 1.00 0.00 H new ATOM 0 H72 DT C 127 7.606 9.361 -0.290 1.00 0.00 H new ATOM 0 H73 DT C 127 8.764 10.622 0.197 1.00 0.00 H new ATOM 0 H6 DT C 127 8.999 11.505 -2.051 1.00 0.00 H new ATOM 861 P DG C 128 11.846 15.907 -4.444 1.00 0.00 P ATOM 862 OP1 DG C 128 12.794 16.519 -5.401 1.00 0.00 O ATOM 863 OP2 DG C 128 12.279 15.618 -3.060 1.00 0.00 O ATOM 864 O5' DG C 128 10.531 16.835 -4.377 1.00 0.00 O ATOM 865 C5' DG C 128 9.843 17.185 -5.582 1.00 0.00 C ATOM 866 C4' DG C 128 8.621 18.069 -5.312 1.00 0.00 C ATOM 867 O4' DG C 128 7.646 17.339 -4.537 1.00 0.00 O ATOM 868 C3' DG C 128 8.982 19.349 -4.546 1.00 0.00 C ATOM 869 O3' DG C 128 8.612 20.502 -5.309 1.00 0.00 O ATOM 870 C2' DG C 128 8.193 19.294 -3.258 1.00 0.00 C ATOM 871 C1' DG C 128 7.322 18.045 -3.321 1.00 0.00 C ATOM 872 N9 DG C 128 7.564 17.192 -2.150 1.00 0.00 N ATOM 873 C8 DG C 128 8.730 16.646 -1.734 1.00 0.00 C ATOM 874 N7 DG C 128 8.656 15.929 -0.654 1.00 0.00 N ATOM 875 C5 DG C 128 7.307 16.012 -0.316 1.00 0.00 C ATOM 876 C6 DG C 128 6.605 15.437 0.772 1.00 0.00 C ATOM 877 O6 DG C 128 7.042 14.725 1.673 1.00 0.00 O ATOM 878 N1 DG C 128 5.258 15.775 0.740 1.00 0.00 N ATOM 879 C2 DG C 128 4.660 16.564 -0.216 1.00 0.00 C ATOM 880 N2 DG C 128 3.352 16.780 -0.068 1.00 0.00 N ATOM 881 N3 DG C 128 5.316 17.106 -1.243 1.00 0.00 N ATOM 882 C4 DG C 128 6.631 16.789 -1.229 1.00 0.00 C ATOM 0 H5' DG C 128 9.527 16.277 -6.095 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.527 17.707 -6.251 1.00 0.00 H new ATOM 0 H4' DG C 128 8.217 18.350 -6.284 1.00 0.00 H new ATOM 0 H3' DG C 128 10.053 19.417 -4.356 1.00 0.00 H new ATOM 0 H2' DG C 128 8.861 19.255 -2.398 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.579 20.187 -3.144 1.00 0.00 H new ATOM 0 H1' DG C 128 6.267 18.320 -3.316 1.00 0.00 H new ATOM 0 H8 DG C 128 9.659 16.796 -2.264 1.00 0.00 H new ATOM 0 H1 DG C 128 4.665 15.409 1.485 1.00 0.00 H new ATOM 0 H21 DG C 128 2.851 17.357 -0.744 1.00 0.00 H new ATOM 0 H22 DG C 128 2.853 16.368 0.721 1.00 0.00 H new ATOM 894 P DC C 129 9.056 21.980 -4.845 1.00 0.00 P ATOM 895 OP1 DC C 129 9.074 22.852 -6.041 1.00 0.00 O ATOM 896 OP2 DC C 129 10.269 21.854 -4.007 1.00 0.00 O ATOM 897 O5' DC C 129 7.834 22.444 -3.900 1.00 0.00 O ATOM 898 C5' DC C 129 6.509 22.561 -4.423 1.00 0.00 C ATOM 899 C4' DC C 129 5.513 23.010 -3.348 1.00 0.00 C ATOM 900 O4' DC C 129 5.373 21.990 -2.329 1.00 0.00 O ATOM 901 C3' DC C 129 5.954 24.304 -2.659 1.00 0.00 C ATOM 902 O3' DC C 129 4.935 25.297 -2.776 1.00 0.00 O ATOM 903 C2' DC C 129 6.138 23.956 -1.203 1.00 0.00 C ATOM 904 C1' DC C 129 5.642 22.533 -1.015 1.00 0.00 C ATOM 905 N1 DC C 129 6.643 21.691 -0.295 1.00 0.00 N ATOM 906 C2 DC C 129 6.263 21.103 0.914 1.00 0.00 C ATOM 907 O2 DC C 129 5.145 21.321 1.381 1.00 0.00 O ATOM 908 N3 DC C 129 7.152 20.296 1.552 1.00 0.00 N ATOM 909 C4 DC C 129 8.367 20.070 1.040 1.00 0.00 C ATOM 910 N4 DC C 129 9.210 19.264 1.688 1.00 0.00 N ATOM 911 C5 DC C 129 8.769 20.673 -0.195 1.00 0.00 C ATOM 912 C6 DC C 129 7.884 21.471 -0.826 1.00 0.00 C ATOM 0 H5' DC C 129 6.194 21.602 -4.833 1.00 0.00 H new ATOM 0 H5'' DC C 129 6.504 23.277 -5.245 1.00 0.00 H new ATOM 0 H4' DC C 129 4.565 23.181 -3.858 1.00 0.00 H new ATOM 0 H3' DC C 129 6.866 24.698 -3.108 1.00 0.00 H new ATOM 0 H2' DC C 129 7.187 24.039 -0.917 1.00 0.00 H new ATOM 0 H2'' DC C 129 5.580 24.645 -0.569 1.00 0.00 H new ATOM 0 H1' DC C 129 4.740 22.535 -0.404 1.00 0.00 H new ATOM 0 H41 DC C 129 10.139 19.085 1.307 1.00 0.00 H new ATOM 0 H42 DC C 129 8.926 18.827 2.565 1.00 0.00 H new ATOM 0 H5 DC C 129 9.751 20.494 -0.608 1.00 0.00 H new ATOM 0 H6 DC C 129 8.158 21.941 -1.759 1.00 0.00 H new ATOM 924 P DA C 130 5.172 26.782 -2.207 1.00 0.00 P ATOM 925 OP1 DA C 130 4.255 27.697 -2.925 1.00 0.00 O ATOM 926 OP2 DA C 130 6.626 27.054 -2.202 1.00 0.00 O ATOM 927 O5' DA C 130 4.673 26.673 -0.676 1.00 0.00 O ATOM 928 C5' DA C 130 3.314 26.356 -0.358 1.00 0.00 C ATOM 929 C4' DA C 130 3.089 26.312 1.160 1.00 0.00 C ATOM 930 O4' DA C 130 3.742 25.160 1.748 1.00 0.00 O ATOM 931 C3' DA C 130 3.643 27.574 1.836 1.00 0.00 C ATOM 932 O3' DA C 130 2.643 28.206 2.640 1.00 0.00 O ATOM 933 C2' DA C 130 4.771 27.087 2.718 1.00 0.00 C ATOM 934 C1' DA C 130 4.645 25.576 2.796 1.00 0.00 C ATOM 935 N9 DA C 130 5.950 24.908 2.668 1.00 0.00 N ATOM 936 C8 DA C 130 6.863 25.013 1.675 1.00 0.00 C ATOM 937 N7 DA C 130 7.916 24.262 1.803 1.00 0.00 N ATOM 938 C5 DA C 130 7.676 23.596 3.001 1.00 0.00 C ATOM 939 C6 DA C 130 8.408 22.646 3.720 1.00 0.00 C ATOM 940 N6 DA C 130 9.589 22.185 3.317 1.00 0.00 N ATOM 941 N1 DA C 130 7.878 22.197 4.872 1.00 0.00 N ATOM 942 C2 DA C 130 6.697 22.656 5.291 1.00 0.00 C ATOM 943 N3 DA C 130 5.925 23.552 4.686 1.00 0.00 N ATOM 944 C4 DA C 130 6.483 23.983 3.536 1.00 0.00 C ATOM 0 H5' DA C 130 3.052 25.392 -0.794 1.00 0.00 H new ATOM 0 H5'' DA C 130 2.652 27.098 -0.804 1.00 0.00 H new ATOM 0 H4' DA C 130 2.013 26.249 1.320 1.00 0.00 H new ATOM 0 H3' DA C 130 3.971 28.308 1.100 1.00 0.00 H new ATOM 0 H2' DA C 130 5.737 27.374 2.303 1.00 0.00 H new ATOM 0 H2'' DA C 130 4.705 27.532 3.711 1.00 0.00 H new ATOM 0 H1' DA C 130 4.255 25.290 3.773 1.00 0.00 H new ATOM 0 H8 DA C 130 6.726 25.676 0.833 1.00 0.00 H new ATOM 0 H61 DA C 130 10.084 21.492 3.878 1.00 0.00 H new ATOM 0 H62 DA C 130 9.999 22.525 2.447 1.00 0.00 H new ATOM 0 H2 DA C 130 6.329 22.255 6.224 1.00 0.00 H new ATOM 956 P DA C 131 2.982 29.561 3.446 1.00 0.00 P ATOM 957 OP1 DA C 131 1.716 30.293 3.670 1.00 0.00 O ATOM 958 OP2 DA C 131 4.103 30.233 2.752 1.00 0.00 O ATOM 959 O5' DA C 131 3.521 29.042 4.877 1.00 0.00 O ATOM 960 C5' DA C 131 2.642 28.388 5.797 1.00 0.00 C ATOM 961 C4' DA C 131 3.360 27.979 7.093 1.00 0.00 C ATOM 962 O4' DA C 131 4.285 26.887 6.858 1.00 0.00 O ATOM 963 C3' DA C 131 4.152 29.151 7.689 1.00 0.00 C ATOM 964 O3' DA C 131 3.678 29.475 8.999 1.00 0.00 O ATOM 965 C2' DA C 131 5.583 28.669 7.781 1.00 0.00 C ATOM 966 C1' DA C 131 5.577 27.188 7.436 1.00 0.00 C ATOM 967 N9 DA C 131 6.667 26.850 6.506 1.00 0.00 N ATOM 968 C8 DA C 131 6.942 27.398 5.303 1.00 0.00 C ATOM 969 N7 DA C 131 7.966 26.894 4.680 1.00 0.00 N ATOM 970 C5 DA C 131 8.416 25.912 5.561 1.00 0.00 C ATOM 971 C6 DA C 131 9.479 24.999 5.508 1.00 0.00 C ATOM 972 N6 DA C 131 10.328 24.929 4.482 1.00 0.00 N ATOM 973 N1 DA C 131 9.638 24.169 6.556 1.00 0.00 N ATOM 974 C2 DA C 131 8.802 24.236 7.595 1.00 0.00 C ATOM 975 N3 DA C 131 7.767 25.060 7.744 1.00 0.00 N ATOM 976 C4 DA C 131 7.631 25.878 6.680 1.00 0.00 C ATOM 0 H5' DA C 131 2.217 27.503 5.324 1.00 0.00 H new ATOM 0 H5'' DA C 131 1.811 29.051 6.037 1.00 0.00 H new ATOM 0 H4' DA C 131 2.583 27.666 7.791 1.00 0.00 H new ATOM 0 H3' DA C 131 4.049 30.045 7.074 1.00 0.00 H new ATOM 0 H2' DA C 131 6.221 29.223 7.092 1.00 0.00 H new ATOM 0 H2'' DA C 131 5.980 28.830 8.783 1.00 0.00 H new ATOM 0 H1' DA C 131 5.742 26.590 8.332 1.00 0.00 H new ATOM 0 H8 DA C 131 6.351 28.201 4.886 1.00 0.00 H new ATOM 0 H61 DA C 131 11.086 24.246 4.493 1.00 0.00 H new ATOM 0 H62 DA C 131 10.220 25.558 3.687 1.00 0.00 H new ATOM 0 H2 DA C 131 8.986 23.545 8.404 1.00 0.00 H new ATOM 988 P DC C 132 4.348 30.683 9.828 1.00 0.00 P ATOM 989 OP1 DC C 132 3.358 31.172 10.816 1.00 0.00 O ATOM 990 OP2 DC C 132 4.955 31.629 8.863 1.00 0.00 O ATOM 991 O5' DC C 132 5.531 29.940 10.631 1.00 0.00 O ATOM 992 C5' DC C 132 5.228 28.846 11.498 1.00 0.00 C ATOM 993 C4' DC C 132 6.487 28.202 12.093 1.00 0.00 C ATOM 994 O4' DC C 132 7.222 27.463 11.091 1.00 0.00 O ATOM 995 C3' DC C 132 7.435 29.238 12.709 1.00 0.00 C ATOM 996 O3' DC C 132 7.473 29.102 14.133 1.00 0.00 O ATOM 997 C2' DC C 132 8.798 28.946 12.110 1.00 0.00 C ATOM 998 C1' DC C 132 8.636 27.721 11.224 1.00 0.00 C ATOM 999 N1 DC C 132 9.264 27.925 9.890 1.00 0.00 N ATOM 1000 C2 DC C 132 10.321 27.097 9.518 1.00 0.00 C ATOM 1001 O2 DC C 132 10.735 26.241 10.296 1.00 0.00 O ATOM 1002 N3 DC C 132 10.872 27.267 8.285 1.00 0.00 N ATOM 1003 C4 DC C 132 10.404 28.200 7.446 1.00 0.00 C ATOM 1004 N4 DC C 132 10.944 28.318 6.233 1.00 0.00 N ATOM 1005 C5 DC C 132 9.321 29.052 7.826 1.00 0.00 C ATOM 1006 C6 DC C 132 8.789 28.878 9.050 1.00 0.00 C ATOM 0 H5' DC C 132 4.665 28.094 10.945 1.00 0.00 H new ATOM 0 H5'' DC C 132 4.585 29.194 12.306 1.00 0.00 H new ATOM 0 H4' DC C 132 6.135 27.529 12.875 1.00 0.00 H new ATOM 0 H3' DC C 132 7.110 30.257 12.499 1.00 0.00 H new ATOM 0 H2' DC C 132 9.156 29.797 11.531 1.00 0.00 H new ATOM 0 H2'' DC C 132 9.533 28.762 12.894 1.00 0.00 H new ATOM 0 HO3' DC C 132 8.084 29.770 14.509 1.00 0.00 H new ATOM 0 H1' DC C 132 9.140 26.867 11.677 1.00 0.00 H new ATOM 0 H41 DC C 132 10.595 29.025 5.586 1.00 0.00 H new ATOM 0 H42 DC C 132 11.706 27.701 5.952 1.00 0.00 H new ATOM 0 H5 DC C 132 8.943 29.809 7.155 1.00 0.00 H new ATOM 0 H6 DC C 132 7.971 29.507 9.368 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -7.736 14.588 16.659 1.00 0.00 N ATOM 1021 CA LYS A 1 -7.451 14.993 15.253 1.00 0.00 C ATOM 1022 C LYS A 1 -7.753 13.812 14.328 1.00 0.00 C ATOM 1023 O LYS A 1 -8.886 13.410 14.155 1.00 0.00 O ATOM 1024 CB LYS A 1 -5.970 15.369 15.131 1.00 0.00 C ATOM 1025 CG LYS A 1 -5.722 16.718 15.817 1.00 0.00 C ATOM 1026 CD LYS A 1 -4.220 17.062 15.794 1.00 0.00 C ATOM 1027 CE LYS A 1 -3.834 17.719 14.458 1.00 0.00 C ATOM 1028 NZ LYS A 1 -4.102 19.184 14.531 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.799 15.436 17.258 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.637 14.070 16.695 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.971 13.975 17.006 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.069 15.847 14.976 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.350 14.598 15.588 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.684 15.426 14.081 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.289 17.500 15.312 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.078 16.681 16.847 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.983 17.735 16.618 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.632 16.156 15.943 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.780 17.541 14.244 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.405 17.274 13.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.842 19.630 13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.113 19.343 14.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.539 19.602 15.299 1.00 0.00 H new ATOM 1044 N ARG A 2 -6.727 13.232 13.771 1.00 0.00 N ATOM 1045 CA ARG A 2 -6.929 12.047 12.897 1.00 0.00 C ATOM 1046 C ARG A 2 -7.362 10.879 13.782 1.00 0.00 C ATOM 1047 O ARG A 2 -8.146 10.052 13.387 1.00 0.00 O ATOM 1048 CB ARG A 2 -5.633 11.705 12.158 1.00 0.00 C ATOM 1049 CG ARG A 2 -5.357 12.778 11.094 1.00 0.00 C ATOM 1050 CD ARG A 2 -6.340 12.652 9.900 1.00 0.00 C ATOM 1051 NE ARG A 2 -7.205 13.865 9.839 1.00 0.00 N ATOM 1052 CZ ARG A 2 -7.839 14.163 8.735 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -7.690 13.419 7.672 1.00 0.00 N ATOM 1054 NH2 ARG A 2 -8.616 15.210 8.691 1.00 0.00 N ATOM 0 H ARG A 2 -5.758 13.529 13.884 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.694 12.255 12.149 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.802 11.652 12.862 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.716 10.724 11.689 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.448 13.768 11.540 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.332 12.683 10.736 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.785 12.541 8.968 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.955 11.759 10.014 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.302 14.463 10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.078 12.604 7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.186 13.653 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.729 15.796 9.518 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.110 15.442 7.830 1.00 0.00 H new ATOM 1068 N ALA A 3 -6.825 10.806 14.973 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.165 9.687 15.910 1.00 0.00 C ATOM 1070 C ALA A 3 -8.644 9.288 15.776 1.00 0.00 C ATOM 1071 O ALA A 3 -9.537 10.057 16.075 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.916 10.162 17.345 1.00 0.00 C ATOM 0 H ALA A 3 -6.157 11.482 15.343 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.545 8.824 15.667 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.159 9.359 18.041 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.868 10.438 17.460 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.544 11.027 17.556 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.901 8.079 15.339 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.314 7.602 15.193 1.00 0.00 C ATOM 1080 C GLY A 4 -10.821 7.796 13.754 1.00 0.00 C ATOM 1081 O GLY A 4 -11.956 7.486 13.451 1.00 0.00 O ATOM 0 H GLY A 4 -8.189 7.398 15.075 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.374 6.548 15.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.957 8.146 15.884 1.00 0.00 H new ATOM 1085 N THR A 5 -10.010 8.304 12.863 1.00 0.00 N ATOM 1086 CA THR A 5 -10.489 8.504 11.460 1.00 0.00 C ATOM 1087 C THR A 5 -10.914 7.162 10.878 1.00 0.00 C ATOM 1088 O THR A 5 -10.120 6.249 10.761 1.00 0.00 O ATOM 1089 CB THR A 5 -9.372 9.079 10.583 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.841 10.251 11.184 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.927 9.430 9.195 1.00 0.00 C ATOM 0 H THR A 5 -9.046 8.587 13.041 1.00 0.00 H new ATOM 0 HA THR A 5 -11.328 9.200 11.478 1.00 0.00 H new ATOM 0 HB THR A 5 -8.584 8.333 10.482 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.051 10.252 12.141 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.128 9.838 8.576 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.327 8.531 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.721 10.170 9.297 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.152 7.049 10.475 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.648 5.786 9.848 1.00 0.00 C ATOM 1101 C VAL A 6 -13.038 6.138 8.420 1.00 0.00 C ATOM 1102 O VAL A 6 -13.593 7.190 8.172 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.876 5.262 10.605 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.448 4.705 11.966 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.882 6.399 10.814 1.00 0.00 C ATOM 0 H VAL A 6 -12.851 7.788 10.554 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.883 5.010 9.875 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.342 4.469 10.019 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.324 4.334 12.499 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.740 3.889 11.819 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.975 5.495 12.550 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.752 6.021 11.352 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.415 7.196 11.393 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.196 6.790 9.846 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.756 5.300 7.470 1.00 0.00 N ATOM 1116 CA CYS A 7 -13.117 5.643 6.074 1.00 0.00 C ATOM 1117 C CYS A 7 -14.621 5.772 5.931 1.00 0.00 C ATOM 1118 O CYS A 7 -15.369 4.840 6.147 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.592 4.556 5.151 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.978 4.969 3.433 1.00 0.00 S ATOM 0 H CYS A 7 -12.295 4.399 7.597 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.669 6.600 5.807 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.514 4.450 5.276 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.039 3.597 5.413 1.00 0.00 H new ATOM 1125 N SER A 8 -15.063 6.936 5.565 1.00 0.00 N ATOM 1126 CA SER A 8 -16.515 7.164 5.398 1.00 0.00 C ATOM 1127 C SER A 8 -17.075 6.223 4.331 1.00 0.00 C ATOM 1128 O SER A 8 -18.175 5.722 4.456 1.00 0.00 O ATOM 1129 CB SER A 8 -16.745 8.609 4.957 1.00 0.00 C ATOM 1130 OG SER A 8 -16.430 9.484 6.032 1.00 0.00 O ATOM 0 H SER A 8 -14.474 7.746 5.373 1.00 0.00 H new ATOM 0 HA SER A 8 -17.019 6.973 6.345 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.125 8.840 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.782 8.748 4.652 1.00 0.00 H new ATOM 0 HG SER A 8 -15.460 9.620 6.069 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.354 6.008 3.257 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.898 5.136 2.180 1.00 0.00 C ATOM 1138 C ASN A 9 -16.826 3.650 2.538 1.00 0.00 C ATOM 1139 O ASN A 9 -17.735 2.912 2.207 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.100 5.373 0.900 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.421 6.763 0.354 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.439 7.336 0.686 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.588 7.333 -0.471 1.00 0.00 N ATOM 0 H ASN A 9 -15.426 6.394 3.084 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.948 5.395 2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.032 5.287 1.102 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.346 4.613 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.791 8.262 -0.839 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.734 6.850 -0.748 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.761 3.172 3.167 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.687 1.698 3.472 1.00 0.00 C ATOM 1152 C CYS A 10 -15.372 1.424 4.947 1.00 0.00 C ATOM 1153 O CYS A 10 -15.050 0.310 5.310 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.651 1.021 2.556 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.961 1.314 3.149 1.00 0.00 S ATOM 0 H CYS A 10 -14.961 3.726 3.474 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.671 1.271 3.276 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.844 -0.051 2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.754 1.403 1.541 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.501 2.399 5.809 1.00 0.00 N ATOM 1161 CA GLN A 11 -15.265 2.170 7.271 1.00 0.00 C ATOM 1162 C GLN A 11 -13.871 1.593 7.580 1.00 0.00 C ATOM 1163 O GLN A 11 -13.556 1.355 8.729 1.00 0.00 O ATOM 1164 CB GLN A 11 -16.336 1.212 7.815 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.711 1.891 7.777 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.779 0.918 8.288 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.534 -0.267 8.400 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.965 1.370 8.600 1.00 0.00 N ATOM 0 H GLN A 11 -15.762 3.354 5.563 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.323 3.144 7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.355 0.299 7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -16.092 0.922 8.837 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.700 2.791 8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.946 2.203 6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -20.173 2.364 8.507 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -20.683 0.728 8.937 1.00 0.00 H new ATOM 1177 N THR A 12 -13.027 1.357 6.609 1.00 0.00 N ATOM 1178 CA THR A 12 -11.681 0.791 6.952 1.00 0.00 C ATOM 1179 C THR A 12 -10.888 1.820 7.778 1.00 0.00 C ATOM 1180 O THR A 12 -11.108 3.008 7.652 1.00 0.00 O ATOM 1181 CB THR A 12 -10.921 0.421 5.662 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.844 -0.444 5.989 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.372 1.665 4.960 1.00 0.00 C ATOM 0 H THR A 12 -13.201 1.525 5.618 1.00 0.00 H new ATOM 0 HA THR A 12 -11.805 -0.115 7.546 1.00 0.00 H new ATOM 0 HB THR A 12 -11.617 -0.073 4.984 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.358 -0.684 5.173 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.842 1.368 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.196 2.328 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.686 2.186 5.627 1.00 0.00 H new ATOM 1191 N SER A 13 -9.960 1.378 8.617 1.00 0.00 N ATOM 1192 CA SER A 13 -9.146 2.353 9.443 1.00 0.00 C ATOM 1193 C SER A 13 -7.682 2.291 8.997 1.00 0.00 C ATOM 1194 O SER A 13 -6.864 3.096 9.398 1.00 0.00 O ATOM 1195 CB SER A 13 -9.255 2.009 10.931 1.00 0.00 C ATOM 1196 OG SER A 13 -8.158 2.584 11.631 1.00 0.00 O ATOM 0 H SER A 13 -9.733 0.394 8.764 1.00 0.00 H new ATOM 0 HA SER A 13 -9.531 3.361 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.195 2.385 11.334 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.260 0.927 11.066 1.00 0.00 H new ATOM 0 HG SER A 13 -7.634 3.141 11.018 1.00 0.00 H new ATOM 1202 N THR A 14 -7.352 1.351 8.150 1.00 0.00 N ATOM 1203 CA THR A 14 -5.950 1.238 7.645 1.00 0.00 C ATOM 1204 C THR A 14 -5.888 1.927 6.287 1.00 0.00 C ATOM 1205 O THR A 14 -6.569 1.536 5.360 1.00 0.00 O ATOM 1206 CB THR A 14 -5.587 -0.240 7.473 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.680 -0.928 6.882 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.277 -0.856 8.835 1.00 0.00 C ATOM 0 H THR A 14 -7.998 0.652 7.784 1.00 0.00 H new ATOM 0 HA THR A 14 -5.254 1.699 8.346 1.00 0.00 H new ATOM 0 HB THR A 14 -4.710 -0.324 6.831 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.039 -0.397 6.141 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.019 -1.908 8.709 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.439 -0.329 9.290 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.152 -0.772 9.480 1.00 0.00 H new ATOM 1216 N THR A 15 -5.092 2.955 6.154 1.00 0.00 N ATOM 1217 CA THR A 15 -5.016 3.669 4.844 1.00 0.00 C ATOM 1218 C THR A 15 -3.592 4.158 4.609 1.00 0.00 C ATOM 1219 O THR A 15 -2.897 4.532 5.531 1.00 0.00 O ATOM 1220 CB THR A 15 -5.930 4.896 4.889 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.248 5.963 5.533 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.187 4.576 5.686 1.00 0.00 C ATOM 0 H THR A 15 -4.494 3.330 6.891 1.00 0.00 H new ATOM 0 HA THR A 15 -5.319 2.988 4.049 1.00 0.00 H new ATOM 0 HB THR A 15 -6.200 5.176 3.871 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.848 6.394 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.833 5.453 5.714 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.717 3.750 5.213 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.912 4.295 6.703 1.00 0.00 H new ATOM 1230 N THR A 16 -3.161 4.199 3.381 1.00 0.00 N ATOM 1231 CA THR A 16 -1.795 4.714 3.112 1.00 0.00 C ATOM 1232 C THR A 16 -1.859 6.237 3.208 1.00 0.00 C ATOM 1233 O THR A 16 -0.956 6.880 3.705 1.00 0.00 O ATOM 1234 CB THR A 16 -1.332 4.314 1.710 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.107 5.013 0.747 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.485 2.804 1.493 1.00 0.00 C ATOM 0 H THR A 16 -3.690 3.901 2.561 1.00 0.00 H new ATOM 0 HA THR A 16 -1.090 4.298 3.831 1.00 0.00 H new ATOM 0 HB THR A 16 -0.278 4.571 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.184 4.472 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.149 2.545 0.489 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.883 2.268 2.227 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.532 2.524 1.609 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.945 6.817 2.750 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.100 8.304 2.828 1.00 0.00 C ATOM 1246 C LEU A 17 -4.593 8.643 2.984 1.00 0.00 C ATOM 1247 O LEU A 17 -5.432 8.156 2.251 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.533 8.971 1.553 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.966 10.367 1.877 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.749 10.249 2.833 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.557 11.075 0.559 1.00 0.00 C ATOM 0 H LEU A 17 -3.730 6.323 2.326 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.546 8.683 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.750 8.345 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.318 9.057 0.801 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.732 10.959 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.360 11.244 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.060 9.769 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.030 9.652 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.156 12.063 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.797 10.483 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.430 11.177 -0.085 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.929 9.481 3.927 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.356 9.864 4.123 1.00 0.00 C ATOM 1265 C TRP A 18 -6.739 10.914 3.070 1.00 0.00 C ATOM 1266 O TRP A 18 -6.049 11.901 2.900 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.512 10.470 5.526 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.501 9.374 6.553 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.510 9.155 7.448 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.505 8.344 6.798 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.844 8.056 8.224 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.061 7.523 7.861 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.742 8.044 6.207 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.818 6.445 8.321 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.505 6.959 6.665 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.044 6.161 7.717 1.00 0.00 C ATOM 0 H TRP A 18 -4.273 9.919 4.573 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.001 8.991 4.021 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.702 11.173 5.721 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.444 11.032 5.589 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.607 9.740 7.542 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.259 7.687 8.973 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.109 8.653 5.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.459 5.836 9.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.455 6.739 6.202 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.636 5.326 8.062 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.827 10.712 2.359 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.251 11.703 1.309 1.00 0.00 C ATOM 1289 C ARG A 19 -9.561 12.361 1.729 1.00 0.00 C ATOM 1290 O ARG A 19 -10.546 11.694 1.940 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.507 10.985 -0.033 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.434 9.939 -0.294 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.103 10.624 -0.559 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.158 9.620 -1.120 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.032 9.994 -1.656 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.674 11.244 -1.645 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.262 9.109 -2.210 1.00 0.00 N ATOM 0 H ARG A 19 -8.441 9.904 2.460 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.458 12.442 1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.488 10.511 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.518 11.713 -0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.346 9.272 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.713 9.323 -1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.235 11.451 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.704 11.046 0.363 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.395 8.629 -1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.278 11.944 -1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.789 11.525 -2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.540 8.128 -2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.378 9.394 -2.632 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.615 13.646 1.840 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.907 14.269 2.219 1.00 0.00 C ATOM 1313 C ARG A 20 -11.851 14.154 1.007 1.00 0.00 C ATOM 1314 O ARG A 20 -11.430 14.318 -0.122 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.661 15.737 2.570 1.00 0.00 C ATOM 1316 CG ARG A 20 -11.906 16.342 3.243 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.839 16.108 4.753 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.719 16.906 5.324 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.638 17.078 6.610 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.522 16.524 7.394 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.672 17.794 7.117 1.00 0.00 N ATOM 0 H ARG A 20 -8.837 14.288 1.689 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.352 13.775 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.803 15.819 3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.419 16.298 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.962 17.410 3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.809 15.888 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.781 16.396 5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.690 15.049 4.962 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.017 17.316 4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.273 15.959 6.997 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.462 16.656 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.978 18.221 6.504 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.611 17.927 8.126 1.00 0.00 H new ATOM 1335 N SER A 21 -13.117 13.873 1.219 1.00 0.00 N ATOM 1336 CA SER A 21 -14.065 13.747 0.055 1.00 0.00 C ATOM 1337 C SER A 21 -14.714 15.112 -0.232 1.00 0.00 C ATOM 1338 O SER A 21 -14.716 15.987 0.608 1.00 0.00 O ATOM 1339 CB SER A 21 -15.143 12.695 0.372 1.00 0.00 C ATOM 1340 OG SER A 21 -16.437 13.225 0.096 1.00 0.00 O ATOM 0 H SER A 21 -13.535 13.726 2.138 1.00 0.00 H new ATOM 0 HA SER A 21 -13.515 13.426 -0.829 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.974 11.798 -0.224 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.078 12.399 1.419 1.00 0.00 H new ATOM 0 HG SER A 21 -16.868 13.490 0.935 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.253 15.300 -1.421 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.895 16.597 -1.785 1.00 0.00 C ATOM 1348 C PRO A 22 -16.962 17.038 -0.768 1.00 0.00 C ATOM 1349 O PRO A 22 -17.316 18.197 -0.689 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.528 16.284 -3.162 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.224 14.815 -3.523 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.258 14.246 -2.478 1.00 0.00 C ATOM 0 HA PRO A 22 -15.186 17.425 -1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.605 16.450 -3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.125 16.952 -3.924 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.145 14.232 -3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.784 14.753 -4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.601 13.287 -2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.263 14.085 -2.893 1.00 0.00 H new ATOM 1360 N MET A 23 -17.480 16.119 0.007 1.00 0.00 N ATOM 1361 CA MET A 23 -18.526 16.477 1.014 1.00 0.00 C ATOM 1362 C MET A 23 -17.870 16.689 2.381 1.00 0.00 C ATOM 1363 O MET A 23 -18.503 17.113 3.326 1.00 0.00 O ATOM 1364 CB MET A 23 -19.541 15.336 1.112 1.00 0.00 C ATOM 1365 CG MET A 23 -20.355 15.255 -0.182 1.00 0.00 C ATOM 1366 SD MET A 23 -19.306 14.630 -1.521 1.00 0.00 S ATOM 1367 CE MET A 23 -20.143 15.483 -2.880 1.00 0.00 C ATOM 0 H MET A 23 -17.223 15.132 -0.014 1.00 0.00 H new ATOM 0 HA MET A 23 -19.029 17.394 0.707 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.025 14.392 1.288 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.205 15.499 1.961 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.214 14.599 -0.043 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.745 16.240 -0.441 1.00 0.00 H new ATOM 0 HE1 MET A 23 -19.652 15.237 -3.822 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.185 15.167 -2.921 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.096 16.560 -2.717 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.609 16.374 2.494 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.905 16.532 3.800 1.00 0.00 C ATOM 1379 C GLY A 24 -16.033 15.233 4.596 1.00 0.00 C ATOM 1380 O GLY A 24 -16.012 15.234 5.811 1.00 0.00 O ATOM 0 H GLY A 24 -16.032 16.012 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.854 16.770 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.335 17.361 4.361 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.169 14.117 3.921 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.300 12.805 4.620 1.00 0.00 C ATOM 1386 C ASP A 25 -14.955 12.044 4.532 1.00 0.00 C ATOM 1387 O ASP A 25 -14.582 11.598 3.470 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.365 11.988 3.879 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.648 12.814 3.752 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.644 13.950 4.195 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.613 12.294 3.213 1.00 0.00 O ATOM 0 H ASP A 25 -16.195 14.062 2.903 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.572 12.956 5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.001 11.708 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.568 11.062 4.418 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.218 11.881 5.611 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.912 11.153 5.535 1.00 0.00 C ATOM 1398 C PRO A 26 -13.008 9.798 4.799 1.00 0.00 C ATOM 1399 O PRO A 26 -13.892 9.004 5.051 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.570 10.970 7.027 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.380 12.011 7.814 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.599 12.393 6.963 1.00 0.00 C ATOM 0 HA PRO A 26 -12.158 11.692 4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.818 9.961 7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.502 11.107 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.696 11.604 8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.771 12.890 8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.513 11.928 7.331 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.769 13.470 6.957 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.072 9.528 3.911 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.069 8.210 3.173 1.00 0.00 C ATOM 1412 C VAL A 27 -10.639 7.671 3.076 1.00 0.00 C ATOM 1413 O VAL A 27 -9.685 8.412 3.191 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.639 8.358 1.761 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.151 8.582 1.836 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.958 9.531 1.054 1.00 0.00 C ATOM 0 H VAL A 27 -11.311 10.160 3.664 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.697 7.517 3.732 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.449 7.448 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.554 8.687 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.621 7.730 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.357 9.488 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.365 9.635 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.138 10.448 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.885 9.347 0.994 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.472 6.389 2.843 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.095 5.827 2.729 1.00 0.00 C ATOM 1428 C CYS A 28 -8.546 6.068 1.315 1.00 0.00 C ATOM 1429 O CYS A 28 -9.283 6.309 0.379 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.093 4.324 3.088 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.933 3.305 1.837 1.00 0.00 S ATOM 0 H CYS A 28 -11.228 5.714 2.728 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.441 6.335 3.438 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.064 3.982 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.581 4.184 4.053 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.246 6.051 1.174 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.603 6.328 -0.151 1.00 0.00 C ATOM 1438 C ASN A 29 -7.222 5.496 -1.277 1.00 0.00 C ATOM 1439 O ASN A 29 -7.437 5.991 -2.365 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.114 5.988 -0.049 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.395 6.417 -1.325 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.978 6.432 -2.391 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.140 6.771 -1.260 1.00 0.00 N ATOM 0 H ASN A 29 -6.591 5.854 1.931 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.757 7.380 -0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.675 6.491 0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.986 4.917 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.647 7.061 -2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.652 6.758 -0.364 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.493 4.250 -1.055 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.074 3.433 -2.157 1.00 0.00 C ATOM 1452 C ALA A 30 -9.472 3.957 -2.544 1.00 0.00 C ATOM 1453 O ALA A 30 -9.744 4.202 -3.703 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.156 1.981 -1.713 1.00 0.00 C ATOM 0 H ALA A 30 -7.342 3.761 -0.173 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.433 3.508 -3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.581 1.378 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.157 1.616 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.790 1.906 -0.829 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.364 4.119 -1.596 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.746 4.614 -1.933 1.00 0.00 C ATOM 1462 C CYS A 31 -11.675 5.932 -2.699 1.00 0.00 C ATOM 1463 O CYS A 31 -12.357 6.140 -3.668 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.543 4.896 -0.646 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.177 3.370 0.068 1.00 0.00 S ATOM 0 H CYS A 31 -10.200 3.932 -0.607 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.226 3.841 -2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.904 5.402 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.371 5.570 -0.867 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.879 6.833 -2.248 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.818 8.147 -2.927 1.00 0.00 C ATOM 1472 C GLY A 32 -10.521 7.980 -4.416 1.00 0.00 C ATOM 1473 O GLY A 32 -11.164 8.579 -5.253 1.00 0.00 O ATOM 0 H GLY A 32 -10.265 6.725 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.765 8.671 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.047 8.763 -2.465 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.543 7.197 -4.757 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.201 7.026 -6.196 1.00 0.00 C ATOM 1479 C LEU A 33 -10.289 6.241 -6.936 1.00 0.00 C ATOM 1480 O LEU A 33 -10.867 6.726 -7.885 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.873 6.275 -6.302 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.754 7.102 -5.656 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.526 6.210 -5.454 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.383 8.297 -6.554 1.00 0.00 C ATOM 0 H LEU A 33 -8.964 6.667 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.122 8.011 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.952 5.306 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.637 6.082 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.099 7.483 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.726 6.791 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.786 5.374 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.190 5.829 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.588 8.874 -6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.041 7.932 -7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.258 8.932 -6.694 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.577 5.040 -6.528 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.627 4.268 -7.251 1.00 0.00 C ATOM 1498 C TYR A 34 -12.961 5.009 -7.194 1.00 0.00 C ATOM 1499 O TYR A 34 -13.682 5.077 -8.169 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.794 2.875 -6.643 1.00 0.00 C ATOM 1501 CG TYR A 34 -12.934 2.174 -7.350 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -12.834 1.879 -8.716 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.095 1.837 -6.648 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -13.895 1.250 -9.376 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.156 1.209 -7.307 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.057 0.917 -8.672 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.104 0.300 -9.323 1.00 0.00 O ATOM 0 H TYR A 34 -10.141 4.563 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.313 4.164 -8.290 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.873 2.302 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.000 2.950 -5.575 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.937 2.137 -9.260 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.172 2.062 -5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.817 1.022 -10.429 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.052 0.949 -6.763 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.833 0.137 -8.689 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.307 5.556 -6.066 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.600 6.279 -5.965 1.00 0.00 C ATOM 1519 C TYR A 35 -14.563 7.504 -6.879 1.00 0.00 C ATOM 1520 O TYR A 35 -15.489 7.794 -7.590 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.829 6.725 -4.517 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.282 7.072 -4.323 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.741 8.336 -4.692 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.167 6.135 -3.768 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.085 8.674 -4.506 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.511 6.469 -3.584 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.972 7.740 -3.952 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.297 8.075 -3.766 1.00 0.00 O ATOM 0 H TYR A 35 -12.751 5.534 -5.211 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.413 5.619 -6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.539 5.930 -3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.204 7.588 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.058 9.054 -5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.809 5.156 -3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.440 9.654 -4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.194 5.748 -3.159 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.775 7.315 -3.373 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.501 8.237 -6.862 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.430 9.441 -7.730 1.00 0.00 C ATOM 1540 C LYS A 36 -13.574 9.036 -9.199 1.00 0.00 C ATOM 1541 O LYS A 36 -14.268 9.676 -9.962 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.067 10.092 -7.504 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.892 11.307 -8.407 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.562 11.989 -8.068 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.378 11.122 -8.527 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.170 11.982 -8.661 1.00 0.00 N ATOM 0 H LYS A 36 -12.676 8.061 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.234 10.136 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.971 10.392 -6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.276 9.369 -7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.904 11.004 -9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.719 12.003 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.514 12.965 -8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.499 12.161 -6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.194 10.324 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.608 10.645 -9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.364 11.403 -8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.351 12.728 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.950 12.417 -7.742 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.913 7.994 -9.604 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.997 7.558 -11.028 1.00 0.00 C ATOM 1562 C LEU A 37 -14.351 6.895 -11.339 1.00 0.00 C ATOM 1563 O LEU A 37 -14.889 7.071 -12.415 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.861 6.552 -11.303 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.595 7.285 -11.765 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.152 8.294 -10.705 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.481 6.262 -11.986 1.00 0.00 C ATOM 0 H LEU A 37 -12.314 7.420 -9.011 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.901 8.436 -11.666 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.648 5.979 -10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.175 5.840 -12.066 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.806 7.817 -12.693 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.253 8.808 -11.045 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.946 9.023 -10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.941 7.772 -9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.577 6.774 -12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.281 5.735 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.790 5.546 -12.748 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.875 6.092 -10.442 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.161 5.364 -10.730 1.00 0.00 C ATOM 1581 C HIS A 38 -17.309 5.824 -9.820 1.00 0.00 C ATOM 1582 O HIS A 38 -18.439 5.430 -10.014 1.00 0.00 O ATOM 1583 CB HIS A 38 -15.904 3.873 -10.513 1.00 0.00 C ATOM 1584 CG HIS A 38 -14.689 3.474 -11.302 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -14.774 2.874 -12.550 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.349 3.603 -11.039 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -13.519 2.667 -12.986 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -12.611 3.092 -12.103 1.00 0.00 N ATOM 0 H HIS A 38 -14.471 5.907 -9.524 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.465 5.577 -11.755 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.751 3.666 -9.454 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -16.769 3.290 -10.830 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.930 4.035 -10.142 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.275 2.212 -13.935 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -11.596 3.051 -12.190 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.047 6.653 -8.847 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.119 7.154 -7.926 1.00 0.00 C ATOM 1598 C GLN A 39 -19.190 6.092 -7.628 1.00 0.00 C ATOM 1599 O GLN A 39 -20.376 6.352 -7.666 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.724 8.452 -8.486 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.466 8.194 -9.806 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.186 9.474 -10.242 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.722 10.566 -9.980 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.312 9.386 -10.898 1.00 0.00 N ATOM 0 H GLN A 39 -16.115 7.015 -8.644 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.659 7.376 -6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.412 8.880 -7.757 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.934 9.185 -8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.762 7.879 -10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.184 7.384 -9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.703 8.470 -11.119 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.800 10.233 -11.189 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.766 4.904 -7.268 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.725 3.821 -6.901 1.00 0.00 C ATOM 1615 C VAL A 40 -19.211 3.112 -5.649 1.00 0.00 C ATOM 1616 O VAL A 40 -18.026 2.918 -5.465 1.00 0.00 O ATOM 1617 CB VAL A 40 -19.844 2.796 -8.025 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.662 3.364 -9.189 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.447 2.414 -8.497 1.00 0.00 C ATOM 0 H VAL A 40 -17.783 4.638 -7.213 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.704 4.267 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.360 1.911 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.735 2.618 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.662 3.622 -8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.172 4.257 -9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -18.522 1.681 -9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -17.931 3.302 -8.862 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -17.887 1.985 -7.666 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.105 2.723 -4.796 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.708 2.013 -3.542 1.00 0.00 C ATOM 1631 C ASN A 41 -19.621 0.503 -3.812 1.00 0.00 C ATOM 1632 O ASN A 41 -20.477 -0.058 -4.467 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.771 2.269 -2.471 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.114 1.719 -2.954 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.301 1.497 -4.135 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.064 1.486 -2.090 1.00 0.00 N ATOM 0 H ASN A 41 -21.109 2.865 -4.908 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.738 2.378 -3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.484 1.790 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.853 3.337 -2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.962 1.118 -2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.909 1.672 -1.099 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.605 -0.166 -3.308 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.477 -1.650 -3.531 1.00 0.00 C ATOM 1645 C ARG A 42 -18.807 -2.382 -2.213 1.00 0.00 C ATOM 1646 O ARG A 42 -18.592 -1.837 -1.149 1.00 0.00 O ATOM 1647 CB ARG A 42 -17.037 -1.975 -3.945 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.802 -1.571 -5.415 1.00 0.00 C ATOM 1649 CD ARG A 42 -17.163 -2.734 -6.347 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.262 -3.889 -6.075 1.00 0.00 N ATOM 1651 CZ ARG A 42 -16.561 -5.070 -6.545 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -17.674 -5.245 -7.202 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -15.753 -6.076 -6.349 1.00 0.00 N ATOM 0 H ARG A 42 -17.858 0.251 -2.752 1.00 0.00 H new ATOM 0 HA ARG A 42 -19.163 -1.970 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.337 -1.446 -3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.846 -3.041 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -17.406 -0.697 -5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.759 -1.289 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -18.202 -3.026 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -17.068 -2.423 -7.387 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.414 -3.758 -5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -18.309 -4.460 -7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.909 -6.167 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.887 -5.940 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.988 -6.998 -6.717 1.00 0.00 H new ATOM 1667 N PRO A 43 -19.331 -3.599 -2.257 1.00 0.00 N ATOM 1668 CA PRO A 43 -19.668 -4.329 -0.994 1.00 0.00 C ATOM 1669 C PRO A 43 -18.432 -4.626 -0.112 1.00 0.00 C ATOM 1670 O PRO A 43 -18.268 -5.707 0.415 1.00 0.00 O ATOM 1671 CB PRO A 43 -20.319 -5.626 -1.525 1.00 0.00 C ATOM 1672 CG PRO A 43 -20.061 -5.710 -3.041 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.629 -4.318 -3.532 1.00 0.00 C ATOM 0 HA PRO A 43 -20.312 -3.748 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -19.900 -6.496 -1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -21.390 -5.624 -1.321 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -19.286 -6.446 -3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.961 -6.035 -3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.755 -4.371 -4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -20.419 -3.826 -4.100 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.589 -3.650 0.072 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.386 -3.831 0.937 1.00 0.00 C ATOM 1683 C LEU A 44 -15.662 -5.148 0.633 1.00 0.00 C ATOM 1684 O LEU A 44 -14.821 -5.586 1.394 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.856 -3.847 2.401 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.822 -2.440 2.986 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.865 -1.565 2.289 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -17.128 -2.509 4.483 1.00 0.00 C ATOM 0 H LEU A 44 -17.681 -2.723 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.689 -3.015 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.868 -4.248 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -16.217 -4.507 2.987 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.833 -2.007 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.837 -0.560 2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.646 -1.517 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.856 -1.993 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.105 -1.505 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -18.117 -2.943 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.381 -3.129 4.979 1.00 0.00 H new ATOM 1700 N THR A 45 -15.969 -5.788 -0.446 1.00 0.00 N ATOM 1701 CA THR A 45 -15.278 -7.069 -0.747 1.00 0.00 C ATOM 1702 C THR A 45 -13.840 -6.780 -1.184 1.00 0.00 C ATOM 1703 O THR A 45 -13.033 -7.676 -1.339 1.00 0.00 O ATOM 1704 CB THR A 45 -16.024 -7.803 -1.862 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.368 -9.031 -2.138 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.051 -6.933 -3.121 1.00 0.00 C ATOM 0 H THR A 45 -16.662 -5.488 -1.132 1.00 0.00 H new ATOM 0 HA THR A 45 -15.264 -7.696 0.145 1.00 0.00 H new ATOM 0 HB THR A 45 -17.048 -8.004 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.441 -8.985 -1.822 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.583 -7.458 -3.915 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.559 -5.994 -2.903 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.030 -6.727 -3.443 1.00 0.00 H new ATOM 1714 N MET A 46 -13.525 -5.533 -1.418 1.00 0.00 N ATOM 1715 CA MET A 46 -12.149 -5.172 -1.888 1.00 0.00 C ATOM 1716 C MET A 46 -11.268 -4.706 -0.717 1.00 0.00 C ATOM 1717 O MET A 46 -10.058 -4.672 -0.819 1.00 0.00 O ATOM 1718 CB MET A 46 -12.282 -4.040 -2.916 1.00 0.00 C ATOM 1719 CG MET A 46 -10.933 -3.748 -3.585 1.00 0.00 C ATOM 1720 SD MET A 46 -10.478 -5.113 -4.684 1.00 0.00 S ATOM 1721 CE MET A 46 -9.619 -4.120 -5.936 1.00 0.00 C ATOM 0 H MET A 46 -14.162 -4.744 -1.304 1.00 0.00 H new ATOM 0 HA MET A 46 -11.676 -6.048 -2.332 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.016 -4.315 -3.673 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.652 -3.140 -2.426 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.992 -2.819 -4.151 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.163 -3.610 -2.825 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.279 -4.768 -6.744 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.301 -3.369 -6.336 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.760 -3.625 -5.482 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.846 -4.335 0.390 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.997 -3.856 1.520 1.00 0.00 C ATOM 1733 C ARG A 47 -10.185 -5.003 2.104 1.00 0.00 C ATOM 1734 O ARG A 47 -10.667 -6.105 2.278 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.863 -3.264 2.628 1.00 0.00 C ATOM 1736 CG ARG A 47 -12.889 -2.312 2.028 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.203 -1.169 1.283 1.00 0.00 C ATOM 1738 NE ARG A 47 -11.744 -1.623 -0.057 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.455 -0.738 -0.969 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.516 0.535 -0.685 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.099 -1.119 -2.159 1.00 0.00 N ATOM 0 H ARG A 47 -12.851 -4.341 0.563 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.326 -3.092 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.368 -4.062 3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.238 -2.734 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.541 -2.857 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.522 -1.908 2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.893 -0.332 1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.353 -0.808 1.862 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.656 -2.619 -0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.790 0.836 0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.290 1.228 -1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.045 -2.113 -2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.873 -0.424 -2.871 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.955 -4.725 2.440 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.071 -5.755 3.056 1.00 0.00 C ATOM 1757 C LYS A 48 -7.750 -5.298 4.478 1.00 0.00 C ATOM 1758 O LYS A 48 -7.340 -4.176 4.699 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.771 -5.867 2.252 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.061 -6.505 0.891 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.749 -6.677 0.108 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.133 -5.307 -0.231 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.157 -4.927 0.830 1.00 0.00 N ATOM 0 H LYS A 48 -8.518 -3.812 2.311 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.564 -6.727 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.330 -4.880 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.044 -6.468 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.543 -7.473 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.753 -5.881 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.043 -7.263 0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.938 -7.233 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.636 -5.349 -1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.916 -4.553 -0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.302 -4.531 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.585 -4.216 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.902 -5.769 1.385 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.946 -6.145 5.444 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.678 -5.766 6.861 1.00 0.00 C ATOM 1779 C ASP A 49 -6.235 -5.268 7.042 1.00 0.00 C ATOM 1780 O ASP A 49 -5.799 -5.016 8.149 1.00 0.00 O ATOM 1781 CB ASP A 49 -7.922 -6.982 7.755 1.00 0.00 C ATOM 1782 CG ASP A 49 -7.725 -6.594 9.221 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -8.607 -5.953 9.769 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -6.691 -6.939 9.769 1.00 0.00 O ATOM 0 H ASP A 49 -8.285 -7.098 5.313 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.349 -4.953 7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.933 -7.361 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.236 -7.786 7.487 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.485 -5.113 5.977 1.00 0.00 N ATOM 1790 CA GLY A 50 -4.079 -4.624 6.120 1.00 0.00 C ATOM 1791 C GLY A 50 -3.652 -3.862 4.861 1.00 0.00 C ATOM 1792 O GLY A 50 -4.281 -3.949 3.824 1.00 0.00 O ATOM 0 H GLY A 50 -5.784 -5.303 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.999 -3.974 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.409 -5.467 6.288 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.552 -3.154 4.933 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.032 -2.426 3.744 1.00 0.00 C ATOM 1798 C ILE A 51 -0.998 -3.320 3.050 1.00 0.00 C ATOM 1799 O ILE A 51 0.035 -3.616 3.619 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.372 -1.130 4.217 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.424 -0.314 4.990 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -0.860 -0.330 3.008 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.960 1.130 5.162 1.00 0.00 C ATOM 0 H ILE A 51 -1.989 -3.051 5.777 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.836 -2.187 3.048 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.522 -1.351 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.374 -0.336 4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.597 -0.765 5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.391 0.591 3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.129 -0.926 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.696 -0.088 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.716 1.692 5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.022 1.147 5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.811 1.583 4.182 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.240 -3.775 1.849 1.00 0.00 N ATOM 1816 CA GLN A 52 -0.229 -4.659 1.198 1.00 0.00 C ATOM 1817 C GLN A 52 0.971 -3.838 0.741 1.00 0.00 C ATOM 1818 O GLN A 52 0.938 -2.624 0.711 1.00 0.00 O ATOM 1819 CB GLN A 52 -0.844 -5.390 -0.001 1.00 0.00 C ATOM 1820 CG GLN A 52 -1.008 -4.456 -1.190 1.00 0.00 C ATOM 1821 CD GLN A 52 -1.877 -5.117 -2.256 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -1.959 -6.327 -2.331 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -2.541 -4.361 -3.088 1.00 0.00 N ATOM 0 H GLN A 52 -2.077 -3.578 1.300 1.00 0.00 H new ATOM 0 HA GLN A 52 0.100 -5.398 1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.210 -6.232 -0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.814 -5.801 0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.463 -3.519 -0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.031 -4.209 -1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.470 -3.346 -3.022 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.131 -4.786 -3.804 1.00 0.00 H new ATOM 1832 N THR A 53 2.036 -4.506 0.394 1.00 0.00 N ATOM 1833 CA THR A 53 3.269 -3.804 -0.058 1.00 0.00 C ATOM 1834 C THR A 53 3.841 -4.511 -1.285 1.00 0.00 C ATOM 1835 O THR A 53 3.538 -5.655 -1.557 1.00 0.00 O ATOM 1836 CB THR A 53 4.298 -3.827 1.071 1.00 0.00 C ATOM 1837 OG1 THR A 53 5.604 -3.707 0.529 1.00 0.00 O ATOM 1838 CG2 THR A 53 4.175 -5.133 1.843 1.00 0.00 C ATOM 0 H THR A 53 2.105 -5.524 0.405 1.00 0.00 H new ATOM 0 HA THR A 53 3.030 -2.773 -0.318 1.00 0.00 H new ATOM 0 HB THR A 53 4.115 -2.992 1.747 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.262 -3.720 1.255 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.909 -5.150 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.173 -5.214 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.355 -5.972 1.170 1.00 0.00 H new ATOM 1846 N ARG A 54 4.672 -3.828 -2.017 1.00 0.00 N ATOM 1847 CA ARG A 54 5.290 -4.429 -3.239 1.00 0.00 C ATOM 1848 C ARG A 54 6.701 -3.881 -3.431 1.00 0.00 C ATOM 1849 O ARG A 54 7.071 -2.871 -2.867 1.00 0.00 O ATOM 1850 CB ARG A 54 4.444 -4.098 -4.476 1.00 0.00 C ATOM 1851 CG ARG A 54 3.028 -4.674 -4.314 1.00 0.00 C ATOM 1852 CD ARG A 54 2.355 -4.828 -5.685 1.00 0.00 C ATOM 1853 NE ARG A 54 2.755 -6.135 -6.274 1.00 0.00 N ATOM 1854 CZ ARG A 54 2.066 -6.651 -7.250 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.021 -6.025 -7.719 1.00 0.00 N ATOM 1856 NH2 ARG A 54 2.422 -7.798 -7.756 1.00 0.00 N ATOM 0 H ARG A 54 4.956 -2.868 -1.822 1.00 0.00 H new ATOM 0 HA ARG A 54 5.334 -5.511 -3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.393 -3.018 -4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.913 -4.511 -5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.077 -5.642 -3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.431 -4.018 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.271 -4.777 -5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.650 -4.011 -6.344 1.00 0.00 H new ATOM 0 HE ARG A 54 3.571 -6.628 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.742 -5.128 -7.320 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.483 -6.432 -8.484 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.237 -8.287 -7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.885 -8.207 -8.521 1.00 0.00 H new ATOM 1870 N ASN A 55 7.492 -4.552 -4.220 1.00 0.00 N ATOM 1871 CA ASN A 55 8.886 -4.083 -4.450 1.00 0.00 C ATOM 1872 C ASN A 55 8.855 -2.665 -5.026 1.00 0.00 C ATOM 1873 O ASN A 55 8.017 -2.329 -5.841 1.00 0.00 O ATOM 1874 CB ASN A 55 9.594 -5.019 -5.432 1.00 0.00 C ATOM 1875 CG ASN A 55 11.093 -4.713 -5.420 1.00 0.00 C ATOM 1876 OD1 ASN A 55 11.553 -3.912 -4.631 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.881 -5.322 -6.260 1.00 0.00 N ATOM 0 H ASN A 55 7.233 -5.405 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 55 9.427 -4.083 -3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.420 -6.058 -5.153 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.191 -4.886 -6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.882 -5.126 -6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.497 -5.995 -6.923 1.00 0.00 H new ATOM 1884 N ARG A 56 9.757 -1.830 -4.596 1.00 0.00 N ATOM 1885 CA ARG A 56 9.788 -0.422 -5.098 1.00 0.00 C ATOM 1886 C ARG A 56 10.042 -0.424 -6.615 1.00 0.00 C ATOM 1887 O ARG A 56 10.989 -1.019 -7.088 1.00 0.00 O ATOM 1888 CB ARG A 56 10.928 0.353 -4.407 1.00 0.00 C ATOM 1889 CG ARG A 56 11.037 -0.027 -2.924 1.00 0.00 C ATOM 1890 CD ARG A 56 9.756 0.335 -2.171 1.00 0.00 C ATOM 1891 NE ARG A 56 9.949 -0.019 -0.736 1.00 0.00 N ATOM 1892 CZ ARG A 56 9.099 0.375 0.171 1.00 0.00 C ATOM 1893 NH1 ARG A 56 8.024 1.019 -0.178 1.00 0.00 N ATOM 1894 NH2 ARG A 56 9.320 0.106 1.428 1.00 0.00 N ATOM 0 H ARG A 56 10.480 -2.060 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 56 8.832 0.054 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.872 0.142 -4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.751 1.425 -4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.228 -1.096 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.886 0.488 -2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.540 1.398 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.905 -0.205 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 56 10.757 -0.577 -0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.845 1.217 -1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.360 1.326 0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.156 -0.411 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.657 0.413 2.140 1.00 0.00 H new ATOM 1908 N LYS A 57 9.211 0.238 -7.381 1.00 0.00 N ATOM 1909 CA LYS A 57 9.421 0.268 -8.863 1.00 0.00 C ATOM 1910 C LYS A 57 10.709 1.023 -9.195 1.00 0.00 C ATOM 1911 O LYS A 57 11.496 1.340 -8.325 1.00 0.00 O ATOM 1912 CB LYS A 57 8.251 0.959 -9.550 1.00 0.00 C ATOM 1913 CG LYS A 57 7.919 2.237 -8.806 1.00 0.00 C ATOM 1914 CD LYS A 57 6.815 2.967 -9.554 1.00 0.00 C ATOM 1915 CE LYS A 57 6.305 4.122 -8.691 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.260 4.886 -9.430 1.00 0.00 N ATOM 0 H LYS A 57 8.399 0.757 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 57 9.495 -0.759 -9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.503 1.183 -10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.384 0.299 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.599 2.009 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.804 2.869 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.191 3.345 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.000 2.281 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.894 3.736 -7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.131 4.782 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.698 5.446 -8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.715 5.523 -10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.637 4.223 -9.934 1.00 0.00 H new ATOM 1930 N VAL A 58 10.924 1.322 -10.452 1.00 0.00 N ATOM 1931 CA VAL A 58 12.154 2.066 -10.842 1.00 0.00 C ATOM 1932 C VAL A 58 12.304 3.273 -9.921 1.00 0.00 C ATOM 1933 O VAL A 58 11.328 3.852 -9.489 1.00 0.00 O ATOM 1934 CB VAL A 58 12.034 2.545 -12.297 1.00 0.00 C ATOM 1935 CG1 VAL A 58 10.740 3.347 -12.479 1.00 0.00 C ATOM 1936 CG2 VAL A 58 13.236 3.431 -12.650 1.00 0.00 C ATOM 0 H VAL A 58 10.300 1.082 -11.222 1.00 0.00 H new ATOM 0 HA VAL A 58 13.024 1.415 -10.754 1.00 0.00 H new ATOM 0 HB VAL A 58 12.015 1.677 -12.956 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.663 3.683 -13.513 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.884 2.717 -12.237 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.752 4.212 -11.816 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.148 3.769 -13.682 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.259 4.295 -11.986 1.00 0.00 H new ATOM 0 HG23 VAL A 58 14.156 2.859 -12.533 1.00 0.00 H new ATOM 1946 N SER A 59 13.505 3.662 -9.609 1.00 0.00 N ATOM 1947 CA SER A 59 13.674 4.836 -8.714 1.00 0.00 C ATOM 1948 C SER A 59 13.566 6.112 -9.540 1.00 0.00 C ATOM 1949 O SER A 59 13.827 6.124 -10.727 1.00 0.00 O ATOM 1950 CB SER A 59 15.035 4.779 -8.028 1.00 0.00 C ATOM 1951 OG SER A 59 16.058 5.022 -8.983 1.00 0.00 O ATOM 0 H SER A 59 14.368 3.224 -9.930 1.00 0.00 H new ATOM 0 HA SER A 59 12.896 4.825 -7.951 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.084 5.521 -7.231 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.180 3.803 -7.565 1.00 0.00 H new ATOM 0 HG SER A 59 16.932 4.987 -8.542 1.00 0.00 H new ATOM 1957 N SER A 60 13.188 7.189 -8.920 1.00 0.00 N ATOM 1958 CA SER A 60 13.063 8.475 -9.654 1.00 0.00 C ATOM 1959 C SER A 60 13.347 9.611 -8.675 1.00 0.00 C ATOM 1960 O SER A 60 12.557 10.515 -8.494 1.00 0.00 O ATOM 1961 CB SER A 60 11.651 8.602 -10.232 1.00 0.00 C ATOM 1962 OG SER A 60 11.511 9.873 -10.855 1.00 0.00 O ATOM 0 H SER A 60 12.958 7.235 -7.927 1.00 0.00 H new ATOM 0 HA SER A 60 13.773 8.517 -10.480 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.469 7.807 -10.956 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.910 8.488 -9.441 1.00 0.00 H new ATOM 0 HG SER A 60 11.582 10.578 -10.178 1.00 0.00 H new ATOM 1968 N LYS A 61 14.490 9.556 -8.046 1.00 0.00 N ATOM 1969 CA LYS A 61 14.880 10.609 -7.070 1.00 0.00 C ATOM 1970 C LYS A 61 14.985 11.958 -7.775 1.00 0.00 C ATOM 1971 O LYS A 61 14.645 12.984 -7.222 1.00 0.00 O ATOM 1972 CB LYS A 61 16.226 10.234 -6.442 1.00 0.00 C ATOM 1973 CG LYS A 61 16.022 9.025 -5.526 1.00 0.00 C ATOM 1974 CD LYS A 61 17.349 8.622 -4.880 1.00 0.00 C ATOM 1975 CE LYS A 61 17.102 7.448 -3.929 1.00 0.00 C ATOM 1976 NZ LYS A 61 18.373 7.077 -3.244 1.00 0.00 N ATOM 0 H LYS A 61 15.179 8.814 -8.170 1.00 0.00 H new ATOM 0 HA LYS A 61 14.124 10.684 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.953 10.000 -7.219 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.625 11.075 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.291 9.264 -4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.619 8.189 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 61 18.071 8.341 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.774 9.465 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.346 7.718 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.715 6.594 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.200 6.279 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 19.082 6.801 -3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.725 7.891 -2.701 1.00 0.00 H new ATOM 1990 N GLY A 62 15.452 11.969 -8.993 1.00 0.00 N ATOM 1991 CA GLY A 62 15.575 13.259 -9.727 1.00 0.00 C ATOM 1992 C GLY A 62 15.529 13.000 -11.230 1.00 0.00 C ATOM 1993 O GLY A 62 15.418 11.876 -11.678 1.00 0.00 O ATOM 0 H GLY A 62 15.753 11.143 -9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.767 13.931 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.510 13.752 -9.461 1.00 0.00 H new ATOM 1997 N LYS A 63 15.602 14.038 -12.013 1.00 0.00 N ATOM 1998 CA LYS A 63 15.553 13.872 -13.489 1.00 0.00 C ATOM 1999 C LYS A 63 16.234 15.068 -14.151 1.00 0.00 C ATOM 2000 O LYS A 63 16.401 16.108 -13.545 1.00 0.00 O ATOM 2001 CB LYS A 63 14.089 13.776 -13.925 1.00 0.00 C ATOM 2002 CG LYS A 63 14.002 13.653 -15.449 1.00 0.00 C ATOM 2003 CD LYS A 63 12.639 13.073 -15.838 1.00 0.00 C ATOM 2004 CE LYS A 63 11.523 13.997 -15.347 1.00 0.00 C ATOM 2005 NZ LYS A 63 10.260 13.670 -16.067 1.00 0.00 N ATOM 0 H LYS A 63 15.694 15.001 -11.690 1.00 0.00 H new ATOM 0 HA LYS A 63 16.075 12.963 -13.789 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.617 12.913 -13.455 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.543 14.659 -13.592 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.139 14.630 -15.912 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.801 13.011 -15.819 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.578 12.958 -16.920 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.519 12.080 -15.404 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.384 13.879 -14.272 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.795 15.038 -15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.499 14.297 -15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.398 13.804 -17.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.000 12.681 -15.880 1.00 0.00 H new ATOM 2019 N LYS A 64 16.646 14.932 -15.382 1.00 0.00 N ATOM 2020 CA LYS A 64 17.330 16.068 -16.054 1.00 0.00 C ATOM 2021 C LYS A 64 16.336 17.213 -16.245 1.00 0.00 C ATOM 2022 O LYS A 64 15.267 17.037 -16.796 1.00 0.00 O ATOM 2023 CB LYS A 64 17.855 15.618 -17.419 1.00 0.00 C ATOM 2024 CG LYS A 64 18.771 16.702 -17.987 1.00 0.00 C ATOM 2025 CD LYS A 64 19.283 16.274 -19.363 1.00 0.00 C ATOM 2026 CE LYS A 64 20.221 17.350 -19.911 1.00 0.00 C ATOM 2027 NZ LYS A 64 21.531 17.263 -19.208 1.00 0.00 N ATOM 0 H LYS A 64 16.539 14.089 -15.946 1.00 0.00 H new ATOM 0 HA LYS A 64 18.165 16.404 -15.439 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.400 14.679 -17.321 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.023 15.434 -18.099 1.00 0.00 H new ATOM 0 HG2 LYS A 64 18.229 17.645 -18.067 1.00 0.00 H new ATOM 0 HG3 LYS A 64 19.610 16.873 -17.313 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.808 15.322 -19.288 1.00 0.00 H new ATOM 0 HD3 LYS A 64 18.446 16.124 -20.045 1.00 0.00 H new ATOM 0 HE2 LYS A 64 20.361 17.215 -20.984 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.783 18.338 -19.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.232 17.846 -19.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.425 17.608 -18.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.852 16.274 -19.192 1.00 0.00 H new ATOM 2041 N ARG A 65 16.682 18.389 -15.794 1.00 0.00 N ATOM 2042 CA ARG A 65 15.767 19.554 -15.944 1.00 0.00 C ATOM 2043 C ARG A 65 16.608 20.825 -16.063 1.00 0.00 C ATOM 2044 O ARG A 65 17.227 21.253 -15.110 1.00 0.00 O ATOM 2045 CB ARG A 65 14.874 19.653 -14.705 1.00 0.00 C ATOM 2046 CG ARG A 65 13.735 20.648 -14.962 1.00 0.00 C ATOM 2047 CD ARG A 65 12.855 20.757 -13.710 1.00 0.00 C ATOM 2048 NE ARG A 65 11.468 21.169 -14.099 1.00 0.00 N ATOM 2049 CZ ARG A 65 11.246 22.249 -14.796 1.00 0.00 C ATOM 2050 NH1 ARG A 65 12.220 23.075 -15.062 1.00 0.00 N ATOM 2051 NH2 ARG A 65 10.033 22.526 -15.190 1.00 0.00 N ATOM 0 H ARG A 65 17.565 18.592 -15.325 1.00 0.00 H new ATOM 0 HA ARG A 65 15.147 19.433 -16.832 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.464 18.673 -14.462 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.463 19.975 -13.846 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.143 21.626 -15.218 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.137 20.320 -15.812 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.827 19.800 -13.189 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.280 21.484 -13.018 1.00 0.00 H new ATOM 0 HE ARG A 65 10.678 20.591 -13.812 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.162 22.878 -14.724 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.039 23.918 -15.608 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.264 21.899 -14.953 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.854 23.369 -15.735 1.00 0.00 H new ATOM 2065 N ARG A 66 16.642 21.424 -17.222 1.00 0.00 N ATOM 2066 CA ARG A 66 17.452 22.658 -17.405 1.00 0.00 C ATOM 2067 C ARG A 66 17.239 23.208 -18.817 1.00 0.00 C ATOM 2068 O ARG A 66 16.615 22.522 -19.610 1.00 0.00 O ATOM 2069 CB ARG A 66 18.927 22.315 -17.218 1.00 0.00 C ATOM 2070 CG ARG A 66 19.293 21.129 -18.111 1.00 0.00 C ATOM 2071 CD ARG A 66 20.752 20.753 -17.869 1.00 0.00 C ATOM 2072 NE ARG A 66 21.623 21.963 -18.055 1.00 0.00 N ATOM 2073 CZ ARG A 66 21.711 22.580 -19.201 1.00 0.00 C ATOM 2074 NH1 ARG A 66 21.110 22.105 -20.256 1.00 0.00 N ATOM 2075 NH2 ARG A 66 22.428 23.667 -19.297 1.00 0.00 N ATOM 2076 OXT ARG A 66 17.708 24.302 -19.083 1.00 0.00 O ATOM 0 H ARG A 66 16.141 21.109 -18.053 1.00 0.00 H new ATOM 0 HA ARG A 66 17.147 23.408 -16.675 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.546 23.177 -17.468 1.00 0.00 H new ATOM 0 HB3 ARG A 66 19.125 22.072 -16.174 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.645 20.280 -17.893 1.00 0.00 H new ATOM 0 HG3 ARG A 66 19.140 21.386 -19.159 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.873 20.357 -16.861 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.054 19.966 -18.559 1.00 0.00 H new ATOM 0 HE ARG A 66 22.161 22.312 -17.262 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.566 21.245 -20.189 1.00 0.00 H new ATOM 0 HH12 ARG A 66 21.184 22.594 -21.148 1.00 0.00 H new ATOM 0 HH21 ARG A 66 22.916 24.030 -18.478 1.00 0.00 H new ATOM 0 HH22 ARG A 66 22.500 24.153 -20.191 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -12.242 3.240 2.143 1.00 0.00 ZN