USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=31 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 -160:sc= -0.0059 USER MOD Set 1.2: C 125 DT C7 :methyl 150:sc= -0.0295 (180deg=-0.0295) USER MOD Single : A 1 LYS N :NH3+ 159:sc= -0.172 (180deg=-0.792) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -43:sc= -3.46! USER MOD Single : A 8 SER OG : rot 85:sc= 0.0164 USER MOD Single : A 9 ASN : amide:sc= -2.37! K(o=-2.4!,f=-1.3) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 56:sc= 0.125 USER MOD Single : A 15 THR OG1 : rot -135:sc= 0.768 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -111:sc= 0 (180deg=-0.112) USER MOD Single : A 29 ASN : amide:sc= -12.9! C(o=-13!,f=-4.3!) USER MOD Single : A 34 TYR OH : rot 0:sc= -1.41 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -141:sc= -0.713 (180deg=-1.29) USER MOD Single : A 38 HIS : no HE2:sc= -3.83! K(o=-3.8!,f=-2) USER MOD Single : A 39 GLN : amide:sc= -2.16! C(o=-2.2!,f=-5.2!) USER MOD Single : A 41 ASN : amide:sc= -1.08 K(o=-1.1,f=-7.4!) USER MOD Single : A 45 THR OG1 : rot 6:sc= 0.618! USER MOD Single : A 46 MET CE :methyl -165:sc= -0.81 (180deg=-1.45) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.15) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 55 ASN : amide:sc= -0.627 K(o=-0.63,f=-0.01) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= -0.135 (180deg=-0.807) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc=-0.00338 (180deg=-0.173) USER MOD Single : B 101 DG O5' : rot 63:sc= -0.532! USER MOD Single : B 102 DT C7 :methyl -30:sc= -1.3 (180deg=-2.23!) USER MOD Single : B 103 DT C7 :methyl -30:sc= -1.24 (180deg=-1.96!) USER MOD Single : B 109 DT C7 :methyl 150:sc= -1.74 (180deg=-1.74) USER MOD Single : B 115 DT C7 :methyl -30:sc= -0.803 (180deg=-1.09) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.507 (180deg=-0.507) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 34:sc= -0.386 USER MOD Single : C 119 DT C7 :methyl -30:sc= -0.0562 (180deg=-0.8) USER MOD Single : C 121 DT C7 :methyl 150:sc= -0.159 (180deg=-0.159) USER MOD Single : C 122 DT C7 :methyl 150:sc= -1.22 (180deg=-1.22) USER MOD Single : C 123 DT C7 :methyl -30:sc= -1.5 (180deg=-5.77!) USER MOD Single : C 127 DT C7 :methyl -30:sc= -1.23 (180deg=-1.48!) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 19.417 20.710 8.271 1.00 0.00 O ATOM 2 C5' DG B 101 20.017 20.102 9.417 1.00 0.00 C ATOM 3 C4' DG B 101 19.050 19.134 10.100 1.00 0.00 C ATOM 4 O4' DG B 101 17.980 19.886 10.716 1.00 0.00 O ATOM 5 C3' DG B 101 18.423 18.153 9.099 1.00 0.00 C ATOM 6 O3' DG B 101 18.507 16.804 9.575 1.00 0.00 O ATOM 7 C2' DG B 101 16.978 18.569 8.980 1.00 0.00 C ATOM 8 C1' DG B 101 16.736 19.649 10.026 1.00 0.00 C ATOM 9 N9 DG B 101 16.229 20.887 9.393 1.00 0.00 N ATOM 10 C8 DG B 101 16.694 21.554 8.293 1.00 0.00 C ATOM 11 N7 DG B 101 16.003 22.602 7.949 1.00 0.00 N ATOM 12 C5 DG B 101 14.989 22.640 8.905 1.00 0.00 C ATOM 13 C6 DG B 101 13.914 23.560 9.060 1.00 0.00 C ATOM 14 O6 DG B 101 13.635 24.536 8.366 1.00 0.00 O ATOM 15 N1 DG B 101 13.124 23.236 10.155 1.00 0.00 N ATOM 16 C2 DG B 101 13.335 22.165 10.997 1.00 0.00 C ATOM 17 N2 DG B 101 12.470 22.019 12.000 1.00 0.00 N ATOM 18 N3 DG B 101 14.340 21.300 10.853 1.00 0.00 N ATOM 19 C4 DG B 101 15.123 21.596 9.793 1.00 0.00 C ATOM 0 H5' DG B 101 20.322 20.874 10.123 1.00 0.00 H new ATOM 0 H5'' DG B 101 20.919 19.568 9.118 1.00 0.00 H new ATOM 0 H4' DG B 101 19.617 18.569 10.839 1.00 0.00 H new ATOM 0 H3' DG B 101 18.943 18.181 8.141 1.00 0.00 H new ATOM 0 H2' DG B 101 16.767 18.947 7.980 1.00 0.00 H new ATOM 0 H2'' DG B 101 16.317 17.718 9.145 1.00 0.00 H new ATOM 0 HO5' DG B 101 18.647 21.247 8.551 1.00 0.00 H new ATOM 0 H1' DG B 101 15.977 19.323 10.737 1.00 0.00 H new ATOM 0 H8 DG B 101 17.571 21.234 7.749 1.00 0.00 H new ATOM 0 H1 DG B 101 12.324 23.838 10.352 1.00 0.00 H new ATOM 0 H21 DG B 101 12.575 21.245 12.656 1.00 0.00 H new ATOM 0 H22 DG B 101 11.703 22.682 12.112 1.00 0.00 H new ATOM 32 P DT B 102 17.848 15.596 8.729 1.00 0.00 P ATOM 33 OP1 DT B 102 18.613 14.362 9.008 1.00 0.00 O ATOM 34 OP2 DT B 102 17.675 16.053 7.332 1.00 0.00 O ATOM 35 O5' DT B 102 16.382 15.440 9.390 1.00 0.00 O ATOM 36 C5' DT B 102 16.248 15.125 10.778 1.00 0.00 C ATOM 37 C4' DT B 102 14.781 15.019 11.219 1.00 0.00 C ATOM 38 O4' DT B 102 14.150 16.326 11.232 1.00 0.00 O ATOM 39 C3' DT B 102 13.959 14.111 10.294 1.00 0.00 C ATOM 40 O3' DT B 102 13.415 13.018 11.035 1.00 0.00 O ATOM 41 C2' DT B 102 12.835 14.973 9.768 1.00 0.00 C ATOM 42 C1' DT B 102 12.867 16.272 10.563 1.00 0.00 C ATOM 43 N1 DT B 102 12.662 17.469 9.694 1.00 0.00 N ATOM 44 C2 DT B 102 11.591 18.315 9.971 1.00 0.00 C ATOM 45 O2 DT B 102 10.816 18.104 10.901 1.00 0.00 O ATOM 46 N3 DT B 102 11.447 19.411 9.138 1.00 0.00 N ATOM 47 C4 DT B 102 12.266 19.733 8.071 1.00 0.00 C ATOM 48 O4 DT B 102 12.048 20.736 7.395 1.00 0.00 O ATOM 49 C5 DT B 102 13.350 18.801 7.857 1.00 0.00 C ATOM 50 C7 DT B 102 14.322 19.048 6.700 1.00 0.00 C ATOM 51 C6 DT B 102 13.508 17.723 8.660 1.00 0.00 C ATOM 0 H5' DT B 102 16.748 15.891 11.371 1.00 0.00 H new ATOM 0 H5'' DT B 102 16.755 14.182 10.984 1.00 0.00 H new ATOM 0 H4' DT B 102 14.798 14.589 12.221 1.00 0.00 H new ATOM 0 H3' DT B 102 14.571 13.699 9.491 1.00 0.00 H new ATOM 0 H2' DT B 102 12.963 15.168 8.703 1.00 0.00 H new ATOM 0 H2'' DT B 102 11.875 14.471 9.887 1.00 0.00 H new ATOM 0 H1' DT B 102 12.050 16.288 11.284 1.00 0.00 H new ATOM 0 H3 DT B 102 10.666 20.038 9.328 1.00 0.00 H new ATOM 0 H71 DT B 102 13.803 19.564 5.893 1.00 0.00 H new ATOM 0 H72 DT B 102 15.153 19.662 7.048 1.00 0.00 H new ATOM 0 H73 DT B 102 14.703 18.094 6.335 1.00 0.00 H new ATOM 0 H6 DT B 102 14.329 17.046 8.474 1.00 0.00 H new ATOM 64 P DT B 103 12.504 11.895 10.324 1.00 0.00 P ATOM 65 OP1 DT B 103 12.577 10.655 11.128 1.00 0.00 O ATOM 66 OP2 DT B 103 12.838 11.864 8.881 1.00 0.00 O ATOM 67 O5' DT B 103 11.028 12.519 10.489 1.00 0.00 O ATOM 68 C5' DT B 103 10.510 12.779 11.795 1.00 0.00 C ATOM 69 C4' DT B 103 9.100 13.379 11.757 1.00 0.00 C ATOM 70 O4' DT B 103 9.138 14.729 11.240 1.00 0.00 O ATOM 71 C3' DT B 103 8.136 12.566 10.882 1.00 0.00 C ATOM 72 O3' DT B 103 7.044 12.108 11.680 1.00 0.00 O ATOM 73 C2' DT B 103 7.641 13.528 9.822 1.00 0.00 C ATOM 74 C1' DT B 103 8.102 14.919 10.254 1.00 0.00 C ATOM 75 N1 DT B 103 8.604 15.723 9.105 1.00 0.00 N ATOM 76 C2 DT B 103 7.977 16.929 8.818 1.00 0.00 C ATOM 77 O2 DT B 103 7.013 17.333 9.465 1.00 0.00 O ATOM 78 N3 DT B 103 8.502 17.655 7.766 1.00 0.00 N ATOM 79 C4 DT B 103 9.580 17.288 6.981 1.00 0.00 C ATOM 80 O4 DT B 103 9.968 18.016 6.069 1.00 0.00 O ATOM 81 C5 DT B 103 10.167 16.018 7.342 1.00 0.00 C ATOM 82 C7 DT B 103 11.358 15.496 6.530 1.00 0.00 C ATOM 83 C6 DT B 103 9.669 15.293 8.373 1.00 0.00 C ATOM 0 H5' DT B 103 11.179 13.463 12.318 1.00 0.00 H new ATOM 0 H5'' DT B 103 10.492 11.851 12.367 1.00 0.00 H new ATOM 0 H4' DT B 103 8.738 13.365 12.785 1.00 0.00 H new ATOM 0 H3' DT B 103 8.615 11.693 10.438 1.00 0.00 H new ATOM 0 H2' DT B 103 8.047 13.271 8.844 1.00 0.00 H new ATOM 0 H2'' DT B 103 6.555 13.488 9.737 1.00 0.00 H new ATOM 0 H1' DT B 103 7.263 15.479 10.667 1.00 0.00 H new ATOM 0 H3 DT B 103 8.053 18.544 7.548 1.00 0.00 H new ATOM 0 H71 DT B 103 11.286 15.858 5.504 1.00 0.00 H new ATOM 0 H72 DT B 103 12.287 15.852 6.976 1.00 0.00 H new ATOM 0 H73 DT B 103 11.350 14.406 6.531 1.00 0.00 H new ATOM 0 H6 DT B 103 10.129 14.348 8.621 1.00 0.00 H new ATOM 96 P DG B 104 5.907 11.128 11.094 1.00 0.00 P ATOM 97 OP1 DG B 104 5.303 10.397 12.229 1.00 0.00 O ATOM 98 OP2 DG B 104 6.483 10.377 9.956 1.00 0.00 O ATOM 99 O5' DG B 104 4.810 12.160 10.520 1.00 0.00 O ATOM 100 C5' DG B 104 4.185 13.095 11.400 1.00 0.00 C ATOM 101 C4' DG B 104 3.173 13.994 10.682 1.00 0.00 C ATOM 102 O4' DG B 104 3.868 14.907 9.799 1.00 0.00 O ATOM 103 C3' DG B 104 2.184 13.193 9.829 1.00 0.00 C ATOM 104 O3' DG B 104 0.845 13.627 10.104 1.00 0.00 O ATOM 105 C2' DG B 104 2.538 13.509 8.398 1.00 0.00 C ATOM 106 C1' DG B 104 3.414 14.753 8.433 1.00 0.00 C ATOM 107 N9 DG B 104 4.563 14.648 7.503 1.00 0.00 N ATOM 108 C8 DG B 104 5.462 13.630 7.335 1.00 0.00 C ATOM 109 N7 DG B 104 6.372 13.841 6.431 1.00 0.00 N ATOM 110 C5 DG B 104 6.056 15.109 5.947 1.00 0.00 C ATOM 111 C6 DG B 104 6.696 15.885 4.942 1.00 0.00 C ATOM 112 O6 DG B 104 7.692 15.603 4.280 1.00 0.00 O ATOM 113 N1 DG B 104 6.060 17.105 4.757 1.00 0.00 N ATOM 114 C2 DG B 104 4.946 17.531 5.449 1.00 0.00 C ATOM 115 N2 DG B 104 4.483 18.742 5.130 1.00 0.00 N ATOM 116 N3 DG B 104 4.340 16.806 6.396 1.00 0.00 N ATOM 117 C4 DG B 104 4.947 15.609 6.592 1.00 0.00 C ATOM 0 H5' DG B 104 4.950 13.716 11.867 1.00 0.00 H new ATOM 0 H5'' DG B 104 3.681 12.554 12.201 1.00 0.00 H new ATOM 0 H4' DG B 104 2.623 14.526 11.458 1.00 0.00 H new ATOM 0 H3' DG B 104 2.239 12.124 10.036 1.00 0.00 H new ATOM 0 H2' DG B 104 3.067 12.675 7.936 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.640 13.684 7.806 1.00 0.00 H new ATOM 0 H1' DG B 104 2.843 15.623 8.107 1.00 0.00 H new ATOM 0 H8 DG B 104 5.419 12.718 7.911 1.00 0.00 H new ATOM 0 H1 DG B 104 6.447 17.735 4.055 1.00 0.00 H new ATOM 0 H21 DG B 104 3.662 19.115 5.605 1.00 0.00 H new ATOM 0 H22 DG B 104 4.951 19.294 4.411 1.00 0.00 H new ATOM 129 P DC B 105 -0.425 12.968 9.358 1.00 0.00 P ATOM 130 OP1 DC B 105 -1.610 13.153 10.225 1.00 0.00 O ATOM 131 OP2 DC B 105 -0.043 11.606 8.925 1.00 0.00 O ATOM 132 O5' DC B 105 -0.622 13.881 8.039 1.00 0.00 O ATOM 133 C5' DC B 105 -0.940 15.274 8.165 1.00 0.00 C ATOM 134 C4' DC B 105 -1.088 15.974 6.801 1.00 0.00 C ATOM 135 O4' DC B 105 0.191 16.110 6.137 1.00 0.00 O ATOM 136 C3' DC B 105 -2.025 15.200 5.865 1.00 0.00 C ATOM 137 O3' DC B 105 -3.155 15.999 5.505 1.00 0.00 O ATOM 138 C2' DC B 105 -1.212 14.910 4.624 1.00 0.00 C ATOM 139 C1' DC B 105 0.094 15.675 4.761 1.00 0.00 C ATOM 140 N1 DC B 105 1.268 14.839 4.390 1.00 0.00 N ATOM 141 C2 DC B 105 2.090 15.270 3.350 1.00 0.00 C ATOM 142 O2 DC B 105 1.818 16.300 2.738 1.00 0.00 O ATOM 143 N3 DC B 105 3.187 14.527 3.042 1.00 0.00 N ATOM 144 C4 DC B 105 3.471 13.408 3.721 1.00 0.00 C ATOM 145 N4 DC B 105 4.545 12.696 3.384 1.00 0.00 N ATOM 146 C5 DC B 105 2.630 12.962 4.788 1.00 0.00 C ATOM 147 C6 DC B 105 1.544 13.705 5.079 1.00 0.00 C ATOM 0 H5' DC B 105 -0.159 15.770 8.741 1.00 0.00 H new ATOM 0 H5'' DC B 105 -1.868 15.382 8.727 1.00 0.00 H new ATOM 0 H4' DC B 105 -1.508 16.958 7.010 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.397 14.295 6.345 1.00 0.00 H new ATOM 0 H2' DC B 105 -1.024 13.841 4.527 1.00 0.00 H new ATOM 0 H2'' DC B 105 -1.750 15.222 3.729 1.00 0.00 H new ATOM 0 H1' DC B 105 0.098 16.526 4.080 1.00 0.00 H new ATOM 0 H41 DC B 105 4.771 11.842 3.894 1.00 0.00 H new ATOM 0 H42 DC B 105 5.141 13.005 2.616 1.00 0.00 H new ATOM 0 H5 DC B 105 2.857 12.062 5.341 1.00 0.00 H new ATOM 0 H6 DC B 105 0.883 13.392 5.874 1.00 0.00 H new ATOM 159 P DA B 106 -4.291 15.399 4.537 1.00 0.00 P ATOM 160 OP1 DA B 106 -5.552 16.128 4.796 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.261 13.923 4.647 1.00 0.00 O ATOM 162 O5' DA B 106 -3.778 15.798 3.062 1.00 0.00 O ATOM 163 C5' DA B 106 -3.627 17.166 2.678 1.00 0.00 C ATOM 164 C4' DA B 106 -3.128 17.290 1.233 1.00 0.00 C ATOM 165 O4' DA B 106 -1.745 16.873 1.103 1.00 0.00 O ATOM 166 C3' DA B 106 -3.977 16.430 0.293 1.00 0.00 C ATOM 167 O3' DA B 106 -4.536 17.231 -0.742 1.00 0.00 O ATOM 168 C2' DA B 106 -3.020 15.407 -0.292 1.00 0.00 C ATOM 169 C1' DA B 106 -1.612 15.870 0.067 1.00 0.00 C ATOM 170 N9 DA B 106 -0.772 14.758 0.539 1.00 0.00 N ATOM 171 C8 DA B 106 -1.012 13.928 1.569 1.00 0.00 C ATOM 172 N7 DA B 106 -0.059 13.096 1.857 1.00 0.00 N ATOM 173 C5 DA B 106 0.912 13.394 0.903 1.00 0.00 C ATOM 174 C6 DA B 106 2.182 12.863 0.641 1.00 0.00 C ATOM 175 N6 DA B 106 2.723 11.875 1.357 1.00 0.00 N ATOM 176 N1 DA B 106 2.873 13.391 -0.384 1.00 0.00 N ATOM 177 C2 DA B 106 2.348 14.381 -1.108 1.00 0.00 C ATOM 178 N3 DA B 106 1.157 14.957 -0.943 1.00 0.00 N ATOM 179 C4 DA B 106 0.486 14.409 0.090 1.00 0.00 C ATOM 0 H5' DA B 106 -2.925 17.659 3.350 1.00 0.00 H new ATOM 0 H5'' DA B 106 -4.582 17.682 2.780 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.211 18.343 0.963 1.00 0.00 H new ATOM 0 H3' DA B 106 -4.808 15.957 0.816 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.217 14.415 0.115 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.141 15.338 -1.373 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.121 16.275 -0.818 1.00 0.00 H new ATOM 0 H8 DA B 106 -1.939 13.952 2.122 1.00 0.00 H new ATOM 0 H61 DA B 106 3.652 11.525 1.123 1.00 0.00 H new ATOM 0 H62 DA B 106 2.207 11.470 2.138 1.00 0.00 H new ATOM 0 H2 DA B 106 2.955 14.758 -1.918 1.00 0.00 H new ATOM 191 P DG B 107 -5.468 16.556 -1.857 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.351 17.599 -2.427 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.047 15.313 -1.300 1.00 0.00 O ATOM 194 O5' DG B 107 -4.373 16.161 -2.954 1.00 0.00 O ATOM 195 C5' DG B 107 -3.608 17.185 -3.579 1.00 0.00 C ATOM 196 C4' DG B 107 -2.614 16.607 -4.579 1.00 0.00 C ATOM 197 O4' DG B 107 -1.541 15.902 -3.911 1.00 0.00 O ATOM 198 C3' DG B 107 -3.295 15.625 -5.539 1.00 0.00 C ATOM 199 O3' DG B 107 -3.176 16.094 -6.882 1.00 0.00 O ATOM 200 C2' DG B 107 -2.555 14.322 -5.361 1.00 0.00 C ATOM 201 C1' DG B 107 -1.292 14.655 -4.591 1.00 0.00 C ATOM 202 N9 DG B 107 -0.904 13.580 -3.645 1.00 0.00 N ATOM 203 C8 DG B 107 -1.580 13.056 -2.565 1.00 0.00 C ATOM 204 N7 DG B 107 -0.934 12.167 -1.898 1.00 0.00 N ATOM 205 C5 DG B 107 0.273 12.067 -2.566 1.00 0.00 C ATOM 206 C6 DG B 107 1.381 11.242 -2.282 1.00 0.00 C ATOM 207 O6 DG B 107 1.511 10.463 -1.348 1.00 0.00 O ATOM 208 N1 DG B 107 2.405 11.423 -3.199 1.00 0.00 N ATOM 209 C2 DG B 107 2.370 12.303 -4.260 1.00 0.00 C ATOM 210 N2 DG B 107 3.455 12.329 -5.040 1.00 0.00 N ATOM 211 N3 DG B 107 1.320 13.094 -4.529 1.00 0.00 N ATOM 212 C4 DG B 107 0.309 12.920 -3.640 1.00 0.00 C ATOM 0 H5' DG B 107 -3.072 17.755 -2.820 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.276 17.880 -4.088 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.212 17.454 -5.135 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.360 15.514 -5.333 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.164 13.600 -4.817 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.316 13.875 -6.326 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.447 14.745 -5.274 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.579 13.369 -2.298 1.00 0.00 H new ATOM 0 H1 DG B 107 3.249 10.862 -3.080 1.00 0.00 H new ATOM 0 H21 DG B 107 3.492 12.959 -5.842 1.00 0.00 H new ATOM 0 H22 DG B 107 4.246 11.719 -4.834 1.00 0.00 H new ATOM 224 P DA B 108 -3.798 15.267 -8.114 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.275 16.234 -9.126 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.729 14.256 -7.564 1.00 0.00 O ATOM 227 O5' DA B 108 -2.520 14.494 -8.722 1.00 0.00 O ATOM 228 C5' DA B 108 -1.411 15.254 -9.208 1.00 0.00 C ATOM 229 C4' DA B 108 -0.277 14.379 -9.756 1.00 0.00 C ATOM 230 O4' DA B 108 0.410 13.678 -8.690 1.00 0.00 O ATOM 231 C3' DA B 108 -0.792 13.335 -10.749 1.00 0.00 C ATOM 232 O3' DA B 108 -0.032 13.426 -11.958 1.00 0.00 O ATOM 233 C2' DA B 108 -0.565 11.998 -10.078 1.00 0.00 C ATOM 234 C1' DA B 108 0.413 12.252 -8.937 1.00 0.00 C ATOM 235 N9 DA B 108 0.042 11.520 -7.707 1.00 0.00 N ATOM 236 C8 DA B 108 -1.132 11.557 -7.010 1.00 0.00 C ATOM 237 N7 DA B 108 -1.131 10.907 -5.890 1.00 0.00 N ATOM 238 C5 DA B 108 0.155 10.381 -5.832 1.00 0.00 C ATOM 239 C6 DA B 108 0.801 9.589 -4.884 1.00 0.00 C ATOM 240 N6 DA B 108 0.242 9.244 -3.737 1.00 0.00 N ATOM 241 N1 DA B 108 2.067 9.229 -5.128 1.00 0.00 N ATOM 242 C2 DA B 108 2.677 9.630 -6.235 1.00 0.00 C ATOM 243 N3 DA B 108 2.163 10.396 -7.204 1.00 0.00 N ATOM 244 C4 DA B 108 0.879 10.737 -6.932 1.00 0.00 C ATOM 0 H5' DA B 108 -1.024 15.877 -8.402 1.00 0.00 H new ATOM 0 H5'' DA B 108 -1.755 15.927 -9.994 1.00 0.00 H new ATOM 0 H4' DA B 108 0.409 15.058 -10.262 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.842 13.477 -11.004 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.502 11.587 -9.702 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.159 11.273 -10.784 1.00 0.00 H new ATOM 0 H1' DA B 108 1.403 11.894 -9.218 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.000 12.091 -7.368 1.00 0.00 H new ATOM 0 H61 DA B 108 0.755 8.662 -3.074 1.00 0.00 H new ATOM 0 H62 DA B 108 -0.702 9.559 -3.515 1.00 0.00 H new ATOM 0 H2 DA B 108 3.698 9.303 -6.369 1.00 0.00 H new ATOM 256 P DT B 109 -0.312 12.465 -13.219 1.00 0.00 P ATOM 257 OP1 DT B 109 -0.042 13.239 -14.452 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.627 11.816 -13.027 1.00 0.00 O ATOM 259 O5' DT B 109 0.836 11.349 -13.064 1.00 0.00 O ATOM 260 C5' DT B 109 2.208 11.744 -13.089 1.00 0.00 C ATOM 261 C4' DT B 109 3.157 10.558 -12.911 1.00 0.00 C ATOM 262 O4' DT B 109 3.071 10.058 -11.555 1.00 0.00 O ATOM 263 C3' DT B 109 2.833 9.399 -13.865 1.00 0.00 C ATOM 264 O3' DT B 109 3.949 9.125 -14.709 1.00 0.00 O ATOM 265 C2' DT B 109 2.580 8.200 -12.979 1.00 0.00 C ATOM 266 C1' DT B 109 2.919 8.624 -11.553 1.00 0.00 C ATOM 267 N1 DT B 109 1.859 8.201 -10.596 1.00 0.00 N ATOM 268 C2 DT B 109 2.207 7.355 -9.551 1.00 0.00 C ATOM 269 O2 DT B 109 3.356 6.943 -9.399 1.00 0.00 O ATOM 270 N3 DT B 109 1.188 7.010 -8.683 1.00 0.00 N ATOM 271 C4 DT B 109 -0.127 7.431 -8.763 1.00 0.00 C ATOM 272 O4 DT B 109 -0.951 7.069 -7.932 1.00 0.00 O ATOM 273 C5 DT B 109 -0.399 8.307 -9.880 1.00 0.00 C ATOM 274 C7 DT B 109 -1.826 8.842 -10.070 1.00 0.00 C ATOM 275 C6 DT B 109 0.584 8.653 -10.744 1.00 0.00 C ATOM 0 H5' DT B 109 2.388 12.473 -12.299 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.424 12.240 -14.035 1.00 0.00 H new ATOM 0 H4' DT B 109 4.159 10.923 -13.135 1.00 0.00 H new ATOM 0 H3' DT B 109 1.980 9.637 -14.500 1.00 0.00 H new ATOM 0 H2' DT B 109 1.541 7.880 -13.050 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.196 7.355 -13.287 1.00 0.00 H new ATOM 0 H1' DT B 109 3.841 8.143 -11.226 1.00 0.00 H new ATOM 0 H3 DT B 109 1.428 6.387 -7.912 1.00 0.00 H new ATOM 0 H71 DT B 109 -1.787 9.821 -10.548 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.392 8.154 -10.698 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.313 8.931 -9.099 1.00 0.00 H new ATOM 0 H6 DT B 109 0.350 9.305 -11.573 1.00 0.00 H new ATOM 288 P DA B 110 3.881 7.974 -15.832 1.00 0.00 P ATOM 289 OP1 DA B 110 4.914 8.255 -16.854 1.00 0.00 O ATOM 290 OP2 DA B 110 2.468 7.801 -16.236 1.00 0.00 O ATOM 291 O5' DA B 110 4.330 6.673 -15.001 1.00 0.00 O ATOM 292 C5' DA B 110 5.610 6.628 -14.380 1.00 0.00 C ATOM 293 C4' DA B 110 5.830 5.320 -13.617 1.00 0.00 C ATOM 294 O4' DA B 110 4.847 5.206 -12.548 1.00 0.00 O ATOM 295 C3' DA B 110 5.666 4.089 -14.513 1.00 0.00 C ATOM 296 O3' DA B 110 6.769 3.204 -14.308 1.00 0.00 O ATOM 297 C2' DA B 110 4.385 3.424 -14.082 1.00 0.00 C ATOM 298 C1' DA B 110 3.998 4.046 -12.754 1.00 0.00 C ATOM 299 N9 DA B 110 2.559 4.407 -12.735 1.00 0.00 N ATOM 300 C8 DA B 110 1.846 5.168 -13.617 1.00 0.00 C ATOM 301 N7 DA B 110 0.587 5.315 -13.327 1.00 0.00 N ATOM 302 C5 DA B 110 0.446 4.587 -12.148 1.00 0.00 C ATOM 303 C6 DA B 110 -0.653 4.336 -11.314 1.00 0.00 C ATOM 304 N6 DA B 110 -1.871 4.820 -11.549 1.00 0.00 N ATOM 305 N1 DA B 110 -0.447 3.570 -10.227 1.00 0.00 N ATOM 306 C2 DA B 110 0.768 3.081 -9.974 1.00 0.00 C ATOM 307 N3 DA B 110 1.874 3.260 -10.696 1.00 0.00 N ATOM 308 C4 DA B 110 1.638 4.030 -11.778 1.00 0.00 C ATOM 0 H5' DA B 110 5.710 7.469 -13.694 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.385 6.741 -15.138 1.00 0.00 H new ATOM 0 H4' DA B 110 6.849 5.350 -13.232 1.00 0.00 H new ATOM 0 H3' DA B 110 5.636 4.356 -15.569 1.00 0.00 H new ATOM 0 H2' DA B 110 3.601 3.576 -14.824 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.523 2.348 -13.980 1.00 0.00 H new ATOM 0 H1' DA B 110 4.145 3.334 -11.942 1.00 0.00 H new ATOM 0 H8 DA B 110 2.295 5.615 -14.492 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.637 4.607 -10.910 1.00 0.00 H new ATOM 0 H62 DA B 110 -2.038 5.404 -12.368 1.00 0.00 H new ATOM 0 H2 DA B 110 0.866 2.473 -9.087 1.00 0.00 H new ATOM 320 P DA B 111 6.891 1.814 -15.104 1.00 0.00 P ATOM 321 OP1 DA B 111 8.321 1.445 -15.191 1.00 0.00 O ATOM 322 OP2 DA B 111 6.069 1.906 -16.333 1.00 0.00 O ATOM 323 O5' DA B 111 6.163 0.808 -14.079 1.00 0.00 O ATOM 324 C5' DA B 111 6.698 0.660 -12.762 1.00 0.00 C ATOM 325 C4' DA B 111 5.879 -0.293 -11.888 1.00 0.00 C ATOM 326 O4' DA B 111 4.593 0.288 -11.569 1.00 0.00 O ATOM 327 C3' DA B 111 5.636 -1.648 -12.558 1.00 0.00 C ATOM 328 O3' DA B 111 6.199 -2.681 -11.753 1.00 0.00 O ATOM 329 C2' DA B 111 4.132 -1.808 -12.615 1.00 0.00 C ATOM 330 C1' DA B 111 3.539 -0.671 -11.791 1.00 0.00 C ATOM 331 N9 DA B 111 2.397 -0.056 -12.493 1.00 0.00 N ATOM 332 C8 DA B 111 2.361 0.521 -13.724 1.00 0.00 C ATOM 333 N7 DA B 111 1.199 0.969 -14.092 1.00 0.00 N ATOM 334 C5 DA B 111 0.386 0.660 -13.006 1.00 0.00 C ATOM 335 C6 DA B 111 -0.974 0.866 -12.756 1.00 0.00 C ATOM 336 N6 DA B 111 -1.791 1.462 -13.623 1.00 0.00 N ATOM 337 N1 DA B 111 -1.458 0.434 -11.579 1.00 0.00 N ATOM 338 C2 DA B 111 -0.654 -0.165 -10.702 1.00 0.00 C ATOM 339 N3 DA B 111 0.647 -0.410 -10.839 1.00 0.00 N ATOM 340 C4 DA B 111 1.105 0.035 -12.028 1.00 0.00 C ATOM 0 H5' DA B 111 6.742 1.637 -12.282 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.722 0.292 -12.831 1.00 0.00 H new ATOM 0 H4' DA B 111 6.467 -0.453 -10.984 1.00 0.00 H new ATOM 0 H3' DA B 111 6.088 -1.704 -13.548 1.00 0.00 H new ATOM 0 H2' DA B 111 3.777 -1.766 -13.645 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.830 -2.775 -12.213 1.00 0.00 H new ATOM 0 H1' DA B 111 3.158 -1.042 -10.839 1.00 0.00 H new ATOM 0 H8 DA B 111 3.237 0.601 -14.351 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.776 1.588 -13.391 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.431 1.793 -14.518 1.00 0.00 H new ATOM 0 H2 DA B 111 -1.108 -0.488 -9.777 1.00 0.00 H new ATOM 352 P DA B 112 6.135 -4.225 -12.194 1.00 0.00 P ATOM 353 OP1 DA B 112 7.240 -4.948 -11.525 1.00 0.00 O ATOM 354 OP2 DA B 112 5.993 -4.283 -13.665 1.00 0.00 O ATOM 355 O5' DA B 112 4.750 -4.694 -11.532 1.00 0.00 O ATOM 356 C5' DA B 112 4.568 -4.611 -10.122 1.00 0.00 C ATOM 357 C4' DA B 112 3.179 -5.087 -9.707 1.00 0.00 C ATOM 358 O4' DA B 112 2.179 -4.166 -10.221 1.00 0.00 O ATOM 359 C3' DA B 112 2.852 -6.475 -10.271 1.00 0.00 C ATOM 360 O3' DA B 112 2.347 -7.319 -9.224 1.00 0.00 O ATOM 361 C2' DA B 112 1.805 -6.250 -11.325 1.00 0.00 C ATOM 362 C1' DA B 112 1.238 -4.860 -11.075 1.00 0.00 C ATOM 363 N9 DA B 112 0.999 -4.133 -12.348 1.00 0.00 N ATOM 364 C8 DA B 112 1.815 -3.977 -13.437 1.00 0.00 C ATOM 365 N7 DA B 112 1.296 -3.311 -14.425 1.00 0.00 N ATOM 366 C5 DA B 112 0.022 -2.998 -13.958 1.00 0.00 C ATOM 367 C6 DA B 112 -1.050 -2.297 -14.526 1.00 0.00 C ATOM 368 N6 DA B 112 -1.013 -1.771 -15.751 1.00 0.00 N ATOM 369 N1 DA B 112 -2.165 -2.171 -13.787 1.00 0.00 N ATOM 370 C2 DA B 112 -2.226 -2.701 -12.565 1.00 0.00 C ATOM 371 N3 DA B 112 -1.273 -3.380 -11.938 1.00 0.00 N ATOM 372 C4 DA B 112 -0.167 -3.492 -12.698 1.00 0.00 C ATOM 0 H5' DA B 112 4.713 -3.581 -9.796 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.325 -5.214 -9.621 1.00 0.00 H new ATOM 0 H4' DA B 112 3.169 -5.131 -8.618 1.00 0.00 H new ATOM 0 H3' DA B 112 3.731 -6.967 -10.687 1.00 0.00 H new ATOM 0 H2' DA B 112 2.237 -6.320 -12.323 1.00 0.00 H new ATOM 0 H2'' DA B 112 1.022 -7.006 -11.263 1.00 0.00 H new ATOM 0 H1' DA B 112 0.265 -4.923 -10.588 1.00 0.00 H new ATOM 0 H8 DA B 112 2.817 -4.378 -13.472 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.823 -1.270 -16.116 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.175 -1.870 -16.323 1.00 0.00 H new ATOM 0 H2 DA B 112 -3.152 -2.563 -12.026 1.00 0.00 H new ATOM 384 P DC B 113 1.913 -8.846 -9.509 1.00 0.00 P ATOM 385 OP1 DC B 113 2.245 -9.647 -8.309 1.00 0.00 O ATOM 386 OP2 DC B 113 2.456 -9.240 -10.829 1.00 0.00 O ATOM 387 O5' DC B 113 0.302 -8.767 -9.631 1.00 0.00 O ATOM 388 C5' DC B 113 -0.465 -8.293 -8.518 1.00 0.00 C ATOM 389 C4' DC B 113 -1.978 -8.276 -8.788 1.00 0.00 C ATOM 390 O4' DC B 113 -2.323 -7.234 -9.731 1.00 0.00 O ATOM 391 C3' DC B 113 -2.475 -9.614 -9.351 1.00 0.00 C ATOM 392 O3' DC B 113 -3.544 -10.135 -8.556 1.00 0.00 O ATOM 393 C2' DC B 113 -3.013 -9.296 -10.726 1.00 0.00 C ATOM 394 C1' DC B 113 -3.073 -7.781 -10.839 1.00 0.00 C ATOM 395 N1 DC B 113 -2.523 -7.295 -12.129 1.00 0.00 N ATOM 396 C2 DC B 113 -3.338 -6.525 -12.956 1.00 0.00 C ATOM 397 O2 DC B 113 -4.510 -6.315 -12.644 1.00 0.00 O ATOM 398 N3 DC B 113 -2.805 -6.015 -14.096 1.00 0.00 N ATOM 399 C4 DC B 113 -1.526 -6.245 -14.418 1.00 0.00 C ATOM 400 N4 DC B 113 -1.047 -5.735 -15.550 1.00 0.00 N ATOM 401 C5 DC B 113 -0.684 -7.035 -13.572 1.00 0.00 C ATOM 402 C6 DC B 113 -1.230 -7.543 -12.450 1.00 0.00 C ATOM 0 H5' DC B 113 -0.137 -7.286 -8.262 1.00 0.00 H new ATOM 0 H5'' DC B 113 -0.264 -8.924 -7.652 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.459 -8.090 -7.828 1.00 0.00 H new ATOM 0 H3' DC B 113 -1.673 -10.353 -9.364 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.369 -9.715 -11.499 1.00 0.00 H new ATOM 0 H2'' DC B 113 -4.002 -9.733 -10.864 1.00 0.00 H new ATOM 0 H1' DC B 113 -4.113 -7.456 -10.807 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.075 -5.899 -15.812 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.652 -5.180 -16.155 1.00 0.00 H new ATOM 0 H5 DC B 113 0.350 -7.217 -13.824 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.628 -8.157 -11.797 1.00 0.00 H new ATOM 414 P DA B 114 -4.230 -11.540 -8.947 1.00 0.00 P ATOM 415 OP1 DA B 114 -4.833 -12.113 -7.722 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.252 -12.331 -9.726 1.00 0.00 O ATOM 417 O5' DA B 114 -5.430 -11.101 -9.939 1.00 0.00 O ATOM 418 C5' DA B 114 -6.489 -10.252 -9.490 1.00 0.00 C ATOM 419 C4' DA B 114 -7.514 -9.968 -10.603 1.00 0.00 C ATOM 420 O4' DA B 114 -6.952 -9.101 -11.623 1.00 0.00 O ATOM 421 C3' DA B 114 -7.984 -11.259 -11.290 1.00 0.00 C ATOM 422 O3' DA B 114 -9.412 -11.349 -11.260 1.00 0.00 O ATOM 423 C2' DA B 114 -7.504 -11.150 -12.719 1.00 0.00 C ATOM 424 C1' DA B 114 -7.098 -9.701 -12.933 1.00 0.00 C ATOM 425 N9 DA B 114 -5.851 -9.593 -13.708 1.00 0.00 N ATOM 426 C8 DA B 114 -4.639 -10.118 -13.422 1.00 0.00 C ATOM 427 N7 DA B 114 -3.682 -9.794 -14.236 1.00 0.00 N ATOM 428 C5 DA B 114 -4.324 -8.977 -15.163 1.00 0.00 C ATOM 429 C6 DA B 114 -3.871 -8.300 -16.299 1.00 0.00 C ATOM 430 N6 DA B 114 -2.599 -8.312 -16.692 1.00 0.00 N ATOM 431 N1 DA B 114 -4.772 -7.589 -16.995 1.00 0.00 N ATOM 432 C2 DA B 114 -6.044 -7.541 -16.598 1.00 0.00 C ATOM 433 N3 DA B 114 -6.577 -8.140 -15.533 1.00 0.00 N ATOM 434 C4 DA B 114 -5.649 -8.850 -14.854 1.00 0.00 C ATOM 0 H5' DA B 114 -6.072 -9.310 -9.133 1.00 0.00 H new ATOM 0 H5'' DA B 114 -6.993 -10.719 -8.644 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.361 -9.483 -10.119 1.00 0.00 H new ATOM 0 H3' DA B 114 -7.593 -12.146 -10.792 1.00 0.00 H new ATOM 0 H2' DA B 114 -6.661 -11.818 -12.896 1.00 0.00 H new ATOM 0 H2'' DA B 114 -8.292 -11.438 -13.415 1.00 0.00 H new ATOM 0 H1' DA B 114 -7.859 -9.180 -13.513 1.00 0.00 H new ATOM 0 H8 DA B 114 -4.478 -10.765 -12.572 1.00 0.00 H new ATOM 0 H61 DA B 114 -2.319 -7.801 -17.529 1.00 0.00 H new ATOM 0 H62 DA B 114 -1.904 -8.832 -16.156 1.00 0.00 H new ATOM 0 H2 DA B 114 -6.716 -6.953 -17.206 1.00 0.00 H new ATOM 446 P DT B 115 -10.177 -12.608 -11.914 1.00 0.00 P ATOM 447 OP1 DT B 115 -11.480 -12.763 -11.228 1.00 0.00 O ATOM 448 OP2 DT B 115 -9.233 -13.746 -11.971 1.00 0.00 O ATOM 449 O5' DT B 115 -10.461 -12.112 -13.424 1.00 0.00 O ATOM 450 C5' DT B 115 -11.252 -10.940 -13.649 1.00 0.00 C ATOM 451 C4' DT B 115 -11.260 -10.500 -15.119 1.00 0.00 C ATOM 452 O4' DT B 115 -9.975 -9.958 -15.509 1.00 0.00 O ATOM 453 C3' DT B 115 -11.592 -11.656 -16.074 1.00 0.00 C ATOM 454 O3' DT B 115 -12.879 -11.467 -16.660 1.00 0.00 O ATOM 455 C2' DT B 115 -10.527 -11.609 -17.152 1.00 0.00 C ATOM 456 C1' DT B 115 -9.639 -10.408 -16.839 1.00 0.00 C ATOM 457 N1 DT B 115 -8.197 -10.761 -16.942 1.00 0.00 N ATOM 458 C2 DT B 115 -7.410 -10.077 -17.859 1.00 0.00 C ATOM 459 O2 DT B 115 -7.871 -9.202 -18.591 1.00 0.00 O ATOM 460 N3 DT B 115 -6.076 -10.431 -17.899 1.00 0.00 N ATOM 461 C4 DT B 115 -5.463 -11.392 -17.116 1.00 0.00 C ATOM 462 O4 DT B 115 -4.264 -11.632 -17.241 1.00 0.00 O ATOM 463 C5 DT B 115 -6.355 -12.051 -16.191 1.00 0.00 C ATOM 464 C7 DT B 115 -5.791 -13.123 -15.252 1.00 0.00 C ATOM 465 C6 DT B 115 -7.665 -11.721 -16.136 1.00 0.00 C ATOM 0 H5' DT B 115 -10.870 -10.126 -13.033 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.275 -11.131 -13.326 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.035 -9.738 -15.196 1.00 0.00 H new ATOM 0 H3' DT B 115 -11.609 -12.613 -15.552 1.00 0.00 H new ATOM 0 H2' DT B 115 -9.944 -12.530 -17.160 1.00 0.00 H new ATOM 0 H2'' DT B 115 -10.979 -11.509 -18.139 1.00 0.00 H new ATOM 0 H1' DT B 115 -9.812 -9.611 -17.562 1.00 0.00 H new ATOM 0 H3 DT B 115 -5.487 -9.937 -18.569 1.00 0.00 H new ATOM 0 H71 DT B 115 -4.947 -13.618 -15.731 1.00 0.00 H new ATOM 0 H72 DT B 115 -5.459 -12.656 -14.324 1.00 0.00 H new ATOM 0 H73 DT B 115 -6.565 -13.858 -15.032 1.00 0.00 H new ATOM 0 H6 DT B 115 -8.307 -12.233 -15.434 1.00 0.00 H new ATOM 478 P DT B 116 -13.581 -12.638 -17.512 1.00 0.00 P ATOM 479 OP1 DT B 116 -15.043 -12.409 -17.509 1.00 0.00 O ATOM 480 OP2 DT B 116 -13.038 -13.935 -17.051 1.00 0.00 O ATOM 481 O5' DT B 116 -13.033 -12.368 -19.000 1.00 0.00 O ATOM 482 C5' DT B 116 -13.293 -11.130 -19.660 1.00 0.00 C ATOM 483 C4' DT B 116 -12.476 -11.010 -20.948 1.00 0.00 C ATOM 484 O4' DT B 116 -11.063 -10.944 -20.640 1.00 0.00 O ATOM 485 C3' DT B 116 -12.701 -12.210 -21.881 1.00 0.00 C ATOM 486 O3' DT B 116 -13.379 -11.803 -23.074 1.00 0.00 O ATOM 487 C2' DT B 116 -11.322 -12.741 -22.208 1.00 0.00 C ATOM 488 C1' DT B 116 -10.320 -11.847 -21.485 1.00 0.00 C ATOM 489 N1 DT B 116 -9.360 -12.667 -20.693 1.00 0.00 N ATOM 490 C2 DT B 116 -8.019 -12.629 -21.051 1.00 0.00 C ATOM 491 O2 DT B 116 -7.610 -11.927 -21.972 1.00 0.00 O ATOM 492 N3 DT B 116 -7.168 -13.426 -20.312 1.00 0.00 N ATOM 493 C4 DT B 116 -7.527 -14.247 -19.259 1.00 0.00 C ATOM 494 O4 DT B 116 -6.681 -14.920 -18.673 1.00 0.00 O ATOM 495 C5 DT B 116 -8.940 -14.225 -18.949 1.00 0.00 C ATOM 496 C7 DT B 116 -9.462 -15.095 -17.801 1.00 0.00 C ATOM 497 C6 DT B 116 -9.796 -13.451 -19.662 1.00 0.00 C ATOM 0 H5' DT B 116 -13.051 -10.302 -18.994 1.00 0.00 H new ATOM 0 H5'' DT B 116 -14.355 -11.054 -19.891 1.00 0.00 H new ATOM 0 H4' DT B 116 -12.807 -10.100 -21.448 1.00 0.00 H new ATOM 0 H3' DT B 116 -13.323 -12.971 -21.410 1.00 0.00 H new ATOM 0 H2' DT B 116 -11.220 -13.777 -21.883 1.00 0.00 H new ATOM 0 H2'' DT B 116 -11.147 -12.725 -23.284 1.00 0.00 H new ATOM 0 HO3' DT B 116 -13.512 -12.580 -23.656 1.00 0.00 H new ATOM 0 H1' DT B 116 -9.731 -11.277 -22.203 1.00 0.00 H new ATOM 0 H3 DT B 116 -6.181 -13.407 -20.567 1.00 0.00 H new ATOM 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0.00 C ATOM 561 N3 DA C 118 -4.388 -7.868 -21.720 1.00 0.00 N ATOM 562 C4 DA C 118 -3.046 -8.014 -21.722 1.00 0.00 C ATOM 0 H5' DA C 118 0.091 -8.694 -26.142 1.00 0.00 H new ATOM 0 H5'' DA C 118 0.736 -7.188 -26.764 1.00 0.00 H new ATOM 0 H4' DA C 118 -1.624 -7.090 -26.998 1.00 0.00 H new ATOM 0 H3' DA C 118 -0.246 -5.139 -25.553 1.00 0.00 H new ATOM 0 H2' DA C 118 -0.990 -5.501 -23.373 1.00 0.00 H new ATOM 0 H2'' DA C 118 -2.472 -4.755 -23.936 1.00 0.00 H new ATOM 0 H1' DA C 118 -3.595 -6.758 -23.946 1.00 0.00 H new ATOM 0 H8 DA C 118 -0.049 -7.690 -22.795 1.00 0.00 H new ATOM 0 H61 DA C 118 -2.897 -10.238 -17.933 1.00 0.00 H new ATOM 0 H62 DA C 118 -1.339 -9.970 -18.722 1.00 0.00 H new ATOM 0 H2 DA C 118 -6.009 -8.358 -20.557 1.00 0.00 H new ATOM 574 P DT C 119 -2.259 -3.186 -26.067 1.00 0.00 P ATOM 575 OP1 DT C 119 -2.666 -2.537 -27.333 1.00 0.00 O ATOM 576 OP2 DT C 119 -1.060 -2.709 -25.341 1.00 0.00 O ATOM 577 O5' DT C 119 -3.515 -3.152 -25.053 1.00 0.00 O ATOM 578 C5' DT C 119 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0.00 C ATOM 614 O3' DG C 120 -11.246 -0.643 -18.975 1.00 0.00 O ATOM 615 C2' DG C 120 -8.869 -0.640 -18.654 1.00 0.00 C ATOM 616 C1' DG C 120 -8.406 -2.084 -18.621 1.00 0.00 C ATOM 617 N9 DG C 120 -6.948 -2.201 -18.395 1.00 0.00 N ATOM 618 C8 DG C 120 -5.925 -1.602 -19.061 1.00 0.00 C ATOM 619 N7 DG C 120 -4.733 -1.937 -18.673 1.00 0.00 N ATOM 620 C5 DG C 120 -4.975 -2.837 -17.642 1.00 0.00 C ATOM 621 C6 DG C 120 -4.055 -3.543 -16.820 1.00 0.00 C ATOM 622 O6 DG C 120 -2.828 -3.521 -16.857 1.00 0.00 O ATOM 623 N1 DG C 120 -4.708 -4.343 -15.893 1.00 0.00 N ATOM 624 C2 DG C 120 -6.078 -4.457 -15.770 1.00 0.00 C ATOM 625 N2 DG C 120 -6.517 -5.262 -14.798 1.00 0.00 N ATOM 626 N3 DG C 120 -6.950 -3.797 -16.546 1.00 0.00 N ATOM 627 C4 DG C 120 -6.329 -3.007 -17.457 1.00 0.00 C ATOM 0 H5' DG C 120 -9.169 -2.419 -22.489 1.00 0.00 H new ATOM 0 H5'' DG C 120 -10.277 -1.061 -22.474 1.00 0.00 H new ATOM 0 H4' DG C 120 -10.772 -2.370 -20.591 1.00 0.00 H new ATOM 0 H3' DG C 120 -9.973 0.321 -20.249 1.00 0.00 H new ATOM 0 H2' DG C 120 -8.056 0.025 -18.947 1.00 0.00 H new ATOM 0 H2'' DG C 120 -9.208 -0.315 -17.670 1.00 0.00 H new ATOM 0 H1' DG C 120 -8.862 -2.612 -17.784 1.00 0.00 H new ATOM 0 H8 DG C 120 -6.093 -0.895 -19.860 1.00 0.00 H new ATOM 0 H1 DG C 120 -4.131 -4.889 -15.253 1.00 0.00 H new ATOM 0 H21 DG C 120 -7.519 -5.389 -14.655 1.00 0.00 H new ATOM 0 H22 DG C 120 -5.850 -5.749 -14.199 1.00 0.00 H new ATOM 639 P DT C 121 -11.695 0.543 -17.991 1.00 0.00 P ATOM 640 OP1 DT C 121 -13.173 0.550 -17.904 1.00 0.00 O ATOM 641 OP2 DT C 121 -10.967 1.771 -18.384 1.00 0.00 O ATOM 642 O5' DT C 121 -11.103 0.033 -16.581 1.00 0.00 O ATOM 643 C5' DT C 121 -11.545 -1.218 -16.042 1.00 0.00 C ATOM 644 C4' DT C 121 -10.739 -1.652 -14.810 1.00 0.00 C ATOM 645 O4' DT C 121 -9.393 -2.054 -15.164 1.00 0.00 O ATOM 646 C3' DT C 121 -10.632 -0.529 -13.767 1.00 0.00 C ATOM 647 O3' DT C 121 -11.401 -0.850 -12.605 1.00 0.00 O ATOM 648 C2' DT C 121 -9.157 -0.441 -13.426 1.00 0.00 C ATOM 649 C1' DT C 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ATOM 0 H71 DT C 121 -6.639 1.234 -17.742 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.582 2.157 -16.647 1.00 0.00 H new ATOM 0 H73 DT C 121 -4.874 1.023 -17.822 1.00 0.00 H new ATOM 0 H6 DT C 121 -7.888 0.270 -15.969 1.00 0.00 H new ATOM 671 P DT C 122 -11.557 0.203 -11.395 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.832 -0.092 -10.708 1.00 0.00 O ATOM 673 OP2 DT C 122 -11.307 1.561 -11.930 1.00 0.00 O ATOM 674 O5' DT C 122 -10.352 -0.167 -10.388 1.00 0.00 O ATOM 675 C5' DT C 122 -10.288 -1.471 -9.805 1.00 0.00 C ATOM 676 C4' DT C 122 -9.079 -1.646 -8.876 1.00 0.00 C ATOM 677 O4' DT C 122 -7.846 -1.676 -9.643 1.00 0.00 O ATOM 678 C3' DT C 122 -8.966 -0.510 -7.847 1.00 0.00 C ATOM 679 O3' DT C 122 -9.094 -1.024 -6.522 1.00 0.00 O ATOM 680 C2' DT C 122 -7.589 0.078 -8.026 1.00 0.00 C ATOM 681 C1' DT C 122 -6.875 -0.777 -9.062 1.00 0.00 C ATOM 682 N1 DT C 122 -6.232 0.075 -10.105 1.00 0.00 N ATOM 683 C2 DT C 122 -4.854 -0.008 -10.268 1.00 0.00 C ATOM 684 O2 DT C 122 -4.158 -0.744 -9.572 1.00 0.00 O ATOM 685 N3 DT C 122 -4.307 0.794 -11.251 1.00 0.00 N ATOM 686 C4 DT C 122 -5.001 1.660 -12.079 1.00 0.00 C ATOM 687 O4 DT C 122 -4.407 2.335 -12.916 1.00 0.00 O ATOM 688 C5 DT C 122 -6.429 1.681 -11.847 1.00 0.00 C ATOM 689 C7 DT C 122 -7.305 2.596 -12.711 1.00 0.00 C ATOM 690 C6 DT C 122 -6.990 0.907 -10.889 1.00 0.00 C ATOM 0 H5' DT C 122 -10.242 -2.217 -10.598 1.00 0.00 H new ATOM 0 H5'' DT C 122 -11.203 -1.659 -9.243 1.00 0.00 H new ATOM 0 H4' DT C 122 -9.232 -2.589 -8.351 1.00 0.00 H new ATOM 0 H3' DT C 122 -9.751 0.232 -7.994 1.00 0.00 H new ATOM 0 H2' DT C 122 -7.652 1.114 -8.358 1.00 0.00 H new ATOM 0 H2'' DT C 122 -7.043 0.078 -7.082 1.00 0.00 H new ATOM 0 H1' DT C 122 -6.077 -1.351 -8.590 1.00 0.00 H new ATOM 0 H3 DT C 122 -3.296 0.743 -11.379 1.00 0.00 H new ATOM 0 H71 DT C 122 -8.296 2.156 -12.818 1.00 0.00 H new ATOM 0 H72 DT C 122 -7.391 3.573 -12.235 1.00 0.00 H new ATOM 0 H73 DT C 122 -6.851 2.711 -13.695 1.00 0.00 H new ATOM 0 H6 DT C 122 -8.059 0.945 -10.738 1.00 0.00 H new ATOM 703 P DT C 123 -9.013 -0.049 -5.242 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.728 -0.691 -4.117 1.00 0.00 O ATOM 705 OP2 DT C 123 -9.381 1.319 -5.674 1.00 0.00 O ATOM 706 O5' DT C 123 -7.439 -0.071 -4.921 1.00 0.00 O ATOM 707 C5' DT C 123 -6.813 -1.314 -4.609 1.00 0.00 C ATOM 708 C4' DT C 123 -5.302 -1.182 -4.435 1.00 0.00 C ATOM 709 O4' DT C 123 -4.674 -0.721 -5.659 1.00 0.00 O ATOM 710 C3' DT C 123 -4.913 -0.200 -3.328 1.00 0.00 C ATOM 711 O3' DT C 123 -4.049 -0.899 -2.421 1.00 0.00 O ATOM 712 C2' DT C 123 -4.214 0.940 -4.024 1.00 0.00 C ATOM 713 C1' DT C 123 -3.790 0.387 -5.368 1.00 0.00 C ATOM 714 N1 DT C 123 -3.825 1.413 -6.461 1.00 0.00 N ATOM 715 C2 DT C 123 -2.642 1.658 -7.156 1.00 0.00 C ATOM 716 O2 DT C 123 -1.586 1.104 -6.859 1.00 0.00 O ATOM 717 N3 DT C 123 -2.717 2.556 -8.206 1.00 0.00 N ATOM 718 C4 DT C 123 -3.851 3.225 -8.623 1.00 0.00 C ATOM 719 O4 DT C 123 -3.806 3.999 -9.577 1.00 0.00 O ATOM 720 C5 DT C 123 -5.034 2.920 -7.851 1.00 0.00 C ATOM 721 C7 DT C 123 -6.350 3.588 -8.240 1.00 0.00 C ATOM 722 C6 DT C 123 -4.993 2.047 -6.812 1.00 0.00 C ATOM 0 H5' DT C 123 -7.023 -2.031 -5.402 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.247 -1.716 -3.693 1.00 0.00 H new ATOM 0 H4' DT C 123 -4.956 -2.180 -4.167 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.755 0.187 -2.754 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.879 1.796 -4.143 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.353 1.283 -3.450 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.750 0.064 -5.320 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.855 2.741 -8.719 1.00 0.00 H new ATOM 0 H71 DT C 123 -6.146 4.564 -8.681 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.874 2.965 -8.964 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.971 3.713 -7.353 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.894 1.847 -6.251 1.00 0.00 H new ATOM 735 P DA C 124 -3.400 -0.241 -1.104 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.443 -1.242 -0.014 1.00 0.00 O ATOM 737 OP2 DA C 124 -4.008 1.092 -0.906 1.00 0.00 O ATOM 738 O5' DA C 124 -1.856 -0.032 -1.541 1.00 0.00 O ATOM 739 C5' DA C 124 -1.095 -1.189 -1.919 1.00 0.00 C ATOM 740 C4' DA C 124 0.374 -0.890 -2.261 1.00 0.00 C ATOM 741 O4' DA C 124 0.449 -0.037 -3.433 1.00 0.00 O ATOM 742 C3' DA C 124 1.088 -0.157 -1.121 1.00 0.00 C ATOM 743 O3' DA C 124 2.403 -0.694 -0.926 1.00 0.00 O ATOM 744 C2' DA C 124 1.169 1.280 -1.563 1.00 0.00 C ATOM 745 C1' DA C 124 0.969 1.267 -3.074 1.00 0.00 C ATOM 746 N9 DA C 124 0.062 2.339 -3.516 1.00 0.00 N ATOM 747 C8 DA C 124 -1.174 2.633 -3.060 1.00 0.00 C ATOM 748 N7 DA C 124 -1.769 3.622 -3.656 1.00 0.00 N ATOM 749 C5 DA C 124 -0.830 4.024 -4.603 1.00 0.00 C ATOM 750 C6 DA C 124 -0.830 5.034 -5.571 1.00 0.00 C ATOM 751 N6 DA C 124 -1.856 5.867 -5.751 1.00 0.00 N ATOM 752 N1 DA C 124 0.269 5.155 -6.342 1.00 0.00 N ATOM 753 C2 DA C 124 1.305 4.330 -6.166 1.00 0.00 C ATOM 754 N3 DA C 124 1.404 3.343 -5.280 1.00 0.00 N ATOM 755 C4 DA C 124 0.291 3.247 -4.525 1.00 0.00 C ATOM 0 H5' DA C 124 -1.570 -1.657 -2.781 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.127 -1.914 -1.105 1.00 0.00 H new ATOM 0 H4' DA C 124 0.857 -1.851 -2.437 1.00 0.00 H new ATOM 0 H3' DA C 124 0.558 -0.263 -0.174 1.00 0.00 H new ATOM 0 H2' DA C 124 0.404 1.882 -1.073 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.133 1.715 -1.301 1.00 0.00 H new ATOM 0 H1' DA C 124 1.920 1.451 -3.574 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.637 2.083 -2.254 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.807 6.588 -6.471 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.689 5.783 -5.169 1.00 0.00 H new ATOM 0 H2 DA C 124 2.155 4.481 -6.814 1.00 0.00 H new ATOM 767 P DT C 125 3.379 -0.104 0.216 1.00 0.00 P ATOM 768 OP1 DT C 125 4.352 -1.156 0.590 1.00 0.00 O ATOM 769 OP2 DT C 125 2.539 0.532 1.256 1.00 0.00 O ATOM 770 O5' DT C 125 4.163 1.063 -0.576 1.00 0.00 O ATOM 771 C5' DT C 125 5.094 0.705 -1.601 1.00 0.00 C ATOM 772 C4' DT C 125 5.709 1.920 -2.307 1.00 0.00 C ATOM 773 O4' DT C 125 4.714 2.587 -3.127 1.00 0.00 O ATOM 774 C3' DT C 125 6.271 2.974 -1.335 1.00 0.00 C ATOM 775 O3' DT C 125 7.673 3.166 -1.568 1.00 0.00 O ATOM 776 C2' DT C 125 5.516 4.244 -1.632 1.00 0.00 C ATOM 777 C1' DT C 125 4.860 4.016 -2.981 1.00 0.00 C ATOM 778 N1 DT C 125 3.559 4.745 -3.130 1.00 0.00 N ATOM 779 C2 DT C 125 3.423 5.588 -4.230 1.00 0.00 C ATOM 780 O2 DT C 125 4.320 5.728 -5.058 1.00 0.00 O ATOM 781 N3 DT C 125 2.222 6.260 -4.343 1.00 0.00 N ATOM 782 C4 DT C 125 1.154 6.169 -3.471 1.00 0.00 C ATOM 783 O4 DT C 125 0.104 6.756 -3.701 1.00 0.00 O ATOM 784 C5 DT C 125 1.378 5.284 -2.352 1.00 0.00 C ATOM 785 C7 DT C 125 0.302 5.157 -1.274 1.00 0.00 C ATOM 786 C6 DT C 125 2.540 4.608 -2.218 1.00 0.00 C ATOM 0 H5' DT C 125 4.590 0.080 -2.339 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.892 0.104 -1.165 1.00 0.00 H new ATOM 0 H4' DT C 125 6.528 1.521 -2.905 1.00 0.00 H new ATOM 0 H3' DT C 125 6.154 2.667 -0.296 1.00 0.00 H new ATOM 0 H2' DT C 125 4.771 4.448 -0.862 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.187 5.102 -1.661 1.00 0.00 H new ATOM 0 H1' DT C 125 5.481 4.425 -3.778 1.00 0.00 H new ATOM 0 H3 DT C 125 2.113 6.881 -5.145 1.00 0.00 H new ATOM 0 H71 DT C 125 0.338 4.158 -0.840 1.00 0.00 H new ATOM 0 H72 DT C 125 0.479 5.898 -0.494 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.679 5.325 -1.718 1.00 0.00 H new ATOM 0 H6 DT C 125 2.671 3.945 -1.375 1.00 0.00 H new ATOM 799 P DC C 126 8.521 4.219 -0.691 1.00 0.00 P ATOM 800 OP1 DC C 126 9.877 3.667 -0.484 1.00 0.00 O ATOM 801 OP2 DC C 126 7.699 4.608 0.477 1.00 0.00 O ATOM 802 O5' DC C 126 8.635 5.505 -1.673 1.00 0.00 O ATOM 803 C5' DC C 126 9.321 5.373 -2.930 1.00 0.00 C ATOM 804 C4' DC C 126 9.352 6.674 -3.761 1.00 0.00 C ATOM 805 O4' DC C 126 8.045 6.990 -4.305 1.00 0.00 O ATOM 806 C3' DC C 126 9.834 7.875 -2.934 1.00 0.00 C ATOM 807 O3' DC C 126 11.073 8.380 -3.424 1.00 0.00 O ATOM 808 C2' DC C 126 8.771 8.938 -3.100 1.00 0.00 C ATOM 809 C1' DC C 126 7.674 8.350 -3.982 1.00 0.00 C ATOM 810 N1 DC C 126 6.376 8.373 -3.270 1.00 0.00 N ATOM 811 C2 DC C 126 5.307 9.078 -3.826 1.00 0.00 C ATOM 812 O2 DC C 126 5.457 9.730 -4.860 1.00 0.00 O ATOM 813 N3 DC C 126 4.117 9.048 -3.175 1.00 0.00 N ATOM 814 C4 DC C 126 3.974 8.365 -2.033 1.00 0.00 C ATOM 815 N4 DC C 126 2.790 8.339 -1.439 1.00 0.00 N ATOM 816 C5 DC C 126 5.066 7.649 -1.459 1.00 0.00 C ATOM 817 C6 DC C 126 6.239 7.679 -2.110 1.00 0.00 C ATOM 0 H5' DC C 126 8.840 4.590 -3.516 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.344 5.048 -2.743 1.00 0.00 H new ATOM 0 H4' DC C 126 10.055 6.492 -4.574 1.00 0.00 H new ATOM 0 H3' DC C 126 9.988 7.587 -1.894 1.00 0.00 H new ATOM 0 H2' DC C 126 8.368 9.233 -2.131 1.00 0.00 H new ATOM 0 H2'' DC C 126 9.192 9.834 -3.556 1.00 0.00 H new ATOM 0 H1' DC C 126 7.566 8.938 -4.893 1.00 0.00 H new ATOM 0 H41 DC C 126 2.668 7.822 -0.568 1.00 0.00 H new ATOM 0 H42 DC C 126 2.001 8.836 -1.853 1.00 0.00 H new ATOM 0 H5 DC C 126 4.953 7.103 -0.534 1.00 0.00 H new ATOM 0 H6 DC C 126 7.086 7.144 -1.706 1.00 0.00 H new ATOM 829 P DT C 127 11.859 9.506 -2.586 1.00 0.00 P ATOM 830 OP1 DT C 127 13.282 9.484 -2.993 1.00 0.00 O ATOM 831 OP2 DT C 127 11.496 9.360 -1.158 1.00 0.00 O ATOM 832 O5' DT C 127 11.200 10.866 -3.136 1.00 0.00 O ATOM 833 C5' DT C 127 11.286 11.207 -4.519 1.00 0.00 C ATOM 834 C4' DT C 127 10.499 12.482 -4.834 1.00 0.00 C ATOM 835 O4' DT C 127 9.077 12.225 -4.737 1.00 0.00 O ATOM 836 C3' DT C 127 10.846 13.627 -3.870 1.00 0.00 C ATOM 837 O3' DT C 127 11.401 14.736 -4.577 1.00 0.00 O ATOM 838 C2' DT C 127 9.530 14.036 -3.242 1.00 0.00 C ATOM 839 C1' DT C 127 8.433 13.260 -3.967 1.00 0.00 C ATOM 840 N1 DT C 127 7.446 12.684 -3.002 1.00 0.00 N ATOM 841 C2 DT C 127 6.115 13.064 -3.131 1.00 0.00 C ATOM 842 O2 DT C 127 5.736 13.823 -4.020 1.00 0.00 O ATOM 843 N3 DT C 127 5.235 12.536 -2.204 1.00 0.00 N ATOM 844 C4 DT C 127 5.557 11.675 -1.173 1.00 0.00 C ATOM 845 O4 DT C 127 4.688 11.258 -0.413 1.00 0.00 O ATOM 846 C5 DT C 127 6.958 11.329 -1.106 1.00 0.00 C ATOM 847 C7 DT C 127 7.433 10.406 0.022 1.00 0.00 C ATOM 848 C6 DT C 127 7.844 11.828 -2.003 1.00 0.00 C ATOM 0 H5' DT C 127 10.903 10.384 -5.122 1.00 0.00 H new ATOM 0 H5'' DT C 127 12.331 11.346 -4.796 1.00 0.00 H new ATOM 0 H4' DT C 127 10.771 12.780 -5.847 1.00 0.00 H new ATOM 0 H3' DT C 127 11.583 13.312 -3.131 1.00 0.00 H new ATOM 0 H2' DT C 127 9.524 13.809 -2.176 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.373 15.110 -3.340 1.00 0.00 H new ATOM 0 H1' DT C 127 7.869 13.924 -4.622 1.00 0.00 H new ATOM 0 H3 DT C 127 4.256 12.808 -2.290 1.00 0.00 H new ATOM 0 H71 DT C 127 6.800 10.547 0.898 1.00 0.00 H new ATOM 0 H72 DT C 127 7.372 9.369 -0.307 1.00 0.00 H new ATOM 0 H73 DT C 127 8.465 10.646 0.278 1.00 0.00 H new ATOM 0 H6 DT C 127 8.884 11.547 -1.931 1.00 0.00 H new ATOM 861 P DG C 128 12.018 15.990 -3.774 1.00 0.00 P ATOM 862 OP1 DG C 128 13.002 16.662 -4.650 1.00 0.00 O ATOM 863 OP2 DG C 128 12.424 15.525 -2.429 1.00 0.00 O ATOM 864 O5' DG C 128 10.750 16.963 -3.606 1.00 0.00 O ATOM 865 C5' DG C 128 10.090 17.495 -4.755 1.00 0.00 C ATOM 866 C4' DG C 128 8.895 18.364 -4.357 1.00 0.00 C ATOM 867 O4' DG C 128 7.880 17.547 -3.731 1.00 0.00 O ATOM 868 C3' DG C 128 9.292 19.475 -3.372 1.00 0.00 C ATOM 869 O3' DG C 128 8.964 20.756 -3.911 1.00 0.00 O ATOM 870 C2' DG C 128 8.492 19.216 -2.121 1.00 0.00 C ATOM 871 C1' DG C 128 7.550 18.063 -2.426 1.00 0.00 C ATOM 872 N9 DG C 128 7.661 17.022 -1.396 1.00 0.00 N ATOM 873 C8 DG C 128 8.746 16.291 -1.049 1.00 0.00 C ATOM 874 N7 DG C 128 8.549 15.420 -0.101 1.00 0.00 N ATOM 875 C5 DG C 128 7.201 15.596 0.210 1.00 0.00 C ATOM 876 C6 DG C 128 6.390 14.935 1.174 1.00 0.00 C ATOM 877 O6 DG C 128 6.708 14.042 1.956 1.00 0.00 O ATOM 878 N1 DG C 128 5.089 15.426 1.162 1.00 0.00 N ATOM 879 C2 DG C 128 4.624 16.422 0.327 1.00 0.00 C ATOM 880 N2 DG C 128 3.349 16.777 0.474 1.00 0.00 N ATOM 881 N3 DG C 128 5.383 17.037 -0.579 1.00 0.00 N ATOM 882 C4 DG C 128 6.652 16.577 -0.582 1.00 0.00 C ATOM 0 H5' DG C 128 9.752 16.679 -5.393 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.794 18.087 -5.340 1.00 0.00 H new ATOM 0 H4' DG C 128 8.517 18.824 -5.270 1.00 0.00 H new ATOM 0 H3' DG C 128 10.364 19.472 -3.174 1.00 0.00 H new ATOM 0 H2' DG C 128 9.149 18.967 -1.288 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.932 20.105 -1.831 1.00 0.00 H new ATOM 0 H1' DG C 128 6.516 18.408 -2.422 1.00 0.00 H new ATOM 0 H8 DG C 128 9.707 16.421 -1.525 1.00 0.00 H new ATOM 0 H1 DG C 128 4.427 15.018 1.822 1.00 0.00 H new ATOM 0 H21 DG C 128 2.952 17.508 -0.116 1.00 0.00 H new ATOM 0 H22 DG C 128 2.770 16.318 1.177 1.00 0.00 H new ATOM 894 P DC C 129 9.456 22.117 -3.201 1.00 0.00 P ATOM 895 OP1 DC C 129 9.502 23.182 -4.228 1.00 0.00 O ATOM 896 OP2 DC C 129 10.667 21.808 -2.409 1.00 0.00 O ATOM 897 O5' DC C 129 8.263 22.466 -2.173 1.00 0.00 O ATOM 898 C5' DC C 129 6.939 22.690 -2.659 1.00 0.00 C ATOM 899 C4' DC C 129 5.947 23.008 -1.532 1.00 0.00 C ATOM 900 O4' DC C 129 5.710 21.832 -0.713 1.00 0.00 O ATOM 901 C3' DC C 129 6.465 24.118 -0.609 1.00 0.00 C ATOM 902 O3' DC C 129 5.469 25.141 -0.482 1.00 0.00 O ATOM 903 C2' DC C 129 6.712 23.465 0.727 1.00 0.00 C ATOM 904 C1' DC C 129 6.043 22.100 0.672 1.00 0.00 C ATOM 905 N1 DC C 129 6.912 21.017 1.230 1.00 0.00 N ATOM 906 C2 DC C 129 6.386 20.222 2.250 1.00 0.00 C ATOM 907 O2 DC C 129 5.264 20.457 2.694 1.00 0.00 O ATOM 908 N3 DC C 129 7.141 19.199 2.733 1.00 0.00 N ATOM 909 C4 DC C 129 8.363 18.955 2.247 1.00 0.00 C ATOM 910 N4 DC C 129 9.068 17.935 2.737 1.00 0.00 N ATOM 911 C5 DC C 129 8.917 19.766 1.207 1.00 0.00 C ATOM 912 C6 DC C 129 8.165 20.778 0.728 1.00 0.00 C ATOM 0 H5' DC C 129 6.599 21.807 -3.200 1.00 0.00 H new ATOM 0 H5'' DC C 129 6.951 23.515 -3.372 1.00 0.00 H new ATOM 0 H4' DC C 129 5.027 23.336 -2.015 1.00 0.00 H new ATOM 0 H3' DC C 129 7.372 24.581 -0.998 1.00 0.00 H new ATOM 0 H2' DC C 129 7.780 23.366 0.918 1.00 0.00 H new ATOM 0 H2'' DC C 129 6.298 24.067 1.536 1.00 0.00 H new ATOM 0 H1' DC C 129 5.146 22.113 1.292 1.00 0.00 H new ATOM 0 H41 DC C 129 10.001 17.739 2.374 1.00 0.00 H new ATOM 0 H42 DC C 129 8.674 17.351 3.475 1.00 0.00 H new ATOM 0 H5 DC C 129 9.906 19.574 0.818 1.00 0.00 H new ATOM 0 H6 DC C 129 8.554 21.407 -0.059 1.00 0.00 H new ATOM 924 P DA C 130 5.716 26.448 0.428 1.00 0.00 P ATOM 925 OP1 DA C 130 4.862 27.539 -0.093 1.00 0.00 O ATOM 926 OP2 DA C 130 7.176 26.651 0.556 1.00 0.00 O ATOM 927 O5' DA C 130 5.139 25.998 1.867 1.00 0.00 O ATOM 928 C5' DA C 130 3.760 25.635 2.005 1.00 0.00 C ATOM 929 C4' DA C 130 3.402 25.238 3.444 1.00 0.00 C ATOM 930 O4' DA C 130 4.005 23.967 3.787 1.00 0.00 O ATOM 931 C3' DA C 130 3.880 26.278 4.466 1.00 0.00 C ATOM 932 O3' DA C 130 2.793 26.779 5.245 1.00 0.00 O ATOM 933 C2' DA C 130 4.825 25.542 5.385 1.00 0.00 C ATOM 934 C1' DA C 130 4.714 24.068 5.040 1.00 0.00 C ATOM 935 N9 DA C 130 6.040 23.437 4.957 1.00 0.00 N ATOM 936 C8 DA C 130 7.090 23.774 4.175 1.00 0.00 C ATOM 937 N7 DA C 130 8.145 23.026 4.306 1.00 0.00 N ATOM 938 C5 DA C 130 7.752 22.103 5.272 1.00 0.00 C ATOM 939 C6 DA C 130 8.402 21.022 5.876 1.00 0.00 C ATOM 940 N6 DA C 130 9.656 20.671 5.586 1.00 0.00 N ATOM 941 N1 DA C 130 7.715 20.320 6.795 1.00 0.00 N ATOM 942 C2 DA C 130 6.465 20.661 7.104 1.00 0.00 C ATOM 943 N3 DA C 130 5.759 21.664 6.594 1.00 0.00 N ATOM 944 C4 DA C 130 6.471 22.347 5.676 1.00 0.00 C ATOM 0 H5' DA C 130 3.537 24.804 1.335 1.00 0.00 H new ATOM 0 H5'' DA C 130 3.134 26.472 1.695 1.00 0.00 H new ATOM 0 H4' DA C 130 2.315 25.172 3.483 1.00 0.00 H new ATOM 0 H3' DA C 130 4.344 27.124 3.959 1.00 0.00 H new ATOM 0 H2' DA C 130 5.848 25.894 5.251 1.00 0.00 H new ATOM 0 H2'' DA C 130 4.563 25.715 6.429 1.00 0.00 H new ATOM 0 H1' DA C 130 4.171 23.538 5.823 1.00 0.00 H new ATOM 0 H8 DA C 130 7.055 24.607 3.489 1.00 0.00 H new ATOM 0 H61 DA C 130 10.084 19.873 6.056 1.00 0.00 H new ATOM 0 H62 DA C 130 10.187 21.200 4.894 1.00 0.00 H new ATOM 0 H2 DA C 130 5.972 20.056 7.850 1.00 0.00 H new ATOM 956 P DA C 131 3.068 27.949 6.315 1.00 0.00 P ATOM 957 OP1 DA C 131 1.791 28.652 6.567 1.00 0.00 O ATOM 958 OP2 DA C 131 4.254 28.713 5.869 1.00 0.00 O ATOM 959 O5' DA C 131 3.467 27.135 7.653 1.00 0.00 O ATOM 960 C5' DA C 131 2.495 26.375 8.375 1.00 0.00 C ATOM 961 C4' DA C 131 3.110 25.691 9.610 1.00 0.00 C ATOM 962 O4' DA C 131 3.996 24.608 9.229 1.00 0.00 O ATOM 963 C3' DA C 131 3.914 26.681 10.464 1.00 0.00 C ATOM 964 O3' DA C 131 3.339 26.837 11.761 1.00 0.00 O ATOM 965 C2' DA C 131 5.288 26.065 10.613 1.00 0.00 C ATOM 966 C1' DA C 131 5.232 24.687 9.977 1.00 0.00 C ATOM 967 N9 DA C 131 6.403 24.454 9.113 1.00 0.00 N ATOM 968 C8 DA C 131 6.821 25.180 8.052 1.00 0.00 C ATOM 969 N7 DA C 131 7.910 24.759 7.482 1.00 0.00 N ATOM 970 C5 DA C 131 8.249 23.642 8.243 1.00 0.00 C ATOM 971 C6 DA C 131 9.307 22.729 8.169 1.00 0.00 C ATOM 972 N6 DA C 131 10.274 22.809 7.254 1.00 0.00 N ATOM 973 N1 DA C 131 9.337 21.736 9.077 1.00 0.00 N ATOM 974 C2 DA C 131 8.385 21.652 10.008 1.00 0.00 C ATOM 975 N3 DA C 131 7.342 22.465 10.168 1.00 0.00 N ATOM 976 C4 DA C 131 7.337 23.446 9.241 1.00 0.00 C ATOM 0 H5' DA C 131 2.062 25.620 7.719 1.00 0.00 H new ATOM 0 H5'' DA C 131 1.681 27.029 8.689 1.00 0.00 H new ATOM 0 H4' DA C 131 2.273 25.301 10.189 1.00 0.00 H new ATOM 0 H3' DA C 131 3.933 27.664 9.994 1.00 0.00 H new ATOM 0 H2' DA C 131 6.042 26.683 10.126 1.00 0.00 H new ATOM 0 H2'' DA C 131 5.566 25.993 11.665 1.00 0.00 H new ATOM 0 H1' DA C 131 5.258 23.911 10.742 1.00 0.00 H new ATOM 0 H8 DA C 131 6.286 26.051 7.702 1.00 0.00 H new ATOM 0 H61 DA C 131 11.024 22.118 7.243 1.00 0.00 H new ATOM 0 H62 DA C 131 10.264 23.562 6.566 1.00 0.00 H new ATOM 0 H2 DA C 131 8.469 20.835 10.709 1.00 0.00 H new ATOM 988 P DC C 132 3.999 27.865 12.812 1.00 0.00 P ATOM 989 OP1 DC C 132 2.953 28.276 13.774 1.00 0.00 O ATOM 990 OP2 DC C 132 4.745 28.893 12.050 1.00 0.00 O ATOM 991 O5' DC C 132 5.067 26.946 13.594 1.00 0.00 O ATOM 992 C5' DC C 132 4.655 25.728 14.216 1.00 0.00 C ATOM 993 C4' DC C 132 5.840 24.922 14.763 1.00 0.00 C ATOM 994 O4' DC C 132 6.628 24.351 13.692 1.00 0.00 O ATOM 995 C3' DC C 132 6.774 25.779 15.628 1.00 0.00 C ATOM 996 O3' DC C 132 6.678 25.401 17.004 1.00 0.00 O ATOM 997 C2' DC C 132 8.172 25.501 15.106 1.00 0.00 C ATOM 998 C1' DC C 132 8.034 24.473 13.998 1.00 0.00 C ATOM 999 N1 DC C 132 8.813 24.878 12.797 1.00 0.00 N ATOM 1000 C2 DC C 132 9.929 24.124 12.437 1.00 0.00 C ATOM 1001 O2 DC C 132 10.251 23.145 13.104 1.00 0.00 O ATOM 1002 N3 DC C 132 10.646 24.510 11.346 1.00 0.00 N ATOM 1003 C4 DC C 132 10.288 25.586 10.632 1.00 0.00 C ATOM 1004 N4 DC C 132 11.013 25.934 9.566 1.00 0.00 N ATOM 1005 C5 DC C 132 9.141 26.360 10.998 1.00 0.00 C ATOM 1006 C6 DC C 132 8.440 25.968 12.081 1.00 0.00 C ATOM 0 H5' DC C 132 4.108 25.121 13.494 1.00 0.00 H new ATOM 0 H5'' DC C 132 3.966 25.954 15.030 1.00 0.00 H new ATOM 0 H4' DC C 132 5.404 24.132 15.374 1.00 0.00 H new ATOM 0 H3' DC C 132 6.516 26.837 15.571 1.00 0.00 H new ATOM 0 H2' DC C 132 8.632 26.415 14.730 1.00 0.00 H new ATOM 0 H2'' DC C 132 8.814 25.126 15.903 1.00 0.00 H new ATOM 0 HO3' DC C 132 7.282 25.957 17.539 1.00 0.00 H new ATOM 0 H1' DC C 132 8.433 23.511 14.320 1.00 0.00 H new ATOM 0 H41 DC C 132 10.750 26.751 9.015 1.00 0.00 H new ATOM 0 H42 DC C 132 11.830 25.383 9.303 1.00 0.00 H new ATOM 0 H5 DC C 132 8.847 27.228 10.426 1.00 0.00 H new ATOM 0 H6 DC C 132 7.569 26.530 12.383 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -6.168 15.041 11.322 1.00 0.00 N ATOM 1021 CA LYS A 1 -6.459 14.175 12.501 1.00 0.00 C ATOM 1022 C LYS A 1 -6.540 12.707 12.064 1.00 0.00 C ATOM 1023 O LYS A 1 -7.605 12.129 11.974 1.00 0.00 O ATOM 1024 CB LYS A 1 -7.782 14.603 13.148 1.00 0.00 C ATOM 1025 CG LYS A 1 -8.833 14.872 12.067 1.00 0.00 C ATOM 1026 CD LYS A 1 -10.158 15.253 12.735 1.00 0.00 C ATOM 1027 CE LYS A 1 -11.242 15.443 11.671 1.00 0.00 C ATOM 1028 NZ LYS A 1 -12.494 15.923 12.323 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.458 16.018 11.529 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.148 15.018 11.118 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.694 14.691 10.496 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.656 14.284 13.230 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.135 13.823 13.823 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.629 15.500 13.749 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.499 15.675 11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.967 13.987 11.445 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.458 14.475 13.437 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.035 16.171 13.309 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.910 16.162 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.426 14.503 11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.233 16.053 11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.812 15.222 13.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.312 16.829 12.800 1.00 0.00 H new ATOM 1044 N ARG A 2 -5.410 12.100 11.813 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.393 10.664 11.403 1.00 0.00 C ATOM 1046 C ARG A 2 -5.993 9.803 12.518 1.00 0.00 C ATOM 1047 O ARG A 2 -6.718 8.860 12.276 1.00 0.00 O ATOM 1048 CB ARG A 2 -3.958 10.237 11.153 1.00 0.00 C ATOM 1049 CG ARG A 2 -3.939 8.767 10.733 1.00 0.00 C ATOM 1050 CD ARG A 2 -2.584 8.451 10.119 1.00 0.00 C ATOM 1051 NE ARG A 2 -2.423 6.976 9.963 1.00 0.00 N ATOM 1052 CZ ARG A 2 -1.479 6.505 9.195 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -0.690 7.325 8.555 1.00 0.00 N ATOM 1054 NH2 ARG A 2 -1.326 5.214 9.063 1.00 0.00 N ATOM 0 H ARG A 2 -4.492 12.540 11.875 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.981 10.536 10.494 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.512 10.856 10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.361 10.378 12.054 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.122 8.126 11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.734 8.569 10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.493 8.939 9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.789 8.847 10.751 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.049 6.338 10.455 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.812 8.333 8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.048 6.958 7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.945 4.574 9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.588 4.847 8.462 1.00 0.00 H new ATOM 1068 N ALA A 3 -5.667 10.125 13.739 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.177 9.341 14.904 1.00 0.00 C ATOM 1070 C ALA A 3 -7.702 9.195 14.847 1.00 0.00 C ATOM 1071 O ALA A 3 -8.427 10.170 14.840 1.00 0.00 O ATOM 1072 CB ALA A 3 -5.813 10.081 16.193 1.00 0.00 C ATOM 0 H ALA A 3 -5.061 10.908 13.984 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.726 8.349 14.876 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.180 9.519 17.051 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.730 10.182 16.261 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.270 11.071 16.186 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.193 7.984 14.836 1.00 0.00 N ATOM 1079 CA GLY A 4 -9.672 7.771 14.816 1.00 0.00 C ATOM 1080 C GLY A 4 -10.212 7.864 13.387 1.00 0.00 C ATOM 1081 O GLY A 4 -11.355 7.537 13.128 1.00 0.00 O ATOM 0 H GLY A 4 -7.634 7.131 14.840 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.910 6.794 15.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.160 8.516 15.444 1.00 0.00 H new ATOM 1085 N THR A 5 -9.417 8.318 12.461 1.00 0.00 N ATOM 1086 CA THR A 5 -9.912 8.444 11.061 1.00 0.00 C ATOM 1087 C THR A 5 -10.295 7.080 10.510 1.00 0.00 C ATOM 1088 O THR A 5 -9.476 6.189 10.393 1.00 0.00 O ATOM 1089 CB THR A 5 -8.827 9.035 10.172 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.248 10.156 10.821 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.443 9.473 8.836 1.00 0.00 C ATOM 0 H THR A 5 -8.450 8.606 12.610 1.00 0.00 H new ATOM 0 HA THR A 5 -10.785 9.097 11.069 1.00 0.00 H new ATOM 0 HB THR A 5 -8.057 8.286 9.985 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.955 10.704 11.221 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.667 9.896 8.199 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.889 8.610 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.212 10.224 9.019 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.533 6.933 10.134 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.015 5.656 9.538 1.00 0.00 C ATOM 1101 C VAL A 6 -12.569 5.993 8.162 1.00 0.00 C ATOM 1102 O VAL A 6 -13.180 7.026 7.973 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.112 5.057 10.414 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.521 4.665 11.775 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.222 6.092 10.610 1.00 0.00 C ATOM 0 H VAL A 6 -12.246 7.658 10.216 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.208 4.927 9.464 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.525 4.170 9.933 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.303 4.237 12.402 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.730 3.930 11.630 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.110 5.549 12.261 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.008 5.669 11.235 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.812 6.978 11.094 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.638 6.367 9.641 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.363 5.162 7.192 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.881 5.474 5.840 1.00 0.00 C ATOM 1117 C CYS A 7 -14.393 5.524 5.856 1.00 0.00 C ATOM 1118 O CYS A 7 -15.067 4.544 6.086 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.394 4.400 4.888 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.848 4.803 3.188 1.00 0.00 S ATOM 0 H CYS A 7 -11.858 4.279 7.274 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.520 6.450 5.515 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.311 4.300 4.967 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.824 3.438 5.166 1.00 0.00 H new ATOM 1125 N SER A 8 -14.929 6.672 5.604 1.00 0.00 N ATOM 1126 CA SER A 8 -16.397 6.812 5.590 1.00 0.00 C ATOM 1127 C SER A 8 -16.980 5.887 4.524 1.00 0.00 C ATOM 1128 O SER A 8 -18.019 5.287 4.716 1.00 0.00 O ATOM 1129 CB SER A 8 -16.755 8.263 5.274 1.00 0.00 C ATOM 1130 OG SER A 8 -16.325 9.086 6.349 1.00 0.00 O ATOM 0 H SER A 8 -14.409 7.527 5.405 1.00 0.00 H new ATOM 0 HA SER A 8 -16.809 6.541 6.562 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.278 8.576 4.345 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.831 8.363 5.129 1.00 0.00 H new ATOM 0 HG SER A 8 -15.380 9.315 6.228 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.339 5.784 3.382 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.893 4.916 2.306 1.00 0.00 C ATOM 1138 C ASN A 9 -16.749 3.425 2.631 1.00 0.00 C ATOM 1139 O ASN A 9 -17.644 2.661 2.330 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.158 5.209 0.997 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.549 6.597 0.489 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -16.036 7.056 -0.512 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.444 7.290 1.139 1.00 0.00 N ATOM 0 H ASN A 9 -15.466 6.260 3.155 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.956 5.139 2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.081 5.158 1.154 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.407 4.454 0.251 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.712 8.216 0.806 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.875 6.905 1.980 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.639 2.972 3.207 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.504 1.495 3.485 1.00 0.00 C ATOM 1152 C CYS A 10 -15.065 1.214 4.933 1.00 0.00 C ATOM 1153 O CYS A 10 -14.733 0.095 5.271 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.539 0.844 2.474 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.814 1.131 2.934 1.00 0.00 S ATOM 0 H CYS A 10 -14.845 3.547 3.488 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.490 1.046 3.364 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.731 -0.228 2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.724 1.248 1.479 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.112 2.191 5.802 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.764 1.970 7.244 1.00 0.00 C ATOM 1162 C GLN A 11 -13.361 1.389 7.458 1.00 0.00 C ATOM 1163 O GLN A 11 -12.969 1.144 8.581 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.805 1.040 7.868 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.181 1.708 7.800 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.231 0.786 8.421 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.213 0.539 9.609 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.152 0.260 7.659 1.00 0.00 N ATOM 0 H GLN A 11 -15.380 3.148 5.573 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.766 2.948 7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.823 0.087 7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.543 0.824 8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.160 2.661 8.329 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.440 1.925 6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.167 0.467 6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.856 -0.358 8.062 1.00 0.00 H new ATOM 1177 N THR A 12 -12.584 1.172 6.436 1.00 0.00 N ATOM 1178 CA THR A 12 -11.221 0.620 6.689 1.00 0.00 C ATOM 1179 C THR A 12 -10.414 1.665 7.482 1.00 0.00 C ATOM 1180 O THR A 12 -10.737 2.836 7.456 1.00 0.00 O ATOM 1181 CB THR A 12 -10.533 0.294 5.353 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.373 -0.484 5.601 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.137 1.573 4.624 1.00 0.00 C ATOM 0 H THR A 12 -12.822 1.346 5.460 1.00 0.00 H new ATOM 0 HA THR A 12 -11.285 -0.302 7.266 1.00 0.00 H new ATOM 0 HB THR A 12 -11.231 -0.262 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.933 -0.695 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.652 1.319 3.681 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.028 2.169 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.448 2.147 5.244 1.00 0.00 H new ATOM 1191 N SER A 13 -9.373 1.264 8.182 1.00 0.00 N ATOM 1192 CA SER A 13 -8.555 2.260 8.972 1.00 0.00 C ATOM 1193 C SER A 13 -7.063 2.034 8.703 1.00 0.00 C ATOM 1194 O SER A 13 -6.213 2.613 9.352 1.00 0.00 O ATOM 1195 CB SER A 13 -8.846 2.091 10.464 1.00 0.00 C ATOM 1196 OG SER A 13 -10.239 1.876 10.648 1.00 0.00 O ATOM 0 H SER A 13 -9.053 0.297 8.243 1.00 0.00 H new ATOM 0 HA SER A 13 -8.822 3.272 8.666 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.280 1.249 10.864 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.528 2.978 11.011 1.00 0.00 H new ATOM 0 HG SER A 13 -10.430 1.766 11.603 1.00 0.00 H new ATOM 1202 N THR A 14 -6.740 1.203 7.745 1.00 0.00 N ATOM 1203 CA THR A 14 -5.306 0.930 7.410 1.00 0.00 C ATOM 1204 C THR A 14 -4.992 1.562 6.058 1.00 0.00 C ATOM 1205 O THR A 14 -4.486 0.936 5.162 1.00 0.00 O ATOM 1206 CB THR A 14 -5.094 -0.581 7.333 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.533 -1.053 6.067 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.903 -1.257 8.441 1.00 0.00 C ATOM 0 H THR A 14 -7.415 0.695 7.173 1.00 0.00 H new ATOM 0 HA THR A 14 -4.650 1.350 8.173 1.00 0.00 H new ATOM 0 HB THR A 14 -4.037 -0.814 7.459 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.064 -0.568 5.356 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.756 -2.336 8.392 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.569 -0.889 9.411 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.961 -1.028 8.310 1.00 0.00 H new ATOM 1216 N THR A 15 -5.364 2.786 5.894 1.00 0.00 N ATOM 1217 CA THR A 15 -5.162 3.476 4.585 1.00 0.00 C ATOM 1218 C THR A 15 -3.711 3.896 4.393 1.00 0.00 C ATOM 1219 O THR A 15 -3.030 4.262 5.331 1.00 0.00 O ATOM 1220 CB THR A 15 -6.013 4.742 4.579 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.312 5.783 5.249 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.299 4.464 5.327 1.00 0.00 C ATOM 0 H THR A 15 -5.807 3.356 6.615 1.00 0.00 H new ATOM 0 HA THR A 15 -5.440 2.788 3.787 1.00 0.00 H new ATOM 0 HB THR A 15 -6.226 5.041 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.924 6.253 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.919 5.361 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.837 3.653 4.836 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.068 4.177 6.353 1.00 0.00 H new ATOM 1230 N THR A 16 -3.247 3.904 3.171 1.00 0.00 N ATOM 1231 CA THR A 16 -1.861 4.371 2.923 1.00 0.00 C ATOM 1232 C THR A 16 -1.892 5.900 2.994 1.00 0.00 C ATOM 1233 O THR A 16 -0.980 6.530 3.492 1.00 0.00 O ATOM 1234 CB THR A 16 -1.368 3.933 1.531 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.230 4.467 0.538 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.336 2.402 1.410 1.00 0.00 C ATOM 0 H THR A 16 -3.766 3.609 2.344 1.00 0.00 H new ATOM 0 HA THR A 16 -1.182 3.944 3.661 1.00 0.00 H new ATOM 0 HB THR A 16 -0.354 4.309 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.129 3.956 -0.292 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.984 2.123 0.417 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.663 1.992 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.339 2.004 1.565 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.960 6.503 2.509 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.069 7.998 2.561 1.00 0.00 C ATOM 1246 C LEU A 17 -4.552 8.396 2.705 1.00 0.00 C ATOM 1247 O LEU A 17 -5.406 7.902 1.992 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.486 8.621 1.274 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.839 9.981 1.588 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.451 9.779 2.233 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.703 10.786 0.290 1.00 0.00 C ATOM 0 H LEU A 17 -3.754 6.025 2.083 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.504 8.368 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.746 7.950 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.275 8.748 0.533 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.469 10.525 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.006 10.750 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.559 9.215 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.193 9.229 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.245 11.751 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.078 10.238 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.690 10.942 -0.146 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.861 9.283 3.615 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.278 9.718 3.798 1.00 0.00 C ATOM 1265 C TRP A 18 -6.633 10.786 2.754 1.00 0.00 C ATOM 1266 O TRP A 18 -5.923 11.757 2.586 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.425 10.329 5.194 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.406 9.244 6.221 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.406 9.020 7.103 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.415 8.228 6.483 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.743 7.931 7.890 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.971 7.413 7.548 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.661 7.940 5.907 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.736 6.350 8.026 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.430 6.870 6.383 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.970 6.078 7.438 1.00 0.00 C ATOM 0 H TRP A 18 -4.190 9.727 4.242 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.941 8.861 3.681 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.615 11.034 5.380 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.357 10.890 5.260 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.495 9.595 7.181 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.152 7.558 8.633 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.029 8.546 5.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.376 5.743 8.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.387 6.656 5.930 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.570 5.255 7.798 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.728 10.612 2.052 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.145 11.611 1.013 1.00 0.00 C ATOM 1289 C ARG A 19 -9.481 12.238 1.429 1.00 0.00 C ATOM 1290 O ARG A 19 -10.448 11.538 1.623 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.368 10.894 -0.341 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.295 9.837 -0.597 1.00 0.00 C ATOM 1293 CD ARG A 19 -5.971 10.515 -0.908 1.00 0.00 C ATOM 1294 NE ARG A 19 -4.938 9.471 -1.160 1.00 0.00 N ATOM 1295 CZ ARG A 19 -3.803 9.779 -1.728 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.562 11.003 -2.113 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -2.906 8.851 -1.904 1.00 0.00 N ATOM 0 H ARG A 19 -8.356 9.815 2.154 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.368 12.370 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.352 10.425 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.359 11.627 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.189 9.194 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.592 9.198 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.074 11.160 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.669 11.150 -0.075 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.119 8.505 -0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.264 11.730 -1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.672 11.233 -2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.094 7.896 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.016 9.079 -2.346 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.584 13.527 1.555 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.913 14.092 1.931 1.00 0.00 C ATOM 1313 C ARG A 20 -11.818 14.012 0.691 1.00 0.00 C ATOM 1314 O ARG A 20 -11.367 14.178 -0.425 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.757 15.547 2.391 1.00 0.00 C ATOM 1316 CG ARG A 20 -9.884 15.611 3.657 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.704 15.211 4.891 1.00 0.00 C ATOM 1318 NE ARG A 20 -9.923 15.501 6.127 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.525 15.512 7.283 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.808 15.283 7.348 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.849 15.751 8.373 1.00 0.00 N ATOM 0 H ARG A 20 -8.831 14.202 1.419 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.351 13.529 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.304 16.141 1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.737 15.980 2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.027 14.946 3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.490 16.619 3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.646 15.759 4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.953 14.151 4.847 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.922 15.690 6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.337 15.096 6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.282 15.291 8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.846 15.930 8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.323 15.759 9.276 1.00 0.00 H new ATOM 1335 N SER A 21 -13.089 13.745 0.871 1.00 0.00 N ATOM 1336 CA SER A 21 -14.016 13.639 -0.307 1.00 0.00 C ATOM 1337 C SER A 21 -14.656 15.011 -0.589 1.00 0.00 C ATOM 1338 O SER A 21 -14.732 15.845 0.286 1.00 0.00 O ATOM 1339 CB SER A 21 -15.094 12.586 0.002 1.00 0.00 C ATOM 1340 OG SER A 21 -14.646 11.313 -0.447 1.00 0.00 O ATOM 0 H SER A 21 -13.527 13.596 1.780 1.00 0.00 H new ATOM 0 HA SER A 21 -13.463 13.332 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.295 12.557 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.030 12.850 -0.491 1.00 0.00 H new ATOM 0 HG SER A 21 -15.329 10.638 -0.251 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.109 15.252 -1.802 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.747 16.556 -2.143 1.00 0.00 C ATOM 1348 C PRO A 22 -16.828 16.973 -1.128 1.00 0.00 C ATOM 1349 O PRO A 22 -17.187 18.131 -1.034 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.361 16.270 -3.535 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.012 14.821 -3.937 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.014 14.265 -2.915 1.00 0.00 C ATOM 0 HA PRO A 22 -15.041 17.386 -2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.442 16.405 -3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.971 16.972 -4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.912 14.207 -3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.582 14.798 -4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.283 13.260 -2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.005 14.209 -3.323 1.00 0.00 H new ATOM 1360 N MET A 23 -17.356 16.037 -0.374 1.00 0.00 N ATOM 1361 CA MET A 23 -18.419 16.382 0.626 1.00 0.00 C ATOM 1362 C MET A 23 -17.787 16.568 2.006 1.00 0.00 C ATOM 1363 O MET A 23 -18.409 17.067 2.924 1.00 0.00 O ATOM 1364 CB MET A 23 -19.441 15.243 0.698 1.00 0.00 C ATOM 1365 CG MET A 23 -20.651 15.697 1.524 1.00 0.00 C ATOM 1366 SD MET A 23 -21.977 14.469 1.393 1.00 0.00 S ATOM 1367 CE MET A 23 -22.653 14.990 -0.208 1.00 0.00 C ATOM 0 H MET A 23 -17.098 15.051 -0.407 1.00 0.00 H new ATOM 0 HA MET A 23 -18.912 17.305 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.758 14.959 -0.306 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.988 14.361 1.151 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.363 15.826 2.567 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.003 16.666 1.169 1.00 0.00 H new ATOM 0 HE1 MET A 23 -23.641 15.427 -0.061 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.992 15.730 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 23 -22.733 14.126 -0.868 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.553 16.167 2.162 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.866 16.308 3.480 1.00 0.00 C ATOM 1379 C GLY A 24 -15.971 14.992 4.253 1.00 0.00 C ATOM 1380 O GLY A 24 -15.982 14.978 5.468 1.00 0.00 O ATOM 0 H GLY A 24 -15.987 15.744 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.819 16.572 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.319 17.116 4.054 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.053 13.882 3.564 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.160 12.560 4.248 1.00 0.00 C ATOM 1386 C ASP A 25 -14.802 11.822 4.165 1.00 0.00 C ATOM 1387 O ASP A 25 -14.405 11.410 3.093 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.210 11.730 3.506 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.556 12.456 3.563 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.632 13.469 4.239 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.487 11.986 2.931 1.00 0.00 O ATOM 0 H ASP A 25 -16.050 13.836 2.545 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.436 12.700 5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.907 11.581 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.296 10.742 3.958 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.081 11.646 5.261 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.763 10.935 5.204 1.00 0.00 C ATOM 1398 C PRO A 26 -12.840 9.595 4.447 1.00 0.00 C ATOM 1399 O PRO A 26 -13.731 8.801 4.669 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.464 10.718 6.700 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.292 11.742 7.484 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.498 12.124 6.615 1.00 0.00 C ATOM 0 HA PRO A 26 -11.997 11.493 4.665 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.724 9.703 7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.401 10.848 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.622 11.321 8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.693 12.622 7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.413 11.638 6.954 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.684 13.198 6.627 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.890 9.330 3.578 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.891 8.019 2.836 1.00 0.00 C ATOM 1412 C VAL A 27 -10.470 7.473 2.712 1.00 0.00 C ATOM 1413 O VAL A 27 -9.503 8.202 2.810 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.497 8.167 1.439 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.010 8.358 1.563 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.858 9.362 0.727 1.00 0.00 C ATOM 0 H VAL A 27 -11.119 9.957 3.350 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.502 7.322 3.409 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.302 7.269 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.446 8.464 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.447 7.492 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.217 9.254 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.290 9.466 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.045 10.270 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.783 9.202 0.641 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.333 6.191 2.466 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.979 5.598 2.305 1.00 0.00 C ATOM 1428 C CYS A 28 -8.516 5.820 0.861 1.00 0.00 C ATOM 1429 O CYS A 28 -9.315 6.039 -0.028 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.011 4.099 2.671 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.904 3.122 1.427 1.00 0.00 S ATOM 0 H CYS A 28 -11.107 5.533 2.371 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.270 6.080 2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.991 3.725 2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.487 3.972 3.643 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.234 5.814 0.627 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.723 6.080 -0.752 1.00 0.00 C ATOM 1438 C ASN A 29 -7.442 5.221 -1.794 1.00 0.00 C ATOM 1439 O ASN A 29 -7.765 5.687 -2.869 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.223 5.778 -0.803 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.730 5.881 -2.250 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.717 4.903 -2.971 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -4.355 7.037 -2.715 1.00 0.00 N ATOM 0 H ASN A 29 -6.516 5.637 1.329 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.911 7.128 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.678 6.480 -0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.029 4.779 -0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.050 7.122 -3.685 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.366 7.858 -2.110 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.674 3.978 -1.516 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.346 3.123 -2.528 1.00 0.00 C ATOM 1452 C ALA A 30 -9.743 3.685 -2.866 1.00 0.00 C ATOM 1453 O ALA A 30 -10.049 3.939 -4.014 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.446 1.706 -1.982 1.00 0.00 C ATOM 0 H ALA A 30 -7.431 3.516 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.764 3.113 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.938 1.067 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.446 1.323 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.026 1.712 -1.059 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.596 3.872 -1.889 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.967 4.410 -2.185 1.00 0.00 C ATOM 1462 C CYS A 31 -11.868 5.733 -2.938 1.00 0.00 C ATOM 1463 O CYS A 31 -12.521 5.951 -3.920 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.723 4.700 -0.882 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.274 3.168 -0.119 1.00 0.00 S ATOM 0 H CYS A 31 -10.408 3.678 -0.905 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.488 3.659 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.077 5.244 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.581 5.340 -1.087 1.00 0.00 H new ATOM 1470 N GLY A 32 -11.067 6.621 -2.466 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.965 7.937 -3.142 1.00 0.00 C ATOM 1472 C GLY A 32 -10.688 7.753 -4.631 1.00 0.00 C ATOM 1473 O GLY A 32 -11.346 8.339 -5.469 1.00 0.00 O ATOM 0 H GLY A 32 -10.476 6.502 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.891 8.496 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.168 8.525 -2.688 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.717 6.962 -4.978 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.407 6.777 -6.419 1.00 0.00 C ATOM 1479 C LEU A 33 -10.524 5.999 -7.125 1.00 0.00 C ATOM 1480 O LEU A 33 -11.062 6.450 -8.107 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.087 6.012 -6.558 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.916 6.861 -6.012 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.763 5.942 -5.585 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.403 7.814 -7.101 1.00 0.00 C ATOM 0 H LEU A 33 -9.127 6.438 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.323 7.759 -6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.146 5.069 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.910 5.766 -7.605 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.273 7.435 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.940 6.545 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.109 5.262 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.420 5.365 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.578 8.407 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.056 7.235 -7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.210 8.477 -7.414 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.882 4.839 -6.647 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.967 4.071 -7.333 1.00 0.00 C ATOM 1498 C TYR A 34 -13.263 4.884 -7.344 1.00 0.00 C ATOM 1499 O TYR A 34 -13.945 4.973 -8.343 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.218 2.739 -6.611 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.525 2.148 -7.103 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -13.613 1.604 -8.388 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.657 2.181 -6.281 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -14.832 1.086 -8.847 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.874 1.667 -6.740 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.962 1.119 -8.022 1.00 0.00 C ATOM 1507 OH TYR A 34 -17.163 0.613 -8.474 1.00 0.00 O ATOM 0 H TYR A 34 -10.479 4.392 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.650 3.874 -8.357 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.397 2.047 -6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.259 2.897 -5.533 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.742 1.583 -9.027 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.591 2.604 -5.290 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.899 0.661 -9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.746 1.694 -6.103 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.052 0.272 -9.386 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.618 5.453 -6.237 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.880 6.226 -6.168 1.00 0.00 C ATOM 1519 C TYR A 35 -14.826 7.361 -7.194 1.00 0.00 C ATOM 1520 O TYR A 35 -15.780 7.642 -7.887 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.016 6.800 -4.750 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.438 7.190 -4.495 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.881 8.446 -4.894 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.310 6.294 -3.863 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.207 8.820 -4.667 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.636 6.657 -3.631 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.091 7.925 -4.033 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.402 8.290 -3.807 1.00 0.00 O ATOM 0 H TYR A 35 -13.085 5.417 -5.368 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.737 5.589 -6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.695 6.061 -4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.365 7.667 -4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.201 9.131 -5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.955 5.322 -3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.555 9.794 -4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.310 5.967 -3.145 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.874 7.556 -3.362 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.713 8.012 -7.300 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.593 9.130 -8.272 1.00 0.00 C ATOM 1540 C LYS A 36 -13.883 8.628 -9.694 1.00 0.00 C ATOM 1541 O LYS A 36 -14.607 9.260 -10.437 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.161 9.668 -8.199 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.986 10.869 -9.130 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.500 11.128 -9.369 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.732 11.174 -8.040 1.00 0.00 C ATOM 1546 NZ LYS A 36 -10.446 12.054 -7.071 1.00 0.00 N ATOM 0 H LYS A 36 -12.873 7.820 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.310 9.914 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.928 9.959 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.458 8.882 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.489 10.681 -10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.452 11.751 -8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.088 10.345 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.372 12.071 -9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.637 10.169 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.721 11.547 -8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.752 12.606 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.074 12.702 -7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.010 11.469 -6.421 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.329 7.525 -10.095 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.592 7.042 -11.481 1.00 0.00 C ATOM 1562 C LEU A 37 -15.091 6.787 -11.669 1.00 0.00 C ATOM 1563 O LEU A 37 -15.717 7.372 -12.530 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.787 5.757 -11.719 1.00 0.00 C ATOM 1565 CG LEU A 37 -11.377 6.107 -12.226 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.737 7.190 -11.331 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -10.511 4.842 -12.217 1.00 0.00 C ATOM 0 H LEU A 37 -12.711 6.939 -9.534 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.284 7.797 -12.205 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.718 5.184 -10.794 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.298 5.127 -12.447 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.447 6.497 -13.242 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.740 7.427 -11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.354 8.088 -11.349 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.665 6.821 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.510 5.084 -12.575 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.448 4.451 -11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.958 4.091 -12.868 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.678 5.939 -10.867 1.00 0.00 N ATOM 1580 CA HIS A 38 -17.144 5.679 -11.004 1.00 0.00 C ATOM 1581 C HIS A 38 -17.880 6.568 -10.003 1.00 0.00 C ATOM 1582 O HIS A 38 -18.519 7.519 -10.388 1.00 0.00 O ATOM 1583 CB HIS A 38 -17.429 4.199 -10.711 1.00 0.00 C ATOM 1584 CG HIS A 38 -16.349 3.354 -11.326 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -16.590 2.510 -12.399 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -15.013 3.217 -11.035 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -15.427 1.908 -12.710 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -14.435 2.303 -11.910 1.00 0.00 N ATOM 0 H HIS A 38 -15.210 5.417 -10.126 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.482 5.904 -12.016 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -17.470 4.031 -9.635 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -18.401 3.917 -11.115 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -17.485 2.371 -12.867 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.491 3.739 -10.247 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.311 1.192 -13.510 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.773 6.215 -8.736 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.431 6.955 -7.595 1.00 0.00 C ATOM 1598 C GLN A 39 -19.541 6.098 -6.989 1.00 0.00 C ATOM 1599 O GLN A 39 -20.680 6.500 -6.867 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.965 8.351 -8.014 1.00 0.00 C ATOM 1601 CG GLN A 39 -20.331 8.246 -8.749 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.411 9.252 -9.914 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.441 9.901 -10.254 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.541 9.399 -10.549 1.00 0.00 N ATOM 0 H GLN A 39 -17.231 5.406 -8.433 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.667 7.137 -6.839 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.074 8.979 -7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.238 8.839 -8.664 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.467 7.233 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -21.142 8.434 -8.045 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -22.358 8.857 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.607 10.056 -11.326 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.184 4.914 -6.569 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.152 3.991 -5.929 1.00 0.00 C ATOM 1615 C VAL A 40 -19.439 3.261 -4.792 1.00 0.00 C ATOM 1616 O VAL A 40 -18.230 3.138 -4.785 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.646 2.966 -6.942 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.523 3.649 -7.990 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.451 2.291 -7.627 1.00 0.00 C ATOM 0 H VAL A 40 -18.237 4.544 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 40 -21.004 4.557 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.234 2.210 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.872 2.909 -8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.380 4.112 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.943 4.414 -8.507 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.812 1.559 -8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.853 3.044 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.838 1.789 -6.878 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.170 2.776 -3.831 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.525 2.051 -2.694 1.00 0.00 C ATOM 1631 C ASN A 41 -19.353 0.561 -3.055 1.00 0.00 C ATOM 1632 O ASN A 41 -20.219 -0.030 -3.667 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.416 2.169 -1.456 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.762 1.499 -1.729 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.137 1.306 -2.869 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.510 1.133 -0.725 1.00 0.00 N ATOM 0 H ASN A 41 -21.186 2.848 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.547 2.488 -2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.931 1.699 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.565 3.218 -1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.410 0.685 -0.896 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.195 1.295 0.231 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.256 -0.060 -2.676 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.053 -1.519 -2.998 1.00 0.00 C ATOM 1645 C ARG A 42 -18.414 -2.372 -1.762 1.00 0.00 C ATOM 1646 O ARG A 42 -18.262 -1.911 -0.648 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.581 -1.763 -3.350 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.226 -1.030 -4.648 1.00 0.00 C ATOM 1649 CD ARG A 42 -17.004 -1.623 -5.836 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.218 -1.421 -7.086 1.00 0.00 N ATOM 1651 CZ ARG A 42 -16.512 -2.104 -8.158 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -17.527 -2.924 -8.153 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -15.799 -1.957 -9.240 1.00 0.00 N ATOM 0 H ARG A 42 -17.493 0.377 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.688 -1.794 -3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.942 -1.414 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.398 -2.831 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.457 0.030 -4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.155 -1.106 -4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -17.185 -2.686 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -17.979 -1.143 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.451 -0.749 -7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -18.092 -3.032 -7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.756 -3.457 -8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.012 -1.308 -9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.028 -2.491 -10.078 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.885 -3.604 -1.928 1.00 0.00 N ATOM 1668 CA PRO A 43 -19.234 -4.441 -0.736 1.00 0.00 C ATOM 1669 C PRO A 43 -17.997 -4.778 0.126 1.00 0.00 C ATOM 1670 O PRO A 43 -17.808 -5.891 0.574 1.00 0.00 O ATOM 1671 CB PRO A 43 -19.844 -5.705 -1.384 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.580 -5.651 -2.903 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.109 -4.231 -3.265 1.00 0.00 C ATOM 0 HA PRO A 43 -19.908 -3.938 -0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -19.400 -6.603 -0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.915 -5.753 -1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.823 -6.384 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.486 -5.902 -3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.197 -4.247 -3.862 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.859 -3.692 -3.844 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.172 -3.800 0.363 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.953 -4.001 1.198 1.00 0.00 C ATOM 1683 C LEU A 44 -15.215 -5.286 0.790 1.00 0.00 C ATOM 1684 O LEU A 44 -14.503 -5.876 1.578 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.388 -4.088 2.672 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.374 -2.695 3.309 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.444 -1.811 2.660 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.636 -2.816 4.813 1.00 0.00 C ATOM 0 H LEU A 44 -17.291 -2.851 0.008 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.269 -3.165 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.388 -4.517 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.719 -4.753 3.218 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.397 -2.238 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.427 -0.823 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.242 -1.719 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.426 -2.262 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.626 -1.824 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.609 -3.279 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.860 -3.431 5.269 1.00 0.00 H new ATOM 1700 N THR A 45 -15.365 -5.722 -0.425 1.00 0.00 N ATOM 1701 CA THR A 45 -14.657 -6.962 -0.854 1.00 0.00 C ATOM 1702 C THR A 45 -13.162 -6.675 -1.034 1.00 0.00 C ATOM 1703 O THR A 45 -12.366 -7.581 -1.187 1.00 0.00 O ATOM 1704 CB THR A 45 -15.240 -7.447 -2.186 1.00 0.00 C ATOM 1705 OG1 THR A 45 -14.306 -8.308 -2.822 1.00 0.00 O ATOM 1706 CG2 THR A 45 -15.531 -6.248 -3.096 1.00 0.00 C ATOM 0 H THR A 45 -15.943 -5.279 -1.139 1.00 0.00 H new ATOM 0 HA THR A 45 -14.788 -7.729 -0.091 1.00 0.00 H new ATOM 0 HB THR A 45 -16.168 -7.986 -1.997 1.00 0.00 H new ATOM 0 HG1 THR A 45 -13.546 -8.465 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.945 -6.600 -4.041 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.248 -5.587 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.607 -5.703 -3.286 1.00 0.00 H new ATOM 1714 N MET A 46 -12.776 -5.424 -1.047 1.00 0.00 N ATOM 1715 CA MET A 46 -11.329 -5.084 -1.256 1.00 0.00 C ATOM 1716 C MET A 46 -10.623 -4.803 0.072 1.00 0.00 C ATOM 1717 O MET A 46 -9.411 -4.750 0.126 1.00 0.00 O ATOM 1718 CB MET A 46 -11.230 -3.829 -2.129 1.00 0.00 C ATOM 1719 CG MET A 46 -11.748 -4.128 -3.540 1.00 0.00 C ATOM 1720 SD MET A 46 -10.467 -4.977 -4.498 1.00 0.00 S ATOM 1721 CE MET A 46 -9.596 -3.505 -5.099 1.00 0.00 C ATOM 0 H MET A 46 -13.396 -4.623 -0.923 1.00 0.00 H new ATOM 0 HA MET A 46 -10.848 -5.936 -1.736 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.810 -3.020 -1.684 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.195 -3.490 -2.177 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.644 -4.747 -3.485 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.032 -3.200 -4.037 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.935 -3.783 -5.919 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.321 -2.771 -5.451 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.008 -3.074 -4.289 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.342 -4.594 1.144 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.639 -4.292 2.428 1.00 0.00 C ATOM 1733 C ARG A 47 -10.165 -5.591 3.080 1.00 0.00 C ATOM 1734 O ARG A 47 -10.857 -6.589 3.090 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.555 -3.522 3.400 1.00 0.00 C ATOM 1736 CG ARG A 47 -12.582 -2.685 2.636 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.913 -1.720 1.648 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.973 -1.062 0.829 1.00 0.00 N ATOM 1739 CZ ARG A 47 -12.680 -0.036 0.077 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.470 0.450 0.074 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -13.599 0.507 -0.673 1.00 0.00 N ATOM 0 H ARG A 47 -12.361 -4.618 1.189 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.779 -3.662 2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.069 -4.225 4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.953 -2.874 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.259 -3.346 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.187 -2.118 3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.332 -0.971 2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.219 -2.260 1.004 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.930 -1.415 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.750 0.028 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.244 1.252 -0.515 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.547 0.130 -0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.370 1.309 -1.260 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.985 -5.564 3.629 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.412 -6.769 4.309 1.00 0.00 C ATOM 1757 C LYS A 48 -8.020 -6.344 5.726 1.00 0.00 C ATOM 1758 O LYS A 48 -8.591 -5.422 6.274 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.179 -7.250 3.518 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.969 -8.759 3.722 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.590 -9.176 3.190 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.549 -9.046 1.665 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.313 -9.700 1.148 1.00 0.00 N ATOM 0 H LYS A 48 -8.378 -4.744 3.638 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.129 -7.589 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.312 -7.035 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.293 -6.705 3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.049 -9.005 4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.751 -9.316 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.816 -8.551 3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.376 -10.205 3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.431 -9.511 1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.566 -7.995 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.282 -9.614 0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.477 -9.237 1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.316 -10.706 1.411 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.046 -6.969 6.328 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.643 -6.538 7.700 1.00 0.00 C ATOM 1779 C ASP A 49 -5.578 -5.454 7.563 1.00 0.00 C ATOM 1780 O ASP A 49 -5.879 -4.280 7.587 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.061 -7.724 8.475 1.00 0.00 C ATOM 1782 CG ASP A 49 -7.112 -8.828 8.590 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -8.235 -8.598 8.173 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -6.776 -9.886 9.096 1.00 0.00 O ATOM 0 H ASP A 49 -6.517 -7.749 5.938 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.511 -6.159 8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.175 -8.104 7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.746 -7.403 9.468 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.341 -5.829 7.405 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.272 -4.803 7.257 1.00 0.00 C ATOM 1791 C GLY A 50 -3.329 -4.224 5.843 1.00 0.00 C ATOM 1792 O GLY A 50 -4.290 -4.416 5.126 1.00 0.00 O ATOM 0 H GLY A 50 -4.024 -6.798 7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.406 -4.011 7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.295 -5.248 7.442 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.308 -3.518 5.431 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.304 -2.934 4.062 1.00 0.00 C ATOM 1798 C ILE A 51 -1.640 -3.902 3.083 1.00 0.00 C ATOM 1799 O ILE A 51 -0.682 -4.577 3.404 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.550 -1.604 4.091 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.128 -0.752 5.241 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.720 -0.891 2.743 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.838 0.742 5.032 1.00 0.00 C ATOM 0 H ILE A 51 -1.476 -3.322 5.987 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.328 -2.761 3.732 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.485 -1.764 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.205 -0.909 5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.699 -1.078 6.189 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.183 0.057 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.320 -1.518 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.778 -0.705 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.259 1.313 5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.760 0.901 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.289 1.073 4.096 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.135 -3.951 1.881 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.528 -4.845 0.861 1.00 0.00 C ATOM 1817 C GLN A 52 -0.189 -4.244 0.447 1.00 0.00 C ATOM 1818 O GLN A 52 -0.004 -3.047 0.497 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.456 -4.942 -0.352 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.648 -5.835 -0.013 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.595 -5.894 -1.213 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -5.417 -6.782 -1.311 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.516 -4.971 -2.136 1.00 0.00 N ATOM 0 H GLN A 52 -2.937 -3.408 1.560 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.381 -5.846 1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.802 -3.949 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.914 -5.349 -1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.305 -6.837 0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.172 -5.445 0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.825 -4.225 -2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.145 -4.997 -2.938 1.00 0.00 H new ATOM 1832 N THR A 53 0.766 -5.056 0.079 1.00 0.00 N ATOM 1833 CA THR A 53 2.103 -4.504 -0.305 1.00 0.00 C ATOM 1834 C THR A 53 2.668 -5.251 -1.505 1.00 0.00 C ATOM 1835 O THR A 53 2.305 -6.373 -1.798 1.00 0.00 O ATOM 1836 CB THR A 53 3.057 -4.636 0.873 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.398 -4.512 0.419 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.848 -5.994 1.532 1.00 0.00 C ATOM 0 H THR A 53 0.682 -6.071 0.027 1.00 0.00 H new ATOM 0 HA THR A 53 1.987 -3.454 -0.574 1.00 0.00 H new ATOM 0 HB THR A 53 2.860 -3.848 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.010 -4.596 1.180 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.528 -6.097 2.378 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.819 -6.074 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.047 -6.784 0.808 1.00 0.00 H new ATOM 1846 N ARG A 54 3.560 -4.607 -2.197 1.00 0.00 N ATOM 1847 CA ARG A 54 4.193 -5.214 -3.405 1.00 0.00 C ATOM 1848 C ARG A 54 5.631 -4.711 -3.539 1.00 0.00 C ATOM 1849 O ARG A 54 6.024 -3.751 -2.905 1.00 0.00 O ATOM 1850 CB ARG A 54 3.374 -4.845 -4.652 1.00 0.00 C ATOM 1851 CG ARG A 54 2.064 -5.640 -4.640 1.00 0.00 C ATOM 1852 CD ARG A 54 1.233 -5.319 -5.883 1.00 0.00 C ATOM 1853 NE ARG A 54 -0.085 -6.035 -5.802 1.00 0.00 N ATOM 1854 CZ ARG A 54 -0.155 -7.335 -5.655 1.00 0.00 C ATOM 1855 NH1 ARG A 54 0.910 -8.078 -5.787 1.00 0.00 N ATOM 1856 NH2 ARG A 54 -1.310 -7.900 -5.433 1.00 0.00 N ATOM 0 H ARG A 54 3.886 -3.666 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 54 4.212 -6.299 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.165 -3.775 -4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.942 -5.068 -5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.280 -6.708 -4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.494 -5.400 -3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.071 -4.244 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.770 -5.624 -6.781 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.948 -5.495 -5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.808 -7.647 -6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.844 -9.089 -5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.154 -7.330 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.369 -8.912 -5.318 1.00 0.00 H new ATOM 1870 N ASN A 55 6.424 -5.362 -4.344 1.00 0.00 N ATOM 1871 CA ASN A 55 7.839 -4.924 -4.495 1.00 0.00 C ATOM 1872 C ASN A 55 7.861 -3.462 -4.943 1.00 0.00 C ATOM 1873 O ASN A 55 7.099 -3.048 -5.794 1.00 0.00 O ATOM 1874 CB ASN A 55 8.549 -5.793 -5.538 1.00 0.00 C ATOM 1875 CG ASN A 55 8.533 -7.259 -5.095 1.00 0.00 C ATOM 1876 OD1 ASN A 55 8.362 -8.148 -5.905 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.699 -7.551 -3.834 1.00 0.00 N ATOM 0 H ASN A 55 6.155 -6.173 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 55 8.356 -5.027 -3.541 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.056 -5.691 -6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.577 -5.454 -5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.685 -8.524 -3.530 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.843 -6.806 -3.153 1.00 0.00 H new ATOM 1884 N ARG A 56 8.722 -2.677 -4.359 1.00 0.00 N ATOM 1885 CA ARG A 56 8.791 -1.234 -4.728 1.00 0.00 C ATOM 1886 C ARG A 56 9.167 -1.091 -6.205 1.00 0.00 C ATOM 1887 O ARG A 56 10.106 -1.701 -6.677 1.00 0.00 O ATOM 1888 CB ARG A 56 9.851 -0.543 -3.870 1.00 0.00 C ATOM 1889 CG ARG A 56 9.729 0.971 -4.057 1.00 0.00 C ATOM 1890 CD ARG A 56 10.775 1.684 -3.203 1.00 0.00 C ATOM 1891 NE ARG A 56 10.572 1.333 -1.771 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.519 1.565 -0.905 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.644 2.091 -1.302 1.00 0.00 N ATOM 1894 NH2 ARG A 56 11.344 1.268 0.353 1.00 0.00 N ATOM 0 H ARG A 56 9.383 -2.972 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 56 7.818 -0.774 -4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.717 -0.805 -2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.847 -0.879 -4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.866 1.229 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.729 1.302 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.777 1.395 -3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.696 2.763 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 56 9.694 0.912 -1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.781 2.319 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.387 2.274 -0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.465 0.853 0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.086 1.451 1.028 1.00 0.00 H new ATOM 1908 N LYS A 57 8.436 -0.293 -6.939 1.00 0.00 N ATOM 1909 CA LYS A 57 8.744 -0.115 -8.388 1.00 0.00 C ATOM 1910 C LYS A 57 10.169 0.403 -8.567 1.00 0.00 C ATOM 1911 O LYS A 57 10.944 0.465 -7.634 1.00 0.00 O ATOM 1912 CB LYS A 57 7.767 0.876 -9.006 1.00 0.00 C ATOM 1913 CG LYS A 57 7.899 2.228 -8.330 1.00 0.00 C ATOM 1914 CD LYS A 57 6.883 3.173 -8.956 1.00 0.00 C ATOM 1915 CE LYS A 57 6.987 4.547 -8.299 1.00 0.00 C ATOM 1916 NZ LYS A 57 6.075 5.500 -8.992 1.00 0.00 N ATOM 0 H LYS A 57 7.639 0.243 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 57 8.649 -1.081 -8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.963 0.974 -10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.747 0.506 -8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.723 2.136 -7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.909 2.619 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.062 3.257 -10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.876 2.775 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.724 4.478 -7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.014 4.909 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.146 6.436 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.346 5.574 -9.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.096 5.156 -8.923 1.00 0.00 H new ATOM 1930 N VAL A 58 10.515 0.785 -9.766 1.00 0.00 N ATOM 1931 CA VAL A 58 11.880 1.310 -10.019 1.00 0.00 C ATOM 1932 C VAL A 58 12.091 2.570 -9.184 1.00 0.00 C ATOM 1933 O VAL A 58 11.197 3.381 -9.034 1.00 0.00 O ATOM 1934 CB VAL A 58 12.021 1.666 -11.499 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.866 0.403 -12.347 1.00 0.00 C ATOM 1936 CG2 VAL A 58 10.941 2.683 -11.888 1.00 0.00 C ATOM 0 H VAL A 58 9.905 0.755 -10.583 1.00 0.00 H new ATOM 0 HA VAL A 58 12.619 0.555 -9.750 1.00 0.00 H new ATOM 0 HB VAL A 58 13.005 2.100 -11.674 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.967 0.658 -13.402 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.637 -0.316 -12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.883 -0.034 -12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.043 2.936 -12.943 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.955 2.253 -11.711 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.056 3.584 -11.286 1.00 0.00 H new ATOM 1946 N SER A 59 13.262 2.751 -8.645 1.00 0.00 N ATOM 1947 CA SER A 59 13.525 3.971 -7.828 1.00 0.00 C ATOM 1948 C SER A 59 14.055 5.072 -8.747 1.00 0.00 C ATOM 1949 O SER A 59 15.146 4.978 -9.275 1.00 0.00 O ATOM 1950 CB SER A 59 14.556 3.651 -6.746 1.00 0.00 C ATOM 1951 OG SER A 59 14.096 2.549 -5.976 1.00 0.00 O ATOM 0 H SER A 59 14.050 2.109 -8.733 1.00 0.00 H new ATOM 0 HA SER A 59 12.605 4.305 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.518 3.416 -7.201 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.710 4.519 -6.105 1.00 0.00 H new ATOM 0 HG SER A 59 14.754 2.338 -5.281 1.00 0.00 H new ATOM 1957 N SER A 60 13.282 6.108 -8.952 1.00 0.00 N ATOM 1958 CA SER A 60 13.718 7.223 -9.851 1.00 0.00 C ATOM 1959 C SER A 60 14.074 8.457 -9.015 1.00 0.00 C ATOM 1960 O SER A 60 13.244 9.030 -8.337 1.00 0.00 O ATOM 1961 CB SER A 60 12.574 7.556 -10.813 1.00 0.00 C ATOM 1962 OG SER A 60 12.970 8.622 -11.666 1.00 0.00 O ATOM 0 H SER A 60 12.360 6.231 -8.533 1.00 0.00 H new ATOM 0 HA SER A 60 14.599 6.919 -10.417 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.315 6.678 -11.405 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.682 7.836 -10.252 1.00 0.00 H new ATOM 0 HG SER A 60 12.240 8.835 -12.283 1.00 0.00 H new ATOM 1968 N LYS A 61 15.319 8.859 -9.069 1.00 0.00 N ATOM 1969 CA LYS A 61 15.780 10.048 -8.293 1.00 0.00 C ATOM 1970 C LYS A 61 16.939 10.711 -9.052 1.00 0.00 C ATOM 1971 O LYS A 61 17.962 10.098 -9.285 1.00 0.00 O ATOM 1972 CB LYS A 61 16.263 9.566 -6.922 1.00 0.00 C ATOM 1973 CG LYS A 61 16.562 10.761 -6.004 1.00 0.00 C ATOM 1974 CD LYS A 61 17.233 10.274 -4.704 1.00 0.00 C ATOM 1975 CE LYS A 61 16.186 9.712 -3.722 1.00 0.00 C ATOM 1976 NZ LYS A 61 16.799 8.598 -2.942 1.00 0.00 N ATOM 0 H LYS A 61 16.044 8.407 -9.626 1.00 0.00 H new ATOM 0 HA LYS A 61 14.972 10.769 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.504 8.931 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 61 17.160 8.957 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.214 11.469 -6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.638 11.290 -5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.969 9.505 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.770 11.099 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.841 10.497 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.313 9.354 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.098 8.213 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.107 7.847 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.619 8.956 -2.412 1.00 0.00 H new ATOM 1990 N GLY A 62 16.797 11.951 -9.442 1.00 0.00 N ATOM 1991 CA GLY A 62 17.907 12.620 -10.186 1.00 0.00 C ATOM 1992 C GLY A 62 17.554 14.085 -10.452 1.00 0.00 C ATOM 1993 O GLY A 62 17.795 14.607 -11.522 1.00 0.00 O ATOM 0 H GLY A 62 15.970 12.525 -9.280 1.00 0.00 H new ATOM 0 HA2 GLY A 62 18.830 12.559 -9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.086 12.104 -11.129 1.00 0.00 H new ATOM 1997 N LYS A 63 16.987 14.751 -9.484 1.00 0.00 N ATOM 1998 CA LYS A 63 16.616 16.184 -9.672 1.00 0.00 C ATOM 1999 C LYS A 63 17.780 17.075 -9.228 1.00 0.00 C ATOM 2000 O LYS A 63 18.335 16.897 -8.161 1.00 0.00 O ATOM 2001 CB LYS A 63 15.377 16.480 -8.824 1.00 0.00 C ATOM 2002 CG LYS A 63 14.174 15.758 -9.438 1.00 0.00 C ATOM 2003 CD LYS A 63 12.919 16.037 -8.610 1.00 0.00 C ATOM 2004 CE LYS A 63 11.730 15.308 -9.238 1.00 0.00 C ATOM 2005 NZ LYS A 63 12.020 13.848 -9.308 1.00 0.00 N ATOM 0 H LYS A 63 16.763 14.364 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 63 16.401 16.384 -10.722 1.00 0.00 H new ATOM 0 HB2 LYS A 63 15.534 16.147 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 63 15.194 17.554 -8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.024 16.092 -10.465 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.364 14.685 -9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.065 15.703 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.725 17.109 -8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.830 15.483 -8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.537 15.699 -10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.127 13.319 -9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.601 13.649 -10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.535 13.555 -8.453 1.00 0.00 H new ATOM 2019 N LYS A 64 18.160 18.028 -10.049 1.00 0.00 N ATOM 2020 CA LYS A 64 19.299 18.941 -9.701 1.00 0.00 C ATOM 2021 C LYS A 64 18.778 20.360 -9.479 1.00 0.00 C ATOM 2022 O LYS A 64 19.469 21.328 -9.728 1.00 0.00 O ATOM 2023 CB LYS A 64 20.315 18.963 -10.845 1.00 0.00 C ATOM 2024 CG LYS A 64 21.010 17.605 -10.940 1.00 0.00 C ATOM 2025 CD LYS A 64 22.057 17.649 -12.054 1.00 0.00 C ATOM 2026 CE LYS A 64 22.756 16.293 -12.153 1.00 0.00 C ATOM 2027 NZ LYS A 64 21.819 15.299 -12.747 1.00 0.00 N ATOM 0 H LYS A 64 17.726 18.214 -10.953 1.00 0.00 H new ATOM 0 HA LYS A 64 19.775 18.576 -8.791 1.00 0.00 H new ATOM 0 HB2 LYS A 64 19.814 19.193 -11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 64 21.051 19.749 -10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.484 17.359 -9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.279 16.823 -11.143 1.00 0.00 H new ATOM 0 HD2 LYS A 64 21.582 17.895 -13.004 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.787 18.432 -11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.653 16.377 -12.767 1.00 0.00 H new ATOM 0 HE3 LYS A 64 23.076 15.963 -11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.346 14.445 -13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.090 15.048 -12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.366 15.709 -13.588 1.00 0.00 H new ATOM 2041 N ARG A 65 17.566 20.499 -9.027 1.00 0.00 N ATOM 2042 CA ARG A 65 17.014 21.864 -8.808 1.00 0.00 C ATOM 2043 C ARG A 65 17.983 22.672 -7.941 1.00 0.00 C ATOM 2044 O ARG A 65 18.494 22.192 -6.948 1.00 0.00 O ATOM 2045 CB ARG A 65 15.659 21.751 -8.101 1.00 0.00 C ATOM 2046 CG ARG A 65 14.937 23.113 -8.114 1.00 0.00 C ATOM 2047 CD ARG A 65 14.146 23.291 -9.424 1.00 0.00 C ATOM 2048 NE ARG A 65 12.787 22.700 -9.261 1.00 0.00 N ATOM 2049 CZ ARG A 65 11.838 22.979 -10.116 1.00 0.00 C ATOM 2050 NH1 ARG A 65 12.063 23.799 -11.108 1.00 0.00 N ATOM 2051 NH2 ARG A 65 10.660 22.440 -9.972 1.00 0.00 N ATOM 0 H ARG A 65 16.935 19.731 -8.800 1.00 0.00 H new ATOM 0 HA ARG A 65 16.884 22.368 -9.766 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.044 21.000 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.803 21.417 -7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.261 23.181 -7.262 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.664 23.918 -8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.068 24.349 -9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.670 22.806 -10.248 1.00 0.00 H new ATOM 0 HE ARG A 65 12.597 22.075 -8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.983 24.225 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.319 24.013 -11.772 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.482 21.804 -9.195 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.916 22.655 -10.636 1.00 0.00 H new ATOM 2065 N ARG A 66 18.248 23.896 -8.318 1.00 0.00 N ATOM 2066 CA ARG A 66 19.190 24.738 -7.527 1.00 0.00 C ATOM 2067 C ARG A 66 18.476 25.284 -6.289 1.00 0.00 C ATOM 2068 O ARG A 66 19.155 25.802 -5.418 1.00 0.00 O ATOM 2069 CB ARG A 66 19.684 25.906 -8.390 1.00 0.00 C ATOM 2070 CG ARG A 66 20.519 25.367 -9.556 1.00 0.00 C ATOM 2071 CD ARG A 66 21.021 26.531 -10.419 1.00 0.00 C ATOM 2072 NE ARG A 66 19.866 27.250 -11.031 1.00 0.00 N ATOM 2073 CZ ARG A 66 20.037 28.445 -11.532 1.00 0.00 C ATOM 2074 NH1 ARG A 66 21.212 29.013 -11.483 1.00 0.00 N ATOM 2075 NH2 ARG A 66 19.035 29.074 -12.084 1.00 0.00 N ATOM 2076 OXT ARG A 66 17.262 25.174 -6.233 1.00 0.00 O ATOM 0 H ARG A 66 17.851 24.348 -9.142 1.00 0.00 H new ATOM 0 HA ARG A 66 20.041 24.132 -7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 66 18.835 26.475 -8.770 1.00 0.00 H new ATOM 0 HB3 ARG A 66 20.282 26.589 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 66 21.364 24.794 -9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 66 19.919 24.687 -10.161 1.00 0.00 H new ATOM 0 HD2 ARG A 66 21.607 27.219 -9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.682 26.156 -11.201 1.00 0.00 H new ATOM 0 HE ARG A 66 18.946 26.810 -11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 66 21.997 28.524 -11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 66 21.344 29.946 -11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.116 28.633 -12.125 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.171 30.007 -12.474 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -12.188 3.056 1.876 1.00 0.00 ZN