USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 913 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot -120:sc= -2.32! USER MOD Set 1.2: C 125 DT C7 :methyl 150:sc= -3.23! (180deg=-1.04) USER MOD Single : A 1 LYS N :NH3+ -147:sc=-0.00707 (180deg=-0.438) USER MOD Single : A 1 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.106) USER MOD Single : A 5 THR OG1 : rot -69:sc= -2.75! USER MOD Single : A 8 SER OG : rot 79:sc= 0.582 USER MOD Single : A 9 ASN : amide:sc= -3.38! C(o=-3.4!,f=-4.7!) USER MOD Single : A 11 GLN : amide:sc= -2.37! C(o=-2.4!,f=-1.9!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 57:sc= 0.487 USER MOD Single : A 15 THR OG1 : rot -132:sc= 0.798 USER MOD Single : A 21 SER OG : rot -160:sc= -0.286 USER MOD Single : A 23 MET CE :methyl 155:sc= -0.0816 (180deg=-0.815) USER MOD Single : A 29 ASN : amide:sc= -1.35 K(o=-1.3,f=-4!) USER MOD Single : A 34 TYR OH : rot 30:sc= -0.181 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-5.1!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 ASN : amide:sc= -1.53! C(o=-1.5!,f=-6.5!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 46 MET CE :methyl -171:sc= -0.729 (180deg=-0.808) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0197 (180deg=-0.284) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 55 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.018) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 17:sc= 0.733! USER MOD Single : A 60 SER OG : rot 18:sc= -1.44! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -130:sc= -2.05 (180deg=-4.72!) USER MOD Single : B 101 DG O5' : rot 180:sc=-0.00639 USER MOD Single : B 102 DT C7 :methyl -30:sc= -0.833 (180deg=-1.64!) USER MOD Single : B 103 DT C7 :methyl 150:sc= -1.58! (180deg=-1.58!) USER MOD Single : B 109 DT C7 :methyl 150:sc= -2.25 (180deg=-2.25) USER MOD Single : B 115 DT C7 :methyl -30:sc= -1.22 (180deg=-1.44!) USER MOD Single : B 116 DT C7 :methyl 150:sc= -0.823 (180deg=-0.823) USER MOD Single : B 116 DT O3' : rot 180:sc= 0 USER MOD Single : C 117 DA O5' : rot 180:sc= -1.71! USER MOD Single : C 119 DT C7 :methyl -30:sc= -0.565 (180deg=-0.683) USER MOD Single : C 121 DT C7 :methyl 150:sc= -1.81! (180deg=-1.81!) USER MOD Single : C 122 DT C7 :methyl -30:sc= -0.138 (180deg=-0.799) USER MOD Single : C 123 DT C7 :methyl -30:sc= -1.55! (180deg=-2.53!) USER MOD Single : C 127 DT C7 :methyl -30:sc= -1.16 (180deg=-1.23) USER MOD Single : C 132 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 101 20.406 21.477 7.129 1.00 0.00 O ATOM 2 C5' DG B 101 20.896 20.935 8.361 1.00 0.00 C ATOM 3 C4' DG B 101 19.835 20.088 9.067 1.00 0.00 C ATOM 4 O4' DG B 101 18.772 20.943 9.559 1.00 0.00 O ATOM 5 C3' DG B 101 19.205 19.051 8.129 1.00 0.00 C ATOM 6 O3' DG B 101 19.183 17.766 8.761 1.00 0.00 O ATOM 7 C2' DG B 101 17.801 19.538 7.874 1.00 0.00 C ATOM 8 C1' DG B 101 17.521 20.625 8.904 1.00 0.00 C ATOM 9 N9 DG B 101 16.928 21.825 8.272 1.00 0.00 N ATOM 10 C8 DG B 101 17.342 22.522 7.171 1.00 0.00 C ATOM 11 N7 DG B 101 16.599 23.539 6.848 1.00 0.00 N ATOM 12 C5 DG B 101 15.598 23.523 7.818 1.00 0.00 C ATOM 13 C6 DG B 101 14.487 24.393 7.994 1.00 0.00 C ATOM 14 O6 DG B 101 14.160 25.365 7.315 1.00 0.00 O ATOM 15 N1 DG B 101 13.725 24.027 9.095 1.00 0.00 N ATOM 16 C2 DG B 101 13.992 22.958 9.925 1.00 0.00 C ATOM 17 N2 DG B 101 13.139 22.760 10.929 1.00 0.00 N ATOM 18 N3 DG B 101 15.035 22.137 9.761 1.00 0.00 N ATOM 19 C4 DG B 101 15.792 22.479 8.694 1.00 0.00 C ATOM 0 H5' DG B 101 21.209 21.747 9.017 1.00 0.00 H new ATOM 0 H5'' DG B 101 21.778 20.325 8.165 1.00 0.00 H new ATOM 0 H4' DG B 101 20.336 19.568 9.884 1.00 0.00 H new ATOM 0 H3' DG B 101 19.767 18.944 7.201 1.00 0.00 H new ATOM 0 H2' DG B 101 17.705 19.930 6.862 1.00 0.00 H new ATOM 0 H2'' DG B 101 17.085 18.722 7.968 1.00 0.00 H new ATOM 0 HO5' DG B 101 21.108 22.014 6.705 1.00 0.00 H new ATOM 0 H1' DG B 101 16.794 20.269 9.634 1.00 0.00 H new ATOM 0 H8 DG B 101 18.223 22.248 6.610 1.00 0.00 H new ATOM 0 H1 DG B 101 12.903 24.593 9.307 1.00 0.00 H new ATOM 0 H21 DG B 101 13.284 21.985 11.576 1.00 0.00 H new ATOM 0 H22 DG B 101 12.341 23.383 11.050 1.00 0.00 H new ATOM 32 P DT B 102 18.563 16.474 8.020 1.00 0.00 P ATOM 33 OP1 DT B 102 19.316 15.279 8.466 1.00 0.00 O ATOM 34 OP2 DT B 102 18.450 16.779 6.577 1.00 0.00 O ATOM 35 O5' DT B 102 17.072 16.394 8.640 1.00 0.00 O ATOM 36 C5' DT B 102 16.897 16.233 10.052 1.00 0.00 C ATOM 37 C4' DT B 102 15.420 16.202 10.469 1.00 0.00 C ATOM 38 O4' DT B 102 14.822 17.514 10.307 1.00 0.00 O ATOM 39 C3' DT B 102 14.579 15.212 9.650 1.00 0.00 C ATOM 40 O3' DT B 102 13.995 14.235 10.522 1.00 0.00 O ATOM 41 C2' DT B 102 13.498 16.030 8.987 1.00 0.00 C ATOM 42 C1' DT B 102 13.543 17.404 9.634 1.00 0.00 C ATOM 43 N1 DT B 102 13.359 18.499 8.637 1.00 0.00 N ATOM 44 C2 DT B 102 12.286 19.364 8.806 1.00 0.00 C ATOM 45 O2 DT B 102 11.481 19.230 9.723 1.00 0.00 O ATOM 46 N3 DT B 102 12.171 20.384 7.881 1.00 0.00 N ATOM 47 C4 DT B 102 13.018 20.615 6.814 1.00 0.00 C ATOM 48 O4 DT B 102 12.816 21.553 6.045 1.00 0.00 O ATOM 49 C5 DT B 102 14.107 19.669 6.711 1.00 0.00 C ATOM 50 C7 DT B 102 15.129 19.839 5.586 1.00 0.00 C ATOM 51 C6 DT B 102 14.238 18.660 7.607 1.00 0.00 C ATOM 0 H5' DT B 102 17.399 17.049 10.571 1.00 0.00 H new ATOM 0 H5'' DT B 102 17.379 15.309 10.370 1.00 0.00 H new ATOM 0 H4' DT B 102 15.417 15.884 11.512 1.00 0.00 H new ATOM 0 H3' DT B 102 15.183 14.682 8.914 1.00 0.00 H new ATOM 0 H2' DT B 102 13.668 16.101 7.913 1.00 0.00 H new ATOM 0 H2'' DT B 102 12.521 15.567 9.125 1.00 0.00 H new ATOM 0 H1' DT B 102 12.722 17.511 10.343 1.00 0.00 H new ATOM 0 H3 DT B 102 11.387 21.027 7.997 1.00 0.00 H new ATOM 0 H71 DT B 102 14.648 20.302 4.724 1.00 0.00 H new ATOM 0 H72 DT B 102 15.946 20.473 5.930 1.00 0.00 H new ATOM 0 H73 DT B 102 15.522 18.863 5.301 1.00 0.00 H new ATOM 0 H6 DT B 102 15.059 17.966 7.502 1.00 0.00 H new ATOM 64 P DT B 103 13.052 13.054 9.959 1.00 0.00 P ATOM 65 OP1 DT B 103 13.163 11.894 10.872 1.00 0.00 O ATOM 66 OP2 DT B 103 13.323 12.886 8.515 1.00 0.00 O ATOM 67 O5' DT B 103 11.577 13.687 10.131 1.00 0.00 O ATOM 68 C5' DT B 103 11.109 14.023 11.443 1.00 0.00 C ATOM 69 C4' DT B 103 9.695 14.620 11.444 1.00 0.00 C ATOM 70 O4' DT B 103 9.710 15.951 10.887 1.00 0.00 O ATOM 71 C3' DT B 103 8.698 13.773 10.643 1.00 0.00 C ATOM 72 O3' DT B 103 7.673 13.280 11.515 1.00 0.00 O ATOM 73 C2' DT B 103 8.113 14.713 9.602 1.00 0.00 C ATOM 74 C1' DT B 103 8.639 16.114 9.937 1.00 0.00 C ATOM 75 N1 DT B 103 9.127 16.844 8.730 1.00 0.00 N ATOM 76 C2 DT B 103 8.582 18.090 8.449 1.00 0.00 C ATOM 77 O2 DT B 103 7.695 18.585 9.141 1.00 0.00 O ATOM 78 N3 DT B 103 9.098 18.749 7.349 1.00 0.00 N ATOM 79 C4 DT B 103 10.094 18.282 6.513 1.00 0.00 C ATOM 80 O4 DT B 103 10.490 18.958 5.569 1.00 0.00 O ATOM 81 C5 DT B 103 10.601 16.979 6.872 1.00 0.00 C ATOM 82 C7 DT B 103 11.697 16.350 6.004 1.00 0.00 C ATOM 83 C6 DT B 103 10.112 16.315 7.948 1.00 0.00 C ATOM 0 H5' DT B 103 11.798 14.736 11.896 1.00 0.00 H new ATOM 0 H5'' DT B 103 11.120 13.129 12.066 1.00 0.00 H new ATOM 0 H4' DT B 103 9.372 14.641 12.485 1.00 0.00 H new ATOM 0 H3' DT B 103 9.169 12.908 10.177 1.00 0.00 H new ATOM 0 H2' DT B 103 8.414 14.415 8.598 1.00 0.00 H new ATOM 0 H2'' DT B 103 7.024 14.691 9.628 1.00 0.00 H new ATOM 0 H1' DT B 103 7.827 16.714 10.348 1.00 0.00 H new ATOM 0 H3 DT B 103 8.707 19.666 7.134 1.00 0.00 H new ATOM 0 H71 DT B 103 12.324 15.706 6.620 1.00 0.00 H new ATOM 0 H72 DT B 103 11.239 15.759 5.211 1.00 0.00 H new ATOM 0 H73 DT B 103 12.309 17.137 5.563 1.00 0.00 H new ATOM 0 H6 DT B 103 10.512 15.342 8.193 1.00 0.00 H new ATOM 96 P DG B 104 6.604 12.180 11.021 1.00 0.00 P ATOM 97 OP1 DG B 104 6.127 11.437 12.208 1.00 0.00 O ATOM 98 OP2 DG B 104 7.200 11.443 9.883 1.00 0.00 O ATOM 99 O5' DG B 104 5.383 13.067 10.458 1.00 0.00 O ATOM 100 C5' DG B 104 4.703 13.977 11.327 1.00 0.00 C ATOM 101 C4' DG B 104 3.574 14.731 10.615 1.00 0.00 C ATOM 102 O4' DG B 104 4.144 15.661 9.662 1.00 0.00 O ATOM 103 C3' DG B 104 2.640 13.785 9.847 1.00 0.00 C ATOM 104 O3' DG B 104 1.274 14.073 10.161 1.00 0.00 O ATOM 105 C2' DG B 104 2.872 14.086 8.390 1.00 0.00 C ATOM 106 C1' DG B 104 3.691 15.359 8.325 1.00 0.00 C ATOM 107 N9 DG B 104 4.825 15.223 7.383 1.00 0.00 N ATOM 108 C8 DG B 104 5.774 14.243 7.285 1.00 0.00 C ATOM 109 N7 DG B 104 6.645 14.409 6.332 1.00 0.00 N ATOM 110 C5 DG B 104 6.244 15.607 5.742 1.00 0.00 C ATOM 111 C6 DG B 104 6.803 16.318 4.643 1.00 0.00 C ATOM 112 O6 DG B 104 7.784 16.024 3.962 1.00 0.00 O ATOM 113 N1 DG B 104 6.090 17.479 4.372 1.00 0.00 N ATOM 114 C2 DG B 104 4.978 17.906 5.069 1.00 0.00 C ATOM 115 N2 DG B 104 4.424 19.049 4.663 1.00 0.00 N ATOM 116 N3 DG B 104 4.452 17.242 6.099 1.00 0.00 N ATOM 117 C4 DG B 104 5.133 16.108 6.379 1.00 0.00 C ATOM 0 H5' DG B 104 5.418 14.694 11.729 1.00 0.00 H new ATOM 0 H5'' DG B 104 4.292 13.428 12.174 1.00 0.00 H new ATOM 0 H4' DG B 104 2.997 15.247 11.383 1.00 0.00 H new ATOM 0 H3' DG B 104 2.837 12.743 10.101 1.00 0.00 H new ATOM 0 H2' DG B 104 3.399 13.264 7.906 1.00 0.00 H new ATOM 0 H2'' DG B 104 1.924 14.210 7.866 1.00 0.00 H new ATOM 0 H1' DG B 104 3.080 16.179 7.948 1.00 0.00 H new ATOM 0 H8 DG B 104 5.799 13.393 7.950 1.00 0.00 H new ATOM 0 H1 DG B 104 6.413 18.060 3.599 1.00 0.00 H new ATOM 0 H21 DG B 104 3.600 19.414 5.140 1.00 0.00 H new ATOM 0 H22 DG B 104 4.825 19.558 3.875 1.00 0.00 H new ATOM 129 P DC B 105 0.064 13.230 9.501 1.00 0.00 P ATOM 130 OP1 DC B 105 -1.105 13.312 10.405 1.00 0.00 O ATOM 131 OP2 DC B 105 0.595 11.904 9.108 1.00 0.00 O ATOM 132 O5' DC B 105 -0.290 14.043 8.150 1.00 0.00 O ATOM 133 C5' DC B 105 -0.716 15.409 8.199 1.00 0.00 C ATOM 134 C4' DC B 105 -0.997 15.975 6.797 1.00 0.00 C ATOM 135 O4' DC B 105 0.226 16.147 6.026 1.00 0.00 O ATOM 136 C3' DC B 105 -1.924 15.051 5.995 1.00 0.00 C ATOM 137 O3' DC B 105 -3.118 15.750 5.628 1.00 0.00 O ATOM 138 C2' DC B 105 -1.152 14.651 4.764 1.00 0.00 C ATOM 139 C1' DC B 105 0.089 15.520 4.722 1.00 0.00 C ATOM 140 N1 DC B 105 1.305 14.732 4.375 1.00 0.00 N ATOM 141 C2 DC B 105 2.023 15.076 3.230 1.00 0.00 C ATOM 142 O2 DC B 105 1.602 15.954 2.481 1.00 0.00 O ATOM 143 N3 DC B 105 3.178 14.404 2.964 1.00 0.00 N ATOM 144 C4 DC B 105 3.616 13.439 3.783 1.00 0.00 C ATOM 145 N4 DC B 105 4.755 12.806 3.502 1.00 0.00 N ATOM 146 C5 DC B 105 2.881 13.082 4.956 1.00 0.00 C ATOM 147 C6 DC B 105 1.737 13.751 5.204 1.00 0.00 C ATOM 0 H5' DC B 105 0.051 16.011 8.686 1.00 0.00 H new ATOM 0 H5'' DC B 105 -1.616 15.486 8.808 1.00 0.00 H new ATOM 0 H4' DC B 105 -1.473 16.943 6.956 1.00 0.00 H new ATOM 0 H3' DC B 105 -2.222 14.179 6.577 1.00 0.00 H new ATOM 0 H2' DC B 105 -0.883 13.595 4.803 1.00 0.00 H new ATOM 0 H2'' DC B 105 -1.754 14.794 3.867 1.00 0.00 H new ATOM 0 H1' DC B 105 -0.014 16.275 3.943 1.00 0.00 H new ATOM 0 H41 DC B 105 5.095 12.070 4.121 1.00 0.00 H new ATOM 0 H42 DC B 105 5.286 13.058 2.668 1.00 0.00 H new ATOM 0 H5 DC B 105 3.230 12.304 5.620 1.00 0.00 H new ATOM 0 H6 DC B 105 1.155 13.501 6.079 1.00 0.00 H new ATOM 159 P DA B 106 -4.273 15.020 4.777 1.00 0.00 P ATOM 160 OP1 DA B 106 -5.567 15.657 5.115 1.00 0.00 O ATOM 161 OP2 DA B 106 -4.109 13.558 4.932 1.00 0.00 O ATOM 162 O5' DA B 106 -3.898 15.417 3.256 1.00 0.00 O ATOM 163 C5' DA B 106 -3.875 16.798 2.866 1.00 0.00 C ATOM 164 C4' DA B 106 -3.498 16.995 1.388 1.00 0.00 C ATOM 165 O4' DA B 106 -2.096 16.697 1.157 1.00 0.00 O ATOM 166 C3' DA B 106 -4.331 16.103 0.461 1.00 0.00 C ATOM 167 O3' DA B 106 -4.987 16.881 -0.530 1.00 0.00 O ATOM 168 C2' DA B 106 -3.337 15.177 -0.214 1.00 0.00 C ATOM 169 C1' DA B 106 -1.949 15.718 0.101 1.00 0.00 C ATOM 170 N9 DA B 106 -1.046 14.639 0.515 1.00 0.00 N ATOM 171 C8 DA B 106 -1.221 13.764 1.522 1.00 0.00 C ATOM 172 N7 DA B 106 -0.245 12.939 1.724 1.00 0.00 N ATOM 173 C5 DA B 106 0.673 13.294 0.738 1.00 0.00 C ATOM 174 C6 DA B 106 1.931 12.788 0.396 1.00 0.00 C ATOM 175 N6 DA B 106 2.498 11.764 1.032 1.00 0.00 N ATOM 176 N1 DA B 106 2.569 13.359 -0.640 1.00 0.00 N ATOM 177 C2 DA B 106 2.000 14.368 -1.299 1.00 0.00 C ATOM 178 N3 DA B 106 0.810 14.926 -1.054 1.00 0.00 N ATOM 179 C4 DA B 106 0.195 14.330 -0.010 1.00 0.00 C ATOM 0 H5' DA B 106 -3.163 17.336 3.492 1.00 0.00 H new ATOM 0 H5'' DA B 106 -4.855 17.238 3.048 1.00 0.00 H new ATOM 0 H4' DA B 106 -3.701 18.042 1.163 1.00 0.00 H new ATOM 0 H3' DA B 106 -5.096 15.564 1.019 1.00 0.00 H new ATOM 0 H2' DA B 106 -3.447 14.157 0.154 1.00 0.00 H new ATOM 0 H2'' DA B 106 -3.505 15.147 -1.291 1.00 0.00 H new ATOM 0 H1' DA B 106 -1.511 16.175 -0.786 1.00 0.00 H new ATOM 0 H8 DA B 106 -2.118 13.751 2.123 1.00 0.00 H new ATOM 0 H61 DA B 106 3.418 11.431 0.744 1.00 0.00 H new ATOM 0 H62 DA B 106 2.012 11.312 1.807 1.00 0.00 H new ATOM 0 H2 DA B 106 2.563 14.781 -2.123 1.00 0.00 H new ATOM 191 P DG B 107 -5.919 16.156 -1.615 1.00 0.00 P ATOM 192 OP1 DG B 107 -6.884 17.141 -2.150 1.00 0.00 O ATOM 193 OP2 DG B 107 -6.394 14.875 -1.048 1.00 0.00 O ATOM 194 O5' DG B 107 -4.835 15.840 -2.751 1.00 0.00 O ATOM 195 C5' DG B 107 -4.121 16.906 -3.367 1.00 0.00 C ATOM 196 C4' DG B 107 -3.118 16.380 -4.387 1.00 0.00 C ATOM 197 O4' DG B 107 -2.007 15.704 -3.747 1.00 0.00 O ATOM 198 C3' DG B 107 -3.775 15.390 -5.353 1.00 0.00 C ATOM 199 O3' DG B 107 -3.625 15.865 -6.690 1.00 0.00 O ATOM 200 C2' DG B 107 -3.037 14.093 -5.149 1.00 0.00 C ATOM 201 C1' DG B 107 -1.757 14.455 -4.426 1.00 0.00 C ATOM 202 N9 DG B 107 -1.321 13.388 -3.496 1.00 0.00 N ATOM 203 C8 DG B 107 -1.983 12.799 -2.448 1.00 0.00 C ATOM 204 N7 DG B 107 -1.330 11.871 -1.842 1.00 0.00 N ATOM 205 C5 DG B 107 -0.126 11.820 -2.520 1.00 0.00 C ATOM 206 C6 DG B 107 0.991 10.986 -2.297 1.00 0.00 C ATOM 207 O6 DG B 107 1.122 10.115 -1.444 1.00 0.00 O ATOM 208 N1 DG B 107 2.010 11.246 -3.201 1.00 0.00 N ATOM 209 C2 DG B 107 1.958 12.194 -4.199 1.00 0.00 C ATOM 210 N2 DG B 107 3.044 12.300 -4.966 1.00 0.00 N ATOM 211 N3 DG B 107 0.901 12.986 -4.412 1.00 0.00 N ATOM 212 C4 DG B 107 -0.103 12.743 -3.535 1.00 0.00 C ATOM 0 H5' DG B 107 -3.599 17.486 -2.606 1.00 0.00 H new ATOM 0 H5'' DG B 107 -4.822 17.581 -3.857 1.00 0.00 H new ATOM 0 H4' DG B 107 -2.754 17.251 -4.932 1.00 0.00 H new ATOM 0 H3' DG B 107 -4.843 15.267 -5.175 1.00 0.00 H new ATOM 0 H2' DG B 107 -3.632 13.393 -4.563 1.00 0.00 H new ATOM 0 H2'' DG B 107 -2.824 13.610 -6.103 1.00 0.00 H new ATOM 0 H1' DG B 107 -0.933 14.562 -5.132 1.00 0.00 H new ATOM 0 H8 DG B 107 -2.980 13.093 -2.154 1.00 0.00 H new ATOM 0 H1 DG B 107 2.863 10.693 -3.121 1.00 0.00 H new ATOM 0 H21 DG B 107 3.069 12.983 -5.723 1.00 0.00 H new ATOM 0 H22 DG B 107 3.849 11.698 -4.796 1.00 0.00 H new ATOM 224 P DA B 108 -4.202 15.064 -7.961 1.00 0.00 P ATOM 225 OP1 DA B 108 -4.649 16.053 -8.966 1.00 0.00 O ATOM 226 OP2 DA B 108 -5.147 14.037 -7.467 1.00 0.00 O ATOM 227 O5' DA B 108 -2.895 14.309 -8.537 1.00 0.00 O ATOM 228 C5' DA B 108 -1.775 15.093 -8.959 1.00 0.00 C ATOM 229 C4' DA B 108 -0.603 14.254 -9.488 1.00 0.00 C ATOM 230 O4' DA B 108 0.034 13.516 -8.410 1.00 0.00 O ATOM 231 C3' DA B 108 -1.056 13.231 -10.538 1.00 0.00 C ATOM 232 O3' DA B 108 -0.219 13.335 -11.697 1.00 0.00 O ATOM 233 C2' DA B 108 -0.879 11.880 -9.891 1.00 0.00 C ATOM 234 C1' DA B 108 0.040 12.096 -8.707 1.00 0.00 C ATOM 235 N9 DA B 108 -0.381 11.307 -7.532 1.00 0.00 N ATOM 236 C8 DA B 108 -1.565 11.340 -6.853 1.00 0.00 C ATOM 237 N7 DA B 108 -1.589 10.658 -5.751 1.00 0.00 N ATOM 238 C5 DA B 108 -0.311 10.112 -5.692 1.00 0.00 C ATOM 239 C6 DA B 108 0.316 9.279 -4.766 1.00 0.00 C ATOM 240 N6 DA B 108 -0.251 8.916 -3.624 1.00 0.00 N ATOM 241 N1 DA B 108 1.578 8.906 -5.019 1.00 0.00 N ATOM 242 C2 DA B 108 2.198 9.334 -6.113 1.00 0.00 C ATOM 243 N3 DA B 108 1.704 10.141 -7.052 1.00 0.00 N ATOM 244 C4 DA B 108 0.429 10.491 -6.774 1.00 0.00 C ATOM 0 H5' DA B 108 -1.429 15.698 -8.121 1.00 0.00 H new ATOM 0 H5'' DA B 108 -2.098 15.783 -9.738 1.00 0.00 H new ATOM 0 H4' DA B 108 0.094 14.960 -9.940 1.00 0.00 H new ATOM 0 H3' DA B 108 -2.087 13.393 -10.853 1.00 0.00 H new ATOM 0 H2' DA B 108 -1.838 11.473 -9.570 1.00 0.00 H new ATOM 0 H2'' DA B 108 -0.448 11.166 -10.593 1.00 0.00 H new ATOM 0 H1' DA B 108 1.046 11.757 -8.952 1.00 0.00 H new ATOM 0 H8 DA B 108 -2.421 11.895 -7.209 1.00 0.00 H new ATOM 0 H61 DA B 108 0.248 8.304 -2.978 1.00 0.00 H new ATOM 0 H62 DA B 108 -1.187 9.248 -3.391 1.00 0.00 H new ATOM 0 H2 DA B 108 3.212 8.991 -6.257 1.00 0.00 H new ATOM 256 P DT B 109 -0.434 12.394 -12.988 1.00 0.00 P ATOM 257 OP1 DT B 109 -0.071 13.178 -14.190 1.00 0.00 O ATOM 258 OP2 DT B 109 -1.770 11.766 -12.892 1.00 0.00 O ATOM 259 O5' DT B 109 0.689 11.254 -12.777 1.00 0.00 O ATOM 260 C5' DT B 109 2.063 11.645 -12.711 1.00 0.00 C ATOM 261 C4' DT B 109 3.022 10.468 -12.494 1.00 0.00 C ATOM 262 O4' DT B 109 2.853 9.910 -11.169 1.00 0.00 O ATOM 263 C3' DT B 109 2.825 9.342 -13.519 1.00 0.00 C ATOM 264 O3' DT B 109 4.038 9.149 -14.247 1.00 0.00 O ATOM 265 C2' DT B 109 2.510 8.103 -12.710 1.00 0.00 C ATOM 266 C1' DT B 109 2.692 8.479 -11.245 1.00 0.00 C ATOM 267 N1 DT B 109 1.535 8.038 -10.427 1.00 0.00 N ATOM 268 C2 DT B 109 1.760 7.148 -9.388 1.00 0.00 C ATOM 269 O2 DT B 109 2.877 6.698 -9.145 1.00 0.00 O ATOM 270 N3 DT B 109 0.657 6.804 -8.635 1.00 0.00 N ATOM 271 C4 DT B 109 -0.632 7.270 -8.819 1.00 0.00 C ATOM 272 O4 DT B 109 -1.546 6.886 -8.101 1.00 0.00 O ATOM 273 C5 DT B 109 -0.775 8.196 -9.916 1.00 0.00 C ATOM 274 C7 DT B 109 -2.153 8.813 -10.183 1.00 0.00 C ATOM 275 C6 DT B 109 0.292 8.540 -10.673 1.00 0.00 C ATOM 0 H5' DT B 109 2.190 12.362 -11.900 1.00 0.00 H new ATOM 0 H5'' DT B 109 2.332 12.157 -13.635 1.00 0.00 H new ATOM 0 H4' DT B 109 4.026 10.873 -12.617 1.00 0.00 H new ATOM 0 H3' DT B 109 2.033 9.569 -14.232 1.00 0.00 H new ATOM 0 H2' DT B 109 1.491 7.766 -12.899 1.00 0.00 H new ATOM 0 H2'' DT B 109 3.173 7.283 -12.984 1.00 0.00 H new ATOM 0 H1' DT B 109 3.573 7.977 -10.845 1.00 0.00 H new ATOM 0 H3 DT B 109 0.806 6.144 -7.871 1.00 0.00 H new ATOM 0 H71 DT B 109 -2.029 9.805 -10.618 1.00 0.00 H new ATOM 0 H72 DT B 109 -2.707 8.179 -10.875 1.00 0.00 H new ATOM 0 H73 DT B 109 -2.703 8.894 -9.245 1.00 0.00 H new ATOM 0 H6 DT B 109 0.155 9.230 -11.493 1.00 0.00 H new ATOM 288 P DA B 110 4.138 8.124 -15.483 1.00 0.00 P ATOM 289 OP1 DA B 110 5.315 8.493 -16.301 1.00 0.00 O ATOM 290 OP2 DA B 110 2.802 8.019 -16.112 1.00 0.00 O ATOM 291 O5' DA B 110 4.458 6.739 -14.733 1.00 0.00 O ATOM 292 C5' DA B 110 5.635 6.622 -13.938 1.00 0.00 C ATOM 293 C4' DA B 110 5.768 5.237 -13.306 1.00 0.00 C ATOM 294 O4' DA B 110 4.727 5.049 -12.308 1.00 0.00 O ATOM 295 C3' DA B 110 5.622 4.112 -14.333 1.00 0.00 C ATOM 296 O3' DA B 110 6.699 3.184 -14.159 1.00 0.00 O ATOM 297 C2' DA B 110 4.303 3.445 -14.033 1.00 0.00 C ATOM 298 C1' DA B 110 3.878 3.924 -12.652 1.00 0.00 C ATOM 299 N9 DA B 110 2.443 4.305 -12.625 1.00 0.00 N ATOM 300 C8 DA B 110 1.748 5.129 -13.467 1.00 0.00 C ATOM 301 N7 DA B 110 0.488 5.279 -13.178 1.00 0.00 N ATOM 302 C5 DA B 110 0.325 4.487 -12.043 1.00 0.00 C ATOM 303 C6 DA B 110 -0.785 4.209 -11.232 1.00 0.00 C ATOM 304 N6 DA B 110 -1.995 4.727 -11.450 1.00 0.00 N ATOM 305 N1 DA B 110 -0.599 3.384 -10.187 1.00 0.00 N ATOM 306 C2 DA B 110 0.606 2.862 -9.953 1.00 0.00 C ATOM 307 N3 DA B 110 1.719 3.057 -10.657 1.00 0.00 N ATOM 308 C4 DA B 110 1.506 3.888 -11.698 1.00 0.00 C ATOM 0 H5' DA B 110 5.618 7.378 -13.153 1.00 0.00 H new ATOM 0 H5'' DA B 110 6.510 6.824 -14.556 1.00 0.00 H new ATOM 0 H4' DA B 110 6.763 5.191 -12.864 1.00 0.00 H new ATOM 0 H3' DA B 110 5.650 4.479 -15.359 1.00 0.00 H new ATOM 0 H2' DA B 110 3.556 3.709 -14.782 1.00 0.00 H new ATOM 0 H2'' DA B 110 4.404 2.360 -14.053 1.00 0.00 H new ATOM 0 H1' DA B 110 3.992 3.122 -11.923 1.00 0.00 H new ATOM 0 H8 DA B 110 2.211 5.619 -14.310 1.00 0.00 H new ATOM 0 H61 DA B 110 -2.770 4.492 -10.829 1.00 0.00 H new ATOM 0 H62 DA B 110 -2.145 5.358 -12.237 1.00 0.00 H new ATOM 0 H2 DA B 110 0.688 2.208 -9.097 1.00 0.00 H new ATOM 320 P DA B 111 6.857 1.871 -15.076 1.00 0.00 P ATOM 321 OP1 DA B 111 8.300 1.589 -15.237 1.00 0.00 O ATOM 322 OP2 DA B 111 5.997 2.034 -16.270 1.00 0.00 O ATOM 323 O5' DA B 111 6.215 0.729 -14.133 1.00 0.00 O ATOM 324 C5' DA B 111 6.796 0.474 -12.848 1.00 0.00 C ATOM 325 C4' DA B 111 6.024 -0.571 -12.028 1.00 0.00 C ATOM 326 O4' DA B 111 4.740 -0.038 -11.616 1.00 0.00 O ATOM 327 C3' DA B 111 5.767 -1.870 -12.802 1.00 0.00 C ATOM 328 O3' DA B 111 6.390 -2.965 -12.130 1.00 0.00 O ATOM 329 C2' DA B 111 4.266 -2.064 -12.803 1.00 0.00 C ATOM 330 C1' DA B 111 3.679 -0.974 -11.914 1.00 0.00 C ATOM 331 N9 DA B 111 2.556 -0.304 -12.598 1.00 0.00 N ATOM 332 C8 DA B 111 2.557 0.334 -13.798 1.00 0.00 C ATOM 333 N7 DA B 111 1.417 0.838 -14.161 1.00 0.00 N ATOM 334 C5 DA B 111 0.575 0.502 -13.105 1.00 0.00 C ATOM 335 C6 DA B 111 -0.783 0.742 -12.866 1.00 0.00 C ATOM 336 N6 DA B 111 -1.561 1.415 -13.713 1.00 0.00 N ATOM 337 N1 DA B 111 -1.304 0.268 -11.722 1.00 0.00 N ATOM 338 C2 DA B 111 -0.536 -0.403 -10.862 1.00 0.00 C ATOM 339 N3 DA B 111 0.761 -0.682 -10.990 1.00 0.00 N ATOM 340 C4 DA B 111 1.256 -0.195 -12.146 1.00 0.00 C ATOM 0 H5' DA B 111 6.840 1.407 -12.286 1.00 0.00 H new ATOM 0 H5'' DA B 111 7.823 0.134 -12.982 1.00 0.00 H new ATOM 0 H4' DA B 111 6.652 -0.800 -11.167 1.00 0.00 H new ATOM 0 H3' DA B 111 6.170 -1.820 -13.814 1.00 0.00 H new ATOM 0 H2' DA B 111 3.868 -1.993 -13.815 1.00 0.00 H new ATOM 0 H2'' DA B 111 4.004 -3.053 -12.426 1.00 0.00 H new ATOM 0 H1' DA B 111 3.286 -1.398 -10.990 1.00 0.00 H new ATOM 0 H8 DA B 111 3.445 0.416 -14.407 1.00 0.00 H new ATOM 0 H61 DA B 111 -2.546 1.563 -13.493 1.00 0.00 H new ATOM 0 H62 DA B 111 -1.172 1.782 -14.582 1.00 0.00 H new ATOM 0 H2 DA B 111 -1.018 -0.759 -9.964 1.00 0.00 H new ATOM 352 P DA B 112 6.299 -4.469 -12.701 1.00 0.00 P ATOM 353 OP1 DA B 112 7.452 -5.239 -12.182 1.00 0.00 O ATOM 354 OP2 DA B 112 6.050 -4.401 -14.158 1.00 0.00 O ATOM 355 O5' DA B 112 4.966 -5.008 -11.983 1.00 0.00 O ATOM 356 C5' DA B 112 4.912 -5.041 -10.559 1.00 0.00 C ATOM 357 C4' DA B 112 3.568 -5.540 -10.034 1.00 0.00 C ATOM 358 O4' DA B 112 2.523 -4.622 -10.446 1.00 0.00 O ATOM 359 C3' DA B 112 3.193 -6.918 -10.579 1.00 0.00 C ATOM 360 O3' DA B 112 2.690 -7.729 -9.509 1.00 0.00 O ATOM 361 C2' DA B 112 2.124 -6.667 -11.606 1.00 0.00 C ATOM 362 C1' DA B 112 1.543 -5.308 -11.263 1.00 0.00 C ATOM 363 N9 DA B 112 1.208 -4.537 -12.480 1.00 0.00 N ATOM 364 C8 DA B 112 1.953 -4.291 -13.601 1.00 0.00 C ATOM 365 N7 DA B 112 1.358 -3.579 -14.510 1.00 0.00 N ATOM 366 C5 DA B 112 0.108 -3.332 -13.947 1.00 0.00 C ATOM 367 C6 DA B 112 -1.013 -2.628 -14.396 1.00 0.00 C ATOM 368 N6 DA B 112 -1.058 -2.005 -15.572 1.00 0.00 N ATOM 369 N1 DA B 112 -2.085 -2.587 -13.583 1.00 0.00 N ATOM 370 C2 DA B 112 -2.052 -3.202 -12.399 1.00 0.00 C ATOM 371 N3 DA B 112 -1.044 -3.888 -11.883 1.00 0.00 N ATOM 372 C4 DA B 112 0.010 -3.913 -12.717 1.00 0.00 C ATOM 0 H5' DA B 112 5.102 -4.041 -10.169 1.00 0.00 H new ATOM 0 H5'' DA B 112 5.707 -5.686 -10.184 1.00 0.00 H new ATOM 0 H4' DA B 112 3.662 -5.604 -8.950 1.00 0.00 H new ATOM 0 H3' DA B 112 4.043 -7.442 -11.016 1.00 0.00 H new ATOM 0 H2' DA B 112 2.539 -6.673 -12.614 1.00 0.00 H new ATOM 0 H2'' DA B 112 1.358 -7.441 -11.572 1.00 0.00 H new ATOM 0 H1' DA B 112 0.606 -5.420 -10.718 1.00 0.00 H new ATOM 0 H8 DA B 112 2.960 -4.661 -13.721 1.00 0.00 H new ATOM 0 H61 DA B 112 -1.902 -1.505 -15.852 1.00 0.00 H new ATOM 0 H62 DA B 112 -0.249 -2.028 -16.193 1.00 0.00 H new ATOM 0 H2 DA B 112 -2.945 -3.132 -11.796 1.00 0.00 H new ATOM 384 P DC B 113 2.208 -9.242 -9.760 1.00 0.00 P ATOM 385 OP1 DC B 113 2.548 -10.037 -8.558 1.00 0.00 O ATOM 386 OP2 DC B 113 2.712 -9.666 -11.086 1.00 0.00 O ATOM 387 O5' DC B 113 0.595 -9.124 -9.846 1.00 0.00 O ATOM 388 C5' DC B 113 -0.141 -8.615 -8.723 1.00 0.00 C ATOM 389 C4' DC B 113 -1.661 -8.564 -8.959 1.00 0.00 C ATOM 390 O4' DC B 113 -2.024 -7.519 -9.889 1.00 0.00 O ATOM 391 C3' DC B 113 -2.214 -9.888 -9.491 1.00 0.00 C ATOM 392 O3' DC B 113 -3.197 -10.386 -8.586 1.00 0.00 O ATOM 393 C2' DC B 113 -2.870 -9.554 -10.808 1.00 0.00 C ATOM 394 C1' DC B 113 -2.885 -8.040 -10.927 1.00 0.00 C ATOM 395 N1 DC B 113 -2.401 -7.580 -12.251 1.00 0.00 N ATOM 396 C2 DC B 113 -3.248 -6.806 -13.045 1.00 0.00 C ATOM 397 O2 DC B 113 -4.402 -6.590 -12.685 1.00 0.00 O ATOM 398 N3 DC B 113 -2.756 -6.298 -14.207 1.00 0.00 N ATOM 399 C4 DC B 113 -1.490 -6.532 -14.578 1.00 0.00 C ATOM 400 N4 DC B 113 -1.044 -6.014 -15.722 1.00 0.00 N ATOM 401 C5 DC B 113 -0.619 -7.327 -13.765 1.00 0.00 C ATOM 402 C6 DC B 113 -1.125 -7.835 -12.623 1.00 0.00 C ATOM 0 H5' DC B 113 0.216 -7.612 -8.488 1.00 0.00 H new ATOM 0 H5'' DC B 113 0.063 -9.238 -7.852 1.00 0.00 H new ATOM 0 H4' DC B 113 -2.098 -8.360 -7.982 1.00 0.00 H new ATOM 0 H3' DC B 113 -1.434 -10.642 -9.603 1.00 0.00 H new ATOM 0 H2' DC B 113 -2.320 -10.000 -11.637 1.00 0.00 H new ATOM 0 H2'' DC B 113 -3.883 -9.954 -10.846 1.00 0.00 H new ATOM 0 H1' DC B 113 -3.909 -7.681 -10.821 1.00 0.00 H new ATOM 0 H41 DC B 113 -0.083 -6.183 -16.018 1.00 0.00 H new ATOM 0 H42 DC B 113 -1.664 -5.448 -16.302 1.00 0.00 H new ATOM 0 H5 DC B 113 0.404 -7.513 -14.056 1.00 0.00 H new ATOM 0 H6 DC B 113 -0.502 -8.455 -11.995 1.00 0.00 H new ATOM 414 P DA B 114 -3.982 -11.768 -8.841 1.00 0.00 P ATOM 415 OP1 DA B 114 -4.441 -12.282 -7.532 1.00 0.00 O ATOM 416 OP2 DA B 114 -3.145 -12.621 -9.714 1.00 0.00 O ATOM 417 O5' DA B 114 -5.280 -11.299 -9.684 1.00 0.00 O ATOM 418 C5' DA B 114 -6.201 -10.362 -9.116 1.00 0.00 C ATOM 419 C4' DA B 114 -7.375 -10.030 -10.054 1.00 0.00 C ATOM 420 O4' DA B 114 -6.923 -9.247 -11.196 1.00 0.00 O ATOM 421 C3' DA B 114 -8.041 -11.299 -10.598 1.00 0.00 C ATOM 422 O3' DA B 114 -9.458 -11.247 -10.384 1.00 0.00 O ATOM 423 C2' DA B 114 -7.747 -11.313 -12.076 1.00 0.00 C ATOM 424 C1' DA B 114 -7.245 -9.927 -12.439 1.00 0.00 C ATOM 425 N9 DA B 114 -6.073 -9.993 -13.334 1.00 0.00 N ATOM 426 C8 DA B 114 -4.896 -10.617 -13.120 1.00 0.00 C ATOM 427 N7 DA B 114 -3.984 -10.426 -14.026 1.00 0.00 N ATOM 428 C5 DA B 114 -4.624 -9.594 -14.940 1.00 0.00 C ATOM 429 C6 DA B 114 -4.208 -9.014 -16.146 1.00 0.00 C ATOM 430 N6 DA B 114 -2.976 -9.151 -16.636 1.00 0.00 N ATOM 431 N1 DA B 114 -5.097 -8.255 -16.806 1.00 0.00 N ATOM 432 C2 DA B 114 -6.320 -8.069 -16.311 1.00 0.00 C ATOM 433 N3 DA B 114 -6.815 -8.564 -15.175 1.00 0.00 N ATOM 434 C4 DA B 114 -5.903 -9.326 -14.534 1.00 0.00 C ATOM 0 H5' DA B 114 -5.670 -9.443 -8.868 1.00 0.00 H new ATOM 0 H5'' DA B 114 -6.592 -10.766 -8.182 1.00 0.00 H new ATOM 0 H4' DA B 114 -8.091 -9.462 -9.460 1.00 0.00 H new ATOM 0 H3' DA B 114 -7.666 -12.193 -10.100 1.00 0.00 H new ATOM 0 H2' DA B 114 -6.999 -12.069 -12.314 1.00 0.00 H new ATOM 0 H2'' DA B 114 -8.643 -11.561 -12.646 1.00 0.00 H new ATOM 0 H1' DA B 114 -8.012 -9.379 -12.986 1.00 0.00 H new ATOM 0 H8 DA B 114 -4.723 -11.235 -12.252 1.00 0.00 H new ATOM 0 H61 DA B 114 -2.726 -8.707 -17.520 1.00 0.00 H new ATOM 0 H62 DA B 114 -2.283 -9.700 -16.127 1.00 0.00 H new ATOM 0 H2 DA B 114 -6.985 -7.449 -16.894 1.00 0.00 H new ATOM 446 P DT B 115 -10.414 -12.456 -10.860 1.00 0.00 P ATOM 447 OP1 DT B 115 -11.631 -12.447 -10.019 1.00 0.00 O ATOM 448 OP2 DT B 115 -9.590 -13.681 -10.953 1.00 0.00 O ATOM 449 O5' DT B 115 -10.830 -12.013 -12.356 1.00 0.00 O ATOM 450 C5' DT B 115 -11.561 -10.801 -12.567 1.00 0.00 C ATOM 451 C4' DT B 115 -11.784 -10.503 -14.055 1.00 0.00 C ATOM 452 O4' DT B 115 -10.533 -10.131 -14.684 1.00 0.00 O ATOM 453 C3' DT B 115 -12.352 -11.709 -14.814 1.00 0.00 C ATOM 454 O3' DT B 115 -13.658 -11.425 -15.311 1.00 0.00 O ATOM 455 C2' DT B 115 -11.417 -11.930 -15.984 1.00 0.00 C ATOM 456 C1' DT B 115 -10.396 -10.796 -15.958 1.00 0.00 C ATOM 457 N1 DT B 115 -9.010 -11.311 -16.159 1.00 0.00 N ATOM 458 C2 DT B 115 -8.278 -10.841 -17.243 1.00 0.00 C ATOM 459 O2 DT B 115 -8.736 -10.016 -18.031 1.00 0.00 O ATOM 460 N3 DT B 115 -7.003 -11.355 -17.386 1.00 0.00 N ATOM 461 C4 DT B 115 -6.400 -12.282 -16.555 1.00 0.00 C ATOM 462 O4 DT B 115 -5.258 -12.675 -16.782 1.00 0.00 O ATOM 463 C5 DT B 115 -7.230 -12.714 -15.456 1.00 0.00 C ATOM 464 C7 DT B 115 -6.672 -13.742 -14.464 1.00 0.00 C ATOM 465 C6 DT B 115 -8.481 -12.225 -15.297 1.00 0.00 C ATOM 0 H5' DT B 115 -11.022 -9.971 -12.110 1.00 0.00 H new ATOM 0 H5'' DT B 115 -12.526 -10.870 -12.065 1.00 0.00 H new ATOM 0 H4' DT B 115 -12.505 -9.686 -14.101 1.00 0.00 H new ATOM 0 H3' DT B 115 -12.427 -12.580 -14.163 1.00 0.00 H new ATOM 0 H2' DT B 115 -10.921 -12.897 -15.904 1.00 0.00 H new ATOM 0 H2'' DT B 115 -11.969 -11.931 -16.924 1.00 0.00 H new ATOM 0 H1' DT B 115 -10.580 -10.096 -16.773 1.00 0.00 H new ATOM 0 H3 DT B 115 -6.455 -11.019 -18.178 1.00 0.00 H new ATOM 0 H71 DT B 115 -5.962 -14.392 -14.975 1.00 0.00 H new ATOM 0 H72 DT B 115 -6.168 -13.224 -13.648 1.00 0.00 H new ATOM 0 H73 DT B 115 -7.489 -14.341 -14.063 1.00 0.00 H new ATOM 0 H6 DT B 115 -9.077 -12.568 -14.464 1.00 0.00 H new ATOM 478 P DT B 116 -14.529 -12.580 -16.014 1.00 0.00 P ATOM 479 OP1 DT B 116 -15.957 -12.200 -15.931 1.00 0.00 O ATOM 480 OP2 DT B 116 -14.080 -13.888 -15.486 1.00 0.00 O ATOM 481 O5' DT B 116 -14.070 -12.469 -17.553 1.00 0.00 O ATOM 482 C5' DT B 116 -14.300 -11.266 -18.285 1.00 0.00 C ATOM 483 C4' DT B 116 -13.638 -11.298 -19.668 1.00 0.00 C ATOM 484 O4' DT B 116 -12.198 -11.354 -19.534 1.00 0.00 O ATOM 485 C3' DT B 116 -14.086 -12.506 -20.502 1.00 0.00 C ATOM 486 O3' DT B 116 -14.778 -12.074 -21.677 1.00 0.00 O ATOM 487 C2' DT B 116 -12.817 -13.239 -20.882 1.00 0.00 C ATOM 488 C1' DT B 116 -11.651 -12.397 -20.371 1.00 0.00 C ATOM 489 N1 DT B 116 -10.680 -13.230 -19.611 1.00 0.00 N ATOM 490 C2 DT B 116 -9.369 -13.294 -20.061 1.00 0.00 C ATOM 491 O2 DT B 116 -8.996 -12.703 -21.072 1.00 0.00 O ATOM 492 N3 DT B 116 -8.506 -14.062 -19.308 1.00 0.00 N ATOM 493 C4 DT B 116 -8.826 -14.768 -18.164 1.00 0.00 C ATOM 494 O4 DT B 116 -7.968 -15.413 -17.567 1.00 0.00 O ATOM 495 C5 DT B 116 -10.213 -14.652 -17.769 1.00 0.00 C ATOM 496 C7 DT B 116 -10.703 -15.426 -16.541 1.00 0.00 C ATOM 497 C6 DT B 116 -11.076 -13.899 -18.490 1.00 0.00 C ATOM 0 H5' DT B 116 -13.915 -10.418 -17.719 1.00 0.00 H new ATOM 0 H5'' DT B 116 -15.373 -11.112 -18.400 1.00 0.00 H new ATOM 0 H4' DT B 116 -13.946 -10.386 -20.179 1.00 0.00 H new ATOM 0 H3' DT B 116 -14.769 -13.145 -19.943 1.00 0.00 H new ATOM 0 H2' DT B 116 -12.798 -14.235 -20.439 1.00 0.00 H new ATOM 0 H2'' DT B 116 -12.755 -13.370 -21.962 1.00 0.00 H new ATOM 0 HO3' DT B 116 -15.056 -12.856 -22.199 1.00 0.00 H new ATOM 0 H1' DT B 116 -11.107 -11.964 -21.210 1.00 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ATOM 524 C6 DA C 117 -4.994 -14.536 -19.992 1.00 0.00 C ATOM 525 N6 DA C 117 -5.085 -15.241 -18.863 1.00 0.00 N ATOM 526 N1 DA C 117 -6.087 -13.915 -20.473 1.00 0.00 N ATOM 527 C2 DA C 117 -6.015 -13.205 -21.599 1.00 0.00 C ATOM 528 N3 DA C 117 -4.943 -13.015 -22.358 1.00 0.00 N ATOM 529 C4 DA C 117 -3.867 -13.652 -21.853 1.00 0.00 C ATOM 0 H5' DA C 117 -0.266 -16.150 -24.791 1.00 0.00 H new ATOM 0 H5'' DA C 117 1.247 -15.286 -24.978 1.00 0.00 H new ATOM 0 H4' DA C 117 -0.403 -14.023 -26.107 1.00 0.00 H new ATOM 0 H3' DA C 117 1.055 -12.854 -23.998 1.00 0.00 H new ATOM 0 H2' DA C 117 -0.567 -12.264 -22.466 1.00 0.00 H new ATOM 0 H2'' DA C 117 -1.170 -11.149 -23.676 1.00 0.00 H new ATOM 0 HO5' DA C 117 0.911 -16.005 -22.788 1.00 0.00 H new ATOM 0 H1' DA C 117 -3.014 -12.442 -24.011 1.00 0.00 H new ATOM 0 H8 DA C 117 -0.819 -14.617 -21.697 1.00 0.00 H new ATOM 0 H61 DA C 117 -5.977 -15.305 -18.372 1.00 0.00 H new ATOM 0 H62 DA C 117 -4.263 -15.716 -18.491 1.00 0.00 H new ATOM 0 H2 DA C 117 -6.928 -12.733 -21.930 1.00 0.00 H new ATOM 542 P DA C 118 0.861 -10.306 -25.305 1.00 0.00 P ATOM 543 OP1 DA C 118 1.580 -9.900 -26.534 1.00 0.00 O ATOM 544 OP2 DA C 118 1.568 -10.301 -24.006 1.00 0.00 O ATOM 545 O5' DA C 118 -0.453 -9.383 -25.163 1.00 0.00 O ATOM 546 C5' DA C 118 -1.387 -9.304 -26.240 1.00 0.00 C ATOM 547 C4' DA C 118 -2.571 -8.381 -25.928 1.00 0.00 C ATOM 548 O4' DA C 118 -3.426 -8.966 -24.904 1.00 0.00 O ATOM 549 C3' DA C 118 -2.122 -7.009 -25.418 1.00 0.00 C ATOM 550 O3' DA C 118 -2.707 -5.992 -26.233 1.00 0.00 O ATOM 551 C2' DA C 118 -2.631 -6.891 -24.004 1.00 0.00 C ATOM 552 C1' DA C 118 -3.564 -8.066 -23.771 1.00 0.00 C ATOM 553 N9 DA C 118 -3.258 -8.749 -22.502 1.00 0.00 N ATOM 554 C8 DA C 118 -2.067 -9.232 -22.076 1.00 0.00 C ATOM 555 N7 DA C 118 -2.092 -9.844 -20.928 1.00 0.00 N ATOM 556 C5 DA C 118 -3.431 -9.751 -20.552 1.00 0.00 C ATOM 557 C6 DA C 118 -4.135 -10.200 -19.426 1.00 0.00 C ATOM 558 N6 DA C 118 -3.565 -10.882 -18.431 1.00 0.00 N ATOM 559 N1 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612 O4' DG C 120 -8.797 -2.963 -19.682 1.00 0.00 O ATOM 613 C3' DG C 120 -9.775 -0.778 -19.434 1.00 0.00 C ATOM 614 O3' DG C 120 -11.005 -0.715 -18.707 1.00 0.00 O ATOM 615 C2' DG C 120 -8.634 -0.917 -18.471 1.00 0.00 C ATOM 616 C1' DG C 120 -8.283 -2.391 -18.455 1.00 0.00 C ATOM 617 N9 DG C 120 -6.826 -2.598 -18.307 1.00 0.00 N ATOM 618 C8 DG C 120 -5.807 -2.083 -19.046 1.00 0.00 C ATOM 619 N7 DG C 120 -4.616 -2.455 -18.689 1.00 0.00 N ATOM 620 C5 DG C 120 -4.857 -3.295 -17.607 1.00 0.00 C ATOM 621 C6 DG C 120 -3.942 -4.006 -16.787 1.00 0.00 C ATOM 622 O6 DG C 120 -2.717 -4.038 -16.864 1.00 0.00 O ATOM 623 N1 DG C 120 -4.600 -4.732 -15.803 1.00 0.00 N ATOM 624 C2 DG C 120 -5.970 -4.770 -15.629 1.00 0.00 C ATOM 625 N2 DG C 120 -6.418 -5.519 -14.622 1.00 0.00 N ATOM 626 N3 DG C 120 -6.833 -4.103 -16.401 1.00 0.00 N ATOM 627 C4 DG C 120 -6.210 -3.390 -17.365 1.00 0.00 C ATOM 0 H5' DG C 120 -9.223 -2.716 -22.272 1.00 0.00 H new ATOM 0 H5'' DG C 120 -10.189 -1.254 -22.249 1.00 0.00 H new ATOM 0 H4' DG C 120 -10.754 -2.473 -20.330 1.00 0.00 H new ATOM 0 H3' DG C 120 -9.688 0.124 -20.040 1.00 0.00 H new ATOM 0 H2' DG C 120 -7.781 -0.316 -18.786 1.00 0.00 H new ATOM 0 H2'' DG C 120 -8.918 -0.572 -17.477 1.00 0.00 H new ATOM 0 H1' DG C 120 -8.735 -2.887 -17.596 1.00 0.00 H new ATOM 0 H8 DG C 120 -5.977 -1.410 -19.874 1.00 0.00 H new ATOM 0 H1 DG C 120 -4.028 -5.279 -15.159 1.00 0.00 H new ATOM 0 H21 DG C 120 -7.420 -5.587 -14.443 1.00 0.00 H new ATOM 0 H22 DG C 120 -5.759 -6.025 -14.030 1.00 0.00 H new ATOM 639 P DT C 121 -11.332 0.504 -17.708 1.00 0.00 P ATOM 640 OP1 DT C 121 -12.803 0.630 -17.594 1.00 0.00 O ATOM 641 OP2 DT C 121 -10.520 1.671 -18.119 1.00 0.00 O ATOM 642 O5' DT C 121 -10.752 -0.053 -16.302 1.00 0.00 O ATOM 643 C5' DT C 121 -11.286 -1.264 -15.754 1.00 0.00 C ATOM 644 C4' DT C 121 -10.528 -1.771 -14.514 1.00 0.00 C ATOM 645 O4' DT C 121 -9.149 -2.097 -14.819 1.00 0.00 O ATOM 646 C3' DT C 121 -10.500 -0.748 -13.373 1.00 0.00 C ATOM 647 O3' DT C 121 -11.390 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121 -8.230 -2.758 -13.063 1.00 0.00 H new ATOM 0 H3 DT C 121 -3.991 -1.278 -12.612 1.00 0.00 H new ATOM 0 H71 DT C 121 -5.778 -0.088 -17.549 1.00 0.00 H new ATOM 0 H72 DT C 121 -5.327 1.380 -16.649 1.00 0.00 H new ATOM 0 H73 DT C 121 -4.087 0.170 -17.057 1.00 0.00 H new ATOM 0 H6 DT C 121 -7.424 -0.723 -15.918 1.00 0.00 H new ATOM 671 P DT C 122 -11.808 -0.096 -11.180 1.00 0.00 P ATOM 672 OP1 DT C 122 -13.047 -0.592 -10.542 1.00 0.00 O ATOM 673 OP2 DT C 122 -11.761 1.264 -11.752 1.00 0.00 O ATOM 674 O5' DT C 122 -10.616 -0.233 -10.113 1.00 0.00 O ATOM 675 C5' DT C 122 -10.383 -1.493 -9.493 1.00 0.00 C ATOM 676 C4' DT C 122 -9.086 -1.523 -8.687 1.00 0.00 C ATOM 677 O4' DT C 122 -7.938 -1.498 -9.564 1.00 0.00 O ATOM 678 C3' DT C 122 -8.973 -0.330 -7.728 1.00 0.00 C ATOM 679 O3' DT C 122 -9.112 -0.769 -6.372 1.00 0.00 O ATOM 680 C2' DT C 122 -7.589 0.238 -7.961 1.00 0.00 C ATOM 681 C1' DT C 122 -6.920 -0.647 -9.005 1.00 0.00 C ATOM 682 N1 DT C 122 -6.247 0.168 -10.062 1.00 0.00 N ATOM 683 C2 DT C 122 -4.867 0.056 -10.178 1.00 0.00 C ATOM 684 O2 DT C 122 -4.210 -0.667 -9.433 1.00 0.00 O ATOM 685 N3 DT C 122 -4.271 0.804 -11.174 1.00 0.00 N ATOM 686 C4 DT C 122 -4.916 1.645 -12.059 1.00 0.00 C ATOM 687 O4 DT C 122 -4.280 2.266 -12.908 1.00 0.00 O ATOM 688 C5 DT C 122 -6.347 1.709 -11.876 1.00 0.00 C ATOM 689 C7 DT C 122 -7.163 2.609 -12.809 1.00 0.00 C ATOM 690 C6 DT C 122 -6.964 0.986 -10.904 1.00 0.00 C ATOM 0 H5' DT C 122 -10.349 -2.269 -10.258 1.00 0.00 H new ATOM 0 H5'' DT C 122 -11.220 -1.730 -8.836 1.00 0.00 H new ATOM 0 H4' DT C 122 -9.108 -2.447 -8.109 1.00 0.00 H new ATOM 0 H3' DT C 122 -9.752 0.412 -7.904 1.00 0.00 H new ATOM 0 H2' DT C 122 -7.648 1.269 -8.309 1.00 0.00 H new ATOM 0 H2'' DT C 122 -7.014 0.246 -7.035 1.00 0.00 H new ATOM 0 H1' DT C 122 -6.137 -1.249 -8.544 1.00 0.00 H new ATOM 0 H3 DT C 122 -3.258 0.728 -11.265 1.00 0.00 H new ATOM 0 H71 DT C 122 -6.551 3.454 -13.126 1.00 0.00 H new ATOM 0 H72 DT C 122 -7.476 2.038 -13.684 1.00 0.00 H new ATOM 0 H73 DT C 122 -8.044 2.976 -12.282 1.00 0.00 H new ATOM 0 H6 DT C 122 -8.036 1.055 -10.791 1.00 0.00 H new ATOM 703 P DT C 123 -9.037 0.270 -5.142 1.00 0.00 P ATOM 704 OP1 DT C 123 -9.821 -0.289 -4.018 1.00 0.00 O ATOM 705 OP2 DT C 123 -9.345 1.623 -5.656 1.00 0.00 O ATOM 706 O5' DT C 123 -7.481 0.227 -4.740 1.00 0.00 O ATOM 707 C5' DT C 123 -6.910 -1.014 -4.327 1.00 0.00 C ATOM 708 C4' DT C 123 -5.406 -0.922 -4.067 1.00 0.00 C ATOM 709 O4' DT C 123 -4.694 -0.611 -5.292 1.00 0.00 O ATOM 710 C3' DT C 123 -5.036 0.154 -3.043 1.00 0.00 C ATOM 711 O3' DT C 123 -4.262 -0.459 -2.003 1.00 0.00 O ATOM 712 C2' DT C 123 -4.230 1.178 -3.788 1.00 0.00 C ATOM 713 C1' DT C 123 -3.802 0.510 -5.082 1.00 0.00 C ATOM 714 N1 DT C 123 -3.832 1.448 -6.248 1.00 0.00 N ATOM 715 C2 DT C 123 -2.658 1.613 -6.977 1.00 0.00 C ATOM 716 O2 DT C 123 -1.616 1.041 -6.665 1.00 0.00 O ATOM 717 N3 DT C 123 -2.727 2.448 -8.075 1.00 0.00 N ATOM 718 C4 DT C 123 -3.848 3.128 -8.510 1.00 0.00 C ATOM 719 O4 DT C 123 -3.798 3.842 -9.508 1.00 0.00 O ATOM 720 C5 DT C 123 -5.026 2.908 -7.701 1.00 0.00 C ATOM 721 C7 DT C 123 -6.333 3.599 -8.101 1.00 0.00 C ATOM 722 C6 DT C 123 -4.986 2.095 -6.616 1.00 0.00 C ATOM 0 H5' DT C 123 -7.095 -1.766 -5.094 1.00 0.00 H new ATOM 0 H5'' DT C 123 -7.410 -1.354 -3.420 1.00 0.00 H new ATOM 0 H4' DT C 123 -5.120 -1.898 -3.674 1.00 0.00 H new ATOM 0 H3' DT C 123 -5.907 0.622 -2.584 1.00 0.00 H new ATOM 0 H2' DT C 123 -4.822 2.072 -3.987 1.00 0.00 H new ATOM 0 H2'' DT C 123 -3.364 1.492 -3.206 1.00 0.00 H new ATOM 0 H1' DT C 123 -2.766 0.180 -5.001 1.00 0.00 H new ATOM 0 H3 DT C 123 -1.871 2.574 -8.615 1.00 0.00 H new ATOM 0 H71 DT C 123 -6.108 4.542 -8.600 1.00 0.00 H new ATOM 0 H72 DT C 123 -6.893 2.954 -8.779 1.00 0.00 H new ATOM 0 H73 DT C 123 -6.929 3.793 -7.210 1.00 0.00 H new ATOM 0 H6 DT C 123 -5.881 1.953 -6.029 1.00 0.00 H new ATOM 735 P DA C 124 -3.644 0.365 -0.760 1.00 0.00 P ATOM 736 OP1 DA C 124 -3.801 -0.455 0.462 1.00 0.00 O ATOM 737 OP2 DA C 124 -4.191 1.740 -0.800 1.00 0.00 O ATOM 738 O5' DA C 124 -2.065 0.433 -1.131 1.00 0.00 O ATOM 739 C5' DA C 124 -1.357 -0.807 -1.277 1.00 0.00 C ATOM 740 C4' DA C 124 0.142 -0.668 -1.630 1.00 0.00 C ATOM 741 O4' DA C 124 0.292 -0.004 -2.912 1.00 0.00 O ATOM 742 C3' DA C 124 0.906 0.163 -0.591 1.00 0.00 C ATOM 743 O3' DA C 124 2.192 -0.409 -0.312 1.00 0.00 O ATOM 744 C2' DA C 124 1.100 1.507 -1.240 1.00 0.00 C ATOM 745 C1' DA C 124 0.883 1.305 -2.734 1.00 0.00 C ATOM 746 N9 DA C 124 0.018 2.352 -3.293 1.00 0.00 N ATOM 747 C8 DA C 124 -1.203 2.726 -2.868 1.00 0.00 C ATOM 748 N7 DA C 124 -1.793 3.635 -3.579 1.00 0.00 N ATOM 749 C5 DA C 124 -0.864 3.894 -4.581 1.00 0.00 C ATOM 750 C6 DA C 124 -0.873 4.768 -5.669 1.00 0.00 C ATOM 751 N6 DA C 124 -1.904 5.561 -5.948 1.00 0.00 N ATOM 752 N1 DA C 124 0.212 4.781 -6.461 1.00 0.00 N ATOM 753 C2 DA C 124 1.245 3.978 -6.200 1.00 0.00 C ATOM 754 N3 DA C 124 1.353 3.107 -5.195 1.00 0.00 N ATOM 755 C4 DA C 124 0.250 3.119 -4.417 1.00 0.00 C ATOM 0 H5' DA C 124 -1.844 -1.397 -2.054 1.00 0.00 H new ATOM 0 H5'' DA C 124 -1.445 -1.369 -0.347 1.00 0.00 H new ATOM 0 H4' DA C 124 0.551 -1.678 -1.655 1.00 0.00 H new ATOM 0 H3' DA C 124 0.362 0.212 0.352 1.00 0.00 H new ATOM 0 H2' DA C 124 0.394 2.235 -0.841 1.00 0.00 H new ATOM 0 H2'' DA C 124 2.101 1.892 -1.042 1.00 0.00 H new ATOM 0 H1' DA C 124 1.833 1.371 -3.264 1.00 0.00 H new ATOM 0 H8 DA C 124 -1.662 2.296 -1.990 1.00 0.00 H new ATOM 0 H61 DA C 124 -1.865 6.184 -6.755 1.00 0.00 H new ATOM 0 H62 DA C 124 -2.734 5.546 -5.355 1.00 0.00 H new ATOM 0 H2 DA C 124 2.085 4.040 -6.876 1.00 0.00 H new ATOM 767 P DT C 125 3.193 0.287 0.755 1.00 0.00 P ATOM 768 OP1 DT C 125 4.109 -0.756 1.271 1.00 0.00 O ATOM 769 OP2 DT C 125 2.380 1.083 1.701 1.00 0.00 O ATOM 770 O5' DT C 125 4.058 1.308 -0.156 1.00 0.00 O ATOM 771 C5' DT C 125 4.844 0.793 -1.233 1.00 0.00 C ATOM 772 C4' DT C 125 5.449 1.877 -2.146 1.00 0.00 C ATOM 773 O4' DT C 125 4.410 2.522 -2.932 1.00 0.00 O ATOM 774 C3' DT C 125 6.185 2.992 -1.381 1.00 0.00 C ATOM 775 O3' DT C 125 7.510 3.151 -1.931 1.00 0.00 O ATOM 776 C2' DT C 125 5.377 4.237 -1.613 1.00 0.00 C ATOM 777 C1' DT C 125 4.588 3.955 -2.878 1.00 0.00 C ATOM 778 N1 DT C 125 3.285 4.689 -2.965 1.00 0.00 N ATOM 779 C2 DT C 125 3.031 5.401 -4.134 1.00 0.00 C ATOM 780 O2 DT C 125 3.864 5.494 -5.032 1.00 0.00 O ATOM 781 N3 DT C 125 1.794 6.002 -4.231 1.00 0.00 N ATOM 782 C4 DT C 125 0.791 5.957 -3.282 1.00 0.00 C ATOM 783 O4 DT C 125 -0.310 6.446 -3.508 1.00 0.00 O ATOM 784 C5 DT C 125 1.135 5.216 -2.098 1.00 0.00 C ATOM 785 C7 DT C 125 0.116 5.151 -0.961 1.00 0.00 C ATOM 786 C6 DT C 125 2.342 4.614 -1.972 1.00 0.00 C ATOM 0 H5' DT C 125 4.224 0.130 -1.836 1.00 0.00 H new ATOM 0 H5'' DT C 125 5.652 0.187 -0.822 1.00 0.00 H new ATOM 0 H4' DT C 125 6.167 1.347 -2.772 1.00 0.00 H new ATOM 0 H3' DT C 125 6.286 2.771 -0.318 1.00 0.00 H new ATOM 0 H2' DT C 125 4.715 4.442 -0.771 1.00 0.00 H new ATOM 0 H2'' DT C 125 6.020 5.109 -1.733 1.00 0.00 H new ATOM 0 H1' DT C 125 5.141 4.324 -3.741 1.00 0.00 H new ATOM 0 H3 DT C 125 1.601 6.529 -5.083 1.00 0.00 H new ATOM 0 H71 DT C 125 0.232 4.211 -0.422 1.00 0.00 H new ATOM 0 H72 DT C 125 0.280 5.984 -0.277 1.00 0.00 H new ATOM 0 H73 DT C 125 -0.892 5.212 -1.372 1.00 0.00 H new ATOM 0 H6 DT C 125 2.566 4.063 -1.070 1.00 0.00 H new ATOM 799 P DC C 126 8.565 4.240 -1.365 1.00 0.00 P ATOM 800 OP1 DC C 126 9.919 3.642 -1.419 1.00 0.00 O ATOM 801 OP2 DC C 126 8.043 4.761 -0.084 1.00 0.00 O ATOM 802 O5' DC C 126 8.518 5.440 -2.453 1.00 0.00 O ATOM 803 C5' DC C 126 8.884 5.174 -3.820 1.00 0.00 C ATOM 804 C4' DC C 126 8.789 6.413 -4.731 1.00 0.00 C ATOM 805 O4' DC C 126 7.409 6.799 -4.939 1.00 0.00 O ATOM 806 C3' DC C 126 9.535 7.621 -4.140 1.00 0.00 C ATOM 807 O3' DC C 126 10.531 8.098 -5.045 1.00 0.00 O ATOM 808 C2' DC C 126 8.490 8.693 -3.930 1.00 0.00 C ATOM 809 C1' DC C 126 7.196 8.180 -4.555 1.00 0.00 C ATOM 810 N1 DC C 126 6.075 8.272 -3.582 1.00 0.00 N ATOM 811 C2 DC C 126 4.954 9.036 -3.909 1.00 0.00 C ATOM 812 O2 DC C 126 4.914 9.664 -4.968 1.00 0.00 O ATOM 813 N3 DC C 126 3.921 9.071 -3.024 1.00 0.00 N ATOM 814 C4 DC C 126 3.981 8.392 -1.871 1.00 0.00 C ATOM 815 N4 DC C 126 2.956 8.448 -1.028 1.00 0.00 N ATOM 816 C5 DC C 126 5.128 7.615 -1.533 1.00 0.00 C ATOM 817 C6 DC C 126 6.143 7.586 -2.411 1.00 0.00 C ATOM 0 H5' DC C 126 8.237 4.391 -4.216 1.00 0.00 H new ATOM 0 H5'' DC C 126 9.904 4.790 -3.847 1.00 0.00 H new ATOM 0 H4' DC C 126 9.251 6.131 -5.677 1.00 0.00 H new ATOM 0 H3' DC C 126 10.040 7.349 -3.213 1.00 0.00 H new ATOM 0 H2' DC C 126 8.352 8.895 -2.868 1.00 0.00 H new ATOM 0 H2'' DC C 126 8.799 9.629 -4.395 1.00 0.00 H new ATOM 0 H1' DC C 126 6.934 8.784 -5.424 1.00 0.00 H new ATOM 0 H41 DC C 126 2.991 7.935 -0.147 1.00 0.00 H new ATOM 0 H42 DC C 126 2.134 9.004 -1.261 1.00 0.00 H new ATOM 0 H5 DC C 126 5.178 7.069 -0.603 1.00 0.00 H new ATOM 0 H6 DC C 126 7.027 7.009 -2.183 1.00 0.00 H new ATOM 829 P DT C 127 11.603 9.197 -4.561 1.00 0.00 P ATOM 830 OP1 DT C 127 12.761 9.149 -5.482 1.00 0.00 O ATOM 831 OP2 DT C 127 11.813 9.019 -3.106 1.00 0.00 O ATOM 832 O5' DT C 127 10.835 10.596 -4.788 1.00 0.00 O ATOM 833 C5' DT C 127 10.482 11.038 -6.100 1.00 0.00 C ATOM 834 C4' DT C 127 9.564 12.266 -6.052 1.00 0.00 C ATOM 835 O4' DT C 127 8.250 11.904 -5.561 1.00 0.00 O ATOM 836 C3' DT C 127 10.120 13.367 -5.133 1.00 0.00 C ATOM 837 O3' DT C 127 10.555 14.503 -5.886 1.00 0.00 O ATOM 838 C2' DT C 127 8.966 13.760 -4.235 1.00 0.00 C ATOM 839 C1' DT C 127 7.761 12.934 -4.676 1.00 0.00 C ATOM 840 N1 DT C 127 7.035 12.358 -3.500 1.00 0.00 N ATOM 841 C2 DT C 127 5.697 12.703 -3.331 1.00 0.00 C ATOM 842 O2 DT C 127 5.112 13.445 -4.118 1.00 0.00 O ATOM 843 N3 DT C 127 5.057 12.166 -2.228 1.00 0.00 N ATOM 844 C4 DT C 127 5.624 11.328 -1.287 1.00 0.00 C ATOM 845 O4 DT C 127 4.958 10.904 -0.344 1.00 0.00 O ATOM 846 C5 DT C 127 7.017 11.018 -1.531 1.00 0.00 C ATOM 847 C7 DT C 127 7.761 10.126 -0.531 1.00 0.00 C ATOM 848 C6 DT C 127 7.668 11.527 -2.608 1.00 0.00 C ATOM 0 H5' DT C 127 9.983 10.230 -6.635 1.00 0.00 H new ATOM 0 H5'' DT C 127 11.386 11.280 -6.659 1.00 0.00 H new ATOM 0 H4' DT C 127 9.504 12.643 -7.073 1.00 0.00 H new ATOM 0 H3' DT C 127 10.985 13.011 -4.573 1.00 0.00 H new ATOM 0 H2' DT C 127 9.206 13.565 -3.190 1.00 0.00 H new ATOM 0 H2'' DT C 127 8.756 14.826 -4.320 1.00 0.00 H new ATOM 0 H1' DT C 127 7.036 13.561 -5.195 1.00 0.00 H new ATOM 0 H3 DT C 127 4.076 12.412 -2.097 1.00 0.00 H new ATOM 0 H71 DT C 127 7.337 10.263 0.464 1.00 0.00 H new ATOM 0 H72 DT C 127 7.659 9.082 -0.828 1.00 0.00 H new ATOM 0 H73 DT C 127 8.817 10.398 -0.516 1.00 0.00 H new ATOM 0 H6 DT C 127 8.706 11.273 -2.767 1.00 0.00 H new ATOM 861 P DG C 128 11.204 15.778 -5.137 1.00 0.00 P ATOM 862 OP1 DG C 128 12.070 16.490 -6.101 1.00 0.00 O ATOM 863 OP2 DG C 128 11.764 15.315 -3.849 1.00 0.00 O ATOM 864 O5' DG C 128 9.933 16.718 -4.818 1.00 0.00 O ATOM 865 C5' DG C 128 9.134 17.246 -5.881 1.00 0.00 C ATOM 866 C4' DG C 128 7.980 18.111 -5.358 1.00 0.00 C ATOM 867 O4' DG C 128 7.036 17.303 -4.615 1.00 0.00 O ATOM 868 C3' DG C 128 8.472 19.240 -4.438 1.00 0.00 C ATOM 869 O3' DG C 128 8.102 20.506 -4.986 1.00 0.00 O ATOM 870 C2' DG C 128 7.785 19.019 -3.111 1.00 0.00 C ATOM 871 C1' DG C 128 6.831 17.849 -3.294 1.00 0.00 C ATOM 872 N9 DG C 128 7.062 16.829 -2.262 1.00 0.00 N ATOM 873 C8 DG C 128 8.187 16.115 -2.027 1.00 0.00 C ATOM 874 N7 DG C 128 8.107 15.252 -1.059 1.00 0.00 N ATOM 875 C5 DG C 128 6.801 15.413 -0.603 1.00 0.00 C ATOM 876 C6 DG C 128 6.114 14.750 0.449 1.00 0.00 C ATOM 877 O6 DG C 128 6.531 13.868 1.195 1.00 0.00 O ATOM 878 N1 DG C 128 4.812 15.219 0.581 1.00 0.00 N ATOM 879 C2 DG C 128 4.241 16.202 -0.201 1.00 0.00 C ATOM 880 N2 DG C 128 2.984 16.535 0.093 1.00 0.00 N ATOM 881 N3 DG C 128 4.884 16.822 -1.194 1.00 0.00 N ATOM 882 C4 DG C 128 6.153 16.381 -1.336 1.00 0.00 C ATOM 0 H5' DG C 128 8.732 16.425 -6.474 1.00 0.00 H new ATOM 0 H5'' DG C 128 9.761 17.841 -6.545 1.00 0.00 H new ATOM 0 H4' DG C 128 7.503 18.551 -6.233 1.00 0.00 H new ATOM 0 H3' DG C 128 9.557 19.234 -4.329 1.00 0.00 H new ATOM 0 H2' DG C 128 8.514 18.803 -2.330 1.00 0.00 H new ATOM 0 H2'' DG C 128 7.244 19.914 -2.803 1.00 0.00 H new ATOM 0 H1' DG C 128 5.800 18.186 -3.191 1.00 0.00 H new ATOM 0 H8 DG C 128 9.089 16.253 -2.604 1.00 0.00 H new ATOM 0 H1 DG C 128 4.234 14.804 1.312 1.00 0.00 H new ATOM 0 H21 DG C 128 2.507 17.255 -0.449 1.00 0.00 H new ATOM 0 H22 DG C 128 2.499 16.069 0.860 1.00 0.00 H new ATOM 894 P DC C 129 8.666 21.886 -4.381 1.00 0.00 P ATOM 895 OP1 DC C 129 8.612 22.910 -5.448 1.00 0.00 O ATOM 896 OP2 DC C 129 9.948 21.602 -3.699 1.00 0.00 O ATOM 897 O5' DC C 129 7.576 22.274 -3.258 1.00 0.00 O ATOM 898 C5' DC C 129 6.210 22.486 -3.623 1.00 0.00 C ATOM 899 C4' DC C 129 5.337 22.846 -2.414 1.00 0.00 C ATOM 900 O4' DC C 129 5.174 21.709 -1.533 1.00 0.00 O ATOM 901 C3' DC C 129 5.946 23.991 -1.601 1.00 0.00 C ATOM 902 O3' DC C 129 5.024 25.080 -1.520 1.00 0.00 O ATOM 903 C2' DC C 129 6.199 23.430 -0.223 1.00 0.00 C ATOM 904 C1' DC C 129 5.575 22.046 -0.183 1.00 0.00 C ATOM 905 N1 DC C 129 6.520 21.020 0.350 1.00 0.00 N ATOM 906 C2 DC C 129 6.144 20.311 1.493 1.00 0.00 C ATOM 907 O2 DC C 129 5.084 20.575 2.059 1.00 0.00 O ATOM 908 N3 DC C 129 6.970 19.335 1.956 1.00 0.00 N ATOM 909 C4 DC C 129 8.121 19.056 1.336 1.00 0.00 C ATOM 910 N4 DC C 129 8.901 18.086 1.816 1.00 0.00 N ATOM 911 C5 DC C 129 8.522 19.780 0.167 1.00 0.00 C ATOM 912 C6 DC C 129 7.699 20.748 -0.289 1.00 0.00 C ATOM 0 H5' DC C 129 5.818 21.586 -4.097 1.00 0.00 H new ATOM 0 H5'' DC C 129 6.153 23.286 -4.361 1.00 0.00 H new ATOM 0 H4' DC C 129 4.370 23.154 -2.812 1.00 0.00 H new ATOM 0 H3' DC C 129 6.861 24.365 -2.060 1.00 0.00 H new ATOM 0 H2' DC C 129 7.268 23.376 -0.019 1.00 0.00 H new ATOM 0 H2'' DC C 129 5.761 24.072 0.541 1.00 0.00 H new ATOM 0 H1' DC C 129 4.718 22.056 0.490 1.00 0.00 H new ATOM 0 H41 DC C 129 9.782 17.863 1.352 1.00 0.00 H new ATOM 0 H42 DC C 129 8.617 17.567 2.647 1.00 0.00 H new ATOM 0 H5 DC C 129 9.453 19.559 -0.334 1.00 0.00 H new ATOM 0 H6 DC C 129 7.974 21.314 -1.167 1.00 0.00 H new ATOM 924 P DA C 130 5.435 26.452 -0.791 1.00 0.00 P ATOM 925 OP1 DA C 130 4.594 27.535 -1.349 1.00 0.00 O ATOM 926 OP2 DA C 130 6.910 26.571 -0.834 1.00 0.00 O ATOM 927 O5' DA C 130 4.992 26.216 0.741 1.00 0.00 O ATOM 928 C5' DA C 130 3.624 25.962 1.075 1.00 0.00 C ATOM 929 C4' DA C 130 3.430 25.769 2.586 1.00 0.00 C ATOM 930 O4' DA C 130 4.011 24.517 3.031 1.00 0.00 O ATOM 931 C3' DA C 130 4.089 26.904 3.383 1.00 0.00 C ATOM 932 O3' DA C 130 3.164 27.463 4.320 1.00 0.00 O ATOM 933 C2' DA C 130 5.238 26.257 4.119 1.00 0.00 C ATOM 934 C1' DA C 130 4.988 24.760 4.067 1.00 0.00 C ATOM 935 N9 DA C 130 6.224 24.004 3.815 1.00 0.00 N ATOM 936 C8 DA C 130 7.112 24.151 2.806 1.00 0.00 C ATOM 937 N7 DA C 130 8.088 23.296 2.795 1.00 0.00 N ATOM 938 C5 DA C 130 7.819 22.504 3.908 1.00 0.00 C ATOM 939 C6 DA C 130 8.474 21.405 4.466 1.00 0.00 C ATOM 940 N6 DA C 130 9.583 20.882 3.946 1.00 0.00 N ATOM 941 N1 DA C 130 7.938 20.861 5.573 1.00 0.00 N ATOM 942 C2 DA C 130 6.822 21.369 6.098 1.00 0.00 C ATOM 943 N3 DA C 130 6.124 22.405 5.645 1.00 0.00 N ATOM 944 C4 DA C 130 6.686 22.928 4.537 1.00 0.00 C ATOM 0 H5' DA C 130 3.281 25.072 0.548 1.00 0.00 H new ATOM 0 H5'' DA C 130 3.006 26.792 0.733 1.00 0.00 H new ATOM 0 H4' DA C 130 2.355 25.767 2.764 1.00 0.00 H new ATOM 0 H3' DA C 130 4.418 27.715 2.733 1.00 0.00 H new ATOM 0 H2' DA C 130 6.190 26.509 3.652 1.00 0.00 H new ATOM 0 H2'' DA C 130 5.286 26.608 5.150 1.00 0.00 H new ATOM 0 H1' DA C 130 4.616 24.417 5.033 1.00 0.00 H new ATOM 0 H8 DA C 130 7.016 24.927 2.061 1.00 0.00 H new ATOM 0 H61 DA C 130 10.025 20.078 4.391 1.00 0.00 H new ATOM 0 H62 DA C 130 9.990 21.286 3.103 1.00 0.00 H new ATOM 0 H2 DA C 130 6.445 20.886 6.987 1.00 0.00 H new ATOM 956 P DA C 131 3.603 28.676 5.286 1.00 0.00 P ATOM 957 OP1 DA C 131 2.390 29.451 5.631 1.00 0.00 O ATOM 958 OP2 DA C 131 4.761 29.360 4.666 1.00 0.00 O ATOM 959 O5' DA C 131 4.116 27.916 6.617 1.00 0.00 O ATOM 960 C5' DA C 131 3.194 27.135 7.386 1.00 0.00 C ATOM 961 C4' DA C 131 3.835 26.477 8.621 1.00 0.00 C ATOM 962 O4' DA C 131 4.727 25.401 8.239 1.00 0.00 O ATOM 963 C3' DA C 131 4.635 27.479 9.464 1.00 0.00 C ATOM 964 O3' DA C 131 4.069 27.603 10.773 1.00 0.00 O ATOM 965 C2' DA C 131 6.025 26.895 9.578 1.00 0.00 C ATOM 966 C1' DA C 131 5.985 25.514 8.944 1.00 0.00 C ATOM 967 N9 DA C 131 7.123 25.308 8.035 1.00 0.00 N ATOM 968 C8 DA C 131 7.472 26.036 6.953 1.00 0.00 C ATOM 969 N7 DA C 131 8.535 25.628 6.323 1.00 0.00 N ATOM 970 C5 DA C 131 8.929 24.515 7.066 1.00 0.00 C ATOM 971 C6 DA C 131 9.993 23.611 6.936 1.00 0.00 C ATOM 972 N6 DA C 131 10.910 23.694 5.971 1.00 0.00 N ATOM 973 N1 DA C 131 10.081 22.625 7.847 1.00 0.00 N ATOM 974 C2 DA C 131 9.183 22.534 8.828 1.00 0.00 C ATOM 975 N3 DA C 131 8.141 23.335 9.041 1.00 0.00 N ATOM 976 C4 DA C 131 8.075 24.312 8.113 1.00 0.00 C ATOM 0 H5' DA C 131 2.767 26.359 6.750 1.00 0.00 H new ATOM 0 H5'' DA C 131 2.370 27.772 7.709 1.00 0.00 H new ATOM 0 H4' DA C 131 3.007 26.089 9.215 1.00 0.00 H new ATOM 0 H3' DA C 131 4.632 28.468 9.007 1.00 0.00 H new ATOM 0 H2' DA C 131 6.752 27.530 9.072 1.00 0.00 H new ATOM 0 H2'' DA C 131 6.331 26.830 10.622 1.00 0.00 H new ATOM 0 H1' DA C 131 6.063 24.744 9.712 1.00 0.00 H new ATOM 0 H8 DA C 131 6.907 26.899 6.632 1.00 0.00 H new ATOM 0 H61 DA C 131 11.664 23.009 5.923 1.00 0.00 H new ATOM 0 H62 DA C 131 10.857 24.443 5.281 1.00 0.00 H new ATOM 0 H2 DA C 131 9.315 21.721 9.527 1.00 0.00 H new ATOM 988 P DC C 132 4.725 28.603 11.855 1.00 0.00 P ATOM 989 OP1 DC C 132 3.675 28.986 12.826 1.00 0.00 O ATOM 990 OP2 DC C 132 5.464 29.654 11.120 1.00 0.00 O ATOM 991 O5' DC C 132 5.804 27.672 12.615 1.00 0.00 O ATOM 992 C5' DC C 132 5.404 26.454 13.253 1.00 0.00 C ATOM 993 C4' DC C 132 6.607 25.656 13.779 1.00 0.00 C ATOM 994 O4' DC C 132 7.377 25.090 12.689 1.00 0.00 O ATOM 995 C3' DC C 132 7.556 26.525 14.618 1.00 0.00 C ATOM 996 O3' DC C 132 7.491 26.156 15.998 1.00 0.00 O ATOM 997 C2' DC C 132 8.945 26.257 14.066 1.00 0.00 C ATOM 998 C1' DC C 132 8.792 25.240 12.948 1.00 0.00 C ATOM 999 N1 DC C 132 9.525 25.676 11.724 1.00 0.00 N ATOM 1000 C2 DC C 132 10.617 24.923 11.292 1.00 0.00 C ATOM 1001 O2 DC C 132 10.957 23.919 11.914 1.00 0.00 O ATOM 1002 N3 DC C 132 11.282 25.330 10.175 1.00 0.00 N ATOM 1003 C4 DC C 132 10.894 26.420 9.501 1.00 0.00 C ATOM 1004 N4 DC C 132 11.548 26.776 8.393 1.00 0.00 N ATOM 1005 C5 DC C 132 9.777 27.195 9.942 1.00 0.00 C ATOM 1006 C6 DC C 132 9.129 26.785 11.052 1.00 0.00 C ATOM 0 H5' DC C 132 4.844 25.842 12.546 1.00 0.00 H new ATOM 0 H5'' DC C 132 4.731 26.682 14.080 1.00 0.00 H new ATOM 0 H4' DC C 132 6.190 24.865 14.403 1.00 0.00 H new ATOM 0 H3' DC C 132 7.291 27.581 14.560 1.00 0.00 H new ATOM 0 H2' DC C 132 9.395 27.177 13.692 1.00 0.00 H new ATOM 0 H2'' DC C 132 9.603 25.875 14.847 1.00 0.00 H new ATOM 0 HO3' DC C 132 8.103 26.719 16.516 1.00 0.00 H new ATOM 0 H1' DC C 132 9.223 24.283 13.242 1.00 0.00 H new ATOM 0 H41 DC C 132 11.258 27.605 7.874 1.00 0.00 H new ATOM 0 H42 DC C 132 12.337 26.219 8.065 1.00 0.00 H new ATOM 0 H5 DC C 132 9.463 28.078 9.405 1.00 0.00 H new ATOM 0 H6 DC C 132 8.281 27.349 11.411 1.00 0.00 H new TER 1019 DC C 132 ATOM 1020 N LYS A 1 -7.881 14.285 13.252 1.00 0.00 N ATOM 1021 CA LYS A 1 -6.728 13.857 12.414 1.00 0.00 C ATOM 1022 C LYS A 1 -6.736 12.331 12.253 1.00 0.00 C ATOM 1023 O LYS A 1 -7.778 11.721 12.171 1.00 0.00 O ATOM 1024 CB LYS A 1 -5.418 14.330 13.050 1.00 0.00 C ATOM 1025 CG LYS A 1 -5.350 15.856 12.990 1.00 0.00 C ATOM 1026 CD LYS A 1 -4.042 16.334 13.626 1.00 0.00 C ATOM 1027 CE LYS A 1 -3.959 17.859 13.540 1.00 0.00 C ATOM 1028 NZ LYS A 1 -3.633 18.257 12.140 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.215 15.217 12.933 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.651 13.592 13.163 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.583 14.346 14.247 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.814 14.307 11.425 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.360 13.992 14.085 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -4.568 13.896 12.525 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.408 16.193 11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.202 16.290 13.514 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.994 16.015 14.667 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.191 15.884 13.115 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.906 18.304 13.846 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.196 18.232 14.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.376 19.265 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.834 17.688 11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.461 18.096 11.532 1.00 0.00 H new ATOM 1044 N ARG A 2 -5.582 11.723 12.174 1.00 0.00 N ATOM 1045 CA ARG A 2 -5.511 10.243 11.971 1.00 0.00 C ATOM 1046 C ARG A 2 -6.198 9.482 13.115 1.00 0.00 C ATOM 1047 O ARG A 2 -6.879 8.502 12.896 1.00 0.00 O ATOM 1048 CB ARG A 2 -4.032 9.836 11.885 1.00 0.00 C ATOM 1049 CG ARG A 2 -3.893 8.411 11.313 1.00 0.00 C ATOM 1050 CD ARG A 2 -4.277 7.338 12.362 1.00 0.00 C ATOM 1051 NE ARG A 2 -3.275 6.222 12.332 1.00 0.00 N ATOM 1052 CZ ARG A 2 -2.892 5.690 11.200 1.00 0.00 C ATOM 1053 NH1 ARG A 2 -3.490 6.016 10.088 1.00 0.00 N ATOM 1054 NH2 ARG A 2 -1.937 4.801 11.186 1.00 0.00 N ATOM 0 H ARG A 2 -4.678 12.190 12.242 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.034 9.987 11.050 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.491 10.541 11.254 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.579 9.882 12.875 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.530 8.307 10.435 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.867 8.249 10.984 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.311 7.783 13.356 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.274 6.951 12.152 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.886 5.873 13.208 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.258 6.687 10.100 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.190 5.600 9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.489 4.520 12.058 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.639 4.387 10.303 1.00 0.00 H new ATOM 1068 N ALA A 3 -5.999 9.903 14.329 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.611 9.174 15.484 1.00 0.00 C ATOM 1070 C ALA A 3 -8.132 9.033 15.315 1.00 0.00 C ATOM 1071 O ALA A 3 -8.867 9.999 15.378 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.322 9.940 16.777 1.00 0.00 C ATOM 0 H ALA A 3 -5.440 10.719 14.578 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.174 8.176 15.525 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.767 9.411 17.620 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.244 10.014 16.923 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.749 10.941 16.710 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.610 7.820 15.140 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.086 7.589 15.008 1.00 0.00 C ATOM 1080 C GLY A 4 -10.535 7.669 13.544 1.00 0.00 C ATOM 1081 O GLY A 4 -11.691 7.456 13.233 1.00 0.00 O ATOM 0 H GLY A 4 -8.038 6.978 15.083 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.341 6.611 15.416 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.626 8.330 15.597 1.00 0.00 H new ATOM 1085 N THR A 5 -9.651 8.003 12.647 1.00 0.00 N ATOM 1086 CA THR A 5 -10.064 8.126 11.216 1.00 0.00 C ATOM 1087 C THR A 5 -10.444 6.770 10.628 1.00 0.00 C ATOM 1088 O THR A 5 -9.631 5.875 10.516 1.00 0.00 O ATOM 1089 CB THR A 5 -8.915 8.695 10.390 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.316 9.764 11.095 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.442 9.200 9.038 1.00 0.00 C ATOM 0 H THR A 5 -8.668 8.195 12.837 1.00 0.00 H new ATOM 0 HA THR A 5 -10.929 8.788 11.182 1.00 0.00 H new ATOM 0 HB THR A 5 -8.176 7.913 10.214 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.939 10.520 11.134 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.616 9.605 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.900 8.374 8.494 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.185 9.980 9.205 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.668 6.648 10.196 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.142 5.397 9.534 1.00 0.00 C ATOM 1101 C VAL A 6 -12.612 5.814 8.144 1.00 0.00 C ATOM 1102 O VAL A 6 -13.180 6.875 7.979 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.299 4.775 10.317 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.769 4.131 11.602 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.312 5.862 10.670 1.00 0.00 C ATOM 0 H VAL A 6 -12.376 7.378 10.275 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.350 4.650 9.487 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.780 4.011 9.706 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.597 3.689 12.156 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.047 3.355 11.349 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.285 4.890 12.217 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.138 5.422 11.228 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.829 6.626 11.279 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.693 6.315 9.755 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.373 5.031 7.137 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.805 5.440 5.775 1.00 0.00 C ATOM 1117 C CYS A 7 -14.317 5.547 5.695 1.00 0.00 C ATOM 1118 O CYS A 7 -15.040 4.592 5.899 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.312 4.398 4.791 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.761 4.867 3.105 1.00 0.00 S ATOM 0 H CYS A 7 -11.900 4.129 7.195 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.388 6.419 5.540 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.230 4.295 4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.743 3.427 5.033 1.00 0.00 H new ATOM 1125 N SER A 8 -14.795 6.713 5.386 1.00 0.00 N ATOM 1126 CA SER A 8 -16.254 6.918 5.272 1.00 0.00 C ATOM 1127 C SER A 8 -16.823 5.997 4.186 1.00 0.00 C ATOM 1128 O SER A 8 -17.911 5.475 4.319 1.00 0.00 O ATOM 1129 CB SER A 8 -16.526 8.379 4.907 1.00 0.00 C ATOM 1130 OG SER A 8 -16.124 9.214 5.987 1.00 0.00 O ATOM 0 H SER A 8 -14.228 7.542 5.206 1.00 0.00 H new ATOM 0 HA SER A 8 -16.733 6.683 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.981 8.648 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.586 8.522 4.696 1.00 0.00 H new ATOM 0 HG SER A 8 -15.151 9.331 5.966 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.117 5.820 3.090 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.669 4.963 2.001 1.00 0.00 C ATOM 1138 C ASN A 9 -16.552 3.470 2.322 1.00 0.00 C ATOM 1139 O ASN A 9 -17.449 2.720 1.989 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.911 5.245 0.698 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.347 6.594 0.123 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -15.543 7.322 -0.423 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.598 6.956 0.215 1.00 0.00 N ATOM 0 H ASN A 9 -15.199 6.226 2.909 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.727 5.206 1.900 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.837 5.250 0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.105 4.452 -0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.900 7.850 -0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.273 6.345 0.674 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.465 2.997 2.920 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.364 1.516 3.185 1.00 0.00 C ATOM 1152 C CYS A 10 -14.973 1.204 4.635 1.00 0.00 C ATOM 1153 O CYS A 10 -14.665 0.075 4.956 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.388 0.848 2.193 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.657 1.173 2.632 1.00 0.00 S ATOM 0 H CYS A 10 -14.669 3.557 3.226 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.358 1.097 3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.564 -0.228 2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.583 1.217 1.186 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.031 2.163 5.524 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.728 1.896 6.967 1.00 0.00 C ATOM 1162 C GLN A 11 -13.338 1.297 7.204 1.00 0.00 C ATOM 1163 O GLN A 11 -12.983 1.020 8.332 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.791 0.949 7.545 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.137 1.675 7.636 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.708 1.865 6.228 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.113 0.913 5.592 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.748 3.061 5.709 1.00 0.00 N ATOM 0 H GLN A 11 -15.278 3.130 5.311 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.743 2.863 7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.886 0.065 6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.486 0.604 8.533 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.832 1.100 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.009 2.642 8.122 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.408 3.860 6.243 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.120 3.197 4.769 1.00 0.00 H new ATOM 1177 N THR A 12 -12.531 1.105 6.203 1.00 0.00 N ATOM 1178 CA THR A 12 -11.181 0.542 6.493 1.00 0.00 C ATOM 1179 C THR A 12 -10.445 1.532 7.405 1.00 0.00 C ATOM 1180 O THR A 12 -10.777 2.700 7.433 1.00 0.00 O ATOM 1181 CB THR A 12 -10.395 0.340 5.188 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.193 -0.362 5.470 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.051 1.688 4.552 1.00 0.00 C ATOM 0 H THR A 12 -12.735 1.305 5.224 1.00 0.00 H new ATOM 0 HA THR A 12 -11.274 -0.428 6.982 1.00 0.00 H new ATOM 0 HB THR A 12 -11.011 -0.230 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.689 -0.495 4.640 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.495 1.524 3.629 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.970 2.231 4.330 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.443 2.272 5.243 1.00 0.00 H new ATOM 1191 N SER A 13 -9.443 1.099 8.132 1.00 0.00 N ATOM 1192 CA SER A 13 -8.685 2.055 9.017 1.00 0.00 C ATOM 1193 C SER A 13 -7.186 1.798 8.859 1.00 0.00 C ATOM 1194 O SER A 13 -6.380 2.225 9.661 1.00 0.00 O ATOM 1195 CB SER A 13 -9.096 1.852 10.475 1.00 0.00 C ATOM 1196 OG SER A 13 -8.569 0.617 10.941 1.00 0.00 O ATOM 0 H SER A 13 -9.115 0.133 8.155 1.00 0.00 H new ATOM 0 HA SER A 13 -8.914 3.081 8.728 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.725 2.674 11.088 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.182 1.854 10.563 1.00 0.00 H new ATOM 0 HG SER A 13 -8.828 0.483 11.876 1.00 0.00 H new ATOM 1202 N THR A 14 -6.815 1.099 7.819 1.00 0.00 N ATOM 1203 CA THR A 14 -5.377 0.786 7.560 1.00 0.00 C ATOM 1204 C THR A 14 -4.966 1.434 6.237 1.00 0.00 C ATOM 1205 O THR A 14 -4.447 0.796 5.357 1.00 0.00 O ATOM 1206 CB THR A 14 -5.220 -0.730 7.457 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.630 -1.164 6.167 1.00 0.00 O ATOM 1208 CG2 THR A 14 -6.090 -1.393 8.520 1.00 0.00 C ATOM 0 H THR A 14 -7.461 0.724 7.124 1.00 0.00 H new ATOM 0 HA THR A 14 -4.750 1.167 8.366 1.00 0.00 H new ATOM 0 HB THR A 14 -4.176 -1.004 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.111 -0.692 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.984 -2.476 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.776 -1.058 9.508 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.133 -1.120 8.359 1.00 0.00 H new ATOM 1216 N THR A 15 -5.272 2.679 6.067 1.00 0.00 N ATOM 1217 CA THR A 15 -4.968 3.357 4.767 1.00 0.00 C ATOM 1218 C THR A 15 -3.500 3.774 4.693 1.00 0.00 C ATOM 1219 O THR A 15 -2.883 4.097 5.687 1.00 0.00 O ATOM 1220 CB THR A 15 -5.837 4.611 4.655 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.208 5.685 5.339 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.173 4.330 5.318 1.00 0.00 C ATOM 0 H THR A 15 -5.721 3.268 6.768 1.00 0.00 H new ATOM 0 HA THR A 15 -5.175 2.661 3.954 1.00 0.00 H new ATOM 0 HB THR A 15 -5.975 4.874 3.606 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.861 6.133 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.807 5.214 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.660 3.494 4.816 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.013 4.080 6.367 1.00 0.00 H new ATOM 1230 N THR A 16 -2.952 3.817 3.504 1.00 0.00 N ATOM 1231 CA THR A 16 -1.544 4.270 3.360 1.00 0.00 C ATOM 1232 C THR A 16 -1.552 5.791 3.408 1.00 0.00 C ATOM 1233 O THR A 16 -0.650 6.418 3.926 1.00 0.00 O ATOM 1234 CB THR A 16 -0.953 3.826 2.014 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.608 4.523 0.966 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.120 2.316 1.802 1.00 0.00 C ATOM 0 H THR A 16 -3.419 3.559 2.635 1.00 0.00 H new ATOM 0 HA THR A 16 -0.939 3.838 4.157 1.00 0.00 H new ATOM 0 HB THR A 16 0.113 4.054 2.014 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.041 3.880 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.691 2.034 0.840 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.608 1.778 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.180 2.062 1.815 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.587 6.395 2.868 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.676 7.884 2.884 1.00 0.00 C ATOM 1246 C LEU A 17 -4.141 8.275 3.100 1.00 0.00 C ATOM 1247 O LEU A 17 -5.029 7.785 2.431 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.162 8.454 1.543 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.438 9.787 1.773 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.028 9.532 2.366 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.320 10.536 0.431 1.00 0.00 C ATOM 0 H LEU A 17 -3.369 5.919 2.419 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.062 8.291 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.485 7.741 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.997 8.600 0.858 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.006 10.392 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.477 10.485 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.123 9.008 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.554 8.924 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.806 11.484 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.754 9.929 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.316 10.725 0.031 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.405 9.150 4.026 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.808 9.564 4.279 1.00 0.00 C ATOM 1265 C TRP A 18 -6.205 10.654 3.284 1.00 0.00 C ATOM 1266 O TRP A 18 -5.529 11.653 3.131 1.00 0.00 O ATOM 1267 CB TRP A 18 -5.910 10.102 5.713 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.044 8.955 6.670 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.133 8.601 7.606 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.140 8.002 6.788 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.609 7.498 8.295 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.840 7.095 7.829 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.354 7.841 6.102 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.712 6.066 8.180 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.233 6.804 6.450 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.914 5.919 7.487 1.00 0.00 C ATOM 0 H TRP A 18 -3.707 9.597 4.620 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.479 8.713 4.157 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.025 10.690 5.956 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.769 10.767 5.803 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.191 9.097 7.786 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.108 7.040 9.056 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.613 8.519 5.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.459 5.388 8.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.163 6.688 5.914 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.597 5.124 7.750 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.295 10.452 2.595 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.770 11.444 1.582 1.00 0.00 C ATOM 1289 C ARG A 19 -9.114 12.043 1.998 1.00 0.00 C ATOM 1290 O ARG A 19 -10.063 11.332 2.225 1.00 0.00 O ATOM 1291 CB ARG A 19 -7.971 10.703 0.243 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.633 10.551 -0.506 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.214 11.895 -1.127 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.346 11.653 -2.328 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.294 10.876 -2.279 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.849 10.414 -1.144 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.641 10.614 -3.375 1.00 0.00 N ATOM 0 H ARG A 19 -7.888 9.628 2.692 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.034 12.244 1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.403 9.719 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.680 11.251 -0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.861 10.203 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.729 9.796 -1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.098 12.464 -1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.675 12.493 -0.392 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.584 12.108 -3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.322 10.657 -0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.027 9.810 -1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.951 11.013 -4.261 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.820 10.010 -3.347 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.230 13.337 2.069 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.554 13.920 2.414 1.00 0.00 C ATOM 1313 C ARG A 20 -11.396 13.886 1.134 1.00 0.00 C ATOM 1314 O ARG A 20 -10.882 14.064 0.046 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.378 15.361 2.918 1.00 0.00 C ATOM 1316 CG ARG A 20 -9.719 15.358 4.313 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.776 15.129 5.410 1.00 0.00 C ATOM 1318 NE ARG A 20 -11.386 16.431 5.796 1.00 0.00 N ATOM 1319 CZ ARG A 20 -12.541 16.462 6.408 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -13.202 15.357 6.628 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -13.043 17.603 6.789 1.00 0.00 N ATOM 0 H ARG A 20 -8.479 14.008 1.906 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.044 13.357 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.763 15.927 2.218 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.347 15.859 2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.961 14.576 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.210 16.307 4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.547 14.448 5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.316 14.659 6.280 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.901 17.302 5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.818 14.463 6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.103 15.388 7.106 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.535 18.469 6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.944 17.630 7.267 1.00 0.00 H new ATOM 1335 N SER A 21 -12.673 13.637 1.241 1.00 0.00 N ATOM 1336 CA SER A 21 -13.533 13.565 0.012 1.00 0.00 C ATOM 1337 C SER A 21 -14.133 14.952 -0.290 1.00 0.00 C ATOM 1338 O SER A 21 -14.258 15.771 0.593 1.00 0.00 O ATOM 1339 CB SER A 21 -14.636 12.526 0.255 1.00 0.00 C ATOM 1340 OG SER A 21 -14.125 11.229 -0.035 1.00 0.00 O ATOM 0 H SER A 21 -13.162 13.480 2.122 1.00 0.00 H new ATOM 0 HA SER A 21 -12.940 13.265 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.976 12.574 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.500 12.740 -0.375 1.00 0.00 H new ATOM 0 HG SER A 21 -14.870 10.612 -0.193 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.486 15.227 -1.533 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.067 16.554 -1.897 1.00 0.00 C ATOM 1348 C PRO A 22 -16.212 16.990 -0.961 1.00 0.00 C ATOM 1349 O PRO A 22 -16.489 18.164 -0.813 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.584 16.310 -3.336 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.166 14.890 -3.776 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.326 14.257 -2.657 1.00 0.00 C ATOM 0 HA PRO A 22 -14.340 17.361 -1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.669 16.413 -3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.171 17.054 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.048 14.282 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.591 14.935 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.690 13.265 -2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.282 14.145 -2.949 1.00 0.00 H new ATOM 1360 N MET A 23 -16.878 16.051 -0.334 1.00 0.00 N ATOM 1361 CA MET A 23 -18.004 16.409 0.587 1.00 0.00 C ATOM 1362 C MET A 23 -17.468 16.589 2.009 1.00 0.00 C ATOM 1363 O MET A 23 -18.144 17.097 2.881 1.00 0.00 O ATOM 1364 CB MET A 23 -19.049 15.289 0.568 1.00 0.00 C ATOM 1365 CG MET A 23 -19.759 15.283 -0.788 1.00 0.00 C ATOM 1366 SD MET A 23 -21.015 13.975 -0.824 1.00 0.00 S ATOM 1367 CE MET A 23 -22.190 14.719 0.339 1.00 0.00 C ATOM 0 H MET A 23 -16.691 15.052 -0.420 1.00 0.00 H new ATOM 0 HA MET A 23 -18.463 17.341 0.257 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.570 14.326 0.745 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.772 15.437 1.370 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.225 16.252 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.034 15.125 -1.587 1.00 0.00 H new ATOM 0 HE1 MET A 23 -23.191 14.336 0.140 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.902 14.466 1.359 1.00 0.00 H new ATOM 0 HE3 MET A 23 -22.185 15.802 0.218 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.253 16.173 2.247 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.653 16.306 3.608 1.00 0.00 C ATOM 1379 C GLY A 24 -15.811 14.988 4.370 1.00 0.00 C ATOM 1380 O GLY A 24 -15.807 14.960 5.585 1.00 0.00 O ATOM 0 H GLY A 24 -15.644 15.743 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.598 16.567 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.140 17.114 4.154 1.00 0.00 H new ATOM 1384 N ASP A 25 -15.946 13.894 3.666 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.101 12.568 4.331 1.00 0.00 C ATOM 1386 C ASP A 25 -14.740 11.837 4.324 1.00 0.00 C ATOM 1387 O ASP A 25 -14.250 11.494 3.268 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.096 11.736 3.518 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.447 12.453 3.479 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.539 13.532 4.040 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.366 11.912 2.886 1.00 0.00 O ATOM 0 H ASP A 25 -15.955 13.864 2.646 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.450 12.701 5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.721 11.588 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.209 10.748 3.963 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.116 11.588 5.460 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.800 10.881 5.456 1.00 0.00 C ATOM 1398 C PRO A 26 -12.820 9.601 4.603 1.00 0.00 C ATOM 1399 O PRO A 26 -13.697 8.773 4.749 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.613 10.555 6.949 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.527 11.497 7.747 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.645 11.971 6.807 1.00 0.00 C ATOM 0 HA PRO A 26 -11.996 11.475 5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.868 9.514 7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.572 10.691 7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.947 10.981 8.611 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.961 12.347 8.127 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.594 11.481 7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.815 13.045 6.887 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.845 9.418 3.736 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.805 8.161 2.908 1.00 0.00 C ATOM 1412 C VAL A 27 -10.379 7.630 2.816 1.00 0.00 C ATOM 1413 O VAL A 27 -9.421 8.353 3.003 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.359 8.387 1.492 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.890 8.492 1.550 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.754 9.655 0.870 1.00 0.00 C ATOM 0 H VAL A 27 -11.084 10.075 3.567 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.439 7.428 3.407 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.084 7.540 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.282 8.652 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.303 7.569 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.173 9.329 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.159 9.797 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.003 10.518 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.671 9.551 0.812 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.231 6.365 2.504 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.870 5.788 2.374 1.00 0.00 C ATOM 1428 C CYS A 28 -8.339 6.137 0.988 1.00 0.00 C ATOM 1429 O CYS A 28 -9.095 6.412 0.075 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.897 4.259 2.612 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.769 3.367 1.286 1.00 0.00 S ATOM 0 H CYS A 28 -10.997 5.713 2.335 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.206 6.207 3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.875 3.887 2.685 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.381 4.051 3.566 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.051 6.187 0.831 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.486 6.585 -0.486 1.00 0.00 C ATOM 1438 C ASN A 29 -7.141 5.780 -1.609 1.00 0.00 C ATOM 1439 O ASN A 29 -7.361 6.284 -2.691 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.979 6.321 -0.494 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.342 7.040 -1.682 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.978 7.242 -2.698 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.100 7.431 -1.601 1.00 0.00 N ATOM 0 H ASN A 29 -6.365 5.971 1.554 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.680 7.646 -0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.533 6.670 0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.787 5.250 -0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.662 7.906 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.567 7.261 -0.748 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.449 4.542 -1.370 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.078 3.717 -2.439 1.00 0.00 C ATOM 1452 C ALA A 30 -9.472 4.263 -2.807 1.00 0.00 C ATOM 1453 O ALA A 30 -9.726 4.602 -3.944 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.188 2.272 -1.948 1.00 0.00 C ATOM 0 H ALA A 30 -7.294 4.062 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.458 3.758 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.647 1.658 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.193 1.888 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.802 2.239 -1.048 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.381 4.340 -1.865 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.751 4.854 -2.197 1.00 0.00 C ATOM 1462 C CYS A 31 -11.643 6.228 -2.843 1.00 0.00 C ATOM 1463 O CYS A 31 -12.317 6.530 -3.791 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.589 5.014 -0.925 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.111 3.412 -0.299 1.00 0.00 S ATOM 0 H CYS A 31 -10.238 4.073 -0.891 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.221 4.139 -2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.008 5.535 -0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.463 5.630 -1.135 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.811 7.068 -2.327 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.702 8.425 -2.915 1.00 0.00 C ATOM 1472 C GLY A 32 -10.355 8.321 -4.399 1.00 0.00 C ATOM 1473 O GLY A 32 -10.918 9.013 -5.224 1.00 0.00 O ATOM 0 H GLY A 32 -10.203 6.882 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.642 8.962 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.935 8.997 -2.392 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.430 7.472 -4.748 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.050 7.340 -6.184 1.00 0.00 C ATOM 1479 C LEU A 33 -10.159 6.635 -6.972 1.00 0.00 C ATOM 1480 O LEU A 33 -10.622 7.131 -7.979 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.765 6.523 -6.291 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.605 7.263 -5.612 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.405 6.317 -5.510 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.213 8.511 -6.428 1.00 0.00 C ATOM 0 H LEU A 33 -8.922 6.865 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.900 8.336 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.906 5.548 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.527 6.343 -7.339 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.915 7.582 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.575 6.833 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.680 5.443 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.105 6.000 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.389 9.025 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.904 8.209 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.069 9.182 -6.500 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.586 5.482 -6.533 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.660 4.761 -7.274 1.00 0.00 C ATOM 1498 C TYR A 34 -12.917 5.627 -7.327 1.00 0.00 C ATOM 1499 O TYR A 34 -13.546 5.764 -8.355 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.985 3.438 -6.567 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.250 2.842 -7.154 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -13.233 2.244 -8.420 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.443 2.903 -6.428 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -14.412 1.706 -8.955 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.619 2.368 -6.961 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.605 1.768 -8.226 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.764 1.237 -8.755 1.00 0.00 O ATOM 0 H TYR A 34 -10.240 5.010 -5.698 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.315 4.554 -8.287 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.156 2.740 -6.681 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.114 3.608 -5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.313 2.197 -8.984 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.456 3.365 -5.452 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.400 1.243 -9.931 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.539 2.417 -6.397 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.541 0.486 -9.344 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.299 6.190 -6.220 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.527 7.024 -6.192 1.00 0.00 C ATOM 1519 C TYR A 35 -14.377 8.197 -7.162 1.00 0.00 C ATOM 1520 O TYR A 35 -15.271 8.523 -7.901 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.745 7.560 -4.772 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.173 8.007 -4.621 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.539 9.284 -5.039 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.124 7.146 -4.059 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.863 9.712 -4.896 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.450 7.566 -3.916 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.822 8.854 -4.333 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.127 9.278 -4.186 1.00 0.00 O ATOM 0 H TYR A 35 -12.811 6.108 -5.328 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.382 6.418 -6.490 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.515 6.786 -4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.069 8.393 -4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.802 9.943 -5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.833 6.157 -3.736 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.148 10.703 -5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.185 6.902 -3.486 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.660 8.562 -3.781 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.258 8.842 -7.169 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.094 9.987 -8.100 1.00 0.00 C ATOM 1540 C LYS A 36 -13.266 9.499 -9.541 1.00 0.00 C ATOM 1541 O LYS A 36 -13.909 10.141 -10.348 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.685 10.554 -7.919 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.432 11.682 -8.920 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.078 12.331 -8.616 1.00 0.00 C ATOM 1545 CE LYS A 36 -8.935 11.358 -8.943 1.00 0.00 C ATOM 1546 NZ LYS A 36 -7.655 12.112 -9.052 1.00 0.00 N ATOM 0 H LYS A 36 -12.453 8.633 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.839 10.754 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.564 10.928 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.947 9.764 -8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.441 11.290 -9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.227 12.425 -8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.966 13.244 -9.200 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.032 12.617 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.857 10.598 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.143 10.837 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.882 11.453 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.733 12.821 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.455 12.589 -8.150 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.689 8.384 -9.877 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.812 7.873 -11.272 1.00 0.00 C ATOM 1562 C LEU A 37 -14.226 7.334 -11.565 1.00 0.00 C ATOM 1563 O LEU A 37 -14.745 7.528 -12.647 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.779 6.747 -11.481 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.455 7.319 -11.999 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.841 8.259 -10.959 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.490 6.168 -12.272 1.00 0.00 C ATOM 0 H LEU A 37 -12.136 7.801 -9.248 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.627 8.700 -11.957 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.611 6.221 -10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.168 6.016 -12.190 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.640 7.879 -12.915 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.901 8.658 -11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.530 9.080 -10.759 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.655 7.709 -10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.545 6.566 -12.641 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.315 5.613 -11.350 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.920 5.502 -13.020 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.830 6.612 -10.646 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.182 6.011 -10.920 1.00 0.00 C ATOM 1581 C HIS A 38 -17.278 6.623 -10.038 1.00 0.00 C ATOM 1582 O HIS A 38 -18.444 6.372 -10.247 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.092 4.508 -10.660 1.00 0.00 C ATOM 1584 CG HIS A 38 -14.957 3.947 -11.469 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.149 3.400 -12.727 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.610 3.862 -11.223 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -13.946 3.012 -13.188 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -12.974 3.273 -12.311 1.00 0.00 N ATOM 0 H HIS A 38 -14.448 6.413 -9.721 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.453 6.218 -11.955 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.931 4.317 -9.599 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.028 4.020 -10.933 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.119 4.200 -10.323 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.786 2.547 -14.149 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -11.978 3.081 -12.416 1.00 0.00 H new ATOM 1596 N GLN A 39 -16.936 7.427 -9.070 1.00 0.00 N ATOM 1597 CA GLN A 39 -17.958 8.067 -8.181 1.00 0.00 C ATOM 1598 C GLN A 39 -19.121 7.126 -7.836 1.00 0.00 C ATOM 1599 O GLN A 39 -20.281 7.480 -7.914 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.439 9.392 -8.790 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.156 9.155 -10.124 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.740 10.478 -10.624 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.052 11.478 -10.672 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.989 10.525 -10.998 1.00 0.00 N ATOM 0 H GLN A 39 -15.971 7.675 -8.850 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.475 8.287 -7.229 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.113 9.893 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.588 10.056 -8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.459 8.751 -10.858 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.949 8.418 -9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.566 9.685 -10.957 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.389 11.402 -11.331 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.801 5.940 -7.391 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.836 4.964 -6.963 1.00 0.00 C ATOM 1615 C VAL A 40 -19.293 4.215 -5.747 1.00 0.00 C ATOM 1616 O VAL A 40 -18.099 4.038 -5.601 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.120 3.966 -8.076 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.981 4.623 -9.153 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.800 3.499 -8.677 1.00 0.00 C ATOM 0 H VAL A 40 -17.842 5.603 -7.306 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.762 5.487 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.658 3.109 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.181 3.904 -9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.923 4.952 -8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.454 5.483 -9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -18.997 2.783 -9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.261 4.356 -9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.196 3.023 -7.904 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.147 3.777 -4.875 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.666 3.040 -3.669 1.00 0.00 C ATOM 1631 C ASN A 41 -19.514 1.548 -4.005 1.00 0.00 C ATOM 1632 O ASN A 41 -20.382 0.960 -4.620 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.676 3.209 -2.526 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.961 2.443 -2.848 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.296 2.251 -4.001 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.697 1.991 -1.870 1.00 0.00 N ATOM 0 H ASN A 41 -21.158 3.894 -4.939 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.701 3.442 -3.361 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.248 2.842 -1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.899 4.266 -2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.554 1.476 -2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.415 2.152 -0.903 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.422 0.931 -3.607 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.206 -0.531 -3.897 1.00 0.00 C ATOM 1645 C ARG A 42 -18.273 -1.323 -2.566 1.00 0.00 C ATOM 1646 O ARG A 42 -17.969 -0.786 -1.519 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.821 -0.717 -4.545 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.890 -0.446 -6.065 1.00 0.00 C ATOM 1649 CD ARG A 42 -17.315 -1.710 -6.827 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.448 -2.874 -6.438 1.00 0.00 N ATOM 1651 CZ ARG A 42 -15.148 -2.848 -6.587 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -14.569 -1.872 -7.231 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -14.427 -3.835 -6.129 1.00 0.00 N ATOM 0 H ARG A 42 -17.665 1.379 -3.090 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.975 -0.897 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.103 -0.040 -4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.464 -1.731 -4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -17.598 0.359 -6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.917 -0.110 -6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -18.359 -1.938 -6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -17.242 -1.537 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.885 -3.708 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.131 -1.117 -7.625 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.555 -1.864 -7.340 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.877 -4.620 -5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.413 -3.821 -6.242 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.677 -2.585 -2.595 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.779 -3.409 -1.344 1.00 0.00 C ATOM 1669 C PRO A 43 -17.436 -3.578 -0.605 1.00 0.00 C ATOM 1670 O PRO A 43 -16.375 -3.522 -1.193 1.00 0.00 O ATOM 1671 CB PRO A 43 -19.296 -4.764 -1.874 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.206 -4.744 -3.409 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.054 -3.283 -3.860 1.00 0.00 C ATOM 0 HA PRO A 43 -19.424 -2.941 -0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.701 -5.583 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.325 -4.929 -1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.357 -5.337 -3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.100 -5.187 -3.848 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.287 -3.174 -4.627 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.981 -2.890 -4.278 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.493 -3.790 0.687 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.245 -3.978 1.492 1.00 0.00 C ATOM 1683 C LEU A 44 -15.484 -5.215 1.003 1.00 0.00 C ATOM 1684 O LEU A 44 -14.508 -5.625 1.599 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.630 -4.173 2.968 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.875 -2.814 3.624 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -18.161 -2.192 3.071 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -17.010 -3.004 5.137 1.00 0.00 C ATOM 0 H LEU A 44 -18.359 -3.841 1.224 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.608 -3.101 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.526 -4.789 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.835 -4.703 3.494 1.00 0.00 H new ATOM 0 HG LEU A 44 -16.037 -2.151 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.329 -1.224 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -18.067 -2.059 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.004 -2.850 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.185 -2.038 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.848 -3.668 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.093 -3.441 5.532 1.00 0.00 H new ATOM 1700 N THR A 45 -15.912 -5.812 -0.067 1.00 0.00 N ATOM 1701 CA THR A 45 -15.198 -7.013 -0.574 1.00 0.00 C ATOM 1702 C THR A 45 -13.783 -6.607 -0.987 1.00 0.00 C ATOM 1703 O THR A 45 -12.927 -7.439 -1.220 1.00 0.00 O ATOM 1704 CB THR A 45 -15.955 -7.580 -1.776 1.00 0.00 C ATOM 1705 OG1 THR A 45 -16.224 -6.535 -2.701 1.00 0.00 O ATOM 1706 CG2 THR A 45 -17.273 -8.193 -1.301 1.00 0.00 C ATOM 0 H THR A 45 -16.723 -5.523 -0.613 1.00 0.00 H new ATOM 0 HA THR A 45 -15.144 -7.776 0.202 1.00 0.00 H new ATOM 0 HB THR A 45 -15.350 -8.347 -2.261 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.708 -6.897 -3.472 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.815 -8.598 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.067 -8.993 -0.590 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.878 -7.426 -0.818 1.00 0.00 H new ATOM 1714 N MET A 46 -13.531 -5.326 -1.072 1.00 0.00 N ATOM 1715 CA MET A 46 -12.171 -4.843 -1.463 1.00 0.00 C ATOM 1716 C MET A 46 -11.389 -4.512 -0.195 1.00 0.00 C ATOM 1717 O MET A 46 -10.200 -4.261 -0.219 1.00 0.00 O ATOM 1718 CB MET A 46 -12.318 -3.573 -2.308 1.00 0.00 C ATOM 1719 CG MET A 46 -11.021 -3.304 -3.066 1.00 0.00 C ATOM 1720 SD MET A 46 -10.903 -4.463 -4.451 1.00 0.00 S ATOM 1721 CE MET A 46 -10.196 -3.324 -5.662 1.00 0.00 C ATOM 0 H MET A 46 -14.212 -4.590 -0.887 1.00 0.00 H new ATOM 0 HA MET A 46 -11.648 -5.609 -2.036 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.144 -3.686 -3.010 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.558 -2.725 -1.667 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.003 -2.277 -3.431 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.165 -3.421 -2.402 1.00 0.00 H new ATOM 0 HE1 MET A 46 -10.189 -3.796 -6.644 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.796 -2.415 -5.700 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.176 -3.073 -5.373 1.00 0.00 H new ATOM 1731 N ARG A 47 -12.067 -4.495 0.911 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.405 -4.160 2.193 1.00 0.00 C ATOM 1733 C ARG A 47 -10.566 -5.346 2.673 1.00 0.00 C ATOM 1734 O ARG A 47 -11.033 -6.467 2.746 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.494 -3.822 3.210 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.872 -3.469 4.554 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.988 -3.059 5.510 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.430 -2.873 6.879 1.00 0.00 N ATOM 1739 CZ ARG A 47 -13.135 -2.268 7.794 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -14.314 -1.795 7.501 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -12.660 -2.131 9.001 1.00 0.00 N ATOM 0 H ARG A 47 -13.063 -4.701 0.982 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.737 -3.308 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.092 -2.986 2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.169 -4.670 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.325 -4.322 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.155 -2.656 4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.453 -2.135 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.767 -3.821 5.524 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.496 -3.219 7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.685 -1.898 6.556 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.866 -1.322 8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.736 -2.497 9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.213 -1.658 9.716 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.322 -5.094 2.999 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.408 -6.177 3.480 1.00 0.00 C ATOM 1757 C LYS A 48 -7.857 -5.778 4.848 1.00 0.00 C ATOM 1758 O LYS A 48 -7.522 -4.632 5.075 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.253 -6.341 2.487 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.355 -7.497 2.930 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.435 -7.902 1.778 1.00 0.00 C ATOM 1762 CE LYS A 48 -4.384 -8.888 2.290 1.00 0.00 C ATOM 1763 NZ LYS A 48 -5.061 -10.127 2.770 1.00 0.00 N ATOM 0 H LYS A 48 -8.895 -4.169 2.951 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.949 -7.120 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.644 -6.533 1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.675 -5.419 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.762 -7.199 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.964 -8.347 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.017 -8.357 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.949 -7.021 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.679 -9.130 1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.810 -8.437 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.354 -10.877 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.543 -9.932 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.759 -10.437 2.064 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.785 -6.700 5.771 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.282 -6.359 7.134 1.00 0.00 C ATOM 1779 C ASP A 49 -6.040 -5.461 7.041 1.00 0.00 C ATOM 1780 O ASP A 49 -6.136 -4.251 7.083 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.937 -7.654 7.872 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.221 -8.448 8.132 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.287 -7.864 8.018 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.118 -9.623 8.440 1.00 0.00 O ATOM 0 H ASP A 49 -8.053 -7.675 5.640 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.055 -5.816 7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.242 -8.249 7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.439 -7.427 8.815 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.874 -6.041 6.929 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.625 -5.219 6.851 1.00 0.00 C ATOM 1791 C GLY A 50 -3.538 -4.506 5.493 1.00 0.00 C ATOM 1792 O GLY A 50 -4.423 -4.612 4.669 1.00 0.00 O ATOM 0 H GLY A 50 -4.730 -7.050 6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.615 -4.484 7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.753 -5.857 6.991 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.465 -3.784 5.255 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.298 -3.070 3.954 1.00 0.00 C ATOM 1798 C ILE A 51 -1.521 -3.949 2.964 1.00 0.00 C ATOM 1799 O ILE A 51 -0.623 -4.678 3.332 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.532 -1.761 4.189 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.201 -1.003 5.360 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.547 -0.906 2.901 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.862 0.497 5.317 1.00 0.00 C ATOM 0 H ILE A 51 -1.696 -3.661 5.913 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.281 -2.852 3.537 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.493 -1.971 4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.282 -1.136 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.869 -1.427 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.002 0.022 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.073 -1.460 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.577 -0.676 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.346 1.004 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.782 0.628 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.217 0.924 4.379 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.841 -3.848 1.701 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.100 -4.636 0.673 1.00 0.00 C ATOM 1817 C GLN A 52 0.206 -3.892 0.350 1.00 0.00 C ATOM 1818 O GLN A 52 0.261 -2.683 0.414 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.936 -4.748 -0.607 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.164 -5.625 -0.376 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.025 -5.596 -1.640 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.074 -6.559 -2.380 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.702 -4.516 -1.927 1.00 0.00 N ATOM 0 H GLN A 52 -2.585 -3.253 1.336 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.895 -5.637 1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.248 -3.755 -0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.328 -5.169 -1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.862 -6.647 -0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.734 -5.261 0.479 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.661 -3.708 -1.306 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.272 -4.481 -2.772 1.00 0.00 H new ATOM 1832 N THR A 53 1.260 -4.592 0.015 1.00 0.00 N ATOM 1833 CA THR A 53 2.557 -3.901 -0.306 1.00 0.00 C ATOM 1834 C THR A 53 3.206 -4.557 -1.527 1.00 0.00 C ATOM 1835 O THR A 53 2.800 -5.614 -1.966 1.00 0.00 O ATOM 1836 CB THR A 53 3.496 -3.995 0.895 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.840 -3.847 0.460 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.312 -5.349 1.566 1.00 0.00 C ATOM 0 H THR A 53 1.284 -5.610 -0.051 1.00 0.00 H new ATOM 0 HA THR A 53 2.362 -2.852 -0.529 1.00 0.00 H new ATOM 0 HB THR A 53 3.266 -3.203 1.608 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.442 -3.906 1.231 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.979 -5.423 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.279 -5.453 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.545 -6.142 0.855 1.00 0.00 H new ATOM 1846 N ARG A 54 4.198 -3.918 -2.095 1.00 0.00 N ATOM 1847 CA ARG A 54 4.857 -4.486 -3.313 1.00 0.00 C ATOM 1848 C ARG A 54 6.327 -4.053 -3.385 1.00 0.00 C ATOM 1849 O ARG A 54 6.736 -3.097 -2.757 1.00 0.00 O ATOM 1850 CB ARG A 54 4.100 -3.968 -4.543 1.00 0.00 C ATOM 1851 CG ARG A 54 4.284 -4.930 -5.733 1.00 0.00 C ATOM 1852 CD ARG A 54 3.368 -6.175 -5.615 1.00 0.00 C ATOM 1853 NE ARG A 54 2.511 -6.284 -6.846 1.00 0.00 N ATOM 1854 CZ ARG A 54 1.713 -5.315 -7.205 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.563 -4.275 -6.437 1.00 0.00 N ATOM 1856 NH2 ARG A 54 1.054 -5.388 -8.324 1.00 0.00 N ATOM 0 H ARG A 54 4.580 -3.030 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 54 4.830 -5.575 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.040 -3.867 -4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.463 -2.976 -4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.065 -4.404 -6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.325 -5.249 -5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.972 -7.075 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.740 -6.095 -4.727 1.00 0.00 H new ATOM 0 HE ARG A 54 2.554 -7.132 -7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.069 -4.216 -5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.939 -3.519 -6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.159 -6.205 -8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.432 -4.628 -8.600 1.00 0.00 H new ATOM 1870 N ASN A 55 7.120 -4.750 -4.160 1.00 0.00 N ATOM 1871 CA ASN A 55 8.557 -4.371 -4.281 1.00 0.00 C ATOM 1872 C ASN A 55 8.653 -2.927 -4.768 1.00 0.00 C ATOM 1873 O ASN A 55 7.897 -2.495 -5.614 1.00 0.00 O ATOM 1874 CB ASN A 55 9.269 -5.274 -5.290 1.00 0.00 C ATOM 1875 CG ASN A 55 10.746 -4.876 -5.355 1.00 0.00 C ATOM 1876 OD1 ASN A 55 11.460 -4.986 -4.377 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.238 -4.403 -6.468 1.00 0.00 N ATOM 0 H ASN A 55 6.835 -5.560 -4.710 1.00 0.00 H new ATOM 0 HA ASN A 55 9.030 -4.481 -3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.173 -6.319 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.809 -5.177 -6.273 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.219 -4.127 -6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.642 -4.310 -7.290 1.00 0.00 H new ATOM 1884 N ARG A 56 9.569 -2.178 -4.232 1.00 0.00 N ATOM 1885 CA ARG A 56 9.715 -0.755 -4.650 1.00 0.00 C ATOM 1886 C ARG A 56 10.161 -0.658 -6.101 1.00 0.00 C ATOM 1887 O ARG A 56 11.086 -1.320 -6.527 1.00 0.00 O ATOM 1888 CB ARG A 56 10.775 -0.080 -3.782 1.00 0.00 C ATOM 1889 CG ARG A 56 10.307 -0.049 -2.329 1.00 0.00 C ATOM 1890 CD ARG A 56 9.099 0.885 -2.173 1.00 0.00 C ATOM 1891 NE ARG A 56 9.031 1.370 -0.762 1.00 0.00 N ATOM 1892 CZ ARG A 56 9.087 0.540 0.239 1.00 0.00 C ATOM 1893 NH1 ARG A 56 8.962 -0.741 0.041 1.00 0.00 N ATOM 1894 NH2 ARG A 56 9.198 1.002 1.451 1.00 0.00 N ATOM 0 H ARG A 56 10.228 -2.489 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 56 8.747 -0.266 -4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.719 -0.619 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.958 0.934 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.040 -1.055 -2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.120 0.288 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.187 1.730 -2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.181 0.358 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 56 8.939 2.369 -0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.819 -1.100 -0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.007 -1.386 0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.240 2.008 1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.242 0.358 2.240 1.00 0.00 H new ATOM 1908 N LYS A 57 9.515 0.178 -6.861 1.00 0.00 N ATOM 1909 CA LYS A 57 9.904 0.343 -8.281 1.00 0.00 C ATOM 1910 C LYS A 57 11.167 1.210 -8.354 1.00 0.00 C ATOM 1911 O LYS A 57 11.499 1.918 -7.424 1.00 0.00 O ATOM 1912 CB LYS A 57 8.761 0.997 -9.055 1.00 0.00 C ATOM 1913 CG LYS A 57 8.028 1.982 -8.149 1.00 0.00 C ATOM 1914 CD LYS A 57 7.131 2.854 -9.016 1.00 0.00 C ATOM 1915 CE LYS A 57 6.369 3.867 -8.156 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.477 4.683 -9.028 1.00 0.00 N ATOM 0 H LYS A 57 8.731 0.755 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 57 10.111 -0.630 -8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.151 1.514 -9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.070 0.235 -9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.435 1.447 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.742 2.598 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.732 3.379 -9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.425 2.229 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.781 3.349 -7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.070 4.513 -7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.958 5.372 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.049 5.188 -9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.800 4.060 -9.512 1.00 0.00 H new ATOM 1930 N VAL A 58 11.883 1.143 -9.441 1.00 0.00 N ATOM 1931 CA VAL A 58 13.132 1.948 -9.570 1.00 0.00 C ATOM 1932 C VAL A 58 12.796 3.438 -9.577 1.00 0.00 C ATOM 1933 O VAL A 58 13.663 4.287 -9.641 1.00 0.00 O ATOM 1934 CB VAL A 58 13.844 1.559 -10.873 1.00 0.00 C ATOM 1935 CG1 VAL A 58 12.851 1.625 -12.036 1.00 0.00 C ATOM 1936 CG2 VAL A 58 15.016 2.513 -11.145 1.00 0.00 C ATOM 0 H VAL A 58 11.657 0.564 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 58 13.788 1.747 -8.723 1.00 0.00 H new ATOM 0 HB VAL A 58 14.230 0.544 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.356 1.349 -12.962 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.028 0.934 -11.852 1.00 0.00 H new ATOM 0 HG13 VAL A 58 12.461 2.639 -12.124 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.512 2.225 -12.072 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.642 3.533 -11.235 1.00 0.00 H new ATOM 0 HG23 VAL A 58 15.728 2.459 -10.321 1.00 0.00 H new ATOM 1946 N SER A 59 11.541 3.756 -9.530 1.00 0.00 N ATOM 1947 CA SER A 59 11.131 5.193 -9.556 1.00 0.00 C ATOM 1948 C SER A 59 11.878 5.984 -8.491 1.00 0.00 C ATOM 1949 O SER A 59 11.708 7.183 -8.382 1.00 0.00 O ATOM 1950 CB SER A 59 9.629 5.325 -9.311 1.00 0.00 C ATOM 1951 OG SER A 59 9.346 6.634 -8.834 1.00 0.00 O ATOM 0 H SER A 59 10.773 3.087 -9.474 1.00 0.00 H new ATOM 0 HA SER A 59 11.376 5.592 -10.540 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.080 5.135 -10.233 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.300 4.582 -8.585 1.00 0.00 H new ATOM 0 HG SER A 59 10.105 7.223 -9.026 1.00 0.00 H new ATOM 1957 N SER A 60 12.695 5.340 -7.689 1.00 0.00 N ATOM 1958 CA SER A 60 13.430 6.092 -6.627 1.00 0.00 C ATOM 1959 C SER A 60 14.859 5.553 -6.474 1.00 0.00 C ATOM 1960 O SER A 60 15.163 4.810 -5.561 1.00 0.00 O ATOM 1961 CB SER A 60 12.661 5.939 -5.319 1.00 0.00 C ATOM 1962 OG SER A 60 13.088 6.934 -4.397 1.00 0.00 O ATOM 0 H SER A 60 12.882 4.338 -7.725 1.00 0.00 H new ATOM 0 HA SER A 60 13.502 7.145 -6.899 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.590 6.033 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.827 4.946 -4.901 1.00 0.00 H new ATOM 0 HG SER A 60 13.545 7.654 -4.881 1.00 0.00 H new ATOM 1968 N LYS A 61 15.740 5.956 -7.352 1.00 0.00 N ATOM 1969 CA LYS A 61 17.166 5.516 -7.271 1.00 0.00 C ATOM 1970 C LYS A 61 18.044 6.579 -7.935 1.00 0.00 C ATOM 1971 O LYS A 61 17.574 7.378 -8.721 1.00 0.00 O ATOM 1972 CB LYS A 61 17.356 4.165 -7.977 1.00 0.00 C ATOM 1973 CG LYS A 61 16.696 3.055 -7.148 1.00 0.00 C ATOM 1974 CD LYS A 61 17.056 1.673 -7.722 1.00 0.00 C ATOM 1975 CE LYS A 61 18.438 1.223 -7.229 1.00 0.00 C ATOM 1976 NZ LYS A 61 18.625 -0.217 -7.565 1.00 0.00 N ATOM 0 H LYS A 61 15.530 6.579 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 61 17.449 5.395 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.916 4.199 -8.974 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.418 3.956 -8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.025 3.122 -6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.614 3.186 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.303 0.943 -7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.048 1.713 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 61 19.219 1.823 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 61 18.521 1.373 -6.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.560 -0.532 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.885 -0.781 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.561 -0.344 -8.595 1.00 0.00 H new ATOM 1990 N GLY A 62 19.314 6.608 -7.625 1.00 0.00 N ATOM 1991 CA GLY A 62 20.211 7.636 -8.237 1.00 0.00 C ATOM 1992 C GLY A 62 21.609 7.054 -8.442 1.00 0.00 C ATOM 1993 O GLY A 62 22.547 7.420 -7.763 1.00 0.00 O ATOM 0 H GLY A 62 19.769 5.966 -6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.802 7.966 -9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.264 8.514 -7.593 1.00 0.00 H new ATOM 1997 N LYS A 63 21.765 6.158 -9.377 1.00 0.00 N ATOM 1998 CA LYS A 63 23.113 5.573 -9.615 1.00 0.00 C ATOM 1999 C LYS A 63 24.088 6.686 -9.991 1.00 0.00 C ATOM 2000 O LYS A 63 25.199 6.735 -9.504 1.00 0.00 O ATOM 2001 CB LYS A 63 23.037 4.559 -10.760 1.00 0.00 C ATOM 2002 CG LYS A 63 24.436 4.006 -11.048 1.00 0.00 C ATOM 2003 CD LYS A 63 24.328 2.761 -11.937 1.00 0.00 C ATOM 2004 CE LYS A 63 23.748 3.146 -13.301 1.00 0.00 C ATOM 2005 NZ LYS A 63 23.949 2.026 -14.263 1.00 0.00 N ATOM 0 H LYS A 63 21.023 5.808 -9.982 1.00 0.00 H new ATOM 0 HA LYS A 63 23.457 5.074 -8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.361 3.746 -10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 63 22.631 5.033 -11.653 1.00 0.00 H new ATOM 0 HG2 LYS A 63 25.043 4.765 -11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 63 24.938 3.755 -10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.311 2.308 -12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 63 23.693 2.015 -11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.686 3.371 -13.206 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.233 4.049 -13.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.555 2.289 -15.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.966 1.832 -14.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 23.467 1.175 -13.910 1.00 0.00 H new ATOM 2019 N LYS A 64 23.676 7.579 -10.857 1.00 0.00 N ATOM 2020 CA LYS A 64 24.568 8.706 -11.283 1.00 0.00 C ATOM 2021 C LYS A 64 23.958 10.048 -10.865 1.00 0.00 C ATOM 2022 O LYS A 64 24.571 11.087 -11.007 1.00 0.00 O ATOM 2023 CB LYS A 64 24.725 8.659 -12.806 1.00 0.00 C ATOM 2024 CG LYS A 64 23.348 8.710 -13.479 1.00 0.00 C ATOM 2025 CD LYS A 64 23.514 8.835 -15.000 1.00 0.00 C ATOM 2026 CE LYS A 64 24.166 7.569 -15.572 1.00 0.00 C ATOM 2027 NZ LYS A 64 25.644 7.647 -15.394 1.00 0.00 N ATOM 0 H LYS A 64 22.753 7.577 -11.291 1.00 0.00 H new ATOM 0 HA LYS A 64 25.542 8.604 -10.805 1.00 0.00 H new ATOM 0 HB2 LYS A 64 25.334 9.498 -13.143 1.00 0.00 H new ATOM 0 HB3 LYS A 64 25.248 7.748 -13.098 1.00 0.00 H new ATOM 0 HG2 LYS A 64 22.783 7.809 -13.239 1.00 0.00 H new ATOM 0 HG3 LYS A 64 22.777 9.556 -13.096 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.542 8.994 -15.467 1.00 0.00 H new ATOM 0 HD3 LYS A 64 24.126 9.705 -15.235 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.774 6.686 -15.067 1.00 0.00 H new ATOM 0 HE3 LYS A 64 23.921 7.467 -16.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.114 7.437 -16.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 25.906 8.604 -15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 25.944 6.955 -14.678 1.00 0.00 H new ATOM 2041 N ARG A 65 22.757 10.036 -10.355 1.00 0.00 N ATOM 2042 CA ARG A 65 22.114 11.315 -9.934 1.00 0.00 C ATOM 2043 C ARG A 65 22.813 11.853 -8.681 1.00 0.00 C ATOM 2044 O ARG A 65 23.165 11.108 -7.788 1.00 0.00 O ATOM 2045 CB ARG A 65 20.632 11.062 -9.627 1.00 0.00 C ATOM 2046 CG ARG A 65 19.891 12.399 -9.406 1.00 0.00 C ATOM 2047 CD ARG A 65 19.400 12.979 -10.750 1.00 0.00 C ATOM 2048 NE ARG A 65 19.534 14.469 -10.733 1.00 0.00 N ATOM 2049 CZ ARG A 65 19.151 15.172 -9.698 1.00 0.00 C ATOM 2050 NH1 ARG A 65 18.448 14.622 -8.749 1.00 0.00 N ATOM 2051 NH2 ARG A 65 19.424 16.446 -9.647 1.00 0.00 N ATOM 0 H ARG A 65 22.193 9.198 -10.211 1.00 0.00 H new ATOM 0 HA ARG A 65 22.200 12.047 -10.737 1.00 0.00 H new ATOM 0 HB2 ARG A 65 20.172 10.516 -10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 65 20.540 10.437 -8.739 1.00 0.00 H new ATOM 0 HG2 ARG A 65 19.043 12.245 -8.739 1.00 0.00 H new ATOM 0 HG3 ARG A 65 20.555 13.112 -8.917 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.981 12.561 -11.572 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.360 12.699 -10.920 1.00 0.00 H new ATOM 0 HE ARG A 65 19.931 14.945 -11.543 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.192 13.636 -8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.153 15.177 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.933 16.889 -10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.128 16.999 -8.843 1.00 0.00 H new ATOM 2065 N ARG A 66 23.011 13.145 -8.615 1.00 0.00 N ATOM 2066 CA ARG A 66 23.685 13.761 -7.427 1.00 0.00 C ATOM 2067 C ARG A 66 22.855 14.950 -6.938 1.00 0.00 C ATOM 2068 O ARG A 66 21.801 15.184 -7.504 1.00 0.00 O ATOM 2069 CB ARG A 66 25.068 14.259 -7.836 1.00 0.00 C ATOM 2070 CG ARG A 66 24.948 15.060 -9.131 1.00 0.00 C ATOM 2071 CD ARG A 66 26.309 15.660 -9.471 1.00 0.00 C ATOM 2072 NE ARG A 66 26.784 16.508 -8.327 1.00 0.00 N ATOM 2073 CZ ARG A 66 26.096 17.532 -7.892 1.00 0.00 C ATOM 2074 NH1 ARG A 66 25.050 17.959 -8.544 1.00 0.00 N ATOM 2075 NH2 ARG A 66 26.486 18.162 -6.817 1.00 0.00 N ATOM 2076 OXT ARG A 66 23.293 15.610 -6.009 1.00 0.00 O ATOM 0 H ARG A 66 22.733 13.807 -9.339 1.00 0.00 H new ATOM 0 HA ARG A 66 23.777 13.020 -6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 66 25.492 14.880 -7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 66 25.745 13.416 -7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 66 24.607 14.416 -9.942 1.00 0.00 H new ATOM 0 HG3 ARG A 66 24.206 15.850 -9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 66 27.028 14.866 -9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 66 26.237 16.261 -10.377 1.00 0.00 H new ATOM 0 HE ARG A 66 27.669 16.279 -7.875 1.00 0.00 H new ATOM 0 HH11 ARG A 66 24.760 17.493 -9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 66 24.522 18.759 -8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 66 27.323 17.855 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 66 25.954 18.961 -6.473 1.00 0.00 H new TER 2090 ARG A 66 HETATM 2091 ZN ZN A 67 -12.059 3.197 1.706 1.00 0.00 ZN