USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 913 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot -150:sc= -0.112 USER MOD Set 1.2: A 29 ASN : amide:sc= -10! C(o=-11!,f=-13!) USER MOD Set 1.3: C 125 DT C7 :methyl 150:sc= -0.778 (180deg=-0.753) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot -157:sc= 1.25 USER MOD Single : A 1 LYS N :NH3+ -165:sc= -0.359 (180deg=-1.03) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -161:sc= 0.279! USER MOD Single : A 8 SER OG : rot 72:sc= 1.21 USER MOD Single : A 9 ASN : amide:sc= -3.54! C(o=-3.5!,f=-2.9!) USER MOD Single : A 11 GLN : amide:sc= -3.92! C(o=-3.9!,f=-6.8!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -130:sc= 0.768 USER MOD Single : A 21 SER OG : rot 180:sc= 0.123 USER MOD Single : A 23 MET CE :methyl 138:sc= -0.111 (180deg=-1.02) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -127:sc= -2.17 (180deg=-4.54!) USER MOD Single : A 38 HIS : no HD1:sc= -0.0952 X(o=-0.095,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -2.21! C(o=-2.2!,f=-4.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00646 USER MOD Single : A 46 MET CE :methyl -144:sc= -0.426 (180deg=-1.11) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.39 K(o=-2.4,f=-4.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 57 LYS NZ :NH3+ -113:sc= -1.76 (180deg=-4.11!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 26:sc= 0.652 USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= -0.18 (180deg=-1) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.995 (180deg=-1.6) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -0.0378 (180deg=-0.375) USER MOD Single : B 101 DG O5' : rot 83:sc= -0.678! USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.508 (180deg=-1.07) USER MOD Single : B 103 DT C7 :methyl -30:sc= -0.354 (180deg=-1.04) USER MOD Single : B 109 DT C7 :methyl -30:sc= -1.77! (180deg=-2.33) USER MOD Single : B 115 DT C7 :methyl -30:sc= -0.3 (180deg=-0.436) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.997 (180deg=-0.997) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 38:sc= 1.12 USER MOD Single : C 119 DT C7 :methyl -30:sc= -0.135 (180deg=-1.04) USER MOD Single : C 121 DT C7 :methyl 150:sc= -1 (180deg=-1) USER MOD Single : C 122 DT C7 :methyl 150:sc= -1.14 (180deg=-1.14) USER MOD Single : C 123 DT C7 :methyl -30:sc= -1.04 (180deg=-3.09!) USER MOD Single : C 127 DT C7 :methyl -30:sc= -1.3 (180deg=-1.44) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 18.802 21.153 10.900 1.00 0.00 O ATOM 2 C5' DG B 101 19.312 20.590 12.113 1.00 0.00 C ATOM 3 C4' DG B 101 18.361 19.538 12.689 1.00 0.00 C ATOM 4 O4' DG B 101 17.163 20.183 13.173 1.00 0.00 O ATOM 5 C3' DG B 101 17.938 18.509 11.635 1.00 0.00 C ATOM 6 O3' DG B 101 17.956 17.184 12.184 1.00 0.00 O ATOM 7 C2' DG B 101 16.530 18.896 11.250 1.00 0.00 C ATOM 8 C1' DG B 101 16.048 19.894 12.300 1.00 0.00 C ATOM 9 N9 DG B 101 15.539 21.130 11.667 1.00 0.00 N ATOM 10 C8 DG B 101 16.099 21.896 10.683 1.00 0.00 C ATOM 11 N7 DG B 101 15.391 22.918 10.306 1.00 0.00 N ATOM 12 C5 DG B 101 14.255 22.831 11.109 1.00 0.00 C ATOM 13 C6 DG B 101 13.111 23.673 11.160 1.00 0.00 C ATOM 14 O6 DG B 101 12.868 24.673 10.486 1.00 0.00 O ATOM 15 N1 DG B 101 12.200 23.237 12.113 1.00 0.00 N ATOM 16 C2 DG B 101 12.365 22.127 12.917 1.00 0.00 C ATOM 17 N2 DG B 101 11.385 21.876 13.785 1.00 0.00 N ATOM 18 N3 DG B 101 13.437 21.331 12.869 1.00 0.00 N ATOM 19 C4 DG B 101 14.338 21.741 11.947 1.00 0.00 C ATOM 0 H5' DG B 101 19.466 21.382 12.846 1.00 0.00 H new ATOM 0 H5'' DG B 101 20.285 20.137 11.924 1.00 0.00 H new ATOM 0 H4' DG B 101 18.894 19.029 13.492 1.00 0.00 H new ATOM 0 H3' DG B 101 18.613 18.505 10.779 1.00 0.00 H new ATOM 0 H2' DG B 101 16.509 19.340 10.255 1.00 0.00 H new ATOM 0 H2'' DG B 101 15.882 18.020 11.222 1.00 0.00 H new ATOM 0 HO5' DG B 101 18.164 21.866 11.113 1.00 0.00 H new ATOM 0 H1' DG B 101 15.221 19.469 12.869 1.00 0.00 H new ATOM 0 H8 DG B 101 17.062 21.668 10.250 1.00 0.00 H new ATOM 0 H1 DG B 101 11.343 23.778 12.228 1.00 0.00 H new ATOM 0 H21 DG B 101 11.449 21.070 14.407 1.00 0.00 H new ATOM 0 H22 DG B 101 10.572 22.490 13.827 1.00 0.00 H new ATOM 32 P DT B 102 17.523 15.910 11.292 1.00 0.00 P ATOM 33 OP1 DT B 102 18.215 14.717 11.830 1.00 0.00 O ATOM 34 OP2 DT B 102 17.675 16.270 9.864 1.00 0.00 O ATOM 35 O5' DT B 102 15.946 15.763 11.614 1.00 0.00 O ATOM 36 C5' DT B 102 15.518 15.532 12.957 1.00 0.00 C ATOM 37 C4' DT B 102 13.990 15.432 13.099 1.00 0.00 C ATOM 38 O4' DT B 102 13.368 16.728 12.907 1.00 0.00 O ATOM 39 C3' DT B 102 13.353 14.459 12.096 1.00 0.00 C ATOM 40 O3' DT B 102 12.699 13.402 12.798 1.00 0.00 O ATOM 41 C2' DT B 102 12.336 15.267 11.323 1.00 0.00 C ATOM 42 C1' DT B 102 12.221 16.611 12.030 1.00 0.00 C ATOM 43 N1 DT B 102 12.163 17.749 11.066 1.00 0.00 N ATOM 44 C2 DT B 102 11.053 18.588 11.104 1.00 0.00 C ATOM 45 O2 DT B 102 10.118 18.395 11.878 1.00 0.00 O ATOM 46 N3 DT B 102 11.058 19.650 10.218 1.00 0.00 N ATOM 47 C4 DT B 102 12.057 19.944 9.306 1.00 0.00 C ATOM 48 O4 DT B 102 11.958 20.915 8.560 1.00 0.00 O ATOM 49 C5 DT B 102 13.169 19.019 9.333 1.00 0.00 C ATOM 50 C7 DT B 102 14.334 19.235 8.358 1.00 0.00 C ATOM 51 C6 DT B 102 13.185 17.973 10.195 1.00 0.00 C ATOM 0 H5' DT B 102 15.883 16.340 13.591 1.00 0.00 H new ATOM 0 H5'' DT B 102 15.971 14.610 13.322 1.00 0.00 H new ATOM 0 H4' DT B 102 13.818 15.058 14.108 1.00 0.00 H new ATOM 0 H3' DT B 102 14.098 14.014 11.437 1.00 0.00 H new ATOM 0 H2' DT B 102 12.652 15.399 10.288 1.00 0.00 H new ATOM 0 H2'' DT B 102 11.373 14.758 11.300 1.00 0.00 H new ATOM 0 H1' DT B 102 11.291 16.655 12.597 1.00 0.00 H new ATOM 0 H3 DT B 102 10.251 20.274 10.238 1.00 0.00 H new ATOM 0 H71 DT B 102 13.964 19.710 7.449 1.00 0.00 H new ATOM 0 H72 DT B 102 15.084 19.875 8.823 1.00 0.00 H new ATOM 0 H73 DT B 102 14.783 18.273 8.108 1.00 0.00 H new ATOM 0 H6 DT B 102 14.030 17.300 10.191 1.00 0.00 H new ATOM 64 P DT B 103 11.932 12.218 12.024 1.00 0.00 P ATOM 65 OP1 DT B 103 11.899 11.030 12.904 1.00 0.00 O ATOM 66 OP2 DT B 103 12.491 12.113 10.657 1.00 0.00 O ATOM 67 O5' DT B 103 10.439 12.820 11.919 1.00 0.00 O ATOM 68 C5' DT B 103 9.741 13.136 13.127 1.00 0.00 C ATOM 69 C4' DT B 103 8.337 13.699 12.891 1.00 0.00 C ATOM 70 O4' DT B 103 8.406 15.039 12.348 1.00 0.00 O ATOM 71 C3' DT B 103 7.506 12.839 11.930 1.00 0.00 C ATOM 72 O3' DT B 103 6.342 12.381 12.613 1.00 0.00 O ATOM 73 C2' DT B 103 7.103 13.764 10.801 1.00 0.00 C ATOM 74 C1' DT B 103 7.481 15.175 11.249 1.00 0.00 C ATOM 75 N1 DT B 103 8.086 15.963 10.141 1.00 0.00 N ATOM 76 C2 DT B 103 7.467 17.144 9.750 1.00 0.00 C ATOM 77 O2 DT B 103 6.438 17.553 10.286 1.00 0.00 O ATOM 78 N3 DT B 103 8.078 17.836 8.722 1.00 0.00 N ATOM 79 C4 DT B 103 9.233 17.461 8.059 1.00 0.00 C ATOM 80 O4 DT B 103 9.688 18.150 7.152 1.00 0.00 O ATOM 81 C5 DT B 103 9.807 16.224 8.532 1.00 0.00 C ATOM 82 C7 DT B 103 11.087 15.699 7.869 1.00 0.00 C ATOM 83 C6 DT B 103 9.227 15.531 9.538 1.00 0.00 C ATOM 0 H5' DT B 103 10.324 13.861 13.695 1.00 0.00 H new ATOM 0 H5'' DT B 103 9.665 12.237 13.739 1.00 0.00 H new ATOM 0 H4' DT B 103 7.850 13.702 13.866 1.00 0.00 H new ATOM 0 H3' DT B 103 8.057 11.973 11.563 1.00 0.00 H new ATOM 0 H2' DT B 103 7.618 13.498 9.878 1.00 0.00 H new ATOM 0 H2'' DT B 103 6.034 13.692 10.602 1.00 0.00 H new ATOM 0 H1' DT B 103 6.588 15.720 11.557 1.00 0.00 H new ATOM 0 H3 DT B 103 7.636 18.705 8.424 1.00 0.00 H new ATOM 0 H71 DT B 103 11.113 16.016 6.827 1.00 0.00 H new ATOM 0 H72 DT B 103 11.957 16.097 8.391 1.00 0.00 H new ATOM 0 H73 DT B 103 11.102 14.610 7.917 1.00 0.00 H new ATOM 0 H6 DT B 103 9.681 14.610 9.872 1.00 0.00 H new ATOM 96 P DG B 104 5.290 11.376 11.934 1.00 0.00 P ATOM 97 OP1 DG B 104 4.575 10.658 13.014 1.00 0.00 O ATOM 98 OP2 DG B 104 5.990 10.615 10.877 1.00 0.00 O ATOM 99 O5' DG B 104 4.257 12.388 11.230 1.00 0.00 O ATOM 100 C5' DG B 104 3.541 13.330 12.023 1.00 0.00 C ATOM 101 C4' DG B 104 2.610 14.202 11.180 1.00 0.00 C ATOM 102 O4' DG B 104 3.376 15.112 10.355 1.00 0.00 O ATOM 103 C3' DG B 104 1.736 13.353 10.251 1.00 0.00 C ATOM 104 O3' DG B 104 0.363 13.711 10.430 1.00 0.00 O ATOM 105 C2' DG B 104 2.175 13.703 8.855 1.00 0.00 C ATOM 106 C1' DG B 104 3.009 14.963 8.965 1.00 0.00 C ATOM 107 N9 DG B 104 4.207 14.904 8.100 1.00 0.00 N ATOM 108 C8 DG B 104 5.161 13.932 7.994 1.00 0.00 C ATOM 109 N7 DG B 104 6.120 14.188 7.153 1.00 0.00 N ATOM 110 C5 DG B 104 5.774 15.441 6.647 1.00 0.00 C ATOM 111 C6 DG B 104 6.434 16.253 5.684 1.00 0.00 C ATOM 112 O6 DG B 104 7.481 16.025 5.081 1.00 0.00 O ATOM 113 N1 DG B 104 5.745 17.440 5.460 1.00 0.00 N ATOM 114 C2 DG B 104 4.569 17.803 6.082 1.00 0.00 C ATOM 115 N2 DG B 104 4.051 18.981 5.733 1.00 0.00 N ATOM 116 N3 DG B 104 3.948 17.042 6.987 1.00 0.00 N ATOM 117 C4 DG B 104 4.604 15.883 7.219 1.00 0.00 C ATOM 0 H5' DG B 104 4.248 13.966 12.556 1.00 0.00 H new ATOM 0 H5'' DG B 104 2.958 12.800 12.776 1.00 0.00 H new ATOM 0 H4' DG B 104 1.978 14.754 11.876 1.00 0.00 H new ATOM 0 H3' DG B 104 1.837 12.287 10.453 1.00 0.00 H new ATOM 0 H2' DG B 104 2.756 12.891 8.417 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.313 13.864 8.207 1.00 0.00 H new ATOM 0 H1' DG B 104 2.434 15.824 8.624 1.00 0.00 H new ATOM 0 H8 DG B 104 5.122 13.017 8.567 1.00 0.00 H new ATOM 0 H1 DG B 104 6.140 18.093 4.783 1.00 0.00 H new ATOM 0 H21 DG B 104 3.182 19.303 6.160 1.00 0.00 H new ATOM 0 H22 DG B 104 4.524 19.560 5.039 1.00 0.00 H new ATOM 129 P DC B 105 -0.815 12.996 9.596 1.00 0.00 P ATOM 130 OP1 DC B 105 -2.065 13.101 10.382 1.00 0.00 O ATOM 131 OP2 DC B 105 -0.326 11.664 9.172 1.00 0.00 O ATOM 132 O5' DC B 105 -0.980 13.908 8.277 1.00 0.00 O ATOM 133 C5' DC B 105 -1.328 15.292 8.386 1.00 0.00 C ATOM 134 C4' DC B 105 -1.438 15.967 7.011 1.00 0.00 C ATOM 135 O4' DC B 105 -0.142 16.100 6.377 1.00 0.00 O ATOM 136 C3' DC B 105 -2.338 15.161 6.066 1.00 0.00 C ATOM 137 O3' DC B 105 -3.431 15.975 5.626 1.00 0.00 O ATOM 138 C2' DC B 105 -1.466 14.768 4.899 1.00 0.00 C ATOM 139 C1' DC B 105 -0.183 15.575 5.026 1.00 0.00 C ATOM 140 N1 DC B 105 1.030 14.756 4.747 1.00 0.00 N ATOM 141 C2 DC B 105 1.878 15.154 3.716 1.00 0.00 C ATOM 142 O2 DC B 105 1.582 16.121 3.016 1.00 0.00 O ATOM 143 N3 DC B 105 3.028 14.452 3.513 1.00 0.00 N ATOM 144 C4 DC B 105 3.337 13.402 4.285 1.00 0.00 C ATOM 145 N4 DC B 105 4.478 12.745 4.070 1.00 0.00 N ATOM 146 C5 DC B 105 2.467 12.986 5.340 1.00 0.00 C ATOM 147 C6 DC B 105 1.329 13.688 5.528 1.00 0.00 C ATOM 0 H5' DC B 105 -0.578 15.809 8.985 1.00 0.00 H new ATOM 0 H5'' DC B 105 -2.277 15.387 8.914 1.00 0.00 H new ATOM 0 H4' DC B 105 -1.866 16.953 7.190 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.761 14.283 6.555 1.00 0.00 H new ATOM 0 H2' DC B 105 -1.255 13.699 4.916 1.00 0.00 H new ATOM 0 H2'' DC B 105 -1.965 14.980 3.953 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.182 16.377 4.288 1.00 0.00 H new ATOM 0 H41 DC B 105 4.723 11.944 4.652 1.00 0.00 H new ATOM 0 H42 DC B 105 5.106 13.044 3.323 1.00 0.00 H new ATOM 0 H5 DC B 105 2.711 12.140 5.965 1.00 0.00 H new ATOM 0 H6 DC B 105 0.647 13.395 6.312 1.00 0.00 H new ATOM 159 P DA B 106 -4.549 15.400 4.621 1.00 0.00 P ATOM 160 OP1 DA B 106 -5.802 16.157 4.843 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.554 13.925 4.733 1.00 0.00 O ATOM 162 O5' DA B 106 -3.984 15.790 3.161 1.00 0.00 O ATOM 163 C5' DA B 106 -3.814 17.164 2.795 1.00 0.00 C ATOM 164 C4' DA B 106 -3.268 17.318 1.369 1.00 0.00 C ATOM 165 O4' DA B 106 -1.883 16.908 1.279 1.00 0.00 O ATOM 166 C3' DA B 106 -4.079 16.485 0.372 1.00 0.00 C ATOM 167 O3' DA B 106 -4.652 17.318 -0.627 1.00 0.00 O ATOM 168 C2' DA B 106 -3.083 15.534 -0.267 1.00 0.00 C ATOM 169 C1' DA B 106 -1.700 15.971 0.190 1.00 0.00 C ATOM 170 N9 DA B 106 -0.906 14.818 0.630 1.00 0.00 N ATOM 171 C8 DA B 106 -1.200 13.946 1.611 1.00 0.00 C ATOM 172 N7 DA B 106 -0.295 13.052 1.858 1.00 0.00 N ATOM 173 C5 DA B 106 0.701 13.358 0.933 1.00 0.00 C ATOM 174 C6 DA B 106 1.944 12.781 0.657 1.00 0.00 C ATOM 175 N6 DA B 106 2.434 11.743 1.336 1.00 0.00 N ATOM 176 N1 DA B 106 2.671 13.322 -0.333 1.00 0.00 N ATOM 177 C2 DA B 106 2.207 14.372 -1.011 1.00 0.00 C ATOM 178 N3 DA B 106 1.046 15.001 -0.826 1.00 0.00 N ATOM 179 C4 DA B 106 0.337 14.433 0.172 1.00 0.00 C ATOM 0 H5' DA B 106 -3.133 17.644 3.497 1.00 0.00 H new ATOM 0 H5'' DA B 106 -4.770 17.681 2.874 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.350 18.377 1.122 1.00 0.00 H new ATOM 0 H3' DA B 106 -4.896 15.959 0.866 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.282 14.506 0.035 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.159 15.568 -1.354 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.158 16.438 -0.633 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.130 13.988 2.158 1.00 0.00 H new ATOM 0 H61 DA B 106 3.348 11.360 1.093 1.00 0.00 H new ATOM 0 H62 DA B 106 1.895 11.332 2.098 1.00 0.00 H new ATOM 0 H2 DA B 106 2.841 14.755 -1.797 1.00 0.00 H new ATOM 191 P DG B 107 -5.555 16.663 -1.777 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.437 17.714 -2.334 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.135 15.404 -1.260 1.00 0.00 O ATOM 194 O5' DG B 107 -4.442 16.297 -2.872 1.00 0.00 O ATOM 195 C5' DG B 107 -3.653 17.324 -3.463 1.00 0.00 C ATOM 196 C4' DG B 107 -2.647 16.756 -4.461 1.00 0.00 C ATOM 197 O4' DG B 107 -1.584 16.024 -3.798 1.00 0.00 O ATOM 198 C3' DG B 107 -3.323 15.806 -5.453 1.00 0.00 C ATOM 199 O3' DG B 107 -3.162 16.302 -6.783 1.00 0.00 O ATOM 200 C2' DG B 107 -2.603 14.488 -5.292 1.00 0.00 C ATOM 201 C1' DG B 107 -1.343 14.786 -4.501 1.00 0.00 C ATOM 202 N9 DG B 107 -0.986 13.685 -3.574 1.00 0.00 N ATOM 203 C8 DG B 107 -1.678 13.179 -2.501 1.00 0.00 C ATOM 204 N7 DG B 107 -1.074 12.245 -1.854 1.00 0.00 N ATOM 205 C5 DG B 107 0.122 12.093 -2.530 1.00 0.00 C ATOM 206 C6 DG B 107 1.185 11.205 -2.263 1.00 0.00 C ATOM 207 O6 DG B 107 1.270 10.389 -1.353 1.00 0.00 O ATOM 208 N1 DG B 107 2.217 11.351 -3.176 1.00 0.00 N ATOM 209 C2 DG B 107 2.227 12.246 -4.222 1.00 0.00 C ATOM 210 N2 DG B 107 3.313 12.219 -5.001 1.00 0.00 N ATOM 211 N3 DG B 107 1.218 13.098 -4.479 1.00 0.00 N ATOM 212 C4 DG B 107 0.198 12.964 -3.589 1.00 0.00 C ATOM 0 H5' DG B 107 -3.123 17.871 -2.683 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.303 18.038 -3.968 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.228 17.613 -4.988 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.393 15.707 -5.270 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.228 13.764 -4.769 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.360 14.056 -6.263 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.487 14.878 -5.169 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.657 13.539 -2.221 1.00 0.00 H new ATOM 0 H1 DG B 107 3.033 10.749 -3.064 1.00 0.00 H new ATOM 0 H21 DG B 107 3.387 12.855 -5.795 1.00 0.00 H new ATOM 0 H22 DG B 107 4.067 11.562 -4.802 1.00 0.00 H new ATOM 224 P DA B 108 -3.765 15.519 -8.050 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.163 16.519 -9.067 1.00 0.00 O ATOM 226 OP2 DA B 108 -4.760 14.540 -7.557 1.00 0.00 O ATOM 227 O5' DA B 108 -2.492 14.707 -8.615 1.00 0.00 O ATOM 228 C5' DA B 108 -1.333 15.429 -9.042 1.00 0.00 C ATOM 229 C4' DA B 108 -0.211 14.513 -9.552 1.00 0.00 C ATOM 230 O4' DA B 108 0.403 13.763 -8.469 1.00 0.00 O ATOM 231 C3' DA B 108 -0.738 13.505 -10.579 1.00 0.00 C ATOM 232 O3' DA B 108 0.052 13.584 -11.771 1.00 0.00 O ATOM 233 C2' DA B 108 -0.585 12.151 -9.924 1.00 0.00 C ATOM 234 C1' DA B 108 0.382 12.344 -8.766 1.00 0.00 C ATOM 235 N9 DA B 108 -0.005 11.558 -7.570 1.00 0.00 N ATOM 236 C8 DA B 108 -1.174 11.585 -6.866 1.00 0.00 C ATOM 237 N7 DA B 108 -1.186 10.877 -5.779 1.00 0.00 N ATOM 238 C5 DA B 108 0.088 10.321 -5.751 1.00 0.00 C ATOM 239 C6 DA B 108 0.721 9.463 -4.848 1.00 0.00 C ATOM 240 N6 DA B 108 0.158 9.058 -3.719 1.00 0.00 N ATOM 241 N1 DA B 108 1.977 9.091 -5.118 1.00 0.00 N ATOM 242 C2 DA B 108 2.590 9.539 -6.205 1.00 0.00 C ATOM 243 N3 DA B 108 2.091 10.365 -7.130 1.00 0.00 N ATOM 244 C4 DA B 108 0.818 10.719 -6.835 1.00 0.00 C ATOM 0 H5' DA B 108 -0.957 16.027 -8.212 1.00 0.00 H new ATOM 0 H5'' DA B 108 -1.615 16.124 -9.833 1.00 0.00 H new ATOM 0 H4' DA B 108 0.528 15.168 -10.014 1.00 0.00 H new ATOM 0 H3' DA B 108 -1.774 13.695 -10.861 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.547 11.780 -9.570 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.201 11.417 -10.633 1.00 0.00 H new ATOM 0 H1' DA B 108 1.372 11.983 -9.047 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.030 12.157 -7.192 1.00 0.00 H new ATOM 0 H61 DA B 108 0.663 8.431 -3.093 1.00 0.00 H new ATOM 0 H62 DA B 108 -0.781 9.374 -3.475 1.00 0.00 H new ATOM 0 H2 DA B 108 3.603 9.199 -6.360 1.00 0.00 H new ATOM 256 P DT B 109 -0.242 12.650 -13.049 1.00 0.00 P ATOM 257 OP1 DT B 109 0.066 13.425 -14.273 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.583 12.047 -12.879 1.00 0.00 O ATOM 259 O5' DT B 109 0.857 11.484 -12.904 1.00 0.00 O ATOM 260 C5' DT B 109 2.247 11.821 -12.905 1.00 0.00 C ATOM 261 C4' DT B 109 3.144 10.588 -12.758 1.00 0.00 C ATOM 262 O4' DT B 109 3.039 10.038 -11.421 1.00 0.00 O ATOM 263 C3' DT B 109 2.773 9.482 -13.758 1.00 0.00 C ATOM 264 O3' DT B 109 3.887 9.195 -14.599 1.00 0.00 O ATOM 265 C2' DT B 109 2.447 8.265 -12.920 1.00 0.00 C ATOM 266 C1' DT B 109 2.813 8.613 -11.481 1.00 0.00 C ATOM 267 N1 DT B 109 1.741 8.202 -10.534 1.00 0.00 N ATOM 268 C2 DT B 109 2.054 7.293 -9.531 1.00 0.00 C ATOM 269 O2 DT B 109 3.177 6.808 -9.417 1.00 0.00 O ATOM 270 N3 DT B 109 1.028 6.968 -8.665 1.00 0.00 N ATOM 271 C4 DT B 109 -0.259 7.466 -8.704 1.00 0.00 C ATOM 272 O4 DT B 109 -1.093 7.113 -7.877 1.00 0.00 O ATOM 273 C5 DT B 109 -0.498 8.404 -9.775 1.00 0.00 C ATOM 274 C7 DT B 109 -1.889 9.033 -9.905 1.00 0.00 C ATOM 275 C6 DT B 109 0.490 8.733 -10.641 1.00 0.00 C ATOM 0 H5' DT B 109 2.451 12.515 -12.090 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.493 12.338 -13.833 1.00 0.00 H new ATOM 0 H4' DT B 109 4.163 10.921 -12.957 1.00 0.00 H new ATOM 0 H3' DT B 109 1.938 9.778 -14.393 1.00 0.00 H new ATOM 0 H2' DT B 109 1.390 8.012 -13.000 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.010 7.397 -13.263 1.00 0.00 H new ATOM 0 H1' DT B 109 3.712 8.073 -11.184 1.00 0.00 H new ATOM 0 H3 DT B 109 1.241 6.297 -7.927 1.00 0.00 H new ATOM 0 H71 DT B 109 -2.640 8.337 -9.530 1.00 0.00 H new ATOM 0 H72 DT B 109 -1.927 9.955 -9.325 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.091 9.255 -10.953 1.00 0.00 H new ATOM 0 H6 DT B 109 0.282 9.433 -11.436 1.00 0.00 H new ATOM 288 P DA B 110 3.774 8.172 -15.838 1.00 0.00 P ATOM 289 OP1 DA B 110 4.861 8.476 -16.797 1.00 0.00 O ATOM 290 OP2 DA B 110 2.368 8.150 -16.297 1.00 0.00 O ATOM 291 O5' DA B 110 4.100 6.761 -15.139 1.00 0.00 O ATOM 292 C5' DA B 110 5.358 6.564 -14.496 1.00 0.00 C ATOM 293 C4' DA B 110 5.490 5.165 -13.890 1.00 0.00 C ATOM 294 O4' DA B 110 4.543 5.006 -12.793 1.00 0.00 O ATOM 295 C3' DA B 110 5.194 4.049 -14.894 1.00 0.00 C ATOM 296 O3' DA B 110 6.226 3.060 -14.792 1.00 0.00 O ATOM 297 C2' DA B 110 3.857 3.478 -14.510 1.00 0.00 C ATOM 298 C1' DA B 110 3.576 3.962 -13.097 1.00 0.00 C ATOM 299 N9 DA B 110 2.183 4.457 -12.964 1.00 0.00 N ATOM 300 C8 DA B 110 1.504 5.349 -13.747 1.00 0.00 C ATOM 301 N7 DA B 110 0.283 5.592 -13.376 1.00 0.00 N ATOM 302 C5 DA B 110 0.130 4.794 -12.244 1.00 0.00 C ATOM 303 C6 DA B 110 -0.945 4.587 -11.370 1.00 0.00 C ATOM 304 N6 DA B 110 -2.117 5.207 -11.503 1.00 0.00 N ATOM 305 N1 DA B 110 -0.762 3.728 -10.351 1.00 0.00 N ATOM 306 C2 DA B 110 0.410 3.109 -10.201 1.00 0.00 C ATOM 307 N3 DA B 110 1.491 3.233 -10.971 1.00 0.00 N ATOM 308 C4 DA B 110 1.278 4.100 -11.983 1.00 0.00 C ATOM 0 H5' DA B 110 5.483 7.310 -13.711 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.160 6.722 -15.217 1.00 0.00 H new ATOM 0 H4' DA B 110 6.524 5.081 -13.556 1.00 0.00 H new ATOM 0 H3' DA B 110 5.168 4.406 -15.924 1.00 0.00 H new ATOM 0 H2' DA B 110 3.080 3.812 -15.197 1.00 0.00 H new ATOM 0 H2'' DA B 110 3.873 2.389 -14.552 1.00 0.00 H new ATOM 0 H1' DA B 110 3.676 3.140 -12.388 1.00 0.00 H new ATOM 0 H8 DA B 110 1.951 5.818 -14.611 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.870 5.022 -10.840 1.00 0.00 H new ATOM 0 H62 DA B 110 -2.261 5.866 -12.268 1.00 0.00 H new ATOM 0 H2 DA B 110 0.492 2.433 -9.363 1.00 0.00 H new ATOM 320 P DA B 111 6.231 1.712 -15.670 1.00 0.00 P ATOM 321 OP1 DA B 111 7.633 1.354 -15.980 1.00 0.00 O ATOM 322 OP2 DA B 111 5.243 1.864 -16.762 1.00 0.00 O ATOM 323 O5' DA B 111 5.656 0.652 -14.600 1.00 0.00 O ATOM 324 C5' DA B 111 6.389 0.451 -13.384 1.00 0.00 C ATOM 325 C4' DA B 111 5.742 -0.572 -12.442 1.00 0.00 C ATOM 326 O4' DA B 111 4.483 -0.070 -11.938 1.00 0.00 O ATOM 327 C3' DA B 111 5.486 -1.921 -13.118 1.00 0.00 C ATOM 328 O3' DA B 111 6.200 -2.944 -12.422 1.00 0.00 O ATOM 329 C2' DA B 111 3.997 -2.162 -13.004 1.00 0.00 C ATOM 330 C1' DA B 111 3.423 -1.023 -12.166 1.00 0.00 C ATOM 331 N9 DA B 111 2.300 -0.383 -12.868 1.00 0.00 N ATOM 332 C8 DA B 111 2.295 0.201 -14.095 1.00 0.00 C ATOM 333 N7 DA B 111 1.151 0.683 -14.474 1.00 0.00 N ATOM 334 C5 DA B 111 0.315 0.390 -13.398 1.00 0.00 C ATOM 335 C6 DA B 111 -1.041 0.633 -13.161 1.00 0.00 C ATOM 336 N6 DA B 111 -1.830 1.265 -14.032 1.00 0.00 N ATOM 337 N1 DA B 111 -1.550 0.210 -11.992 1.00 0.00 N ATOM 338 C2 DA B 111 -0.773 -0.417 -11.107 1.00 0.00 C ATOM 339 N3 DA B 111 0.521 -0.698 -11.233 1.00 0.00 N ATOM 340 C4 DA B 111 1.006 -0.261 -12.415 1.00 0.00 C ATOM 0 H5' DA B 111 6.482 1.404 -12.864 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.399 0.121 -13.628 1.00 0.00 H new ATOM 0 H4' DA B 111 6.451 -0.725 -11.628 1.00 0.00 H new ATOM 0 H3' DA B 111 5.814 -1.927 -14.157 1.00 0.00 H new ATOM 0 H2' DA B 111 3.534 -2.186 -13.990 1.00 0.00 H new ATOM 0 H2'' DA B 111 3.797 -3.125 -12.534 1.00 0.00 H new ATOM 0 H1' DA B 111 3.044 -1.404 -11.218 1.00 0.00 H new ATOM 0 H8 DA B 111 3.180 0.260 -14.711 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.814 1.418 -13.811 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.449 1.595 -14.919 1.00 0.00 H new ATOM 0 H2 DA B 111 -1.246 -0.731 -10.188 1.00 0.00 H new ATOM 352 P DA B 112 6.186 -4.478 -12.911 1.00 0.00 P ATOM 353 OP1 DA B 112 7.391 -5.148 -12.374 1.00 0.00 O ATOM 354 OP2 DA B 112 5.913 -4.500 -14.364 1.00 0.00 O ATOM 355 O5' DA B 112 4.900 -5.061 -12.141 1.00 0.00 O ATOM 356 C5' DA B 112 4.854 -5.033 -10.717 1.00 0.00 C ATOM 357 C4' DA B 112 3.540 -5.591 -10.172 1.00 0.00 C ATOM 358 O4' DA B 112 2.446 -4.708 -10.541 1.00 0.00 O ATOM 359 C3' DA B 112 3.217 -6.976 -10.736 1.00 0.00 C ATOM 360 O3' DA B 112 2.851 -7.846 -9.660 1.00 0.00 O ATOM 361 C2' DA B 112 2.051 -6.778 -11.666 1.00 0.00 C ATOM 362 C1' DA B 112 1.460 -5.419 -11.329 1.00 0.00 C ATOM 363 N9 DA B 112 1.094 -4.668 -12.553 1.00 0.00 N ATOM 364 C8 DA B 112 1.832 -4.420 -13.676 1.00 0.00 C ATOM 365 N7 DA B 112 1.231 -3.718 -14.587 1.00 0.00 N ATOM 366 C5 DA B 112 -0.021 -3.480 -14.028 1.00 0.00 C ATOM 367 C6 DA B 112 -1.146 -2.786 -14.487 1.00 0.00 C ATOM 368 N6 DA B 112 -1.185 -2.160 -15.663 1.00 0.00 N ATOM 369 N1 DA B 112 -2.220 -2.746 -13.680 1.00 0.00 N ATOM 370 C2 DA B 112 -2.190 -3.351 -12.493 1.00 0.00 C ATOM 371 N3 DA B 112 -1.177 -4.032 -11.964 1.00 0.00 N ATOM 372 C4 DA B 112 -0.116 -4.055 -12.793 1.00 0.00 C ATOM 0 H5' DA B 112 4.983 -4.007 -10.371 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.687 -5.612 -10.317 1.00 0.00 H new ATOM 0 H4' DA B 112 3.655 -5.665 -9.091 1.00 0.00 H new ATOM 0 H3' DA B 112 4.066 -7.420 -11.256 1.00 0.00 H new ATOM 0 H2' DA B 112 2.374 -6.814 -12.707 1.00 0.00 H new ATOM 0 H2'' DA B 112 1.311 -7.567 -11.534 1.00 0.00 H new ATOM 0 H1' DA B 112 0.536 -5.535 -10.763 1.00 0.00 H new ATOM 0 H8 DA B 112 2.842 -4.782 -13.797 1.00 0.00 H new ATOM 0 H61 DA B 112 -2.031 -1.668 -15.951 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.369 -2.173 -16.275 1.00 0.00 H new ATOM 0 H2 DA B 112 -3.086 -3.281 -11.895 1.00 0.00 H new ATOM 384 P DC B 113 2.449 -9.384 -9.906 1.00 0.00 P ATOM 385 OP1 DC B 113 2.922 -10.174 -8.747 1.00 0.00 O ATOM 386 OP2 DC B 113 2.867 -9.760 -11.275 1.00 0.00 O ATOM 387 O5' DC B 113 0.836 -9.348 -9.864 1.00 0.00 O ATOM 388 C5' DC B 113 0.159 -8.897 -8.684 1.00 0.00 C ATOM 389 C4' DC B 113 -1.370 -8.936 -8.838 1.00 0.00 C ATOM 390 O4' DC B 113 -1.842 -7.917 -9.750 1.00 0.00 O ATOM 391 C3' DC B 113 -1.844 -10.294 -9.363 1.00 0.00 C ATOM 392 O3' DC B 113 -2.747 -10.901 -8.446 1.00 0.00 O ATOM 393 C2' DC B 113 -2.576 -10.001 -10.653 1.00 0.00 C ATOM 394 C1' DC B 113 -2.705 -8.493 -10.760 1.00 0.00 C ATOM 395 N1 DC B 113 -2.313 -7.995 -12.102 1.00 0.00 N ATOM 396 C2 DC B 113 -3.243 -7.276 -12.850 1.00 0.00 C ATOM 397 O2 DC B 113 -4.407 -7.184 -12.463 1.00 0.00 O ATOM 398 N3 DC B 113 -2.830 -6.698 -14.009 1.00 0.00 N ATOM 399 C4 DC B 113 -1.561 -6.816 -14.422 1.00 0.00 C ATOM 400 N4 DC B 113 -1.185 -6.208 -15.548 1.00 0.00 N ATOM 401 C5 DC B 113 -0.606 -7.564 -13.661 1.00 0.00 C ATOM 402 C6 DC B 113 -1.035 -8.139 -12.520 1.00 0.00 C ATOM 0 H5' DC B 113 0.473 -7.879 -8.454 1.00 0.00 H new ATOM 0 H5'' DC B 113 0.453 -9.519 -7.839 1.00 0.00 H new ATOM 0 H4' DC B 113 -1.779 -8.757 -7.844 1.00 0.00 H new ATOM 0 H3' DC B 113 -1.003 -10.974 -9.502 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.029 -10.402 -11.506 1.00 0.00 H new ATOM 0 H2'' DC B 113 -3.559 -10.473 -10.654 1.00 0.00 H new ATOM 0 H1' DC B 113 -3.746 -8.206 -10.610 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.222 -6.289 -15.874 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.860 -5.662 -16.083 1.00 0.00 H new ATOM 0 H5 DC B 113 0.418 -7.664 -13.989 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.346 -8.725 -11.929 1.00 0.00 H new ATOM 414 P DA B 114 -3.357 -12.355 -8.755 1.00 0.00 P ATOM 415 OP1 DA B 114 -3.765 -12.967 -7.471 1.00 0.00 O ATOM 416 OP2 DA B 114 -2.418 -13.069 -9.649 1.00 0.00 O ATOM 417 O5' DA B 114 -4.687 -11.998 -9.595 1.00 0.00 O ATOM 418 C5' DA B 114 -5.716 -11.195 -9.016 1.00 0.00 C ATOM 419 C4' DA B 114 -6.871 -10.942 -9.996 1.00 0.00 C ATOM 420 O4' DA B 114 -6.455 -10.051 -11.072 1.00 0.00 O ATOM 421 C3' DA B 114 -7.368 -12.244 -10.638 1.00 0.00 C ATOM 422 O3' DA B 114 -8.790 -12.335 -10.528 1.00 0.00 O ATOM 423 C2' DA B 114 -6.968 -12.148 -12.091 1.00 0.00 C ATOM 424 C1' DA B 114 -6.671 -10.683 -12.359 1.00 0.00 C ATOM 425 N9 DA B 114 -5.508 -10.511 -13.253 1.00 0.00 N ATOM 426 C8 DA B 114 -4.259 -11.009 -13.109 1.00 0.00 C ATOM 427 N7 DA B 114 -3.406 -10.654 -14.021 1.00 0.00 N ATOM 428 C5 DA B 114 -4.163 -9.841 -14.859 1.00 0.00 C ATOM 429 C6 DA B 114 -3.852 -9.141 -16.030 1.00 0.00 C ATOM 430 N6 DA B 114 -2.636 -9.139 -16.575 1.00 0.00 N ATOM 431 N1 DA B 114 -4.838 -8.439 -16.615 1.00 0.00 N ATOM 432 C2 DA B 114 -6.058 -8.424 -16.080 1.00 0.00 C ATOM 433 N3 DA B 114 -6.460 -9.047 -14.969 1.00 0.00 N ATOM 434 C4 DA B 114 -5.449 -9.746 -14.404 1.00 0.00 C ATOM 0 H5' DA B 114 -5.295 -10.241 -8.698 1.00 0.00 H new ATOM 0 H5'' DA B 114 -6.100 -11.687 -8.123 1.00 0.00 H new ATOM 0 H4' DA B 114 -7.673 -10.490 -9.413 1.00 0.00 H new ATOM 0 H3' DA B 114 -6.946 -13.125 -10.153 1.00 0.00 H new ATOM 0 H2' DA B 114 -6.093 -12.765 -12.294 1.00 0.00 H new ATOM 0 H2'' DA B 114 -7.768 -12.507 -12.738 1.00 0.00 H new ATOM 0 H1' DA B 114 -7.509 -10.217 -12.878 1.00 0.00 H new ATOM 0 H8 DA B 114 -3.989 -11.659 -12.290 1.00 0.00 H new ATOM 0 H61 DA B 114 -2.461 -8.612 -17.431 1.00 0.00 H new ATOM 0 H62 DA B 114 -1.880 -9.665 -16.137 1.00 0.00 H new ATOM 0 H2 DA B 114 -6.804 -7.844 -16.602 1.00 0.00 H new ATOM 446 P DT B 115 -9.600 -13.600 -11.114 1.00 0.00 P ATOM 447 OP1 DT B 115 -10.870 -13.726 -10.366 1.00 0.00 O ATOM 448 OP2 DT B 115 -8.670 -14.750 -11.194 1.00 0.00 O ATOM 449 O5' DT B 115 -9.942 -13.119 -12.617 1.00 0.00 O ATOM 450 C5' DT B 115 -10.726 -11.940 -12.819 1.00 0.00 C ATOM 451 C4' DT B 115 -10.820 -11.535 -14.296 1.00 0.00 C ATOM 452 O4' DT B 115 -9.543 -11.039 -14.770 1.00 0.00 O ATOM 453 C3' DT B 115 -11.229 -12.706 -15.201 1.00 0.00 C ATOM 454 O3' DT B 115 -12.516 -12.469 -15.765 1.00 0.00 O ATOM 455 C2' DT B 115 -10.199 -12.743 -16.311 1.00 0.00 C ATOM 456 C1' DT B 115 -9.279 -11.544 -16.095 1.00 0.00 C ATOM 457 N1 DT B 115 -7.846 -11.920 -16.262 1.00 0.00 N ATOM 458 C2 DT B 115 -7.101 -11.271 -17.238 1.00 0.00 C ATOM 459 O2 DT B 115 -7.585 -10.401 -17.959 1.00 0.00 O ATOM 460 N3 DT B 115 -5.779 -11.656 -17.350 1.00 0.00 N ATOM 461 C4 DT B 115 -5.139 -12.614 -16.589 1.00 0.00 C ATOM 462 O4 DT B 115 -3.949 -12.870 -16.777 1.00 0.00 O ATOM 463 C5 DT B 115 -5.990 -13.237 -15.599 1.00 0.00 C ATOM 464 C7 DT B 115 -5.405 -14.318 -14.685 1.00 0.00 C ATOM 465 C6 DT B 115 -7.287 -12.877 -15.472 1.00 0.00 C ATOM 0 H5' DT B 115 -10.292 -11.119 -12.249 1.00 0.00 H new ATOM 0 H5'' DT B 115 -11.730 -12.105 -12.428 1.00 0.00 H new ATOM 0 H4' DT B 115 -11.585 -10.760 -14.348 1.00 0.00 H new ATOM 0 H3' DT B 115 -11.274 -13.641 -14.643 1.00 0.00 H new ATOM 0 H2' DT B 115 -9.634 -13.675 -16.284 1.00 0.00 H new ATOM 0 H2'' DT B 115 -10.680 -12.691 -17.288 1.00 0.00 H new ATOM 0 H1' DT B 115 -9.476 -10.774 -16.840 1.00 0.00 H new ATOM 0 H3 DT B 115 -5.222 -11.187 -18.064 1.00 0.00 H new ATOM 0 H71 DT B 115 -4.610 -14.847 -15.210 1.00 0.00 H new ATOM 0 H72 DT B 115 -5.000 -13.854 -13.786 1.00 0.00 H new ATOM 0 H73 DT B 115 -6.188 -15.023 -14.408 1.00 0.00 H new ATOM 0 H6 DT B 115 -7.896 -13.362 -14.723 1.00 0.00 H new ATOM 478 P DT B 116 -13.221 -13.571 -16.703 1.00 0.00 P ATOM 479 OP1 DT B 116 -14.684 -13.353 -16.650 1.00 0.00 O ATOM 480 OP2 DT B 116 -12.659 -14.896 -16.362 1.00 0.00 O ATOM 481 O5' DT B 116 -12.703 -13.167 -18.173 1.00 0.00 O ATOM 482 C5' DT B 116 -12.988 -11.879 -18.719 1.00 0.00 C ATOM 483 C4' DT B 116 -12.330 -11.691 -20.089 1.00 0.00 C ATOM 484 O4' DT B 116 -10.888 -11.636 -19.957 1.00 0.00 O ATOM 485 C3' DT B 116 -12.670 -12.839 -21.048 1.00 0.00 C ATOM 486 O3' DT B 116 -13.538 -12.387 -22.091 1.00 0.00 O ATOM 487 C2' DT B 116 -11.348 -13.301 -21.622 1.00 0.00 C ATOM 488 C1' DT B 116 -10.259 -12.463 -20.959 1.00 0.00 C ATOM 489 N1 DT B 116 -9.220 -13.341 -20.358 1.00 0.00 N ATOM 490 C2 DT B 116 -7.930 -13.275 -20.862 1.00 0.00 C ATOM 491 O2 DT B 116 -7.626 -12.519 -21.782 1.00 0.00 O ATOM 492 N3 DT B 116 -7.007 -14.112 -20.274 1.00 0.00 N ATOM 493 C4 DT B 116 -7.248 -15.000 -19.241 1.00 0.00 C ATOM 494 O4 DT B 116 -6.347 -15.700 -18.791 1.00 0.00 O ATOM 495 C5 DT B 116 -8.614 -15.004 -18.778 1.00 0.00 C ATOM 496 C7 DT B 116 -9.003 -15.951 -17.637 1.00 0.00 C ATOM 497 C6 DT B 116 -9.540 -14.191 -19.340 1.00 0.00 C ATOM 0 H5' DT B 116 -12.635 -11.107 -18.036 1.00 0.00 H new ATOM 0 H5'' DT B 116 -14.067 -11.753 -18.812 1.00 0.00 H new ATOM 0 H4' DT B 116 -12.716 -10.755 -20.494 1.00 0.00 H new ATOM 0 H3' DT B 116 -13.190 -13.647 -20.533 1.00 0.00 H new ATOM 0 H2' DT B 116 -11.192 -14.362 -21.426 1.00 0.00 H new ATOM 0 H2'' DT B 116 -11.330 -13.171 -22.704 1.00 0.00 H new ATOM 0 HO3' DT B 116 -13.742 -13.133 -22.693 1.00 0.00 H new ATOM 0 H1' DT B 116 -9.759 -11.834 -21.695 1.00 0.00 H new ATOM 0 H3 DT B 116 -6.054 -14.073 -20.635 1.00 0.00 H new ATOM 0 H71 DT B 116 -9.818 -15.512 -17.061 1.00 0.00 H new ATOM 0 H72 DT B 116 -9.325 -16.906 -18.051 1.00 0.00 H new ATOM 0 H73 DT B 116 -8.143 -16.109 -16.986 1.00 0.00 H new ATOM 0 H6 DT B 116 -10.556 -14.216 -18.974 1.00 0.00 H new TER 511 DT B 116 ATOM 512 O5' DA C 117 2.335 -13.478 -21.436 1.00 0.00 O ATOM 513 C5' DA C 117 3.077 -13.624 -22.651 1.00 0.00 C ATOM 514 C4' DA C 117 2.323 -13.041 -23.847 1.00 0.00 C ATOM 515 O4' DA C 117 1.169 -13.854 -24.138 1.00 0.00 O ATOM 516 C3' DA C 117 1.828 -11.623 -23.566 1.00 0.00 C ATOM 517 O3' DA C 117 1.996 -10.812 -24.728 1.00 0.00 O ATOM 518 C2' DA C 117 0.360 -11.783 -23.239 1.00 0.00 C ATOM 519 C1' DA C 117 -0.039 -13.169 -23.739 1.00 0.00 C ATOM 520 N9 DA C 117 -0.733 -13.929 -22.690 1.00 0.00 N ATOM 521 C8 DA C 117 -0.232 -14.886 -21.868 1.00 0.00 C ATOM 522 N7 DA C 117 -1.084 -15.404 -21.036 1.00 0.00 N ATOM 523 C5 DA C 117 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1.00 0.00 H new ATOM 0 H2 DA C 117 -4.955 -12.520 -22.704 1.00 0.00 H new ATOM 542 P DA C 118 2.191 -9.221 -24.606 1.00 0.00 P ATOM 543 OP1 DA C 118 2.907 -8.754 -25.814 1.00 0.00 O ATOM 544 OP2 DA C 118 2.745 -8.928 -23.266 1.00 0.00 O ATOM 545 O5' DA C 118 0.688 -8.645 -24.665 1.00 0.00 O ATOM 546 C5' DA C 118 -0.129 -8.893 -25.811 1.00 0.00 C ATOM 547 C4' DA C 118 -1.522 -8.267 -25.678 1.00 0.00 C ATOM 548 O4' DA C 118 -2.300 -8.959 -24.670 1.00 0.00 O ATOM 549 C3' DA C 118 -1.435 -6.794 -25.264 1.00 0.00 C ATOM 550 O3' DA C 118 -2.302 -5.996 -26.076 1.00 0.00 O ATOM 551 C2' DA C 118 -1.895 -6.751 -23.831 1.00 0.00 C ATOM 552 C1' DA C 118 -2.569 -8.082 -23.551 1.00 0.00 C ATOM 553 N9 DA C 118 -2.078 -8.672 -22.301 1.00 0.00 N ATOM 554 C8 DA C 118 -0.806 -8.988 -21.974 1.00 0.00 C ATOM 555 N7 DA C 118 -0.660 -9.606 -20.837 1.00 0.00 N ATOM 556 C5 DA C 118 -1.970 -9.700 -20.365 1.00 0.00 C ATOM 557 C6 DA C 118 -2.528 -10.247 -19.200 1.00 0.00 C ATOM 558 N6 DA C 118 -1.804 -10.862 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DT C 119 -4.813 -5.872 -25.372 1.00 0.00 H new ATOM 0 H5'' DT C 119 -5.265 -4.307 -26.020 1.00 0.00 H new ATOM 0 H4' DT C 119 -6.894 -4.884 -24.455 1.00 0.00 H new ATOM 0 H3' DT C 119 -5.283 -2.559 -23.952 1.00 0.00 H new ATOM 0 H2' DT C 119 -4.665 -2.952 -21.759 1.00 0.00 H new ATOM 0 H2'' DT C 119 -6.363 -2.763 -21.371 1.00 0.00 H new ATOM 0 H1' DT C 119 -6.697 -5.037 -21.145 1.00 0.00 H new ATOM 0 H3 DT C 119 -4.363 -6.589 -17.714 1.00 0.00 H new ATOM 0 H71 DT C 119 -0.331 -5.162 -19.619 1.00 0.00 H new ATOM 0 H72 DT C 119 -0.578 -6.214 -21.033 1.00 0.00 H new ATOM 0 H73 DT C 119 -0.827 -4.458 -21.176 1.00 0.00 H new ATOM 0 H6 DT C 119 -3.094 -4.681 -21.935 1.00 0.00 H new ATOM 606 P DG C 120 -7.647 -1.190 -23.124 1.00 0.00 P ATOM 607 OP1 DG C 120 -8.729 -0.657 -23.982 1.00 0.00 O ATOM 608 OP2 DG C 120 -6.381 -0.439 -22.975 1.00 0.00 O ATOM 609 O5' DG C 120 -8.256 -1.464 -21.654 1.00 0.00 O ATOM 610 C5' DG C 120 -9.423 -2.286 -21.514 1.00 0.00 C ATOM 611 C4' DG C 120 -9.820 -2.506 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0.00 H new ATOM 0 H1' DT C 121 -8.536 -2.478 -12.945 1.00 0.00 H new ATOM 0 H3 DT C 121 -4.249 -2.512 -14.086 1.00 0.00 H new ATOM 0 H71 DT C 121 -6.762 0.694 -17.618 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.636 1.630 -16.606 1.00 0.00 H new ATOM 0 H73 DT C 121 -5.013 0.374 -17.703 1.00 0.00 H new ATOM 0 H6 DT C 121 -8.036 -0.066 -15.741 1.00 0.00 H new ATOM 671 P DT C 122 -11.527 0.691 -11.216 1.00 0.00 P ATOM 672 OP1 DT C 122 -12.825 0.681 -10.505 1.00 0.00 O ATOM 673 OP2 DT C 122 -11.040 1.943 -11.838 1.00 0.00 O ATOM 674 O5' DT C 122 -10.394 0.157 -10.212 1.00 0.00 O ATOM 675 C5' DT C 122 -10.556 -1.108 -9.570 1.00 0.00 C ATOM 676 C4' DT C 122 -9.377 -1.438 -8.658 1.00 0.00 C ATOM 677 O4' DT C 122 -8.186 -1.650 -9.449 1.00 0.00 O ATOM 678 C3' DT C 122 -9.090 -0.313 -7.655 1.00 0.00 C ATOM 679 O3' DT C 122 -9.208 -0.801 -6.326 1.00 0.00 O ATOM 680 C2' DT C 122 -7.662 0.102 -7.906 1.00 0.00 C ATOM 681 C1' DT C 122 -7.086 -0.879 -8.923 1.00 0.00 C ATOM 682 N1 DT C 122 -6.366 -0.161 -10.014 1.00 0.00 N ATOM 683 C2 DT C 122 -5.020 -0.448 -10.205 1.00 0.00 C ATOM 684 O2 DT C 122 -4.421 -1.262 -9.506 1.00 0.00 O ATOM 685 N3 DT C 122 -4.391 0.237 -11.226 1.00 0.00 N ATOM 686 C4 DT C 122 -4.971 1.170 -12.064 1.00 0.00 C ATOM 687 O4 DT C 122 -4.311 1.717 -12.944 1.00 0.00 O ATOM 688 C5 DT C 122 -6.371 1.412 -11.796 1.00 0.00 C ATOM 689 C7 DT C 122 -7.121 2.439 -12.653 1.00 0.00 C ATOM 690 C6 DT C 122 -7.014 0.755 -10.801 1.00 0.00 C ATOM 0 H5' DT C 122 -10.661 -1.887 -10.325 1.00 0.00 H new ATOM 0 H5'' DT C 122 -11.477 -1.104 -8.986 1.00 0.00 H new ATOM 0 H4' DT C 122 -9.645 -2.339 -8.107 1.00 0.00 H new ATOM 0 H3' DT C 122 -9.789 0.515 -7.774 1.00 0.00 H new ATOM 0 H2' DT C 122 -7.618 1.123 -8.286 1.00 0.00 H new ATOM 0 H2'' DT C 122 -7.086 0.082 -6.981 1.00 0.00 H new ATOM 0 H1' DT C 122 -6.357 -1.534 -8.446 1.00 0.00 H new ATOM 0 H3 DT C 122 -3.403 0.035 -11.376 1.00 0.00 H new ATOM 0 H71 DT C 122 -8.171 2.154 -12.727 1.00 0.00 H new ATOM 0 H72 DT C 122 -7.044 3.424 -12.192 1.00 0.00 H new ATOM 0 H73 DT C 122 -6.683 2.470 -13.650 1.00 0.00 H new ATOM 0 H6 DT C 122 -8.060 0.957 -10.624 1.00 0.00 H new ATOM 703 P DT C 123 -8.974 0.155 -5.053 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.682 -0.432 -3.891 1.00 0.00 O ATOM 705 OP2 DT C 123 -9.253 1.549 -5.460 1.00 0.00 O ATOM 706 O5' DT C 123 -7.391 0.014 -4.807 1.00 0.00 O ATOM 707 C5' DT C 123 -6.824 -1.271 -4.578 1.00 0.00 C ATOM 708 C4' DT C 123 -5.311 -1.211 -4.364 1.00 0.00 C ATOM 709 O4' DT C 123 -4.628 -0.830 -5.590 1.00 0.00 O ATOM 710 C3' DT C 123 -4.909 -0.198 -3.292 1.00 0.00 C ATOM 711 O3' DT C 123 -4.070 -0.874 -2.347 1.00 0.00 O ATOM 712 C2' DT C 123 -4.169 0.897 -4.011 1.00 0.00 C ATOM 713 C1' DT C 123 -3.753 0.303 -5.345 1.00 0.00 C ATOM 714 N1 DT C 123 -3.810 1.292 -6.476 1.00 0.00 N ATOM 715 C2 DT C 123 -2.656 1.467 -7.238 1.00 0.00 C ATOM 716 O2 DT C 123 -1.605 0.892 -6.969 1.00 0.00 O ATOM 717 N3 DT C 123 -2.753 2.332 -8.315 1.00 0.00 N ATOM 718 C4 DT C 123 -3.881 3.031 -8.698 1.00 0.00 C ATOM 719 O4 DT C 123 -3.860 3.758 -9.687 1.00 0.00 O ATOM 720 C5 DT C 123 -5.033 2.803 -7.856 1.00 0.00 C ATOM 721 C7 DT C 123 -6.338 3.534 -8.187 1.00 0.00 C ATOM 722 C6 DT C 123 -4.970 1.960 -6.793 1.00 0.00 C ATOM 0 H5' DT C 123 -7.043 -1.918 -5.427 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.294 -1.722 -3.704 1.00 0.00 H new ATOM 0 H4' DT C 123 -5.021 -2.212 -4.045 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.756 0.225 -2.751 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.804 1.771 -4.153 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.300 1.223 -3.439 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.708 -0.004 -5.297 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.913 2.465 -8.878 1.00 0.00 H new ATOM 0 H71 DT C 123 -6.110 4.489 -8.659 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.933 2.925 -8.868 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.900 3.708 -7.270 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.849 1.811 -6.184 1.00 0.00 H new ATOM 735 P DA C 124 -3.428 -0.162 -1.055 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.468 -1.124 0.069 1.00 0.00 O ATOM 737 OP2 DA C 124 -4.045 1.175 -0.906 1.00 0.00 O ATOM 738 O5' DA C 124 -1.883 0.037 -1.494 1.00 0.00 O ATOM 739 C5' DA C 124 -1.118 -1.133 -1.819 1.00 0.00 C ATOM 740 C4' DA C 124 0.352 -0.848 -2.170 1.00 0.00 C ATOM 741 O4' DA C 124 0.431 -0.046 -3.374 1.00 0.00 O ATOM 742 C3' DA C 124 1.057 -0.073 -1.052 1.00 0.00 C ATOM 743 O3' DA C 124 2.364 -0.607 -0.805 1.00 0.00 O ATOM 744 C2' DA C 124 1.176 1.336 -1.567 1.00 0.00 C ATOM 745 C1' DA C 124 0.952 1.270 -3.071 1.00 0.00 C ATOM 746 N9 DA C 124 0.026 2.313 -3.523 1.00 0.00 N ATOM 747 C8 DA C 124 -1.206 2.593 -3.057 1.00 0.00 C ATOM 748 N7 DA C 124 -1.839 3.540 -3.678 1.00 0.00 N ATOM 749 C5 DA C 124 -0.929 3.929 -4.656 1.00 0.00 C ATOM 750 C6 DA C 124 -0.978 4.896 -5.661 1.00 0.00 C ATOM 751 N6 DA C 124 -2.040 5.676 -5.863 1.00 0.00 N ATOM 752 N1 DA C 124 0.105 5.019 -6.455 1.00 0.00 N ATOM 753 C2 DA C 124 1.168 4.231 -6.265 1.00 0.00 C ATOM 754 N3 DA C 124 1.311 3.285 -5.344 1.00 0.00 N ATOM 755 C4 DA C 124 0.214 3.188 -4.567 1.00 0.00 C ATOM 0 H5' DA C 124 -1.589 -1.639 -2.661 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.151 -1.821 -0.974 1.00 0.00 H new ATOM 0 H4' DA C 124 0.839 -1.813 -2.310 1.00 0.00 H new ATOM 0 H3' DA C 124 0.504 -0.133 -0.115 1.00 0.00 H new ATOM 0 H2' DA C 124 0.439 1.985 -1.094 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.158 1.750 -1.339 1.00 0.00 H new ATOM 0 H1' DA C 124 1.892 1.442 -3.595 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.639 2.064 -2.221 1.00 0.00 H new ATOM 0 H61 DA C 124 -2.029 6.369 -6.611 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.864 5.580 -5.269 1.00 0.00 H new ATOM 0 H2 DA C 124 2.002 4.380 -6.934 1.00 0.00 H new ATOM 767 P DT C 125 3.310 0.038 0.331 1.00 0.00 P ATOM 768 OP1 DT C 125 4.271 -0.997 0.772 1.00 0.00 O ATOM 769 OP2 DT C 125 2.444 0.713 1.324 1.00 0.00 O ATOM 770 O5' DT C 125 4.123 1.169 -0.485 1.00 0.00 O ATOM 771 C5' DT C 125 5.093 0.779 -1.458 1.00 0.00 C ATOM 772 C4' DT C 125 5.726 1.973 -2.185 1.00 0.00 C ATOM 773 O4' DT C 125 4.759 2.599 -3.068 1.00 0.00 O ATOM 774 C3' DT C 125 6.244 3.066 -1.233 1.00 0.00 C ATOM 775 O3' DT C 125 7.649 3.263 -1.432 1.00 0.00 O ATOM 776 C2' DT C 125 5.496 4.318 -1.605 1.00 0.00 C ATOM 777 C1' DT C 125 4.866 4.035 -2.959 1.00 0.00 C ATOM 778 N1 DT C 125 3.544 4.717 -3.146 1.00 0.00 N ATOM 779 C2 DT C 125 3.378 5.511 -4.278 1.00 0.00 C ATOM 780 O2 DT C 125 4.274 5.656 -5.107 1.00 0.00 O ATOM 781 N3 DT C 125 2.149 6.124 -4.422 1.00 0.00 N ATOM 782 C4 DT C 125 1.079 6.019 -3.552 1.00 0.00 C ATOM 783 O4 DT C 125 0.007 6.562 -3.799 1.00 0.00 O ATOM 784 C5 DT C 125 1.335 5.188 -2.406 1.00 0.00 C ATOM 785 C7 DT C 125 0.245 5.043 -1.347 1.00 0.00 C ATOM 786 C6 DT C 125 2.528 4.572 -2.240 1.00 0.00 C ATOM 0 H5' DT C 125 4.622 0.123 -2.190 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.877 0.201 -0.970 1.00 0.00 H new ATOM 0 H4' DT C 125 6.571 1.559 -2.736 1.00 0.00 H new ATOM 0 H3' DT C 125 6.091 2.796 -0.188 1.00 0.00 H new ATOM 0 H2' DT C 125 4.735 4.555 -0.861 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.168 5.174 -1.657 1.00 0.00 H new ATOM 0 H1' DT C 125 5.490 4.442 -3.755 1.00 0.00 H new ATOM 0 H3 DT C 125 2.018 6.709 -5.247 1.00 0.00 H new ATOM 0 H71 DT C 125 0.323 4.063 -0.876 1.00 0.00 H new ATOM 0 H72 DT C 125 0.366 5.819 -0.592 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.734 5.143 -1.816 1.00 0.00 H new ATOM 0 H6 DT C 125 2.683 3.950 -1.371 1.00 0.00 H new ATOM 799 P DC C 126 8.480 4.358 -0.585 1.00 0.00 P ATOM 800 OP1 DC C 126 9.846 3.843 -0.344 1.00 0.00 O ATOM 801 OP2 DC C 126 7.644 4.789 0.558 1.00 0.00 O ATOM 802 O5' DC C 126 8.583 5.594 -1.625 1.00 0.00 O ATOM 803 C5' DC C 126 9.236 5.396 -2.889 1.00 0.00 C ATOM 804 C4' DC C 126 9.256 6.658 -3.770 1.00 0.00 C ATOM 805 O4' DC C 126 7.927 6.960 -4.266 1.00 0.00 O ATOM 806 C3' DC C 126 9.772 7.884 -3.007 1.00 0.00 C ATOM 807 O3' DC C 126 10.974 8.375 -3.602 1.00 0.00 O ATOM 808 C2' DC C 126 8.685 8.931 -3.126 1.00 0.00 C ATOM 809 C1' DC C 126 7.559 8.327 -3.965 1.00 0.00 C ATOM 810 N1 DC C 126 6.275 8.362 -3.215 1.00 0.00 N ATOM 811 C2 DC C 126 5.187 9.046 -3.763 1.00 0.00 C ATOM 812 O2 DC C 126 5.304 9.661 -4.823 1.00 0.00 O ATOM 813 N3 DC C 126 4.011 9.028 -3.082 1.00 0.00 N ATOM 814 C4 DC C 126 3.898 8.374 -1.920 1.00 0.00 C ATOM 815 N4 DC C 126 2.726 8.352 -1.295 1.00 0.00 N ATOM 816 C5 DC C 126 5.010 7.680 -1.355 1.00 0.00 C ATOM 817 C6 DC C 126 6.169 7.703 -2.033 1.00 0.00 C ATOM 0 H5' DC C 126 8.733 4.593 -3.428 1.00 0.00 H new ATOM 0 H5'' DC C 126 10.261 5.068 -2.713 1.00 0.00 H new ATOM 0 H4' DC C 126 9.931 6.444 -4.599 1.00 0.00 H new ATOM 0 H3' DC C 126 9.995 7.637 -1.969 1.00 0.00 H new ATOM 0 H2' DC C 126 8.318 9.217 -2.140 1.00 0.00 H new ATOM 0 H2'' DC C 126 9.072 9.835 -3.597 1.00 0.00 H new ATOM 0 H1' DC C 126 7.420 8.898 -4.883 1.00 0.00 H new ATOM 0 H41 DC C 126 2.630 7.856 -0.409 1.00 0.00 H new ATOM 0 H42 DC C 126 1.922 8.831 -1.701 1.00 0.00 H new ATOM 0 H5 DC C 126 4.922 7.155 -0.415 1.00 0.00 H new ATOM 0 H6 DC C 126 7.030 7.189 -1.632 1.00 0.00 H new ATOM 829 P DT C 127 11.850 9.503 -2.856 1.00 0.00 P ATOM 830 OP1 DT C 127 13.189 9.545 -3.484 1.00 0.00 O ATOM 831 OP2 DT C 127 11.724 9.299 -1.395 1.00 0.00 O ATOM 832 O5' DT C 127 11.071 10.853 -3.247 1.00 0.00 O ATOM 833 C5' DT C 127 11.108 11.333 -4.591 1.00 0.00 C ATOM 834 C4' DT C 127 10.304 12.623 -4.753 1.00 0.00 C ATOM 835 O4' DT C 127 8.898 12.348 -4.543 1.00 0.00 O ATOM 836 C3' DT C 127 10.729 13.709 -3.752 1.00 0.00 C ATOM 837 O3' DT C 127 11.235 14.852 -4.446 1.00 0.00 O ATOM 838 C2' DT C 127 9.468 14.080 -2.996 1.00 0.00 C ATOM 839 C1' DT C 127 8.315 13.333 -3.667 1.00 0.00 C ATOM 840 N1 DT C 127 7.413 12.698 -2.655 1.00 0.00 N ATOM 841 C2 DT C 127 6.077 13.084 -2.645 1.00 0.00 C ATOM 842 O2 DT C 127 5.632 13.906 -3.443 1.00 0.00 O ATOM 843 N3 DT C 127 5.272 12.489 -1.692 1.00 0.00 N ATOM 844 C4 DT C 127 5.671 11.556 -0.754 1.00 0.00 C ATOM 845 O4 DT C 127 4.862 11.090 0.047 1.00 0.00 O ATOM 846 C5 DT C 127 7.072 11.208 -0.824 1.00 0.00 C ATOM 847 C7 DT C 127 7.629 10.199 0.187 1.00 0.00 C ATOM 848 C6 DT C 127 7.887 11.773 -1.753 1.00 0.00 C ATOM 0 H5' DT C 127 10.711 10.570 -5.261 1.00 0.00 H new ATOM 0 H5'' DT C 127 12.142 11.509 -4.886 1.00 0.00 H new ATOM 0 H4' DT C 127 10.493 12.989 -5.762 1.00 0.00 H new ATOM 0 H3' DT C 127 11.516 13.357 -3.086 1.00 0.00 H new ATOM 0 H2' DT C 127 9.551 13.800 -1.946 1.00 0.00 H new ATOM 0 H2'' DT C 127 9.301 15.157 -3.027 1.00 0.00 H new ATOM 0 H1' DT C 127 7.693 14.025 -4.234 1.00 0.00 H new ATOM 0 H3 DT C 127 4.290 12.765 -1.680 1.00 0.00 H new ATOM 0 H71 DT C 127 7.067 10.269 1.118 1.00 0.00 H new ATOM 0 H72 DT C 127 7.538 9.191 -0.217 1.00 0.00 H new ATOM 0 H73 DT C 127 8.679 10.419 0.380 1.00 0.00 H new ATOM 0 H6 DT C 127 8.929 11.490 -1.784 1.00 0.00 H new ATOM 861 P DG C 128 11.916 16.077 -3.649 1.00 0.00 P ATOM 862 OP1 DG C 128 12.828 16.778 -4.581 1.00 0.00 O ATOM 863 OP2 DG C 128 12.432 15.563 -2.361 1.00 0.00 O ATOM 864 O5' DG C 128 10.665 17.044 -3.348 1.00 0.00 O ATOM 865 C5' DG C 128 9.922 17.595 -4.434 1.00 0.00 C ATOM 866 C4' DG C 128 8.746 18.454 -3.960 1.00 0.00 C ATOM 867 O4' DG C 128 7.720 17.615 -3.382 1.00 0.00 O ATOM 868 C3' DG C 128 9.160 19.494 -2.914 1.00 0.00 C ATOM 869 O3' DG C 128 8.869 20.801 -3.410 1.00 0.00 O ATOM 870 C2' DG C 128 8.327 19.197 -1.683 1.00 0.00 C ATOM 871 C1' DG C 128 7.375 18.063 -2.053 1.00 0.00 C ATOM 872 N9 DG C 128 7.477 16.959 -1.087 1.00 0.00 N ATOM 873 C8 DG C 128 8.573 16.238 -0.753 1.00 0.00 C ATOM 874 N7 DG C 128 8.380 15.304 0.130 1.00 0.00 N ATOM 875 C5 DG C 128 7.022 15.417 0.417 1.00 0.00 C ATOM 876 C6 DG C 128 6.215 14.666 1.316 1.00 0.00 C ATOM 877 O6 DG C 128 6.550 13.734 2.042 1.00 0.00 O ATOM 878 N1 DG C 128 4.899 15.105 1.307 1.00 0.00 N ATOM 879 C2 DG C 128 4.413 16.138 0.532 1.00 0.00 C ATOM 880 N2 DG C 128 3.117 16.418 0.675 1.00 0.00 N ATOM 881 N3 DG C 128 5.167 16.845 -0.319 1.00 0.00 N ATOM 882 C4 DG C 128 6.456 16.432 -0.323 1.00 0.00 C ATOM 0 H5' DG C 128 9.548 16.786 -5.062 1.00 0.00 H new ATOM 0 H5'' DG C 128 10.584 18.200 -5.054 1.00 0.00 H new ATOM 0 H4' DG C 128 8.373 18.980 -4.839 1.00 0.00 H new ATOM 0 H3' DG C 128 10.225 19.452 -2.687 1.00 0.00 H new ATOM 0 H2' DG C 128 8.964 18.909 -0.847 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.771 20.081 -1.371 1.00 0.00 H new ATOM 0 H1' DG C 128 6.344 18.415 -2.030 1.00 0.00 H new ATOM 0 H8 DG C 128 9.542 16.426 -1.191 1.00 0.00 H new ATOM 0 H1 DG C 128 4.239 14.627 1.921 1.00 0.00 H new ATOM 0 H21 DG C 128 2.695 17.171 0.131 1.00 0.00 H new ATOM 0 H22 DG C 128 2.548 15.880 1.328 1.00 0.00 H new ATOM 894 P DC C 129 9.377 22.131 -2.661 1.00 0.00 P ATOM 895 OP1 DC C 129 9.449 23.222 -3.658 1.00 0.00 O ATOM 896 OP2 DC C 129 10.573 21.782 -1.860 1.00 0.00 O ATOM 897 O5' DC C 129 8.171 22.455 -1.649 1.00 0.00 O ATOM 898 C5' DC C 129 6.858 22.707 -2.151 1.00 0.00 C ATOM 899 C4' DC C 129 5.868 22.993 -1.019 1.00 0.00 C ATOM 900 O4' DC C 129 5.670 21.810 -0.200 1.00 0.00 O ATOM 901 C3' DC C 129 6.370 24.119 -0.104 1.00 0.00 C ATOM 902 O3' DC C 129 5.392 25.165 -0.020 1.00 0.00 O ATOM 903 C2' DC C 129 6.579 23.485 1.246 1.00 0.00 C ATOM 904 C1' DC C 129 5.934 22.113 1.191 1.00 0.00 C ATOM 905 N1 DC C 129 6.800 21.068 1.819 1.00 0.00 N ATOM 906 C2 DC C 129 6.288 20.369 2.915 1.00 0.00 C ATOM 907 O2 DC C 129 5.177 20.652 3.361 1.00 0.00 O ATOM 908 N3 DC C 129 7.043 19.383 3.468 1.00 0.00 N ATOM 909 C4 DC C 129 8.252 19.086 2.983 1.00 0.00 C ATOM 910 N4 DC C 129 8.961 18.113 3.557 1.00 0.00 N ATOM 911 C5 DC C 129 8.791 19.794 1.861 1.00 0.00 C ATOM 912 C6 DC C 129 8.039 20.773 1.313 1.00 0.00 C ATOM 0 H5' DC C 129 6.516 21.846 -2.726 1.00 0.00 H new ATOM 0 H5'' DC C 129 6.886 23.556 -2.834 1.00 0.00 H new ATOM 0 H4' DC C 129 4.931 23.293 -1.489 1.00 0.00 H new ATOM 0 H3' DC C 129 7.288 24.568 -0.483 1.00 0.00 H new ATOM 0 H2' DC C 129 7.642 23.404 1.474 1.00 0.00 H new ATOM 0 H2'' DC C 129 6.130 24.092 2.032 1.00 0.00 H new ATOM 0 H1' DC C 129 5.005 22.117 1.761 1.00 0.00 H new ATOM 0 H41 DC C 129 9.885 17.875 3.197 1.00 0.00 H new ATOM 0 H42 DC C 129 8.579 17.607 4.356 1.00 0.00 H new ATOM 0 H5 DC C 129 9.767 19.553 1.466 1.00 0.00 H new ATOM 0 H6 DC C 129 8.418 21.329 0.468 1.00 0.00 H new ATOM 924 P DA C 130 5.654 26.481 0.878 1.00 0.00 P ATOM 925 OP1 DA C 130 4.829 27.584 0.332 1.00 0.00 O ATOM 926 OP2 DA C 130 7.117 26.658 1.017 1.00 0.00 O ATOM 927 O5' DA C 130 5.056 26.072 2.325 1.00 0.00 O ATOM 928 C5' DA C 130 3.670 25.734 2.456 1.00 0.00 C ATOM 929 C4' DA C 130 3.274 25.370 3.901 1.00 0.00 C ATOM 930 O4' DA C 130 3.831 24.089 4.288 1.00 0.00 O ATOM 931 C3' DA C 130 3.749 26.419 4.919 1.00 0.00 C ATOM 932 O3' DA C 130 2.641 26.932 5.664 1.00 0.00 O ATOM 933 C2' DA C 130 4.677 25.682 5.854 1.00 0.00 C ATOM 934 C1' DA C 130 4.513 24.204 5.557 1.00 0.00 C ATOM 935 N9 DA C 130 5.812 23.520 5.526 1.00 0.00 N ATOM 936 C8 DA C 130 6.860 23.740 4.703 1.00 0.00 C ATOM 937 N7 DA C 130 7.877 22.952 4.871 1.00 0.00 N ATOM 938 C5 DA C 130 7.461 22.131 5.915 1.00 0.00 C ATOM 939 C6 DA C 130 8.076 21.073 6.585 1.00 0.00 C ATOM 940 N6 DA C 130 9.294 20.631 6.277 1.00 0.00 N ATOM 941 N1 DA C 130 7.384 20.482 7.574 1.00 0.00 N ATOM 942 C2 DA C 130 6.159 20.906 7.885 1.00 0.00 C ATOM 943 N3 DA C 130 5.485 21.898 7.309 1.00 0.00 N ATOM 944 C4 DA C 130 6.205 22.471 6.323 1.00 0.00 C ATOM 0 H5' DA C 130 3.443 24.894 1.800 1.00 0.00 H new ATOM 0 H5'' DA C 130 3.063 26.574 2.119 1.00 0.00 H new ATOM 0 H4' DA C 130 2.185 25.330 3.910 1.00 0.00 H new ATOM 0 H3' DA C 130 4.235 27.260 4.424 1.00 0.00 H new ATOM 0 H2' DA C 130 5.710 25.995 5.700 1.00 0.00 H new ATOM 0 H2'' DA C 130 4.430 25.897 6.894 1.00 0.00 H new ATOM 0 H1' DA C 130 3.931 23.724 6.343 1.00 0.00 H new ATOM 0 H8 DA C 130 6.852 24.519 3.955 1.00 0.00 H new ATOM 0 H61 DA C 130 9.701 19.854 6.797 1.00 0.00 H new ATOM 0 H62 DA C 130 9.820 21.070 5.521 1.00 0.00 H new ATOM 0 H2 DA C 130 5.660 20.389 8.691 1.00 0.00 H new ATOM 956 P DA C 131 2.861 28.060 6.794 1.00 0.00 P ATOM 957 OP1 DA C 131 1.590 28.799 6.959 1.00 0.00 O ATOM 958 OP2 DA C 131 4.103 28.797 6.474 1.00 0.00 O ATOM 959 O5' DA C 131 3.120 27.201 8.139 1.00 0.00 O ATOM 960 C5' DA C 131 2.080 26.402 8.710 1.00 0.00 C ATOM 961 C4' DA C 131 2.541 25.673 9.980 1.00 0.00 C ATOM 962 O4' DA C 131 3.483 24.617 9.665 1.00 0.00 O ATOM 963 C3' DA C 131 3.220 26.629 10.968 1.00 0.00 C ATOM 964 O3' DA C 131 2.455 26.747 12.169 1.00 0.00 O ATOM 965 C2' DA C 131 4.556 26.003 11.291 1.00 0.00 C ATOM 966 C1' DA C 131 4.617 24.671 10.562 1.00 0.00 C ATOM 967 N9 DA C 131 5.888 24.520 9.833 1.00 0.00 N ATOM 968 C8 DA C 131 6.399 25.303 8.857 1.00 0.00 C ATOM 969 N7 DA C 131 7.556 24.930 8.391 1.00 0.00 N ATOM 970 C5 DA C 131 7.836 23.786 9.136 1.00 0.00 C ATOM 971 C6 DA C 131 8.918 22.894 9.144 1.00 0.00 C ATOM 972 N6 DA C 131 9.985 23.031 8.356 1.00 0.00 N ATOM 973 N1 DA C 131 8.867 21.867 10.012 1.00 0.00 N ATOM 974 C2 DA C 131 7.819 21.727 10.825 1.00 0.00 C ATOM 975 N3 DA C 131 6.749 22.513 10.898 1.00 0.00 N ATOM 976 C4 DA C 131 6.825 23.530 10.017 1.00 0.00 C ATOM 0 H5' DA C 131 1.741 25.671 7.976 1.00 0.00 H new ATOM 0 H5'' DA C 131 1.225 27.036 8.947 1.00 0.00 H new ATOM 0 H4' DA C 131 1.643 25.254 10.434 1.00 0.00 H new ATOM 0 H3' DA C 131 3.318 27.627 10.540 1.00 0.00 H new ATOM 0 H2' DA C 131 5.372 26.653 10.974 1.00 0.00 H new ATOM 0 H2'' DA C 131 4.663 25.858 12.366 1.00 0.00 H new ATOM 0 H1' DA C 131 4.573 23.846 11.273 1.00 0.00 H new ATOM 0 H8 DA C 131 5.883 26.178 8.489 1.00 0.00 H new ATOM 0 H61 DA C 131 10.744 22.352 8.403 1.00 0.00 H new ATOM 0 H62 DA C 131 10.042 23.815 7.706 1.00 0.00 H new ATOM 0 H2 DA C 131 7.842 20.883 11.498 1.00 0.00 H new ATOM 988 P DC C 132 2.952 27.721 13.350 1.00 0.00 P ATOM 989 OP1 DC C 132 1.772 28.106 14.155 1.00 0.00 O ATOM 990 OP2 DC C 132 3.813 28.768 12.759 1.00 0.00 O ATOM 991 O5' DC C 132 3.876 26.754 14.249 1.00 0.00 O ATOM 992 C5' DC C 132 3.359 25.514 14.738 1.00 0.00 C ATOM 993 C4' DC C 132 4.434 24.674 15.436 1.00 0.00 C ATOM 994 O4' DC C 132 5.384 24.147 14.482 1.00 0.00 O ATOM 995 C3' DC C 132 5.215 25.482 16.480 1.00 0.00 C ATOM 996 O3' DC C 132 4.892 25.046 17.803 1.00 0.00 O ATOM 997 C2' DC C 132 6.679 25.224 16.180 1.00 0.00 C ATOM 998 C1' DC C 132 6.728 24.270 15.000 1.00 0.00 C ATOM 999 N1 DC C 132 7.658 24.769 13.952 1.00 0.00 N ATOM 1000 C2 DC C 132 8.831 24.062 13.708 1.00 0.00 C ATOM 1001 O2 DC C 132 9.085 23.048 14.355 1.00 0.00 O ATOM 1002 N3 DC C 132 9.677 24.528 12.747 1.00 0.00 N ATOM 1003 C4 DC C 132 9.386 25.634 12.053 1.00 0.00 C ATOM 1004 N4 DC C 132 10.232 26.061 11.115 1.00 0.00 N ATOM 1005 C5 DC C 132 8.181 26.361 12.302 1.00 0.00 C ATOM 1006 C6 DC C 132 7.356 25.892 13.256 1.00 0.00 C ATOM 0 H5' DC C 132 2.938 24.946 13.909 1.00 0.00 H new ATOM 0 H5'' DC C 132 2.545 25.711 15.435 1.00 0.00 H new ATOM 0 H4' DC C 132 3.903 23.862 15.933 1.00 0.00 H new ATOM 0 H3' DC C 132 4.971 26.543 16.430 1.00 0.00 H new ATOM 0 H2' DC C 132 7.195 26.155 15.945 1.00 0.00 H new ATOM 0 H2'' DC C 132 7.180 24.792 17.046 1.00 0.00 H new ATOM 0 HO3' DC C 132 5.401 25.572 18.454 1.00 0.00 H new ATOM 0 H1' DC C 132 7.101 23.296 15.317 1.00 0.00 H new ATOM 0 H41 DC C 132 10.018 26.903 10.581 1.00 0.00 H new ATOM 0 H42 DC C 132 11.093 25.545 10.932 1.00 0.00 H new ATOM 0 H5 DC C 132 7.941 27.254 11.745 1.00 0.00 H new ATOM 0 H6 DC C 132 6.438 26.419 13.471 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -4.639 13.260 13.374 1.00 0.00 N ATOM 1021 CA LYS A 1 -5.787 13.264 12.424 1.00 0.00 C ATOM 1022 C LYS A 1 -6.116 11.819 12.020 1.00 0.00 C ATOM 1023 O LYS A 1 -7.125 11.554 11.397 1.00 0.00 O ATOM 1024 CB LYS A 1 -5.422 14.081 11.177 1.00 0.00 C ATOM 1025 CG LYS A 1 -5.021 15.511 11.575 1.00 0.00 C ATOM 1026 CD LYS A 1 -6.240 16.288 12.097 1.00 0.00 C ATOM 1027 CE LYS A 1 -5.941 17.791 12.067 1.00 0.00 C ATOM 1028 NZ LYS A 1 -7.101 18.544 12.628 1.00 0.00 N ATOM 0 H1 LYS A 1 -4.573 14.186 13.843 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.783 12.519 14.089 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.758 13.072 12.854 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.656 13.714 12.903 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.600 13.600 10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.270 14.111 10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.248 15.478 12.343 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.594 16.028 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.114 16.068 11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.476 15.974 13.114 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.042 18.005 12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.746 18.113 11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.896 19.563 12.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.949 18.349 12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.267 18.245 13.610 1.00 0.00 H new ATOM 1044 N ARG A 2 -5.277 10.880 12.381 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.549 9.449 12.034 1.00 0.00 C ATOM 1046 C ARG A 2 -6.307 8.784 13.188 1.00 0.00 C ATOM 1047 O ARG A 2 -6.779 7.669 13.083 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.220 8.720 11.795 1.00 0.00 C ATOM 1049 CG ARG A 2 -3.470 9.373 10.600 1.00 0.00 C ATOM 1050 CD ARG A 2 -2.879 8.308 9.668 1.00 0.00 C ATOM 1051 NE ARG A 2 -2.434 8.974 8.407 1.00 0.00 N ATOM 1052 CZ ARG A 2 -1.713 8.331 7.529 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -1.362 7.093 7.742 1.00 0.00 N ATOM 1054 NH2 ARG A 2 -1.351 8.931 6.428 1.00 0.00 N ATOM 0 H ARG A 2 -4.415 11.042 12.901 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.153 9.398 11.128 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.603 8.766 12.692 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.405 7.666 11.588 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.156 10.009 10.041 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.673 10.015 10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.038 7.808 10.149 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.623 7.542 9.449 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.697 9.943 8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.651 6.621 8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.799 6.597 7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.631 9.897 6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.788 8.434 5.738 1.00 0.00 H new ATOM 1068 N ALA A 3 -6.412 9.470 14.293 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.119 8.900 15.480 1.00 0.00 C ATOM 1070 C ALA A 3 -8.635 8.867 15.253 1.00 0.00 C ATOM 1071 O ALA A 3 -9.271 9.890 15.089 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.821 9.772 16.702 1.00 0.00 C ATOM 0 H ALA A 3 -6.036 10.409 14.427 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.767 7.881 15.638 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.333 9.364 17.574 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.747 9.786 16.886 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.171 10.788 16.518 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.222 7.698 15.267 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.700 7.591 15.082 1.00 0.00 C ATOM 1080 C GLY A 4 -11.058 7.648 13.596 1.00 0.00 C ATOM 1081 O GLY A 4 -12.177 7.373 13.211 1.00 0.00 O ATOM 0 H GLY A 4 -8.739 6.809 15.399 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.060 6.657 15.514 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.199 8.401 15.614 1.00 0.00 H new ATOM 1085 N THR A 5 -10.133 8.026 12.761 1.00 0.00 N ATOM 1086 CA THR A 5 -10.447 8.125 11.306 1.00 0.00 C ATOM 1087 C THR A 5 -10.852 6.758 10.744 1.00 0.00 C ATOM 1088 O THR A 5 -10.077 5.821 10.748 1.00 0.00 O ATOM 1089 CB THR A 5 -9.215 8.622 10.553 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.629 9.705 11.264 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.620 9.090 9.150 1.00 0.00 C ATOM 0 H THR A 5 -9.177 8.270 13.019 1.00 0.00 H new ATOM 0 HA THR A 5 -11.276 8.822 11.179 1.00 0.00 H new ATOM 0 HB THR A 5 -8.493 7.810 10.467 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.048 10.216 10.662 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.738 9.444 8.616 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.066 8.259 8.604 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.344 9.900 9.232 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.051 6.658 10.219 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.527 5.379 9.595 1.00 0.00 C ATOM 1101 C VAL A 6 -12.911 5.701 8.151 1.00 0.00 C ATOM 1102 O VAL A 6 -13.451 6.755 7.878 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.746 4.838 10.345 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.340 4.430 11.762 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.829 5.915 10.412 1.00 0.00 C ATOM 0 H VAL A 6 -12.730 7.419 10.196 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.746 4.620 9.636 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.135 3.968 9.817 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.210 4.045 12.293 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.574 3.656 11.712 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.946 5.297 12.292 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.696 5.527 10.947 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.441 6.789 10.936 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.123 6.199 9.401 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.639 4.837 7.216 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.999 5.154 5.806 1.00 0.00 C ATOM 1117 C CYS A 7 -14.511 5.204 5.632 1.00 0.00 C ATOM 1118 O CYS A 7 -15.210 4.230 5.828 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.410 4.087 4.888 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.862 4.448 3.173 1.00 0.00 S ATOM 0 H CYS A 7 -12.188 3.934 7.363 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.593 6.132 5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.325 4.062 4.992 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.780 3.102 5.173 1.00 0.00 H new ATOM 1125 N SER A 8 -15.016 6.343 5.254 1.00 0.00 N ATOM 1126 CA SER A 8 -16.478 6.485 5.050 1.00 0.00 C ATOM 1127 C SER A 8 -16.961 5.513 3.971 1.00 0.00 C ATOM 1128 O SER A 8 -18.035 4.954 4.070 1.00 0.00 O ATOM 1129 CB SER A 8 -16.796 7.914 4.604 1.00 0.00 C ATOM 1130 OG SER A 8 -16.367 8.828 5.606 1.00 0.00 O ATOM 0 H SER A 8 -14.472 7.187 5.077 1.00 0.00 H new ATOM 0 HA SER A 8 -16.984 6.263 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.297 8.132 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.867 8.023 4.431 1.00 0.00 H new ATOM 0 HG SER A 8 -15.388 8.877 5.606 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.205 5.340 2.913 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.676 4.442 1.817 1.00 0.00 C ATOM 1138 C ASN A 9 -16.541 2.954 2.165 1.00 0.00 C ATOM 1139 O ASN A 9 -17.412 2.185 1.811 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.871 4.741 0.548 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.320 6.084 -0.036 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.404 6.549 0.252 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.532 6.730 -0.851 1.00 0.00 N ATOM 0 H ASN A 9 -15.295 5.776 2.764 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.737 4.640 1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.806 4.770 0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.017 3.947 -0.184 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.827 7.624 -1.245 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.621 6.341 -1.094 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.479 2.508 2.827 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.369 1.033 3.133 1.00 0.00 C ATOM 1152 C CYS A 10 -15.068 0.777 4.612 1.00 0.00 C ATOM 1153 O CYS A 10 -14.723 -0.326 4.987 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.309 0.356 2.240 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.631 0.755 2.797 1.00 0.00 S ATOM 0 H CYS A 10 -14.707 3.086 3.159 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.340 0.590 2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.453 -0.724 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.439 0.680 1.207 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.239 1.755 5.465 1.00 0.00 N ATOM 1161 CA GLN A 11 -15.022 1.543 6.930 1.00 0.00 C ATOM 1162 C GLN A 11 -13.619 1.027 7.269 1.00 0.00 C ATOM 1163 O GLN A 11 -13.326 0.779 8.422 1.00 0.00 O ATOM 1164 CB GLN A 11 -16.072 0.553 7.454 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.450 1.221 7.456 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.880 1.522 6.019 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.679 0.716 5.131 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -18.467 2.656 5.750 1.00 0.00 N ATOM 0 H GLN A 11 -15.522 2.700 5.207 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.122 2.515 7.413 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.090 -0.339 6.828 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.811 0.230 8.462 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -18.180 0.569 7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.417 2.143 8.036 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -18.636 3.332 6.495 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.757 2.866 4.795 1.00 0.00 H new ATOM 1177 N THR A 12 -12.740 0.854 6.323 1.00 0.00 N ATOM 1178 CA THR A 12 -11.387 0.351 6.702 1.00 0.00 C ATOM 1179 C THR A 12 -10.700 1.397 7.588 1.00 0.00 C ATOM 1180 O THR A 12 -10.947 2.577 7.448 1.00 0.00 O ATOM 1181 CB THR A 12 -10.554 0.066 5.436 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.431 -0.730 5.786 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.070 1.359 4.771 1.00 0.00 C ATOM 0 H THR A 12 -12.890 1.032 5.330 1.00 0.00 H new ATOM 0 HA THR A 12 -11.478 -0.582 7.258 1.00 0.00 H new ATOM 0 HB THR A 12 -11.190 -0.460 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.899 -0.915 4.984 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.487 1.115 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.930 1.965 4.486 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.448 1.918 5.471 1.00 0.00 H new ATOM 1191 N SER A 13 -9.835 0.978 8.495 1.00 0.00 N ATOM 1192 CA SER A 13 -9.128 1.970 9.388 1.00 0.00 C ATOM 1193 C SER A 13 -7.644 2.015 9.016 1.00 0.00 C ATOM 1194 O SER A 13 -6.883 2.807 9.535 1.00 0.00 O ATOM 1195 CB SER A 13 -9.301 1.569 10.854 1.00 0.00 C ATOM 1196 OG SER A 13 -8.858 0.229 11.026 1.00 0.00 O ATOM 0 H SER A 13 -9.590 0.001 8.655 1.00 0.00 H new ATOM 0 HA SER A 13 -9.561 2.961 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.730 2.239 11.497 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.347 1.660 11.148 1.00 0.00 H new ATOM 0 HG SER A 13 -8.965 -0.033 11.964 1.00 0.00 H new ATOM 1202 N THR A 14 -7.240 1.180 8.098 1.00 0.00 N ATOM 1203 CA THR A 14 -5.817 1.161 7.643 1.00 0.00 C ATOM 1204 C THR A 14 -5.763 1.770 6.244 1.00 0.00 C ATOM 1205 O THR A 14 -6.415 1.296 5.335 1.00 0.00 O ATOM 1206 CB THR A 14 -5.328 -0.289 7.586 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.239 -1.063 6.819 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.244 -0.857 9.005 1.00 0.00 C ATOM 0 H THR A 14 -7.843 0.499 7.636 1.00 0.00 H new ATOM 0 HA THR A 14 -5.186 1.726 8.328 1.00 0.00 H new ATOM 0 HB THR A 14 -4.341 -0.323 7.124 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.158 -2.007 7.070 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.896 -1.889 8.964 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.546 -0.262 9.594 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.230 -0.825 9.469 1.00 0.00 H new ATOM 1216 N THR A 15 -4.995 2.813 6.053 1.00 0.00 N ATOM 1217 CA THR A 15 -4.922 3.439 4.696 1.00 0.00 C ATOM 1218 C THR A 15 -3.522 3.991 4.456 1.00 0.00 C ATOM 1219 O THR A 15 -2.853 4.429 5.371 1.00 0.00 O ATOM 1220 CB THR A 15 -5.910 4.606 4.622 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.319 5.756 5.213 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.175 4.254 5.395 1.00 0.00 C ATOM 0 H THR A 15 -4.420 3.255 6.770 1.00 0.00 H new ATOM 0 HA THR A 15 -5.162 2.684 3.947 1.00 0.00 H new ATOM 0 HB THR A 15 -6.158 4.804 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.942 6.149 5.859 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.877 5.086 5.341 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.632 3.365 4.960 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.922 4.059 6.437 1.00 0.00 H new ATOM 1230 N THR A 16 -3.081 4.008 3.228 1.00 0.00 N ATOM 1231 CA THR A 16 -1.740 4.575 2.950 1.00 0.00 C ATOM 1232 C THR A 16 -1.848 6.097 3.060 1.00 0.00 C ATOM 1233 O THR A 16 -0.978 6.756 3.594 1.00 0.00 O ATOM 1234 CB THR A 16 -1.274 4.189 1.542 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.109 4.816 0.580 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.330 2.670 1.354 1.00 0.00 C ATOM 0 H THR A 16 -3.588 3.657 2.416 1.00 0.00 H new ATOM 0 HA THR A 16 -1.014 4.185 3.663 1.00 0.00 H new ATOM 0 HB THR A 16 -0.244 4.520 1.411 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.158 4.258 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.996 2.415 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.681 2.189 2.085 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.354 2.324 1.494 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.929 6.663 2.569 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.108 8.147 2.663 1.00 0.00 C ATOM 1246 C LEU A 17 -4.608 8.443 2.834 1.00 0.00 C ATOM 1247 O LEU A 17 -5.435 7.929 2.109 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.561 8.823 1.383 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.929 10.187 1.714 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.692 9.996 2.635 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.524 10.893 0.397 1.00 0.00 C ATOM 0 H LEU A 17 -3.690 6.163 2.110 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.558 8.543 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.819 8.177 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.368 8.956 0.663 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.653 10.806 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.254 10.968 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.000 9.511 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.046 9.375 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.076 11.860 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.803 10.276 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.408 11.040 -0.223 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.970 9.265 3.782 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.411 9.590 3.992 1.00 0.00 C ATOM 1265 C TRP A 18 -6.834 10.681 2.997 1.00 0.00 C ATOM 1266 O TRP A 18 -6.178 11.698 2.877 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.586 10.124 5.421 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.516 8.994 6.404 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.483 8.760 7.247 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.499 7.949 6.666 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.772 7.639 8.006 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.999 7.107 7.688 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.762 7.649 6.127 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.723 6.012 8.158 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.490 6.545 6.599 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.973 5.731 7.610 1.00 0.00 C ATOM 0 H TRP A 18 -4.326 9.728 4.424 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.022 8.700 3.841 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.810 10.857 5.641 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.544 10.637 5.512 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.582 9.351 7.316 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.149 7.254 8.716 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.174 8.271 5.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.318 5.387 8.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.459 6.323 6.177 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.542 4.885 7.966 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.922 10.485 2.284 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.385 11.521 1.297 1.00 0.00 C ATOM 1289 C ARG A 19 -9.706 12.124 1.781 1.00 0.00 C ATOM 1290 O ARG A 19 -10.688 11.429 1.923 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.630 10.866 -0.076 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.546 9.837 -0.370 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.184 10.519 -0.433 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.245 9.635 -1.179 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.108 10.095 -1.624 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.729 11.313 -1.359 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.344 9.325 -2.339 1.00 0.00 N ATOM 0 H ARG A 19 -8.510 9.653 2.342 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.620 12.292 1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.609 10.387 -0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.638 11.629 -0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.542 9.069 0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.755 9.336 -1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.268 11.486 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.808 10.707 0.573 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.494 8.660 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.324 11.921 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.837 11.658 -1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.635 8.370 -2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.453 9.676 -2.691 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.764 13.397 2.034 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.051 13.989 2.495 1.00 0.00 C ATOM 1313 C ARG A 20 -11.894 14.389 1.277 1.00 0.00 C ATOM 1314 O ARG A 20 -11.806 15.507 0.808 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.756 15.243 3.336 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.383 14.848 4.774 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.649 14.532 5.589 1.00 0.00 C ATOM 1318 NE ARG A 20 -11.329 14.567 7.042 1.00 0.00 N ATOM 1319 CZ ARG A 20 -12.295 14.677 7.911 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -13.532 14.752 7.501 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -12.026 14.712 9.187 1.00 0.00 N ATOM 0 H ARG A 20 -8.986 14.051 1.944 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.596 13.259 3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.941 15.808 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.629 15.896 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.725 13.979 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.830 15.659 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.431 15.257 5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.035 13.550 5.315 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.361 14.505 7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.741 14.724 6.503 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.290 14.838 8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.059 14.653 9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.783 14.798 9.866 1.00 0.00 H new ATOM 1335 N SER A 21 -12.676 13.474 0.744 1.00 0.00 N ATOM 1336 CA SER A 21 -13.521 13.757 -0.467 1.00 0.00 C ATOM 1337 C SER A 21 -14.021 15.222 -0.466 1.00 0.00 C ATOM 1338 O SER A 21 -14.068 15.862 0.564 1.00 0.00 O ATOM 1339 CB SER A 21 -14.714 12.775 -0.449 1.00 0.00 C ATOM 1340 OG SER A 21 -14.492 11.807 0.569 1.00 0.00 O ATOM 0 H SER A 21 -12.766 12.524 1.105 1.00 0.00 H new ATOM 0 HA SER A 21 -12.930 13.621 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.644 13.313 -0.263 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.817 12.287 -1.418 1.00 0.00 H new ATOM 0 HG SER A 21 -15.243 11.178 0.592 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.375 15.757 -1.620 1.00 0.00 N ATOM 1347 CA PRO A 22 -14.840 17.173 -1.703 1.00 0.00 C ATOM 1348 C PRO A 22 -16.049 17.456 -0.798 1.00 0.00 C ATOM 1349 O PRO A 22 -16.481 18.584 -0.661 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.212 17.315 -3.197 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.117 15.926 -3.852 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.344 15.005 -2.905 1.00 0.00 C ATOM 0 HA PRO A 22 -14.085 17.882 -1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.220 17.716 -3.301 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.538 18.015 -3.691 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.113 15.526 -4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.611 15.993 -4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.818 14.028 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.324 14.834 -3.249 1.00 0.00 H new ATOM 1360 N MET A 23 -16.593 16.441 -0.174 1.00 0.00 N ATOM 1361 CA MET A 23 -17.769 16.649 0.730 1.00 0.00 C ATOM 1362 C MET A 23 -17.264 16.782 2.166 1.00 0.00 C ATOM 1363 O MET A 23 -17.959 17.248 3.047 1.00 0.00 O ATOM 1364 CB MET A 23 -18.729 15.455 0.601 1.00 0.00 C ATOM 1365 CG MET A 23 -19.952 15.650 1.510 1.00 0.00 C ATOM 1366 SD MET A 23 -20.848 17.161 1.053 1.00 0.00 S ATOM 1367 CE MET A 23 -21.383 16.648 -0.598 1.00 0.00 C ATOM 0 H MET A 23 -16.274 15.475 -0.251 1.00 0.00 H new ATOM 0 HA MET A 23 -18.307 17.556 0.454 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.051 15.350 -0.435 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.212 14.534 0.869 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.615 14.788 1.428 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.633 15.710 2.551 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.416 16.956 -0.758 1.00 0.00 H new ATOM 0 HE2 MET A 23 -20.745 17.114 -1.349 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.311 15.564 -0.683 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.044 16.381 2.404 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.468 16.481 3.777 1.00 0.00 C ATOM 1379 C GLY A 24 -15.668 15.161 4.520 1.00 0.00 C ATOM 1380 O GLY A 24 -15.686 15.124 5.735 1.00 0.00 O ATOM 0 H GLY A 24 -15.418 15.986 1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.406 16.719 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.947 17.293 4.324 1.00 0.00 H new ATOM 1384 N ASP A 25 -15.807 14.068 3.811 1.00 0.00 N ATOM 1385 CA ASP A 25 -15.995 12.743 4.474 1.00 0.00 C ATOM 1386 C ASP A 25 -14.668 11.956 4.395 1.00 0.00 C ATOM 1387 O ASP A 25 -14.061 11.903 3.343 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.067 11.968 3.703 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.444 12.560 4.010 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.488 13.629 4.597 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.430 11.935 3.654 1.00 0.00 O ATOM 0 H ASP A 25 -15.798 14.038 2.791 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.292 12.877 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.868 12.018 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.041 10.915 3.983 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.200 11.347 5.471 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.916 10.582 5.410 1.00 0.00 C ATOM 1398 C PRO A 26 -13.021 9.269 4.600 1.00 0.00 C ATOM 1399 O PRO A 26 -13.923 8.476 4.792 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.651 10.288 6.901 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.970 10.486 7.663 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.880 11.371 6.803 1.00 0.00 C ATOM 0 HA PRO A 26 -12.125 11.136 4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.285 9.269 7.030 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.882 10.955 7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.446 9.525 7.859 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.786 10.954 8.630 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.894 10.975 6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.954 12.383 7.201 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.070 9.027 3.729 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.061 7.745 2.933 1.00 0.00 C ATOM 1412 C VAL A 27 -10.622 7.228 2.830 1.00 0.00 C ATOM 1413 O VAL A 27 -9.680 7.975 3.006 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.629 7.956 1.524 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.157 8.041 1.589 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.043 9.237 0.936 1.00 0.00 C ATOM 0 H VAL A 27 -11.295 9.660 3.531 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.691 7.018 3.446 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.359 7.116 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.556 8.191 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.556 7.115 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.448 8.878 2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.443 9.393 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.310 10.083 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.958 9.150 0.884 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.426 5.962 2.534 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.032 5.440 2.411 1.00 0.00 C ATOM 1428 C CYS A 28 -8.497 5.748 1.005 1.00 0.00 C ATOM 1429 O CYS A 28 -9.249 5.935 0.069 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.990 3.927 2.717 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.809 2.953 1.426 1.00 0.00 S ATOM 0 H CYS A 28 -11.165 5.277 2.375 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.391 5.934 3.141 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.953 3.605 2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.472 3.737 3.676 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.201 5.842 0.863 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.605 6.187 -0.465 1.00 0.00 C ATOM 1438 C ASN A 29 -7.187 5.300 -1.566 1.00 0.00 C ATOM 1439 O ASN A 29 -7.328 5.724 -2.694 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.089 5.964 -0.405 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.442 6.432 -1.708 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -5.063 6.409 -2.752 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.200 6.836 -1.697 1.00 0.00 N ATOM 0 H ASN A 29 -6.525 5.694 1.612 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.833 7.229 -0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.666 6.510 0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.874 4.908 -0.241 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.752 7.132 -2.564 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.678 6.856 -0.821 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.523 4.081 -1.273 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.084 3.213 -2.342 1.00 0.00 C ATOM 1452 C ALA A 30 -9.490 3.700 -2.735 1.00 0.00 C ATOM 1453 O ALA A 30 -9.764 3.949 -3.891 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.136 1.769 -1.846 1.00 0.00 C ATOM 0 H ALA A 30 -7.436 3.650 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.446 3.263 -3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.547 1.130 -2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.130 1.434 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.769 1.711 -0.960 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.385 3.834 -1.788 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.765 4.301 -2.134 1.00 0.00 C ATOM 1462 C CYS A 31 -11.692 5.658 -2.823 1.00 0.00 C ATOM 1463 O CYS A 31 -12.348 5.896 -3.800 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.613 4.480 -0.871 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.107 2.887 -0.196 1.00 0.00 S ATOM 0 H CYS A 31 -10.223 3.643 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.214 3.551 -2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.046 5.036 -0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.499 5.071 -1.104 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.920 6.557 -2.303 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.851 7.904 -2.924 1.00 0.00 C ATOM 1472 C GLY A 32 -10.557 7.781 -4.418 1.00 0.00 C ATOM 1473 O GLY A 32 -11.219 8.377 -5.242 1.00 0.00 O ATOM 0 H GLY A 32 -10.335 6.423 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.793 8.431 -2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.074 8.496 -2.440 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.560 7.028 -4.773 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.214 6.885 -6.212 1.00 0.00 C ATOM 1479 C LEU A 33 -10.315 6.117 -6.952 1.00 0.00 C ATOM 1480 O LEU A 33 -10.791 6.545 -7.978 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.887 6.135 -6.317 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.803 6.899 -5.539 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.557 6.017 -5.408 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.443 8.207 -6.267 1.00 0.00 C ATOM 0 H LEU A 33 -8.968 6.504 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.123 7.870 -6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.994 5.127 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.596 6.034 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.183 7.146 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.786 6.556 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.813 5.102 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.184 5.765 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.674 8.737 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.069 7.977 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.331 8.834 -6.348 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.738 4.996 -6.446 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.817 4.231 -7.138 1.00 0.00 C ATOM 1498 C TYR A 34 -13.080 5.093 -7.230 1.00 0.00 C ATOM 1499 O TYR A 34 -13.752 5.131 -8.241 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.107 2.952 -6.346 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.365 2.279 -6.853 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.618 2.691 -6.382 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -13.277 1.233 -7.777 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.780 2.058 -6.836 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -14.442 0.600 -8.233 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.692 1.013 -7.762 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.839 0.387 -8.208 1.00 0.00 O ATOM 0 H TYR A 34 -10.387 4.574 -5.586 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.498 3.968 -8.147 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.263 2.267 -6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.218 3.191 -5.288 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.687 3.498 -5.668 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.311 0.913 -8.139 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.746 2.376 -6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.374 -0.207 -8.948 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.600 -0.316 -8.848 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.402 5.776 -6.171 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.613 6.640 -6.145 1.00 0.00 C ATOM 1519 C TYR A 35 -14.472 7.781 -7.161 1.00 0.00 C ATOM 1520 O TYR A 35 -15.345 8.035 -7.951 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.742 7.222 -4.732 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.127 7.764 -4.506 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.162 6.898 -4.142 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.366 9.132 -4.626 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.446 7.400 -3.906 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -17.646 9.641 -4.388 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.691 8.775 -4.028 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.956 9.276 -3.793 1.00 0.00 O ATOM 0 H TYR A 35 -12.866 5.772 -5.303 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.496 6.057 -6.405 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.523 6.450 -3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.008 8.015 -4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.970 5.840 -4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -15.563 9.798 -4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -19.247 6.730 -3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -17.831 10.701 -4.481 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.952 10.248 -3.920 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.383 8.482 -7.144 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.225 9.617 -8.098 1.00 0.00 C ATOM 1540 C LYS A 36 -13.311 9.123 -9.546 1.00 0.00 C ATOM 1541 O LYS A 36 -13.911 9.770 -10.383 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.870 10.281 -7.840 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.542 11.287 -8.941 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.281 12.059 -8.541 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.066 11.114 -8.481 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.899 10.624 -7.087 1.00 0.00 N ATOM 0 H LYS A 36 -12.595 8.325 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.028 10.339 -7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.885 10.785 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.090 9.521 -7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.385 10.772 -9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.376 11.974 -9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.093 12.857 -9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.430 12.532 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.209 10.274 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.167 11.637 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.925 10.803 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.563 11.123 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.092 9.603 -7.053 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.743 7.999 -9.866 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.843 7.523 -11.274 1.00 0.00 C ATOM 1562 C LEU A 37 -14.325 7.342 -11.614 1.00 0.00 C ATOM 1563 O LEU A 37 -14.803 7.835 -12.617 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.090 6.189 -11.425 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.626 6.436 -11.840 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.985 7.540 -10.973 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.838 5.128 -11.696 1.00 0.00 C ATOM 0 H LEU A 37 -12.222 7.396 -9.229 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.395 8.247 -11.954 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.119 5.640 -10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.585 5.568 -12.171 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.603 6.770 -12.877 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.952 7.695 -11.286 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.544 8.468 -11.094 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.005 7.238 -9.926 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.801 5.294 -11.988 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.874 4.794 -10.659 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.278 4.365 -12.339 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.060 6.660 -10.773 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.520 6.470 -11.027 1.00 0.00 C ATOM 1581 C HIS A 38 -17.294 7.448 -10.140 1.00 0.00 C ATOM 1582 O HIS A 38 -17.864 8.397 -10.629 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.898 5.032 -10.671 1.00 0.00 C ATOM 1584 CG HIS A 38 -16.104 4.090 -11.536 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -16.631 3.520 -12.684 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.814 3.628 -11.446 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -15.671 2.756 -13.235 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -14.542 2.786 -12.521 1.00 0.00 N ATOM 0 H HIS A 38 -14.711 6.225 -9.919 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.759 6.656 -12.074 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.694 4.839 -9.618 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.966 4.874 -10.823 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.116 3.880 -10.661 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.797 2.187 -14.144 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -13.669 2.297 -12.720 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.300 7.174 -8.845 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.017 8.026 -7.811 1.00 0.00 C ATOM 1598 C GLN A 39 -19.222 7.251 -7.278 1.00 0.00 C ATOM 1599 O GLN A 39 -20.350 7.702 -7.324 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.472 9.381 -8.389 1.00 0.00 C ATOM 1601 CG GLN A 39 -18.919 10.303 -7.254 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.699 11.488 -7.829 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.117 12.478 -8.229 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.001 11.431 -7.882 1.00 0.00 N ATOM 0 H GLN A 39 -16.821 6.367 -8.446 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.318 8.242 -7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.656 9.842 -8.945 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.291 9.230 -9.092 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.542 9.752 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.051 10.661 -6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.489 10.601 -7.547 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.531 12.217 -8.259 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.969 6.082 -6.755 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.046 5.241 -6.182 1.00 0.00 C ATOM 1615 C VAL A 40 -19.437 4.379 -5.071 1.00 0.00 C ATOM 1616 O VAL A 40 -18.243 4.168 -5.031 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.619 4.346 -7.273 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.509 5.174 -8.205 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.472 3.734 -8.075 1.00 0.00 C ATOM 0 H VAL A 40 -18.037 5.670 -6.702 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.845 5.863 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.214 3.554 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.917 4.531 -8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.326 5.614 -7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.918 5.968 -8.662 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.877 3.092 -8.857 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.880 4.529 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.839 3.143 -7.412 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.236 3.873 -4.176 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.673 3.023 -3.081 1.00 0.00 C ATOM 1631 C ASN A 41 -19.323 1.638 -3.639 1.00 0.00 C ATOM 1632 O ASN A 41 -19.926 1.185 -4.592 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.706 2.882 -1.962 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.948 2.169 -2.503 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.003 1.811 -3.662 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.958 1.946 -1.707 1.00 0.00 N ATOM 0 H ASN A 41 -21.247 4.007 -4.151 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.772 3.490 -2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.283 2.318 -1.130 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.977 3.865 -1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.790 1.472 -2.059 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.915 2.245 -0.733 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.340 0.963 -3.073 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.932 -0.390 -3.586 1.00 0.00 C ATOM 1645 C ARG A 42 -18.007 -1.427 -2.438 1.00 0.00 C ATOM 1646 O ARG A 42 -17.820 -1.076 -1.289 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.479 -0.289 -4.086 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.526 -0.097 -2.898 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.124 0.200 -3.420 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.816 -0.738 -4.533 1.00 0.00 N ATOM 1651 CZ ARG A 42 -12.779 -0.531 -5.290 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -11.992 0.482 -5.050 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -12.521 -1.339 -6.282 1.00 0.00 N ATOM 0 H ARG A 42 -17.801 1.296 -2.273 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.595 -0.705 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.211 -1.192 -4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.382 0.546 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.873 0.722 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.514 -0.994 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.062 1.231 -3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.392 0.089 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.418 -1.544 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.191 1.109 -4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.178 0.647 -5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.133 -2.134 -6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.707 -1.175 -6.875 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.257 -2.696 -2.725 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.314 -3.731 -1.643 1.00 0.00 C ATOM 1669 C PRO A 43 -16.970 -3.875 -0.896 1.00 0.00 C ATOM 1670 O PRO A 43 -15.914 -3.636 -1.447 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.671 -5.016 -2.424 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.549 -4.716 -3.930 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.500 -3.190 -4.115 1.00 0.00 C ATOM 0 HA PRO A 43 -19.029 -3.484 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.002 -5.829 -2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.684 -5.339 -2.182 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.649 -5.177 -4.338 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.396 -5.137 -4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.703 -2.890 -4.796 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.432 -2.802 -4.525 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.011 -4.252 0.359 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.747 -4.397 1.156 1.00 0.00 C ATOM 1683 C LEU A 44 -14.931 -5.593 0.655 1.00 0.00 C ATOM 1684 O LEU A 44 -14.057 -6.089 1.337 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.110 -4.605 2.636 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.319 -3.246 3.303 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.462 -2.509 2.601 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.672 -3.443 4.783 1.00 0.00 C ATOM 0 H LEU A 44 -17.867 -4.467 0.870 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.146 -3.495 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.015 -5.206 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.316 -5.153 3.143 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.402 -2.661 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.614 -1.539 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.211 -2.365 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.376 -3.098 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.820 -2.471 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.588 -4.029 4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.859 -3.969 5.284 1.00 0.00 H new ATOM 1700 N THR A 45 -15.192 -6.046 -0.531 1.00 0.00 N ATOM 1701 CA THR A 45 -14.416 -7.191 -1.071 1.00 0.00 C ATOM 1702 C THR A 45 -12.964 -6.749 -1.268 1.00 0.00 C ATOM 1703 O THR A 45 -12.069 -7.557 -1.422 1.00 0.00 O ATOM 1704 CB THR A 45 -15.026 -7.614 -2.410 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.209 -6.466 -3.225 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.379 -8.293 -2.171 1.00 0.00 C ATOM 0 H THR A 45 -15.910 -5.674 -1.153 1.00 0.00 H new ATOM 0 HA THR A 45 -14.446 -8.035 -0.382 1.00 0.00 H new ATOM 0 HB THR A 45 -14.356 -8.315 -2.908 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.598 -6.733 -4.084 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.810 -8.592 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.238 -9.174 -1.544 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.053 -7.596 -1.672 1.00 0.00 H new ATOM 1714 N MET A 46 -12.730 -5.460 -1.263 1.00 0.00 N ATOM 1715 CA MET A 46 -11.341 -4.933 -1.449 1.00 0.00 C ATOM 1716 C MET A 46 -10.743 -4.577 -0.088 1.00 0.00 C ATOM 1717 O MET A 46 -9.596 -4.194 0.019 1.00 0.00 O ATOM 1718 CB MET A 46 -11.407 -3.670 -2.313 1.00 0.00 C ATOM 1719 CG MET A 46 -11.945 -4.031 -3.698 1.00 0.00 C ATOM 1720 SD MET A 46 -10.667 -4.910 -4.641 1.00 0.00 S ATOM 1721 CE MET A 46 -9.623 -3.487 -5.064 1.00 0.00 C ATOM 0 H MET A 46 -13.446 -4.745 -1.137 1.00 0.00 H new ATOM 0 HA MET A 46 -10.720 -5.688 -1.931 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.051 -2.927 -1.843 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.417 -3.223 -2.400 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.834 -4.655 -3.602 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.246 -3.128 -4.229 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.211 -3.623 -6.064 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.222 -2.576 -5.039 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.809 -3.406 -4.344 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.524 -4.679 0.948 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.029 -4.324 2.305 1.00 0.00 C ATOM 1733 C ARG A 47 -10.210 -5.471 2.903 1.00 0.00 C ATOM 1734 O ARG A 47 -10.673 -6.588 3.020 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.242 -4.043 3.189 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.805 -3.670 4.603 1.00 0.00 C ATOM 1737 CD ARG A 47 -13.054 -3.375 5.429 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.683 -3.183 6.858 1.00 0.00 N ATOM 1739 CZ ARG A 47 -13.539 -2.649 7.687 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -14.711 -2.267 7.258 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -13.225 -2.500 8.944 1.00 0.00 N ATOM 0 H ARG A 47 -12.493 -4.996 0.913 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.384 -3.448 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.831 -3.233 2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.886 -4.922 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.237 -4.485 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.150 -2.799 4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.549 -2.481 5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.764 -4.196 5.336 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.761 -3.468 7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.958 -2.386 6.275 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.380 -1.850 7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.310 -2.801 9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.894 -2.083 9.591 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.000 -5.183 3.311 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.123 -6.220 3.943 1.00 0.00 C ATOM 1757 C LYS A 48 -7.627 -5.654 5.273 1.00 0.00 C ATOM 1758 O LYS A 48 -7.426 -4.463 5.401 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.920 -6.517 3.044 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.095 -7.655 3.652 1.00 0.00 C ATOM 1761 CD LYS A 48 -4.874 -7.919 2.774 1.00 0.00 C ATOM 1762 CE LYS A 48 -4.140 -9.171 3.262 1.00 0.00 C ATOM 1763 NZ LYS A 48 -3.010 -9.472 2.339 1.00 0.00 N ATOM 0 H LYS A 48 -8.575 -4.259 3.232 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.682 -7.144 4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.258 -6.793 2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.304 -5.624 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.781 -7.392 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.702 -8.557 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.183 -8.049 1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.203 -7.060 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.766 -9.016 4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.827 -10.016 3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.510 -10.322 2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.379 -9.637 1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.351 -8.667 2.323 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.450 -6.483 6.270 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.987 -5.972 7.598 1.00 0.00 C ATOM 1779 C ASP A 49 -5.887 -4.921 7.418 1.00 0.00 C ATOM 1780 O ASP A 49 -6.146 -3.734 7.399 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.436 -7.135 8.424 1.00 0.00 C ATOM 1782 CG ASP A 49 -5.912 -6.608 9.761 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -6.711 -6.453 10.669 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -4.720 -6.361 9.853 1.00 0.00 O ATOM 0 H ASP A 49 -7.605 -7.490 6.223 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.833 -5.514 8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.217 -7.876 8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.635 -7.635 7.879 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.660 -5.348 7.300 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.538 -4.379 7.139 1.00 0.00 C ATOM 1791 C GLY A 50 -3.477 -3.868 5.696 1.00 0.00 C ATOM 1792 O GLY A 50 -4.364 -4.103 4.901 1.00 0.00 O ATOM 0 H GLY A 50 -4.385 -6.330 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.672 -3.541 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.595 -4.858 7.402 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.423 -3.169 5.359 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.270 -2.632 3.978 1.00 0.00 C ATOM 1798 C ILE A 51 -1.477 -3.621 3.116 1.00 0.00 C ATOM 1799 O ILE A 51 -0.505 -4.202 3.554 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.531 -1.300 4.058 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.236 -0.411 5.099 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.547 -0.617 2.685 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.796 1.045 4.944 1.00 0.00 C ATOM 0 H ILE A 51 -1.654 -2.946 5.991 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.250 -2.488 3.523 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.495 -1.463 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.317 -0.486 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.003 -0.763 6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.018 0.334 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.056 -1.259 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.578 -0.440 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.304 1.660 5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.718 1.117 5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.052 1.398 3.945 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.873 -3.793 1.884 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.127 -4.723 0.985 1.00 0.00 C ATOM 1817 C GLN A 52 0.164 -4.035 0.535 1.00 0.00 C ATOM 1818 O GLN A 52 0.261 -2.826 0.541 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.978 -5.068 -0.245 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.241 -5.818 0.188 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.290 -4.819 0.684 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.406 -4.579 1.869 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.061 -4.219 -0.183 1.00 0.00 N ATOM 0 H GLN A 52 -2.678 -3.332 1.461 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.898 -5.644 1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.250 -4.156 -0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.400 -5.680 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.639 -6.393 -0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.000 -6.530 0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.963 -4.421 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.761 -3.549 0.135 1.00 0.00 H new ATOM 1832 N THR A 53 1.168 -4.791 0.168 1.00 0.00 N ATOM 1833 CA THR A 53 2.460 -4.165 -0.266 1.00 0.00 C ATOM 1834 C THR A 53 3.015 -4.893 -1.491 1.00 0.00 C ATOM 1835 O THR A 53 2.680 -6.027 -1.776 1.00 0.00 O ATOM 1836 CB THR A 53 3.481 -4.235 0.876 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.793 -4.292 0.333 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.220 -5.479 1.716 1.00 0.00 C ATOM 0 H THR A 53 1.152 -5.811 0.149 1.00 0.00 H new ATOM 0 HA THR A 53 2.274 -3.123 -0.525 1.00 0.00 H new ATOM 0 HB THR A 53 3.387 -3.349 1.504 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.447 -4.335 1.062 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.946 -5.529 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.213 -5.433 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.314 -6.367 1.090 1.00 0.00 H new ATOM 1846 N ARG A 54 3.866 -4.222 -2.209 1.00 0.00 N ATOM 1847 CA ARG A 54 4.483 -4.815 -3.433 1.00 0.00 C ATOM 1848 C ARG A 54 5.865 -4.197 -3.651 1.00 0.00 C ATOM 1849 O ARG A 54 6.208 -3.203 -3.044 1.00 0.00 O ATOM 1850 CB ARG A 54 3.584 -4.532 -4.655 1.00 0.00 C ATOM 1851 CG ARG A 54 3.746 -5.659 -5.694 1.00 0.00 C ATOM 1852 CD ARG A 54 2.896 -6.893 -5.292 1.00 0.00 C ATOM 1853 NE ARG A 54 3.711 -8.148 -5.394 1.00 0.00 N ATOM 1854 CZ ARG A 54 4.476 -8.388 -6.428 1.00 0.00 C ATOM 1855 NH1 ARG A 54 4.475 -7.584 -7.455 1.00 0.00 N ATOM 1856 NH2 ARG A 54 5.226 -9.456 -6.442 1.00 0.00 N ATOM 0 H ARG A 54 4.168 -3.271 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 54 4.584 -5.893 -3.307 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.542 -4.460 -4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.851 -3.573 -5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.439 -5.303 -6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.796 -5.942 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.529 -6.773 -4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.022 -6.966 -5.939 1.00 0.00 H new ATOM 0 HE ARG A 54 3.668 -8.832 -4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.874 -6.760 -7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.075 -7.780 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.214 -10.098 -5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.824 -9.648 -7.245 1.00 0.00 H new ATOM 1870 N ASN A 55 6.659 -4.766 -4.519 1.00 0.00 N ATOM 1871 CA ASN A 55 8.004 -4.179 -4.760 1.00 0.00 C ATOM 1872 C ASN A 55 7.828 -2.699 -5.092 1.00 0.00 C ATOM 1873 O ASN A 55 6.904 -2.303 -5.775 1.00 0.00 O ATOM 1874 CB ASN A 55 8.705 -4.897 -5.915 1.00 0.00 C ATOM 1875 CG ASN A 55 10.157 -4.422 -5.995 1.00 0.00 C ATOM 1876 OD1 ASN A 55 10.873 -4.453 -5.014 1.00 0.00 O ATOM 1877 ND2 ASN A 55 10.623 -3.975 -7.130 1.00 0.00 N ATOM 0 H ASN A 55 6.437 -5.600 -5.063 1.00 0.00 H new ATOM 0 HA ASN A 55 8.621 -4.295 -3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.671 -5.976 -5.763 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.190 -4.691 -6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.588 -3.652 -7.193 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.022 -3.949 -7.953 1.00 0.00 H new ATOM 1884 N ARG A 56 8.689 -1.880 -4.564 1.00 0.00 N ATOM 1885 CA ARG A 56 8.577 -0.410 -4.777 1.00 0.00 C ATOM 1886 C ARG A 56 8.945 -0.004 -6.207 1.00 0.00 C ATOM 1887 O ARG A 56 9.918 -0.466 -6.772 1.00 0.00 O ATOM 1888 CB ARG A 56 9.547 0.294 -3.837 1.00 0.00 C ATOM 1889 CG ARG A 56 9.231 -0.068 -2.387 1.00 0.00 C ATOM 1890 CD ARG A 56 10.051 0.840 -1.476 1.00 0.00 C ATOM 1891 NE ARG A 56 9.852 0.461 -0.051 1.00 0.00 N ATOM 1892 CZ ARG A 56 10.700 0.873 0.849 1.00 0.00 C ATOM 1893 NH1 ARG A 56 11.736 1.580 0.486 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.521 0.575 2.107 1.00 0.00 N ATOM 0 H ARG A 56 9.478 -2.169 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 56 7.541 -0.128 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.571 0.006 -4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.479 1.373 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.167 0.056 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.471 -1.114 -2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.107 0.767 -1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.757 1.879 -1.627 1.00 0.00 H new ATOM 0 HE ARG A 56 9.057 -0.118 0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.879 1.807 -0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.403 1.905 1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.715 0.017 2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.187 0.900 2.808 1.00 0.00 H new ATOM 1908 N LYS A 57 8.173 0.880 -6.780 1.00 0.00 N ATOM 1909 CA LYS A 57 8.452 1.370 -8.163 1.00 0.00 C ATOM 1910 C LYS A 57 9.950 1.681 -8.303 1.00 0.00 C ATOM 1911 O LYS A 57 10.629 1.923 -7.326 1.00 0.00 O ATOM 1912 CB LYS A 57 7.646 2.654 -8.377 1.00 0.00 C ATOM 1913 CG LYS A 57 7.508 2.942 -9.866 1.00 0.00 C ATOM 1914 CD LYS A 57 6.944 4.349 -10.056 1.00 0.00 C ATOM 1915 CE LYS A 57 5.593 4.484 -9.335 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.821 4.834 -7.901 1.00 0.00 N ATOM 0 H LYS A 57 7.348 1.290 -6.342 1.00 0.00 H new ATOM 0 HA LYS A 57 8.175 0.615 -8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.659 2.553 -7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.140 3.490 -7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.478 2.857 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.850 2.208 -10.331 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.647 5.086 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.819 4.558 -11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.989 5.253 -9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.036 3.550 -9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.520 4.042 -7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.832 5.022 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.270 5.682 -7.659 1.00 0.00 H new ATOM 1930 N VAL A 58 10.474 1.694 -9.505 1.00 0.00 N ATOM 1931 CA VAL A 58 11.925 2.009 -9.671 1.00 0.00 C ATOM 1932 C VAL A 58 12.222 3.302 -8.907 1.00 0.00 C ATOM 1933 O VAL A 58 11.443 4.234 -8.935 1.00 0.00 O ATOM 1934 CB VAL A 58 12.249 2.187 -11.163 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.236 3.137 -11.813 1.00 0.00 C ATOM 1936 CG2 VAL A 58 13.665 2.761 -11.326 1.00 0.00 C ATOM 0 H VAL A 58 9.966 1.502 -10.368 1.00 0.00 H new ATOM 0 HA VAL A 58 12.539 1.197 -9.281 1.00 0.00 H new ATOM 0 HB VAL A 58 12.193 1.214 -11.652 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.475 3.256 -12.870 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.233 2.723 -11.712 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.279 4.108 -11.320 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.888 2.884 -12.386 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.725 3.728 -10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 58 14.388 2.078 -10.880 1.00 0.00 H new ATOM 1946 N SER A 59 13.316 3.371 -8.198 1.00 0.00 N ATOM 1947 CA SER A 59 13.596 4.612 -7.423 1.00 0.00 C ATOM 1948 C SER A 59 13.969 5.740 -8.387 1.00 0.00 C ATOM 1949 O SER A 59 14.648 5.528 -9.372 1.00 0.00 O ATOM 1950 CB SER A 59 14.741 4.362 -6.441 1.00 0.00 C ATOM 1951 OG SER A 59 15.982 4.448 -7.132 1.00 0.00 O ATOM 0 H SER A 59 14.017 2.634 -8.122 1.00 0.00 H new ATOM 0 HA SER A 59 12.707 4.899 -6.862 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.710 5.094 -5.634 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.634 3.379 -5.983 1.00 0.00 H new ATOM 0 HG SER A 59 16.718 4.290 -6.504 1.00 0.00 H new ATOM 1957 N SER A 60 13.524 6.940 -8.115 1.00 0.00 N ATOM 1958 CA SER A 60 13.846 8.084 -9.022 1.00 0.00 C ATOM 1959 C SER A 60 13.896 9.389 -8.219 1.00 0.00 C ATOM 1960 O SER A 60 13.099 9.610 -7.329 1.00 0.00 O ATOM 1961 CB SER A 60 12.763 8.187 -10.100 1.00 0.00 C ATOM 1962 OG SER A 60 12.984 9.354 -10.883 1.00 0.00 O ATOM 0 H SER A 60 12.952 7.178 -7.305 1.00 0.00 H new ATOM 0 HA SER A 60 14.817 7.917 -9.488 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.781 7.301 -10.735 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.777 8.228 -9.637 1.00 0.00 H new ATOM 0 HG SER A 60 13.935 9.590 -10.857 1.00 0.00 H new ATOM 1968 N LYS A 61 14.827 10.259 -8.540 1.00 0.00 N ATOM 1969 CA LYS A 61 14.948 11.570 -7.816 1.00 0.00 C ATOM 1970 C LYS A 61 14.763 12.714 -8.819 1.00 0.00 C ATOM 1971 O LYS A 61 15.318 12.697 -9.898 1.00 0.00 O ATOM 1972 CB LYS A 61 16.347 11.690 -7.195 1.00 0.00 C ATOM 1973 CG LYS A 61 16.576 10.592 -6.147 1.00 0.00 C ATOM 1974 CD LYS A 61 15.846 10.932 -4.840 1.00 0.00 C ATOM 1975 CE LYS A 61 16.305 9.973 -3.738 1.00 0.00 C ATOM 1976 NZ LYS A 61 17.760 10.169 -3.481 1.00 0.00 N ATOM 0 H LYS A 61 15.515 10.116 -9.279 1.00 0.00 H new ATOM 0 HA LYS A 61 14.190 11.621 -7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.104 11.617 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.461 12.670 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 61 16.220 9.636 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 61 17.643 10.481 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.055 11.962 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.768 10.853 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.737 10.152 -2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.113 8.942 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.979 9.901 -2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.311 9.575 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.007 11.168 -3.630 1.00 0.00 H new ATOM 1990 N GLY A 62 13.988 13.710 -8.471 1.00 0.00 N ATOM 1991 CA GLY A 62 13.766 14.858 -9.406 1.00 0.00 C ATOM 1992 C GLY A 62 14.712 16.013 -9.051 1.00 0.00 C ATOM 1993 O GLY A 62 14.633 17.086 -9.616 1.00 0.00 O ATOM 0 H GLY A 62 13.498 13.779 -7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.938 14.539 -10.434 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.731 15.193 -9.345 1.00 0.00 H new ATOM 1997 N LYS A 63 15.596 15.807 -8.110 1.00 0.00 N ATOM 1998 CA LYS A 63 16.535 16.902 -7.709 1.00 0.00 C ATOM 1999 C LYS A 63 17.448 17.284 -8.876 1.00 0.00 C ATOM 2000 O LYS A 63 17.744 18.444 -9.085 1.00 0.00 O ATOM 2001 CB LYS A 63 17.408 16.431 -6.546 1.00 0.00 C ATOM 2002 CG LYS A 63 16.553 16.285 -5.284 1.00 0.00 C ATOM 2003 CD LYS A 63 17.426 15.799 -4.101 1.00 0.00 C ATOM 2004 CE LYS A 63 17.941 16.993 -3.285 1.00 0.00 C ATOM 2005 NZ LYS A 63 18.750 17.894 -4.155 1.00 0.00 N ATOM 0 H LYS A 63 15.710 14.930 -7.601 1.00 0.00 H new ATOM 0 HA LYS A 63 15.942 17.768 -7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 63 17.875 15.478 -6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.213 17.145 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 63 16.091 17.241 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 63 15.744 15.577 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.844 15.137 -3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.268 15.218 -4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.101 17.542 -2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.547 16.640 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.286 18.560 -3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.411 17.327 -4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.118 18.425 -4.788 1.00 0.00 H new ATOM 2019 N LYS A 64 17.912 16.317 -9.628 1.00 0.00 N ATOM 2020 CA LYS A 64 18.827 16.618 -10.775 1.00 0.00 C ATOM 2021 C LYS A 64 18.417 15.802 -12.001 1.00 0.00 C ATOM 2022 O LYS A 64 17.764 16.301 -12.895 1.00 0.00 O ATOM 2023 CB LYS A 64 20.266 16.272 -10.380 1.00 0.00 C ATOM 2024 CG LYS A 64 20.782 17.309 -9.375 1.00 0.00 C ATOM 2025 CD LYS A 64 22.233 16.990 -9.003 1.00 0.00 C ATOM 2026 CE LYS A 64 22.762 18.052 -8.035 1.00 0.00 C ATOM 2027 NZ LYS A 64 22.001 17.992 -6.754 1.00 0.00 N ATOM 0 H LYS A 64 17.696 15.329 -9.497 1.00 0.00 H new ATOM 0 HA LYS A 64 18.760 17.678 -11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.305 15.275 -9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.904 16.257 -11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.718 18.309 -9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.158 17.305 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.292 16.003 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.851 16.962 -9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.823 17.889 -7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.666 19.043 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.538 18.479 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.078 18.456 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.856 16.999 -6.483 1.00 0.00 H new ATOM 2041 N ARG A 65 18.792 14.554 -12.059 1.00 0.00 N ATOM 2042 CA ARG A 65 18.416 13.722 -13.237 1.00 0.00 C ATOM 2043 C ARG A 65 17.039 13.109 -12.991 1.00 0.00 C ATOM 2044 O ARG A 65 16.676 12.811 -11.870 1.00 0.00 O ATOM 2045 CB ARG A 65 19.448 12.613 -13.431 1.00 0.00 C ATOM 2046 CG ARG A 65 20.768 13.227 -13.910 1.00 0.00 C ATOM 2047 CD ARG A 65 21.797 12.118 -14.124 1.00 0.00 C ATOM 2048 NE ARG A 65 21.236 11.110 -15.067 1.00 0.00 N ATOM 2049 CZ ARG A 65 22.020 10.240 -15.639 1.00 0.00 C ATOM 2050 NH1 ARG A 65 23.303 10.254 -15.398 1.00 0.00 N ATOM 2051 NH2 ARG A 65 21.519 9.355 -16.456 1.00 0.00 N ATOM 0 H ARG A 65 19.341 14.075 -11.345 1.00 0.00 H new ATOM 0 HA ARG A 65 18.387 14.341 -14.134 1.00 0.00 H new ATOM 0 HB2 ARG A 65 19.602 12.076 -12.495 1.00 0.00 H new ATOM 0 HB3 ARG A 65 19.086 11.887 -14.159 1.00 0.00 H new ATOM 0 HG2 ARG A 65 20.610 13.776 -14.838 1.00 0.00 H new ATOM 0 HG3 ARG A 65 21.136 13.943 -13.175 1.00 0.00 H new ATOM 0 HD2 ARG A 65 22.721 12.534 -14.524 1.00 0.00 H new ATOM 0 HD3 ARG A 65 22.045 11.647 -13.173 1.00 0.00 H new ATOM 0 HE ARG A 65 20.236 11.101 -15.265 1.00 0.00 H new ATOM 0 HH11 ARG A 65 23.695 10.947 -14.760 1.00 0.00 H new ATOM 0 HH12 ARG A 65 23.914 9.572 -15.847 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.517 9.345 -16.645 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.129 8.673 -16.905 1.00 0.00 H new ATOM 2065 N ARG A 66 16.262 12.926 -14.023 1.00 0.00 N ATOM 2066 CA ARG A 66 14.905 12.341 -13.831 1.00 0.00 C ATOM 2067 C ARG A 66 15.020 11.015 -13.078 1.00 0.00 C ATOM 2068 O ARG A 66 14.747 11.007 -11.888 1.00 0.00 O ATOM 2069 CB ARG A 66 14.252 12.103 -15.192 1.00 0.00 C ATOM 2070 CG ARG A 66 13.914 13.449 -15.832 1.00 0.00 C ATOM 2071 CD ARG A 66 13.176 13.218 -17.147 1.00 0.00 C ATOM 2072 NE ARG A 66 12.851 14.533 -17.767 1.00 0.00 N ATOM 2073 CZ ARG A 66 12.458 14.588 -19.008 1.00 0.00 C ATOM 2074 NH1 ARG A 66 12.342 13.490 -19.704 1.00 0.00 N ATOM 2075 NH2 ARG A 66 12.178 15.739 -19.554 1.00 0.00 N ATOM 2076 OXT ARG A 66 15.377 10.030 -13.702 1.00 0.00 O ATOM 0 H ARG A 66 16.506 13.155 -14.986 1.00 0.00 H new ATOM 0 HA ARG A 66 14.292 13.033 -13.253 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.925 11.539 -15.838 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.348 11.506 -15.075 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.297 14.040 -15.156 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.826 14.018 -16.010 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.792 12.626 -17.824 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.262 12.651 -16.970 1.00 0.00 H new ATOM 0 HE ARG A 66 12.936 15.390 -17.220 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.559 12.590 -19.276 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.034 13.532 -20.676 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.267 16.597 -19.009 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.870 15.781 -20.526 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -12.084 2.757 1.830 1.00 0.00 ZN