USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 NoAdj-H: A 147 HIS HE2 : A 147 HIS NE2 : A 187 ZNZN :(H bumps) USER MOD NoAdj-H: A 169 HIS HE2 : A 169 HIS NE2 : A 188 ZNZN :(H bumps) USER MOD Set 1.1: A 148 HIS : no HD1:sc= -0.432 X(o=-0.35,f=-0.088) USER MOD Set 1.2: B 5 G O2' : rot 27:sc= 0.0788 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= 0.221 K(o=0.22,f=-2.5!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot -43:sc= 0.314 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 0.0696 K(o=0.07,f=-1.6) USER MOD Single : A 150 LYS NZ :NH3+ 167:sc= -0.238 (180deg=-0.275) USER MOD Single : A 153 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0733) USER MOD Single : A 157 GLN : amide:sc= -0.874 K(o=-0.87,f=-0.28) USER MOD Single : A 159 LYS NZ :NH3+ 143:sc= 1.33 (180deg=-0.424) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -0.773 K(o=-0.77,f=-1.5) USER MOD Single : A 165 GLN : amide:sc= -0.841 K(o=-0.84,f=-3!) USER MOD Single : A 166 SER OG : rot 114:sc= 1.33 USER MOD Single : A 168 SER OG : rot 71:sc= -0.242 USER MOD Single : A 170 MET CE :methyl 180:sc= -3.55! (180deg=-3.55!) USER MOD Single : A 173 SER OG : rot -45:sc= 0.189 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 179 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.2!) USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 183 SER OG : rot 11:sc= 0.714 USER MOD Single : A 185 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : B 1 A O2' : rot 50:sc= -1.04 USER MOD Single : B 1 A O5' : rot 180:sc= 0 USER MOD Single : B 2 G O2' : rot 47:sc= 0.959 USER MOD Single : B 3 G O2' : rot 42:sc= 0.65 USER MOD Single : B 4 A O2' : rot 180:sc= -0.395 USER MOD Single : B 6 A O2' : rot -36:sc= 0.917 USER MOD Single : B 7 U O2' : rot 180:sc= 0 USER MOD Single : B 7 U O3' : rot 128:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 9.249 -10.463 0.046 1.00 0.00 N ATOM 2 CA PRO A 124 9.437 -9.779 -1.239 1.00 0.00 C ATOM 3 C PRO A 124 10.683 -8.890 -1.261 1.00 0.00 C ATOM 4 O PRO A 124 11.694 -9.283 -1.833 1.00 0.00 O ATOM 5 CB PRO A 124 8.131 -9.039 -1.541 1.00 0.00 C ATOM 6 CG PRO A 124 7.083 -9.799 -0.717 1.00 0.00 C ATOM 7 CD PRO A 124 7.871 -10.945 -0.091 1.00 0.00 C ATOM 0 HA PRO A 124 9.637 -10.496 -2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 124 8.188 -7.991 -1.248 1.00 0.00 H new ATOM 0 HB3 PRO A 124 7.896 -9.060 -2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 124 6.633 -9.161 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 124 6.272 -10.168 -1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.456 -11.220 0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.830 -11.835 -0.719 1.00 0.00 H new ATOM 15 N LYS A 125 10.620 -7.705 -0.644 1.00 0.00 N ATOM 16 CA LYS A 125 11.720 -6.747 -0.620 1.00 0.00 C ATOM 17 C LYS A 125 11.737 -6.017 0.721 1.00 0.00 C ATOM 18 O LYS A 125 10.859 -6.231 1.553 1.00 0.00 O ATOM 19 CB LYS A 125 11.552 -5.747 -1.771 1.00 0.00 C ATOM 20 CG LYS A 125 11.645 -6.399 -3.154 1.00 0.00 C ATOM 21 CD LYS A 125 13.039 -6.971 -3.420 1.00 0.00 C ATOM 22 CE LYS A 125 13.021 -7.765 -4.720 1.00 0.00 C ATOM 23 NZ LYS A 125 14.299 -8.475 -4.921 1.00 0.00 N ATOM 0 H LYS A 125 9.792 -7.385 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 125 12.667 -7.273 -0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 125 10.586 -5.250 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.317 -4.975 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 125 10.905 -7.195 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.402 -5.663 -3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.769 -6.164 -3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.345 -7.613 -2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.201 -8.483 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.838 -7.093 -5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 14.263 -9.009 -5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.077 -7.786 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.459 -9.132 -4.131 1.00 0.00 H new ATOM 37 N GLY A 126 12.733 -5.153 0.935 1.00 0.00 N ATOM 38 CA GLY A 126 12.837 -4.424 2.189 1.00 0.00 C ATOM 39 C GLY A 126 13.958 -3.396 2.211 1.00 0.00 C ATOM 40 O GLY A 126 14.487 -3.094 3.276 1.00 0.00 O ATOM 0 H GLY A 126 13.469 -4.947 0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 126 11.891 -3.920 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 126 12.993 -5.135 3.000 1.00 0.00 H new ATOM 44 N LYS A 127 14.322 -2.865 1.044 1.00 0.00 N ATOM 45 CA LYS A 127 15.437 -1.937 0.912 1.00 0.00 C ATOM 46 C LYS A 127 15.171 -0.928 -0.200 1.00 0.00 C ATOM 47 O LYS A 127 14.438 -1.229 -1.142 1.00 0.00 O ATOM 48 CB LYS A 127 16.711 -2.720 0.571 1.00 0.00 C ATOM 49 CG LYS A 127 16.971 -3.847 1.571 1.00 0.00 C ATOM 50 CD LYS A 127 18.272 -4.580 1.243 1.00 0.00 C ATOM 51 CE LYS A 127 18.277 -5.082 -0.197 1.00 0.00 C ATOM 52 NZ LYS A 127 19.523 -5.809 -0.487 1.00 0.00 N ATOM 0 H LYS A 127 13.849 -3.069 0.164 1.00 0.00 H new ATOM 0 HA LYS A 127 15.557 -1.404 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 127 16.623 -3.137 -0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 127 17.563 -2.040 0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 127 17.024 -3.438 2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 127 16.139 -4.551 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 127 19.118 -3.911 1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 127 18.400 -5.421 1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 127 17.421 -5.736 -0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 127 18.173 -4.240 -0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.509 -6.143 -1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 20.335 -5.175 -0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 19.607 -6.624 0.154 1.00 0.00 H new ATOM 66 N SER A 128 15.756 0.265 -0.093 1.00 0.00 N ATOM 67 CA SER A 128 15.631 1.292 -1.114 1.00 0.00 C ATOM 68 C SER A 128 16.714 2.345 -0.921 1.00 0.00 C ATOM 69 O SER A 128 17.213 2.538 0.183 1.00 0.00 O ATOM 70 CB SER A 128 14.255 1.955 -0.986 1.00 0.00 C ATOM 71 OG SER A 128 14.126 3.007 -1.921 1.00 0.00 O ATOM 0 H SER A 128 16.328 0.541 0.705 1.00 0.00 H new ATOM 0 HA SER A 128 15.740 0.841 -2.100 1.00 0.00 H new ATOM 0 HB2 SER A 128 13.471 1.216 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 128 14.123 2.340 0.025 1.00 0.00 H new ATOM 0 HG SER A 128 13.242 3.420 -1.829 1.00 0.00 H new ATOM 77 N MET A 129 17.076 3.031 -2.009 1.00 0.00 N ATOM 78 CA MET A 129 17.977 4.170 -1.989 1.00 0.00 C ATOM 79 C MET A 129 17.775 4.975 -3.268 1.00 0.00 C ATOM 80 O MET A 129 17.537 4.400 -4.330 1.00 0.00 O ATOM 81 CB MET A 129 19.421 3.691 -1.869 1.00 0.00 C ATOM 82 CG MET A 129 19.804 2.753 -3.012 1.00 0.00 C ATOM 83 SD MET A 129 21.482 2.091 -2.880 1.00 0.00 S ATOM 84 CE MET A 129 21.385 0.897 -4.232 1.00 0.00 C ATOM 0 H MET A 129 16.740 2.799 -2.944 1.00 0.00 H new ATOM 0 HA MET A 129 17.762 4.804 -1.129 1.00 0.00 H new ATOM 0 HB2 MET A 129 20.090 4.551 -1.865 1.00 0.00 H new ATOM 0 HB3 MET A 129 19.556 3.178 -0.917 1.00 0.00 H new ATOM 0 HG2 MET A 129 19.097 1.924 -3.042 1.00 0.00 H new ATOM 0 HG3 MET A 129 19.707 3.288 -3.957 1.00 0.00 H new ATOM 0 HE1 MET A 129 22.336 0.371 -4.322 1.00 0.00 H new ATOM 0 HE2 MET A 129 20.591 0.179 -4.027 1.00 0.00 H new ATOM 0 HE3 MET A 129 21.170 1.419 -5.164 1.00 0.00 H new ATOM 94 N GLN A 130 17.875 6.300 -3.170 1.00 0.00 N ATOM 95 CA GLN A 130 17.653 7.198 -4.298 1.00 0.00 C ATOM 96 C GLN A 130 18.460 8.484 -4.137 1.00 0.00 C ATOM 97 O GLN A 130 19.153 8.675 -3.139 1.00 0.00 O ATOM 98 CB GLN A 130 16.167 7.568 -4.381 1.00 0.00 C ATOM 99 CG GLN A 130 15.280 6.381 -4.759 1.00 0.00 C ATOM 100 CD GLN A 130 13.833 6.825 -4.906 1.00 0.00 C ATOM 101 OE1 GLN A 130 12.956 6.335 -4.206 1.00 0.00 O ATOM 102 NE2 GLN A 130 13.567 7.755 -5.817 1.00 0.00 N ATOM 0 H GLN A 130 18.113 6.781 -2.302 1.00 0.00 H new ATOM 0 HA GLN A 130 17.970 6.683 -5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 130 15.842 7.966 -3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 130 16.036 8.362 -5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 130 15.629 5.942 -5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 130 15.353 5.606 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 130 14.320 8.143 -6.384 1.00 0.00 H new ATOM 0 HE22 GLN A 130 12.609 8.081 -5.949 1.00 0.00 H new ATOM 111 N LYS A 131 18.349 9.364 -5.135 1.00 0.00 N ATOM 112 CA LYS A 131 18.946 10.691 -5.109 1.00 0.00 C ATOM 113 C LYS A 131 18.071 11.691 -5.873 1.00 0.00 C ATOM 114 O LYS A 131 18.223 12.896 -5.695 1.00 0.00 O ATOM 115 CB LYS A 131 20.357 10.612 -5.713 1.00 0.00 C ATOM 116 CG LYS A 131 21.136 11.927 -5.637 1.00 0.00 C ATOM 117 CD LYS A 131 21.264 12.460 -4.209 1.00 0.00 C ATOM 118 CE LYS A 131 21.914 11.424 -3.294 1.00 0.00 C ATOM 119 NZ LYS A 131 22.041 11.934 -1.917 1.00 0.00 N ATOM 0 H LYS A 131 17.834 9.167 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 131 19.017 11.043 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 131 20.921 9.836 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 131 20.279 10.307 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 131 22.132 11.778 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 131 20.639 12.674 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 131 21.859 13.374 -4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 131 20.278 12.722 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.318 10.511 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 131 22.899 11.161 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.486 11.209 -1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 22.629 12.792 -1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 21.098 12.161 -1.543 1.00 0.00 H new ATOM 133 N ARG A 132 17.157 11.193 -6.717 1.00 0.00 N ATOM 134 CA ARG A 132 16.249 12.005 -7.514 1.00 0.00 C ATOM 135 C ARG A 132 14.852 11.391 -7.565 1.00 0.00 C ATOM 136 O ARG A 132 14.644 10.268 -7.109 1.00 0.00 O ATOM 137 CB ARG A 132 16.812 12.131 -8.921 1.00 0.00 C ATOM 138 CG ARG A 132 18.256 12.632 -8.867 1.00 0.00 C ATOM 139 CD ARG A 132 18.675 13.040 -10.267 1.00 0.00 C ATOM 140 NE ARG A 132 18.667 11.902 -11.195 1.00 0.00 N ATOM 141 CZ ARG A 132 18.948 12.002 -12.499 1.00 0.00 C ATOM 142 NH1 ARG A 132 19.267 13.176 -13.035 1.00 0.00 N ATOM 143 NH2 ARG A 132 18.912 10.926 -13.271 1.00 0.00 N ATOM 0 H ARG A 132 17.032 10.191 -6.862 1.00 0.00 H new ATOM 0 HA ARG A 132 16.160 12.989 -7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.773 11.165 -9.425 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.202 12.820 -9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 132 18.338 13.478 -8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 132 18.914 11.851 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 132 18.002 13.814 -10.636 1.00 0.00 H new ATOM 0 HD3 ARG A 132 19.674 13.475 -10.235 1.00 0.00 H new ATOM 0 HE ARG A 132 18.433 10.981 -10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 132 19.299 14.011 -12.451 1.00 0.00 H new ATOM 0 HH12 ARG A 132 19.480 13.241 -14.030 1.00 0.00 H new ATOM 0 HH21 ARG A 132 18.670 10.019 -12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 132 19.127 11.004 -14.265 1.00 0.00 H new ATOM 157 N ARG A 133 13.892 12.137 -8.126 1.00 0.00 N ATOM 158 CA ARG A 133 12.515 11.681 -8.286 1.00 0.00 C ATOM 159 C ARG A 133 12.376 10.733 -9.475 1.00 0.00 C ATOM 160 O ARG A 133 13.362 10.425 -10.141 1.00 0.00 O ATOM 161 CB ARG A 133 11.593 12.884 -8.490 1.00 0.00 C ATOM 162 CG ARG A 133 11.570 13.797 -7.263 1.00 0.00 C ATOM 163 CD ARG A 133 10.425 14.793 -7.444 1.00 0.00 C ATOM 164 NE ARG A 133 10.299 15.702 -6.303 1.00 0.00 N ATOM 165 CZ ARG A 133 9.163 16.335 -5.996 1.00 0.00 C ATOM 166 NH1 ARG A 133 8.068 16.162 -6.728 1.00 0.00 N ATOM 167 NH2 ARG A 133 9.115 17.155 -4.949 1.00 0.00 N ATOM 0 H ARG A 133 14.055 13.079 -8.482 1.00 0.00 H new ATOM 0 HA ARG A 133 12.234 11.142 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.924 13.452 -9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.582 12.535 -8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.428 13.212 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 133 12.520 14.321 -7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.590 15.373 -8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.490 14.249 -7.578 1.00 0.00 H new ATOM 0 HE ARG A 133 11.117 15.859 -5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 133 8.088 15.540 -7.536 1.00 0.00 H new ATOM 0 HH12 ARG A 133 7.208 16.652 -6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 133 9.947 17.302 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 133 8.246 17.636 -4.718 1.00 0.00 H new ATOM 181 N SER A 134 11.137 10.288 -9.726 1.00 0.00 N ATOM 182 CA SER A 134 10.730 9.435 -10.844 1.00 0.00 C ATOM 183 C SER A 134 10.889 7.960 -10.489 1.00 0.00 C ATOM 184 O SER A 134 10.791 7.087 -11.352 1.00 0.00 O ATOM 185 CB SER A 134 11.482 9.810 -12.119 1.00 0.00 C ATOM 186 OG SER A 134 10.860 9.233 -13.242 1.00 0.00 O ATOM 0 H SER A 134 10.352 10.528 -9.120 1.00 0.00 H new ATOM 0 HA SER A 134 9.671 9.603 -11.039 1.00 0.00 H new ATOM 0 HB2 SER A 134 11.509 10.894 -12.227 1.00 0.00 H new ATOM 0 HB3 SER A 134 12.516 9.470 -12.053 1.00 0.00 H new ATOM 0 HG SER A 134 10.607 8.309 -13.037 1.00 0.00 H new ATOM 192 N LYS A 135 11.142 7.676 -9.208 1.00 0.00 N ATOM 193 CA LYS A 135 11.334 6.325 -8.696 1.00 0.00 C ATOM 194 C LYS A 135 10.924 6.283 -7.227 1.00 0.00 C ATOM 195 O LYS A 135 10.895 7.321 -6.566 1.00 0.00 O ATOM 196 CB LYS A 135 12.800 5.940 -8.895 1.00 0.00 C ATOM 197 CG LYS A 135 13.048 4.479 -8.512 1.00 0.00 C ATOM 198 CD LYS A 135 14.444 4.019 -8.922 1.00 0.00 C ATOM 199 CE LYS A 135 14.580 4.022 -10.446 1.00 0.00 C ATOM 200 NZ LYS A 135 15.916 3.578 -10.868 1.00 0.00 N ATOM 0 H LYS A 135 11.220 8.395 -8.489 1.00 0.00 H new ATOM 0 HA LYS A 135 10.714 5.606 -9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 135 13.082 6.098 -9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 135 13.434 6.589 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 135 12.927 4.359 -7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 135 12.301 3.845 -8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 135 15.194 4.676 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 135 14.632 3.017 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 135 13.824 3.369 -10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 135 14.392 5.026 -10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 15.975 3.592 -11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 16.635 4.217 -10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 16.085 2.611 -10.525 1.00 0.00 H new ATOM 214 N GLY A 136 10.608 5.092 -6.708 1.00 0.00 N ATOM 215 CA GLY A 136 10.255 4.908 -5.309 1.00 0.00 C ATOM 216 C GLY A 136 8.746 4.979 -5.089 1.00 0.00 C ATOM 217 O GLY A 136 8.284 4.804 -3.962 1.00 0.00 O ATOM 0 H GLY A 136 10.592 4.230 -7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.627 3.943 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.746 5.673 -4.707 1.00 0.00 H new ATOM 221 N ASP A 137 7.977 5.230 -6.144 1.00 0.00 N ATOM 222 CA ASP A 137 6.526 5.319 -6.064 1.00 0.00 C ATOM 223 C ASP A 137 5.869 4.661 -7.278 1.00 0.00 C ATOM 224 O ASP A 137 6.507 4.436 -8.307 1.00 0.00 O ATOM 225 CB ASP A 137 6.117 6.786 -5.908 1.00 0.00 C ATOM 226 CG ASP A 137 6.863 7.723 -6.861 1.00 0.00 C ATOM 227 OD1 ASP A 137 6.703 7.564 -8.089 1.00 0.00 O ATOM 228 OD2 ASP A 137 7.597 8.601 -6.350 1.00 0.00 O ATOM 0 H ASP A 137 8.347 5.378 -7.083 1.00 0.00 H new ATOM 0 HA ASP A 137 6.175 4.772 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.045 6.878 -6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.301 7.101 -4.881 1.00 0.00 H new ATOM 233 N ARG A 138 4.574 4.349 -7.145 1.00 0.00 N ATOM 234 CA ARG A 138 3.785 3.623 -8.135 1.00 0.00 C ATOM 235 C ARG A 138 2.342 4.133 -8.108 1.00 0.00 C ATOM 236 O ARG A 138 1.999 4.947 -7.254 1.00 0.00 O ATOM 237 CB ARG A 138 3.841 2.132 -7.781 1.00 0.00 C ATOM 238 CG ARG A 138 5.200 1.519 -8.144 1.00 0.00 C ATOM 239 CD ARG A 138 5.281 0.066 -7.679 1.00 0.00 C ATOM 240 NE ARG A 138 6.661 -0.435 -7.718 1.00 0.00 N ATOM 241 CZ ARG A 138 7.631 -0.107 -6.863 1.00 0.00 C ATOM 242 NH1 ARG A 138 7.417 0.752 -5.871 1.00 0.00 N ATOM 243 NH2 ARG A 138 8.835 -0.646 -7.003 1.00 0.00 N ATOM 0 H ARG A 138 4.034 4.605 -6.318 1.00 0.00 H new ATOM 0 HA ARG A 138 4.181 3.776 -9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.655 2.003 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.049 1.602 -8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.350 1.569 -9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 138 6.000 2.098 -7.683 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.892 -0.015 -6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.649 -0.556 -8.313 1.00 0.00 H new ATOM 0 HE ARG A 138 6.898 -1.090 -8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.496 1.175 -5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.173 0.988 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 138 9.013 -1.306 -7.760 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.582 -0.401 -6.354 1.00 0.00 H new ATOM 257 N CYS A 139 1.501 3.663 -9.034 1.00 0.00 N ATOM 258 CA CYS A 139 0.083 3.974 -9.100 1.00 0.00 C ATOM 259 C CYS A 139 -0.536 3.874 -7.707 1.00 0.00 C ATOM 260 O CYS A 139 -0.585 2.797 -7.112 1.00 0.00 O ATOM 261 CB CYS A 139 -0.574 3.016 -10.107 1.00 0.00 C ATOM 262 SG CYS A 139 -2.373 2.990 -9.905 1.00 0.00 S ATOM 0 H CYS A 139 1.805 3.036 -9.779 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.079 4.996 -9.442 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.324 3.323 -11.122 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.175 2.011 -9.971 1.00 0.00 H new ATOM 267 N TYR A 140 -1.006 5.011 -7.191 1.00 0.00 N ATOM 268 CA TYR A 140 -1.629 5.114 -5.877 1.00 0.00 C ATOM 269 C TYR A 140 -2.983 4.406 -5.834 1.00 0.00 C ATOM 270 O TYR A 140 -3.709 4.542 -4.845 1.00 0.00 O ATOM 271 CB TYR A 140 -1.783 6.592 -5.495 1.00 0.00 C ATOM 272 CG TYR A 140 -0.601 7.137 -4.736 1.00 0.00 C ATOM 273 CD1 TYR A 140 0.580 7.476 -5.416 1.00 0.00 C ATOM 274 CD2 TYR A 140 -0.678 7.303 -3.347 1.00 0.00 C ATOM 275 CE1 TYR A 140 1.683 7.968 -4.709 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.419 7.805 -2.630 1.00 0.00 C ATOM 277 CZ TYR A 140 1.606 8.136 -3.311 1.00 0.00 C ATOM 278 OH TYR A 140 2.682 8.619 -2.627 1.00 0.00 O ATOM 0 H TYR A 140 -0.962 5.901 -7.687 1.00 0.00 H new ATOM 0 HA TYR A 140 -0.982 4.617 -5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -1.928 7.181 -6.401 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.682 6.712 -4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 140 0.637 7.357 -6.488 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.587 7.043 -2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 140 2.593 8.219 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.353 7.937 -1.560 1.00 0.00 H new ATOM 0 HH TYR A 140 2.465 8.676 -1.673 1.00 0.00 H new ATOM 288 N ASN A 141 -3.343 3.652 -6.875 1.00 0.00 N ATOM 289 CA ASN A 141 -4.611 2.942 -6.897 1.00 0.00 C ATOM 290 C ASN A 141 -4.414 1.428 -6.979 1.00 0.00 C ATOM 291 O ASN A 141 -5.185 0.695 -6.364 1.00 0.00 O ATOM 292 CB ASN A 141 -5.451 3.459 -8.065 1.00 0.00 C ATOM 293 CG ASN A 141 -6.852 2.875 -8.037 1.00 0.00 C ATOM 294 OD1 ASN A 141 -7.717 3.376 -7.323 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.084 1.818 -8.804 1.00 0.00 N ATOM 0 H ASN A 141 -2.771 3.521 -7.710 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.138 3.133 -5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.507 4.547 -8.022 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.966 3.202 -9.007 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.010 1.390 -8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.337 1.433 -9.382 1.00 0.00 H new ATOM 302 N CYS A 142 -3.407 0.955 -7.723 1.00 0.00 N ATOM 303 CA CYS A 142 -3.178 -0.468 -7.892 1.00 0.00 C ATOM 304 C CYS A 142 -1.796 -0.885 -7.410 1.00 0.00 C ATOM 305 O CYS A 142 -1.628 -1.946 -6.807 1.00 0.00 O ATOM 306 CB CYS A 142 -3.414 -0.836 -9.352 1.00 0.00 C ATOM 307 SG CYS A 142 -2.028 -0.346 -10.391 1.00 0.00 S ATOM 0 H CYS A 142 -2.740 1.548 -8.216 1.00 0.00 H new ATOM 0 HA CYS A 142 -3.884 -1.019 -7.270 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.570 -1.911 -9.436 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.324 -0.353 -9.707 1.00 0.00 H new ATOM 312 N GLY A 143 -0.808 -0.033 -7.693 1.00 0.00 N ATOM 313 CA GLY A 143 0.572 -0.282 -7.337 1.00 0.00 C ATOM 314 C GLY A 143 1.424 -0.560 -8.574 1.00 0.00 C ATOM 315 O GLY A 143 2.505 -1.123 -8.447 1.00 0.00 O ATOM 0 H GLY A 143 -0.954 0.852 -8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.973 0.580 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 143 0.626 -1.132 -6.657 1.00 0.00 H new ATOM 319 N GLY A 144 0.955 -0.183 -9.770 1.00 0.00 N ATOM 320 CA GLY A 144 1.712 -0.360 -11.002 1.00 0.00 C ATOM 321 C GLY A 144 2.736 0.753 -11.200 1.00 0.00 C ATOM 322 O GLY A 144 2.676 1.785 -10.544 1.00 0.00 O ATOM 0 H GLY A 144 0.042 0.252 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.221 -1.323 -10.981 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.027 -0.380 -11.850 1.00 0.00 H new ATOM 326 N LEU A 145 3.692 0.567 -12.108 1.00 0.00 N ATOM 327 CA LEU A 145 4.812 1.489 -12.253 1.00 0.00 C ATOM 328 C LEU A 145 4.817 2.157 -13.618 1.00 0.00 C ATOM 329 O LEU A 145 5.472 3.181 -13.803 1.00 0.00 O ATOM 330 CB LEU A 145 6.155 0.778 -12.048 1.00 0.00 C ATOM 331 CG LEU A 145 6.113 -0.746 -12.194 1.00 0.00 C ATOM 332 CD1 LEU A 145 7.524 -1.274 -12.405 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.571 -1.364 -10.910 1.00 0.00 C ATOM 0 H LEU A 145 3.711 -0.220 -12.757 1.00 0.00 H new ATOM 0 HA LEU A 145 4.684 2.249 -11.483 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.872 1.176 -12.765 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.529 1.022 -11.054 1.00 0.00 H new ATOM 0 HG LEU A 145 5.477 -1.003 -13.041 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.495 -2.359 -12.509 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.946 -0.834 -13.309 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.144 -1.008 -11.549 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.541 -2.449 -11.013 1.00 0.00 H new ATOM 0 HD22 LEU A 145 6.219 -1.097 -10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.565 -0.989 -10.722 1.00 0.00 H new ATOM 345 N ASP A 146 4.092 1.579 -14.573 1.00 0.00 N ATOM 346 CA ASP A 146 4.028 2.105 -15.926 1.00 0.00 C ATOM 347 C ASP A 146 2.882 3.115 -16.075 1.00 0.00 C ATOM 348 O ASP A 146 2.659 3.658 -17.160 1.00 0.00 O ATOM 349 CB ASP A 146 3.874 0.926 -16.889 1.00 0.00 C ATOM 350 CG ASP A 146 3.769 1.369 -18.344 1.00 0.00 C ATOM 351 OD1 ASP A 146 4.683 2.084 -18.804 1.00 0.00 O ATOM 352 OD2 ASP A 146 2.767 0.988 -18.986 1.00 0.00 O ATOM 0 H ASP A 146 3.536 0.736 -14.427 1.00 0.00 H new ATOM 0 HA ASP A 146 4.945 2.646 -16.160 1.00 0.00 H new ATOM 0 HB2 ASP A 146 4.727 0.256 -16.777 1.00 0.00 H new ATOM 0 HB3 ASP A 146 2.984 0.356 -16.621 1.00 0.00 H new ATOM 357 N HIS A 147 2.150 3.382 -14.989 1.00 0.00 N ATOM 358 CA HIS A 147 1.024 4.306 -15.010 1.00 0.00 C ATOM 359 C HIS A 147 0.787 4.896 -13.623 1.00 0.00 C ATOM 360 O HIS A 147 1.527 4.608 -12.685 1.00 0.00 O ATOM 361 CB HIS A 147 -0.227 3.562 -15.483 1.00 0.00 C ATOM 362 CG HIS A 147 -0.693 2.505 -14.514 1.00 0.00 C ATOM 363 ND1 HIS A 147 -0.215 1.220 -14.409 1.00 0.00 N ATOM 364 CD2 HIS A 147 -1.685 2.638 -13.584 1.00 0.00 C ATOM 365 CE1 HIS A 147 -0.910 0.598 -13.443 1.00 0.00 C ATOM 366 NE2 HIS A 147 -1.835 1.418 -12.913 1.00 0.00 N ATOM 0 H HIS A 147 2.325 2.963 -14.076 1.00 0.00 H new ATOM 0 HA HIS A 147 1.247 5.124 -15.695 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -1.031 4.281 -15.641 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -0.022 3.097 -16.447 1.00 0.00 H new ATOM 0 HD1 HIS A 147 0.535 0.811 -14.966 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.258 3.534 -13.397 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -0.748 -0.424 -13.133 1.00 0.00 H new ATOM 374 N HIS A 148 -0.255 5.727 -13.502 1.00 0.00 N ATOM 375 CA HIS A 148 -0.601 6.406 -12.262 1.00 0.00 C ATOM 376 C HIS A 148 -2.059 6.127 -11.891 1.00 0.00 C ATOM 377 O HIS A 148 -2.823 5.622 -12.706 1.00 0.00 O ATOM 378 CB HIS A 148 -0.373 7.910 -12.436 1.00 0.00 C ATOM 379 CG HIS A 148 1.070 8.303 -12.631 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.503 9.452 -13.305 1.00 0.00 N ATOM 381 CD2 HIS A 148 2.159 7.624 -12.167 1.00 0.00 C ATOM 382 CE1 HIS A 148 2.844 9.426 -13.229 1.00 0.00 C ATOM 383 NE2 HIS A 148 3.265 8.336 -12.563 1.00 0.00 N ATOM 0 H HIS A 148 -0.884 5.945 -14.275 1.00 0.00 H new ATOM 0 HA HIS A 148 0.031 6.034 -11.455 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -0.950 8.256 -13.294 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -0.763 8.428 -11.560 1.00 0.00 H new ATOM 0 HD2 HIS A 148 2.153 6.705 -11.599 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.496 10.179 -13.646 1.00 0.00 H new ATOM 0 HE2 HIS A 148 4.236 8.082 -12.383 1.00 0.00 H new ATOM 391 N ALA A 149 -2.438 6.462 -10.656 1.00 0.00 N ATOM 392 CA ALA A 149 -3.760 6.193 -10.106 1.00 0.00 C ATOM 393 C ALA A 149 -4.875 6.819 -10.940 1.00 0.00 C ATOM 394 O ALA A 149 -6.006 6.338 -10.914 1.00 0.00 O ATOM 395 CB ALA A 149 -3.796 6.726 -8.674 1.00 0.00 C ATOM 0 H ALA A 149 -1.819 6.938 -10.000 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.935 5.117 -10.121 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.778 6.536 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.033 6.224 -8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -3.603 7.799 -8.680 1.00 0.00 H new ATOM 401 N LYS A 150 -4.558 7.884 -11.678 1.00 0.00 N ATOM 402 CA LYS A 150 -5.504 8.563 -12.546 1.00 0.00 C ATOM 403 C LYS A 150 -5.696 7.824 -13.865 1.00 0.00 C ATOM 404 O LYS A 150 -6.685 8.044 -14.567 1.00 0.00 O ATOM 405 CB LYS A 150 -4.994 9.978 -12.794 1.00 0.00 C ATOM 406 CG LYS A 150 -3.613 9.964 -13.466 1.00 0.00 C ATOM 407 CD LYS A 150 -2.896 11.293 -13.255 1.00 0.00 C ATOM 408 CE LYS A 150 -2.514 11.456 -11.788 1.00 0.00 C ATOM 409 NZ LYS A 150 -1.807 12.730 -11.575 1.00 0.00 N ATOM 0 H LYS A 150 -3.626 8.299 -11.686 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.478 8.590 -12.058 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.702 10.517 -13.424 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.935 10.517 -11.848 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.012 9.152 -13.056 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.724 9.771 -14.533 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.003 11.336 -13.878 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.540 12.116 -13.564 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.410 11.423 -11.168 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.880 10.626 -11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -1.750 12.929 -10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -0.847 12.664 -11.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.324 13.498 -12.049 1.00 0.00 H new ATOM 423 N GLU A 151 -4.753 6.951 -14.209 1.00 0.00 N ATOM 424 CA GLU A 151 -4.816 6.138 -15.417 1.00 0.00 C ATOM 425 C GLU A 151 -5.213 4.704 -15.099 1.00 0.00 C ATOM 426 O GLU A 151 -5.448 3.910 -16.009 1.00 0.00 O ATOM 427 CB GLU A 151 -3.449 6.101 -16.100 1.00 0.00 C ATOM 428 CG GLU A 151 -2.869 7.502 -16.255 1.00 0.00 C ATOM 429 CD GLU A 151 -1.638 7.464 -17.150 1.00 0.00 C ATOM 430 OE1 GLU A 151 -1.822 7.408 -18.386 1.00 0.00 O ATOM 431 OE2 GLU A 151 -0.523 7.494 -16.592 1.00 0.00 O ATOM 0 H GLU A 151 -3.916 6.788 -13.650 1.00 0.00 H new ATOM 0 HA GLU A 151 -5.563 6.590 -16.070 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -2.765 5.485 -15.516 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.542 5.633 -17.080 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.618 8.169 -16.682 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.605 7.905 -15.277 1.00 0.00 H new ATOM 438 N CYS A 152 -5.287 4.367 -13.809 1.00 0.00 N ATOM 439 CA CYS A 152 -5.607 3.025 -13.374 1.00 0.00 C ATOM 440 C CYS A 152 -6.958 2.586 -13.929 1.00 0.00 C ATOM 441 O CYS A 152 -7.751 3.412 -14.382 1.00 0.00 O ATOM 442 CB CYS A 152 -5.551 2.958 -11.849 1.00 0.00 C ATOM 443 SG CYS A 152 -5.079 1.282 -11.369 1.00 0.00 S ATOM 0 H CYS A 152 -5.125 5.023 -13.045 1.00 0.00 H new ATOM 0 HA CYS A 152 -4.869 2.325 -13.766 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.831 3.680 -11.464 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.520 3.216 -11.422 1.00 0.00 H new ATOM 448 N LYS A 153 -7.222 1.280 -13.895 1.00 0.00 N ATOM 449 CA LYS A 153 -8.398 0.702 -14.533 1.00 0.00 C ATOM 450 C LYS A 153 -9.134 -0.303 -13.654 1.00 0.00 C ATOM 451 O LYS A 153 -10.074 -0.954 -14.105 1.00 0.00 O ATOM 452 CB LYS A 153 -8.006 0.086 -15.875 1.00 0.00 C ATOM 453 CG LYS A 153 -6.683 -0.672 -15.830 1.00 0.00 C ATOM 454 CD LYS A 153 -6.722 -1.886 -14.903 1.00 0.00 C ATOM 455 CE LYS A 153 -7.758 -2.906 -15.365 1.00 0.00 C ATOM 456 NZ LYS A 153 -7.356 -3.548 -16.627 1.00 0.00 N ATOM 0 H LYS A 153 -6.627 0.597 -13.425 1.00 0.00 H new ATOM 0 HA LYS A 153 -9.106 1.514 -14.699 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -8.795 -0.593 -16.199 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -7.938 0.876 -16.623 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -6.423 -0.999 -16.837 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.894 0.004 -15.501 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -5.738 -2.353 -14.872 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.954 -1.563 -13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.891 -3.666 -14.595 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -8.722 -2.414 -15.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -7.999 -4.339 -16.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -7.401 -2.853 -17.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -6.384 -3.906 -16.540 1.00 0.00 H new ATOM 470 N LEU A 154 -8.700 -0.425 -12.404 1.00 0.00 N ATOM 471 CA LEU A 154 -9.317 -1.311 -11.425 1.00 0.00 C ATOM 472 C LEU A 154 -9.829 -0.476 -10.252 1.00 0.00 C ATOM 473 O LEU A 154 -9.456 0.691 -10.122 1.00 0.00 O ATOM 474 CB LEU A 154 -8.319 -2.421 -11.050 1.00 0.00 C ATOM 475 CG LEU A 154 -6.908 -1.937 -10.737 1.00 0.00 C ATOM 476 CD1 LEU A 154 -6.893 -1.386 -9.320 1.00 0.00 C ATOM 477 CD2 LEU A 154 -5.960 -3.125 -10.810 1.00 0.00 C ATOM 0 H LEU A 154 -7.902 0.094 -12.039 1.00 0.00 H new ATOM 0 HA LEU A 154 -10.190 -1.824 -11.827 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.704 -2.958 -10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -8.268 -3.136 -11.871 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.602 -1.168 -11.446 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.890 -1.034 -9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.597 -0.557 -9.244 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.181 -2.171 -8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -4.945 -2.795 -10.588 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.264 -3.878 -10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -5.991 -3.554 -11.811 1.00 0.00 H new ATOM 489 N PRO A 155 -10.683 -1.037 -9.387 1.00 0.00 N ATOM 490 CA PRO A 155 -11.274 -0.315 -8.274 1.00 0.00 C ATOM 491 C PRO A 155 -10.199 0.035 -7.252 1.00 0.00 C ATOM 492 O PRO A 155 -9.096 -0.499 -7.325 1.00 0.00 O ATOM 493 CB PRO A 155 -12.339 -1.251 -7.708 1.00 0.00 C ATOM 494 CG PRO A 155 -11.843 -2.640 -8.089 1.00 0.00 C ATOM 495 CD PRO A 155 -11.145 -2.410 -9.425 1.00 0.00 C ATOM 0 HA PRO A 155 -11.721 0.634 -8.570 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.433 -1.143 -6.628 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.320 -1.045 -8.136 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.159 -3.042 -7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -12.665 -3.349 -8.182 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.312 -3.101 -9.557 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -11.829 -2.571 -10.258 1.00 0.00 H new ATOM 503 N PRO A 156 -10.501 0.934 -6.302 1.00 0.00 N ATOM 504 CA PRO A 156 -9.530 1.437 -5.348 1.00 0.00 C ATOM 505 C PRO A 156 -9.062 0.332 -4.413 1.00 0.00 C ATOM 506 O PRO A 156 -9.717 0.014 -3.423 1.00 0.00 O ATOM 507 CB PRO A 156 -10.229 2.571 -4.599 1.00 0.00 C ATOM 508 CG PRO A 156 -11.713 2.214 -4.723 1.00 0.00 C ATOM 509 CD PRO A 156 -11.803 1.540 -6.093 1.00 0.00 C ATOM 0 HA PRO A 156 -8.628 1.801 -5.841 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -9.913 2.620 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.010 3.542 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -12.033 1.545 -3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.345 3.100 -4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.594 0.791 -6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -12.031 2.265 -6.875 1.00 0.00 H new ATOM 517 N GLN A 157 -7.915 -0.257 -4.746 1.00 0.00 N ATOM 518 CA GLN A 157 -7.318 -1.297 -3.931 1.00 0.00 C ATOM 519 C GLN A 157 -6.898 -0.711 -2.587 1.00 0.00 C ATOM 520 O GLN A 157 -6.699 0.498 -2.475 1.00 0.00 O ATOM 521 CB GLN A 157 -6.092 -1.869 -4.642 1.00 0.00 C ATOM 522 CG GLN A 157 -6.434 -2.316 -6.062 1.00 0.00 C ATOM 523 CD GLN A 157 -7.454 -3.452 -6.090 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.312 -4.440 -5.384 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.487 -3.312 -6.915 1.00 0.00 N ATOM 0 H GLN A 157 -7.381 -0.024 -5.584 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.046 -2.092 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.304 -1.117 -4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.702 -2.715 -4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -6.826 -1.467 -6.622 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.523 -2.638 -6.567 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.571 -2.473 -7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.195 -4.044 -6.974 1.00 0.00 H new ATOM 534 N PRO A 158 -6.756 -1.550 -1.559 1.00 0.00 N ATOM 535 CA PRO A 158 -6.266 -1.106 -0.278 1.00 0.00 C ATOM 536 C PRO A 158 -4.770 -0.855 -0.396 1.00 0.00 C ATOM 537 O PRO A 158 -4.038 -1.699 -0.904 1.00 0.00 O ATOM 538 CB PRO A 158 -6.573 -2.251 0.684 1.00 0.00 C ATOM 539 CG PRO A 158 -6.540 -3.490 -0.219 1.00 0.00 C ATOM 540 CD PRO A 158 -7.038 -2.971 -1.566 1.00 0.00 C ATOM 0 HA PRO A 158 -6.724 -0.180 0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.833 -2.315 1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.545 -2.126 1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.534 -3.902 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.181 -4.283 0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.529 -3.469 -2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.104 -3.159 -1.690 1.00 0.00 H new ATOM 548 N LYS A 159 -4.315 0.308 0.073 1.00 0.00 N ATOM 549 CA LYS A 159 -2.900 0.641 0.049 1.00 0.00 C ATOM 550 C LYS A 159 -2.161 -0.236 1.053 1.00 0.00 C ATOM 551 O LYS A 159 -2.059 0.097 2.230 1.00 0.00 O ATOM 552 CB LYS A 159 -2.639 2.141 0.254 1.00 0.00 C ATOM 553 CG LYS A 159 -3.611 2.870 1.187 1.00 0.00 C ATOM 554 CD LYS A 159 -3.278 4.360 1.219 1.00 0.00 C ATOM 555 CE LYS A 159 -2.230 4.698 2.276 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.803 4.631 3.634 1.00 0.00 N ATOM 0 H LYS A 159 -4.911 1.032 0.473 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.508 0.429 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.629 2.264 0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.665 2.630 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.636 2.724 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.548 2.452 2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -2.915 4.670 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -4.187 4.929 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -1.393 4.005 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -1.835 5.697 2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -2.095 4.245 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -3.077 5.586 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -3.641 4.015 3.627 1.00 0.00 H new ATOM 570 N LYS A 160 -1.649 -1.365 0.570 1.00 0.00 N ATOM 571 CA LYS A 160 -0.849 -2.297 1.349 1.00 0.00 C ATOM 572 C LYS A 160 0.491 -1.672 1.703 1.00 0.00 C ATOM 573 O LYS A 160 0.921 -0.701 1.072 1.00 0.00 O ATOM 574 CB LYS A 160 -0.577 -3.538 0.500 1.00 0.00 C ATOM 575 CG LYS A 160 -1.853 -4.331 0.197 1.00 0.00 C ATOM 576 CD LYS A 160 -1.646 -5.194 -1.048 1.00 0.00 C ATOM 577 CE LYS A 160 -2.758 -4.900 -2.050 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.568 -5.659 -3.298 1.00 0.00 N ATOM 0 H LYS A 160 -1.784 -1.661 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.390 -2.552 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.108 -3.238 -0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.133 -4.182 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.111 -4.961 1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.688 -3.648 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.673 -4.984 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.652 -6.250 -0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.723 -5.154 -1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.779 -3.833 -2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.340 -5.438 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.658 -5.398 -3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.572 -6.678 -3.089 1.00 0.00 H new ATOM 592 N CYS A 161 1.153 -2.234 2.712 1.00 0.00 N ATOM 593 CA CYS A 161 2.517 -1.894 3.051 1.00 0.00 C ATOM 594 C CYS A 161 3.417 -2.188 1.849 1.00 0.00 C ATOM 595 O CYS A 161 3.443 -3.310 1.352 1.00 0.00 O ATOM 596 CB CYS A 161 2.888 -2.727 4.276 1.00 0.00 C ATOM 597 SG CYS A 161 4.642 -2.564 4.684 1.00 0.00 S ATOM 0 H CYS A 161 0.745 -2.945 3.319 1.00 0.00 H new ATOM 0 HA CYS A 161 2.639 -0.837 3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.285 -2.412 5.127 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.653 -3.775 4.089 1.00 0.00 H new ATOM 602 N HIS A 162 4.162 -1.184 1.376 1.00 0.00 N ATOM 603 CA HIS A 162 5.101 -1.325 0.266 1.00 0.00 C ATOM 604 C HIS A 162 6.270 -2.235 0.636 1.00 0.00 C ATOM 605 O HIS A 162 7.255 -2.292 -0.097 1.00 0.00 O ATOM 606 CB HIS A 162 5.638 0.055 -0.137 1.00 0.00 C ATOM 607 CG HIS A 162 4.665 0.865 -0.953 1.00 0.00 C ATOM 608 ND1 HIS A 162 3.796 0.356 -1.922 1.00 0.00 N ATOM 609 CD2 HIS A 162 4.504 2.219 -0.862 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.133 1.423 -2.396 1.00 0.00 C ATOM 611 NE2 HIS A 162 3.533 2.547 -1.778 1.00 0.00 N ATOM 0 H HIS A 162 4.127 -0.240 1.760 1.00 0.00 H new ATOM 0 HA HIS A 162 4.567 -1.777 -0.570 1.00 0.00 H new ATOM 0 HB2 HIS A 162 5.897 0.612 0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 162 6.558 -0.074 -0.707 1.00 0.00 H new ATOM 0 HD2 HIS A 162 5.032 2.894 -0.204 1.00 0.00 H new ATOM 0 HE1 HIS A 162 2.380 1.383 -3.169 1.00 0.00 H new ATOM 0 HE2 HIS A 162 3.176 3.485 -1.958 1.00 0.00 H new ATOM 619 N PHE A 163 6.185 -2.936 1.766 1.00 0.00 N ATOM 620 CA PHE A 163 7.312 -3.647 2.331 1.00 0.00 C ATOM 621 C PHE A 163 6.973 -5.091 2.699 1.00 0.00 C ATOM 622 O PHE A 163 7.815 -5.973 2.554 1.00 0.00 O ATOM 623 CB PHE A 163 7.708 -2.869 3.569 1.00 0.00 C ATOM 624 CG PHE A 163 9.131 -3.019 4.007 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.518 -4.154 4.724 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.054 -2.012 3.705 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.850 -4.278 5.146 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.373 -2.129 4.136 1.00 0.00 C ATOM 629 CZ PHE A 163 11.774 -3.263 4.851 1.00 0.00 C ATOM 0 H PHE A 163 5.327 -3.022 2.311 1.00 0.00 H new ATOM 0 HA PHE A 163 8.119 -3.712 1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.513 -1.812 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.061 -3.176 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.799 -4.928 4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 163 9.744 -1.146 3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.164 -5.152 5.697 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.085 -1.346 3.919 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.799 -3.358 5.177 1.00 0.00 H new ATOM 639 N CYS A 164 5.746 -5.330 3.172 1.00 0.00 N ATOM 640 CA CYS A 164 5.292 -6.672 3.506 1.00 0.00 C ATOM 641 C CYS A 164 3.897 -6.945 2.927 1.00 0.00 C ATOM 642 O CYS A 164 3.299 -7.989 3.183 1.00 0.00 O ATOM 643 CB CYS A 164 5.294 -6.785 5.022 1.00 0.00 C ATOM 644 SG CYS A 164 3.983 -5.727 5.656 1.00 0.00 S ATOM 0 H CYS A 164 5.049 -4.602 3.331 1.00 0.00 H new ATOM 0 HA CYS A 164 5.956 -7.419 3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.132 -7.819 5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.259 -6.480 5.426 1.00 0.00 H new ATOM 649 N GLN A 165 3.389 -5.987 2.143 1.00 0.00 N ATOM 650 CA GLN A 165 2.063 -5.990 1.540 1.00 0.00 C ATOM 651 C GLN A 165 0.925 -6.154 2.553 1.00 0.00 C ATOM 652 O GLN A 165 -0.165 -6.593 2.192 1.00 0.00 O ATOM 653 CB GLN A 165 1.983 -6.974 0.367 1.00 0.00 C ATOM 654 CG GLN A 165 2.794 -6.460 -0.824 1.00 0.00 C ATOM 655 CD GLN A 165 4.300 -6.616 -0.631 1.00 0.00 C ATOM 656 OE1 GLN A 165 4.823 -7.722 -0.694 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.008 -5.512 -0.393 1.00 0.00 N ATOM 0 H GLN A 165 3.922 -5.151 1.904 1.00 0.00 H new ATOM 0 HA GLN A 165 1.909 -4.993 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.360 -7.949 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 165 0.943 -7.113 0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.491 -6.998 -1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.561 -5.408 -0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.541 -4.606 -0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.017 -5.573 -0.257 1.00 0.00 H new ATOM 666 N SER A 166 1.169 -5.800 3.818 1.00 0.00 N ATOM 667 CA SER A 166 0.142 -5.853 4.844 1.00 0.00 C ATOM 668 C SER A 166 -0.648 -4.554 4.874 1.00 0.00 C ATOM 669 O SER A 166 -0.106 -3.511 5.223 1.00 0.00 O ATOM 670 CB SER A 166 0.807 -6.066 6.204 1.00 0.00 C ATOM 671 OG SER A 166 1.565 -7.255 6.192 1.00 0.00 O ATOM 0 H SER A 166 2.076 -5.473 4.150 1.00 0.00 H new ATOM 0 HA SER A 166 -0.539 -6.675 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.450 -5.218 6.440 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.048 -6.117 6.985 1.00 0.00 H new ATOM 0 HG SER A 166 2.516 -7.038 6.290 1.00 0.00 H new ATOM 677 N ILE A 167 -1.932 -4.605 4.508 1.00 0.00 N ATOM 678 CA ILE A 167 -2.848 -3.469 4.604 1.00 0.00 C ATOM 679 C ILE A 167 -3.084 -3.048 6.050 1.00 0.00 C ATOM 680 O ILE A 167 -3.543 -1.936 6.303 1.00 0.00 O ATOM 681 CB ILE A 167 -4.198 -3.839 3.994 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.801 -5.048 4.723 1.00 0.00 C ATOM 683 CG2 ILE A 167 -4.012 -4.123 2.506 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.887 -5.713 3.889 1.00 0.00 C ATOM 0 H ILE A 167 -2.368 -5.447 4.132 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.388 -2.641 4.065 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.894 -3.008 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -4.016 -5.771 4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.218 -4.728 5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.972 -4.388 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.618 -3.235 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.313 -4.949 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.293 -6.565 4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.684 -4.996 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.463 -6.055 2.945 1.00 0.00 H new ATOM 696 N SER A 168 -2.773 -3.942 6.982 1.00 0.00 N ATOM 697 CA SER A 168 -2.850 -3.703 8.410 1.00 0.00 C ATOM 698 C SER A 168 -2.142 -2.397 8.771 1.00 0.00 C ATOM 699 O SER A 168 -2.674 -1.602 9.544 1.00 0.00 O ATOM 700 CB SER A 168 -2.310 -4.915 9.165 1.00 0.00 C ATOM 701 OG SER A 168 -0.939 -5.089 8.903 1.00 0.00 O ATOM 0 H SER A 168 -2.450 -4.882 6.752 1.00 0.00 H new ATOM 0 HA SER A 168 -3.889 -3.578 8.714 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.468 -4.784 10.236 1.00 0.00 H new ATOM 0 HB3 SER A 168 -2.859 -5.809 8.869 1.00 0.00 H new ATOM 0 HG SER A 168 -0.429 -4.375 9.340 1.00 0.00 H new ATOM 707 N HIS A 169 -0.946 -2.192 8.221 1.00 0.00 N ATOM 708 CA HIS A 169 -0.134 -1.013 8.470 1.00 0.00 C ATOM 709 C HIS A 169 0.414 -0.478 7.150 1.00 0.00 C ATOM 710 O HIS A 169 -0.046 -0.846 6.070 1.00 0.00 O ATOM 711 CB HIS A 169 1.003 -1.375 9.427 1.00 0.00 C ATOM 712 CG HIS A 169 1.850 -2.524 8.951 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.801 -3.816 9.417 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.814 -2.486 7.978 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.712 -4.535 8.739 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.370 -3.758 7.855 1.00 0.00 N ATOM 0 H HIS A 169 -0.511 -2.855 7.579 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.742 -0.233 8.929 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.639 -0.501 9.570 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.581 -1.625 10.401 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.183 -4.167 10.148 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.096 -1.616 7.403 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.892 -5.590 8.883 1.00 0.00 H new ATOM 724 N MET A 170 1.413 0.398 7.234 1.00 0.00 N ATOM 725 CA MET A 170 2.069 0.983 6.084 1.00 0.00 C ATOM 726 C MET A 170 3.561 0.711 6.198 1.00 0.00 C ATOM 727 O MET A 170 4.046 0.397 7.283 1.00 0.00 O ATOM 728 CB MET A 170 1.848 2.494 6.128 1.00 0.00 C ATOM 729 CG MET A 170 0.384 2.903 6.000 1.00 0.00 C ATOM 730 SD MET A 170 -0.117 3.351 4.318 1.00 0.00 S ATOM 731 CE MET A 170 -0.099 1.723 3.533 1.00 0.00 C ATOM 0 H MET A 170 1.791 0.722 8.124 1.00 0.00 H new ATOM 0 HA MET A 170 1.674 0.565 5.158 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.244 2.883 7.066 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.418 2.959 5.324 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.243 2.082 6.347 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.196 3.749 6.661 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.386 1.821 2.486 1.00 0.00 H new ATOM 0 HE2 MET A 170 0.903 1.300 3.596 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.804 1.066 4.042 1.00 0.00 H new ATOM 741 N VAL A 171 4.299 0.828 5.094 1.00 0.00 N ATOM 742 CA VAL A 171 5.749 0.755 5.150 1.00 0.00 C ATOM 743 C VAL A 171 6.272 1.834 6.086 1.00 0.00 C ATOM 744 O VAL A 171 7.384 1.739 6.605 1.00 0.00 O ATOM 745 CB VAL A 171 6.334 0.952 3.755 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.177 2.402 3.329 1.00 0.00 C ATOM 747 CG2 VAL A 171 7.816 0.628 3.736 1.00 0.00 C ATOM 0 H VAL A 171 3.916 0.972 4.160 1.00 0.00 H new ATOM 0 HA VAL A 171 6.047 -0.225 5.522 1.00 0.00 H new ATOM 0 HB VAL A 171 5.800 0.286 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.597 2.536 2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.119 2.665 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 171 6.702 3.047 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.208 0.777 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.341 1.284 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 171 7.965 -0.410 4.034 1.00 0.00 H new ATOM 757 N ALA A 172 5.442 2.858 6.294 1.00 0.00 N ATOM 758 CA ALA A 172 5.753 3.946 7.187 1.00 0.00 C ATOM 759 C ALA A 172 5.781 3.462 8.637 1.00 0.00 C ATOM 760 O ALA A 172 6.181 4.192 9.544 1.00 0.00 O ATOM 761 CB ALA A 172 4.693 5.022 7.014 1.00 0.00 C ATOM 0 H ALA A 172 4.533 2.945 5.839 1.00 0.00 H new ATOM 0 HA ALA A 172 6.739 4.347 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 172 4.909 5.856 7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.696 5.373 5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.713 4.609 7.254 1.00 0.00 H new ATOM 767 N SER A 173 5.347 2.221 8.835 1.00 0.00 N ATOM 768 CA SER A 173 5.187 1.594 10.132 1.00 0.00 C ATOM 769 C SER A 173 5.533 0.113 10.081 1.00 0.00 C ATOM 770 O SER A 173 5.281 -0.605 11.048 1.00 0.00 O ATOM 771 CB SER A 173 3.730 1.741 10.546 1.00 0.00 C ATOM 772 OG SER A 173 3.566 1.542 11.932 1.00 0.00 O ATOM 0 H SER A 173 5.089 1.606 8.064 1.00 0.00 H new ATOM 0 HA SER A 173 5.858 2.075 10.843 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.372 2.734 10.275 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.121 1.022 9.999 1.00 0.00 H new ATOM 0 HG SER A 173 4.079 0.756 12.213 1.00 0.00 H new ATOM 778 N CYS A 174 6.099 -0.369 8.969 1.00 0.00 N ATOM 779 CA CYS A 174 6.334 -1.802 8.820 1.00 0.00 C ATOM 780 C CYS A 174 7.132 -2.340 10.013 1.00 0.00 C ATOM 781 O CYS A 174 8.140 -1.748 10.403 1.00 0.00 O ATOM 782 CB CYS A 174 7.032 -2.126 7.498 1.00 0.00 C ATOM 783 SG CYS A 174 6.817 -3.890 7.132 1.00 0.00 S ATOM 0 H CYS A 174 6.396 0.201 8.177 1.00 0.00 H new ATOM 0 HA CYS A 174 5.364 -2.300 8.801 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.614 -1.521 6.694 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.092 -1.882 7.562 1.00 0.00 H new ATOM 788 N PRO A 175 6.696 -3.462 10.603 1.00 0.00 N ATOM 789 CA PRO A 175 7.388 -4.107 11.702 1.00 0.00 C ATOM 790 C PRO A 175 8.637 -4.833 11.206 1.00 0.00 C ATOM 791 O PRO A 175 9.476 -5.213 12.016 1.00 0.00 O ATOM 792 CB PRO A 175 6.377 -5.109 12.254 1.00 0.00 C ATOM 793 CG PRO A 175 5.574 -5.502 11.021 1.00 0.00 C ATOM 794 CD PRO A 175 5.488 -4.190 10.257 1.00 0.00 C ATOM 0 HA PRO A 175 7.723 -3.392 12.453 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.869 -5.970 12.707 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.745 -4.663 13.022 1.00 0.00 H new ATOM 0 HG2 PRO A 175 6.073 -6.278 10.441 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.588 -5.885 11.283 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.428 -4.364 9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.597 -3.629 10.539 1.00 0.00 H new ATOM 802 N LEU A 176 8.764 -5.027 9.887 1.00 0.00 N ATOM 803 CA LEU A 176 9.902 -5.725 9.316 1.00 0.00 C ATOM 804 C LEU A 176 11.058 -4.762 9.085 1.00 0.00 C ATOM 805 O LEU A 176 12.182 -5.039 9.495 1.00 0.00 O ATOM 806 CB LEU A 176 9.510 -6.322 7.970 1.00 0.00 C ATOM 807 CG LEU A 176 8.266 -7.200 8.076 1.00 0.00 C ATOM 808 CD1 LEU A 176 8.032 -7.832 6.710 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.472 -8.293 9.115 1.00 0.00 C ATOM 0 H LEU A 176 8.083 -4.705 9.199 1.00 0.00 H new ATOM 0 HA LEU A 176 10.207 -6.507 10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.327 -5.519 7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.339 -6.913 7.580 1.00 0.00 H new ATOM 0 HG LEU A 176 7.409 -6.600 8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.148 -8.468 6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.882 -7.048 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.899 -8.433 6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.575 -8.909 9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.320 -8.914 8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.669 -7.839 10.086 1.00 0.00 H new ATOM 821 N LYS A 177 10.788 -3.632 8.428 1.00 0.00 N ATOM 822 CA LYS A 177 11.843 -2.694 8.075 1.00 0.00 C ATOM 823 C LYS A 177 12.621 -2.248 9.302 1.00 0.00 C ATOM 824 O LYS A 177 13.725 -1.730 9.165 1.00 0.00 O ATOM 825 CB LYS A 177 11.262 -1.497 7.337 1.00 0.00 C ATOM 826 CG LYS A 177 10.555 -0.573 8.316 1.00 0.00 C ATOM 827 CD LYS A 177 10.084 0.694 7.601 1.00 0.00 C ATOM 828 CE LYS A 177 11.270 1.582 7.225 1.00 0.00 C ATOM 829 NZ LYS A 177 10.809 2.833 6.601 1.00 0.00 N ATOM 0 H LYS A 177 9.853 -3.350 8.134 1.00 0.00 H new ATOM 0 HA LYS A 177 12.541 -3.205 7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.057 -0.956 6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.561 -1.835 6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.703 -1.086 8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.229 -0.310 9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.528 0.424 6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.401 1.247 8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 177 11.857 1.809 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.927 1.048 6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 11.630 3.421 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 10.269 2.613 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 10.201 3.350 7.268 1.00 0.00 H new ATOM 843 N ALA A 178 12.041 -2.453 10.486 1.00 0.00 N ATOM 844 CA ALA A 178 12.635 -2.054 11.740 1.00 0.00 C ATOM 845 C ALA A 178 14.000 -2.694 11.962 1.00 0.00 C ATOM 846 O ALA A 178 14.777 -2.223 12.791 1.00 0.00 O ATOM 847 CB ALA A 178 11.678 -2.457 12.860 1.00 0.00 C ATOM 0 H ALA A 178 11.134 -2.908 10.590 1.00 0.00 H new ATOM 0 HA ALA A 178 12.795 -0.976 11.728 1.00 0.00 H new ATOM 0 HB1 ALA A 178 12.101 -2.168 13.822 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.721 -1.955 12.719 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.528 -3.536 12.840 1.00 0.00 H new ATOM 853 N GLN A 179 14.295 -3.764 11.218 1.00 0.00 N ATOM 854 CA GLN A 179 15.580 -4.440 11.282 1.00 0.00 C ATOM 855 C GLN A 179 15.998 -4.925 9.896 1.00 0.00 C ATOM 856 O GLN A 179 16.854 -5.803 9.771 1.00 0.00 O ATOM 857 CB GLN A 179 15.510 -5.581 12.305 1.00 0.00 C ATOM 858 CG GLN A 179 14.377 -6.562 11.996 1.00 0.00 C ATOM 859 CD GLN A 179 13.029 -6.123 12.568 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.955 -5.460 13.598 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.950 -6.494 11.892 1.00 0.00 N ATOM 0 H GLN A 179 13.643 -4.182 10.554 1.00 0.00 H new ATOM 0 HA GLN A 179 16.348 -3.742 11.616 1.00 0.00 H new ATOM 0 HB2 GLN A 179 16.459 -6.116 12.316 1.00 0.00 H new ATOM 0 HB3 GLN A 179 15.367 -5.165 13.302 1.00 0.00 H new ATOM 0 HG2 GLN A 179 14.287 -6.675 10.916 1.00 0.00 H new ATOM 0 HG3 GLN A 179 14.634 -7.542 12.398 1.00 0.00 H new ATOM 0 HE21 GLN A 179 12.047 -7.045 11.039 1.00 0.00 H new ATOM 0 HE22 GLN A 179 11.023 -6.228 12.225 1.00 0.00 H new ATOM 870 N GLN A 180 15.399 -4.352 8.847 1.00 0.00 N ATOM 871 CA GLN A 180 15.712 -4.718 7.466 1.00 0.00 C ATOM 872 C GLN A 180 16.143 -3.497 6.659 1.00 0.00 C ATOM 873 O GLN A 180 16.892 -3.629 5.695 1.00 0.00 O ATOM 874 CB GLN A 180 14.470 -5.293 6.792 1.00 0.00 C ATOM 875 CG GLN A 180 13.813 -6.424 7.573 1.00 0.00 C ATOM 876 CD GLN A 180 14.420 -7.774 7.217 1.00 0.00 C ATOM 877 OE1 GLN A 180 15.293 -8.278 7.916 1.00 0.00 O ATOM 878 NE2 GLN A 180 13.961 -8.366 6.117 1.00 0.00 N ATOM 0 H GLN A 180 14.688 -3.626 8.932 1.00 0.00 H new ATOM 0 HA GLN A 180 16.521 -5.448 7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.743 -4.493 6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.742 -5.658 5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.927 -6.243 8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.743 -6.438 7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 180 13.234 -7.916 5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 180 14.336 -9.270 5.830 1.00 0.00 H new ATOM 887 N GLY A 181 15.667 -2.313 7.051 1.00 0.00 N ATOM 888 CA GLY A 181 15.961 -1.080 6.345 1.00 0.00 C ATOM 889 C GLY A 181 15.206 0.100 6.953 1.00 0.00 C ATOM 890 O GLY A 181 14.380 0.711 6.272 1.00 0.00 O ATOM 0 H GLY A 181 15.068 -2.190 7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 181 17.033 -0.885 6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.690 -1.186 5.295 1.00 0.00 H new ATOM 894 N PRO A 182 15.463 0.438 8.224 1.00 0.00 N ATOM 895 CA PRO A 182 14.807 1.544 8.901 1.00 0.00 C ATOM 896 C PRO A 182 15.312 2.882 8.361 1.00 0.00 C ATOM 897 O PRO A 182 14.780 3.928 8.717 1.00 0.00 O ATOM 898 CB PRO A 182 15.161 1.366 10.372 1.00 0.00 C ATOM 899 CG PRO A 182 16.535 0.693 10.319 1.00 0.00 C ATOM 900 CD PRO A 182 16.415 -0.220 9.100 1.00 0.00 C ATOM 0 HA PRO A 182 13.728 1.547 8.745 1.00 0.00 H new ATOM 0 HB2 PRO A 182 15.200 2.321 10.896 1.00 0.00 H new ATOM 0 HB3 PRO A 182 14.429 0.747 10.891 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.338 1.421 10.202 1.00 0.00 H new ATOM 0 HG3 PRO A 182 16.745 0.129 11.228 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.379 -0.349 8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.067 -1.213 9.384 1.00 0.00 H new ATOM 908 N SER A 183 16.334 2.847 7.507 1.00 0.00 N ATOM 909 CA SER A 183 16.916 4.010 6.860 1.00 0.00 C ATOM 910 C SER A 183 17.698 3.548 5.629 1.00 0.00 C ATOM 911 O SER A 183 17.692 2.363 5.291 1.00 0.00 O ATOM 912 CB SER A 183 17.840 4.734 7.839 1.00 0.00 C ATOM 913 OG SER A 183 17.091 5.332 8.875 1.00 0.00 O ATOM 0 H SER A 183 16.792 1.975 7.241 1.00 0.00 H new ATOM 0 HA SER A 183 16.131 4.700 6.551 1.00 0.00 H new ATOM 0 HB2 SER A 183 18.557 4.029 8.261 1.00 0.00 H new ATOM 0 HB3 SER A 183 18.414 5.495 7.311 1.00 0.00 H new ATOM 0 HG SER A 183 16.166 5.012 8.836 1.00 0.00 H new ATOM 919 N ALA A 184 18.372 4.487 4.955 1.00 0.00 N ATOM 920 CA ALA A 184 19.195 4.198 3.792 1.00 0.00 C ATOM 921 C ALA A 184 20.386 5.151 3.735 1.00 0.00 C ATOM 922 O ALA A 184 21.007 5.300 2.683 1.00 0.00 O ATOM 923 CB ALA A 184 18.344 4.318 2.532 1.00 0.00 C ATOM 0 H ALA A 184 18.356 5.475 5.210 1.00 0.00 H new ATOM 0 HA ALA A 184 19.582 3.182 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 184 18.957 4.102 1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 184 17.519 3.608 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 184 17.947 5.330 2.456 1.00 0.00 H new ATOM 929 N GLN A 185 20.712 5.801 4.860 1.00 0.00 N ATOM 930 CA GLN A 185 21.777 6.792 4.955 1.00 0.00 C ATOM 931 C GLN A 185 21.574 7.921 3.941 1.00 0.00 C ATOM 932 O GLN A 185 22.516 8.630 3.596 1.00 0.00 O ATOM 933 CB GLN A 185 23.130 6.085 4.850 1.00 0.00 C ATOM 934 CG GLN A 185 24.259 6.941 5.427 1.00 0.00 C ATOM 935 CD GLN A 185 25.563 6.155 5.505 1.00 0.00 C ATOM 936 OE1 GLN A 185 25.961 5.484 4.554 1.00 0.00 O ATOM 937 NE2 GLN A 185 26.250 6.236 6.639 1.00 0.00 N ATOM 0 H GLN A 185 20.229 5.645 5.745 1.00 0.00 H new ATOM 0 HA GLN A 185 21.751 7.286 5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 185 23.086 5.134 5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 185 23.342 5.858 3.805 1.00 0.00 H new ATOM 0 HG2 GLN A 185 24.401 7.826 4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 185 23.982 7.290 6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 185 25.895 6.800 7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 185 27.132 5.734 6.738 1.00 0.00 H new ATOM 946 N GLY A 186 20.339 8.087 3.457 1.00 0.00 N ATOM 947 CA GLY A 186 19.995 9.112 2.485 1.00 0.00 C ATOM 948 C GLY A 186 18.568 8.920 1.995 1.00 0.00 C ATOM 949 O GLY A 186 17.659 8.890 2.852 1.00 0.00 O ATOM 950 OXT GLY A 186 18.397 8.807 0.765 1.00 0.00 O ATOM 0 H GLY A 186 19.549 7.506 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 186 20.102 10.099 2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 186 20.685 9.069 1.642 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 11.047 7.743 4.319 1.00 0.00 O ATOM 956 C5' A B 1 9.845 7.146 4.758 1.00 0.00 C ATOM 957 C4' A B 1 8.702 7.492 3.800 1.00 0.00 C ATOM 958 O4' A B 1 8.876 6.795 2.574 1.00 0.00 O ATOM 959 C3' A B 1 7.371 7.041 4.390 1.00 0.00 C ATOM 960 O3' A B 1 6.361 7.885 3.869 1.00 0.00 O ATOM 961 C2' A B 1 7.243 5.660 3.769 1.00 0.00 C ATOM 962 O2' A B 1 5.902 5.251 3.811 1.00 0.00 O ATOM 963 C1' A B 1 7.724 6.003 2.372 1.00 0.00 C ATOM 964 N9 A B 1 7.945 4.828 1.504 1.00 0.00 N ATOM 965 C8 A B 1 7.272 4.533 0.350 1.00 0.00 C ATOM 966 N7 A B 1 7.653 3.420 -0.221 1.00 0.00 N ATOM 967 C5 A B 1 8.638 2.935 0.641 1.00 0.00 C ATOM 968 C6 A B 1 9.437 1.776 0.619 1.00 0.00 C ATOM 969 N6 A B 1 9.382 0.850 -0.341 1.00 0.00 N ATOM 970 N1 A B 1 10.299 1.578 1.621 1.00 0.00 N ATOM 971 C2 A B 1 10.365 2.470 2.594 1.00 0.00 C ATOM 972 N3 A B 1 9.680 3.600 2.738 1.00 0.00 N ATOM 973 C4 A B 1 8.820 3.781 1.702 1.00 0.00 C ATOM 0 H5' A B 1 9.604 7.492 5.763 1.00 0.00 H new ATOM 0 H5'' A B 1 9.967 6.064 4.814 1.00 0.00 H new ATOM 0 H4' A B 1 8.707 8.570 3.640 1.00 0.00 H new ATOM 0 H3' A B 1 7.300 7.057 5.478 1.00 0.00 H new ATOM 0 H2' A B 1 7.783 4.838 4.239 1.00 0.00 H new ATOM 0 HO2' A B 1 5.332 5.960 3.447 1.00 0.00 H new ATOM 0 HO5' A B 1 11.771 7.516 4.940 1.00 0.00 H new ATOM 0 H1' A B 1 6.962 6.545 1.812 1.00 0.00 H new ATOM 0 H8 A B 1 6.494 5.164 -0.054 1.00 0.00 H new ATOM 0 H61 A B 1 9.990 0.032 -0.296 1.00 0.00 H new ATOM 0 H62 A B 1 8.732 0.960 -1.119 1.00 0.00 H new ATOM 0 H2 A B 1 11.073 2.251 3.380 1.00 0.00 H new ATOM 986 P G B 2 5.444 8.793 4.810 1.00 0.00 P ATOM 987 OP1 G B 2 5.851 10.205 4.619 1.00 0.00 O ATOM 988 OP2 G B 2 5.414 8.212 6.169 1.00 0.00 O ATOM 989 O5' G B 2 3.993 8.582 4.156 1.00 0.00 O ATOM 990 C5' G B 2 3.560 9.370 3.062 1.00 0.00 C ATOM 991 C4' G B 2 2.189 8.903 2.574 1.00 0.00 C ATOM 992 O4' G B 2 2.308 7.820 1.666 1.00 0.00 O ATOM 993 C3' G B 2 1.260 8.470 3.717 1.00 0.00 C ATOM 994 O3' G B 2 0.390 9.469 4.243 1.00 0.00 O ATOM 995 C2' G B 2 0.473 7.310 3.104 1.00 0.00 C ATOM 996 O2' G B 2 -0.736 7.743 2.515 1.00 0.00 O ATOM 997 C1' G B 2 1.382 6.799 1.993 1.00 0.00 C ATOM 998 N9 G B 2 2.125 5.585 2.384 1.00 0.00 N ATOM 999 C8 G B 2 3.085 5.399 3.356 1.00 0.00 C ATOM 1000 N7 G B 2 3.456 4.160 3.472 1.00 0.00 N ATOM 1001 C5 G B 2 2.767 3.490 2.470 1.00 0.00 C ATOM 1002 C6 G B 2 2.849 2.129 2.067 1.00 0.00 C ATOM 1003 O6 G B 2 3.516 1.226 2.553 1.00 0.00 O ATOM 1004 N1 G B 2 2.051 1.858 0.979 1.00 0.00 N ATOM 1005 C2 G B 2 1.253 2.780 0.348 1.00 0.00 C ATOM 1006 N2 G B 2 0.558 2.355 -0.701 1.00 0.00 N ATOM 1007 N3 G B 2 1.156 4.061 0.727 1.00 0.00 N ATOM 1008 C4 G B 2 1.954 4.354 1.788 1.00 0.00 C ATOM 0 H5' G B 2 4.284 9.303 2.250 1.00 0.00 H new ATOM 0 H5'' G B 2 3.509 10.418 3.359 1.00 0.00 H new ATOM 0 H4' G B 2 1.749 9.769 2.079 1.00 0.00 H new ATOM 0 H3' G B 2 1.850 8.215 4.598 1.00 0.00 H new ATOM 0 H2' G B 2 0.214 6.570 3.861 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.565 8.533 1.961 1.00 0.00 H new ATOM 0 H1' G B 2 0.756 6.538 1.140 1.00 0.00 H new ATOM 0 H8 G B 2 3.487 6.200 3.958 1.00 0.00 H new ATOM 0 H1 G B 2 2.053 0.905 0.616 1.00 0.00 H new ATOM 0 H21 G B 2 -0.050 3.000 -1.205 1.00 0.00 H new ATOM 0 H22 G B 2 0.632 1.383 -1.002 1.00 0.00 H new ATOM 1020 P G B 3 -0.024 10.813 3.446 1.00 0.00 P ATOM 1021 OP1 G B 3 1.181 11.656 3.274 1.00 0.00 O ATOM 1022 OP2 G B 3 -1.211 11.386 4.114 1.00 0.00 O ATOM 1023 O5' G B 3 -0.475 10.263 2.007 1.00 0.00 O ATOM 1024 C5' G B 3 -1.403 10.953 1.206 1.00 0.00 C ATOM 1025 C4' G B 3 -1.525 10.223 -0.127 1.00 0.00 C ATOM 1026 O4' G B 3 -2.182 8.983 0.096 1.00 0.00 O ATOM 1027 C3' G B 3 -2.379 11.020 -1.115 1.00 0.00 C ATOM 1028 O3' G B 3 -1.835 10.939 -2.417 1.00 0.00 O ATOM 1029 C2' G B 3 -3.718 10.303 -1.049 1.00 0.00 C ATOM 1030 O2' G B 3 -4.464 10.445 -2.238 1.00 0.00 O ATOM 1031 C1' G B 3 -3.260 8.876 -0.812 1.00 0.00 C ATOM 1032 N9 G B 3 -4.360 8.052 -0.276 1.00 0.00 N ATOM 1033 C8 G B 3 -4.897 6.916 -0.824 1.00 0.00 C ATOM 1034 N7 G B 3 -5.904 6.427 -0.150 1.00 0.00 N ATOM 1035 C5 G B 3 -6.044 7.300 0.926 1.00 0.00 C ATOM 1036 C6 G B 3 -6.987 7.298 1.999 1.00 0.00 C ATOM 1037 O6 G B 3 -7.909 6.510 2.212 1.00 0.00 O ATOM 1038 N1 G B 3 -6.782 8.351 2.872 1.00 0.00 N ATOM 1039 C2 G B 3 -5.804 9.304 2.735 1.00 0.00 C ATOM 1040 N2 G B 3 -5.750 10.255 3.659 1.00 0.00 N ATOM 1041 N3 G B 3 -4.916 9.320 1.737 1.00 0.00 N ATOM 1042 C4 G B 3 -5.090 8.294 0.868 1.00 0.00 C ATOM 0 H5' G B 3 -1.076 11.981 1.047 1.00 0.00 H new ATOM 0 H5'' G B 3 -2.372 11.000 1.703 1.00 0.00 H new ATOM 0 H4' G B 3 -0.524 10.088 -0.537 1.00 0.00 H new ATOM 0 H3' G B 3 -2.442 12.083 -0.880 1.00 0.00 H new ATOM 0 H2' G B 3 -4.399 10.686 -0.289 1.00 0.00 H new ATOM 0 HO2' G B 3 -3.868 10.354 -3.011 1.00 0.00 H new ATOM 0 H1' G B 3 -2.951 8.380 -1.732 1.00 0.00 H new ATOM 0 H8 G B 3 -4.522 6.466 -1.731 1.00 0.00 H new ATOM 0 H1 G B 3 -7.404 8.425 3.677 1.00 0.00 H new ATOM 0 H21 G B 3 -5.040 10.985 3.599 1.00 0.00 H new ATOM 0 H22 G B 3 -6.419 10.256 4.429 1.00 0.00 H new ATOM 1054 P A B 4 -0.709 11.978 -2.888 1.00 0.00 P ATOM 1055 OP1 A B 4 0.618 11.447 -2.505 1.00 0.00 O ATOM 1056 OP2 A B 4 -1.123 13.318 -2.415 1.00 0.00 O ATOM 1057 O5' A B 4 -0.840 11.979 -4.489 1.00 0.00 O ATOM 1058 C5' A B 4 -0.092 11.079 -5.287 1.00 0.00 C ATOM 1059 C4' A B 4 -0.260 11.362 -6.785 1.00 0.00 C ATOM 1060 O4' A B 4 -1.240 10.499 -7.333 1.00 0.00 O ATOM 1061 C3' A B 4 -0.734 12.794 -7.062 1.00 0.00 C ATOM 1062 O3' A B 4 -0.335 13.208 -8.354 1.00 0.00 O ATOM 1063 C2' A B 4 -2.246 12.627 -6.987 1.00 0.00 C ATOM 1064 O2' A B 4 -2.936 13.567 -7.789 1.00 0.00 O ATOM 1065 C1' A B 4 -2.455 11.208 -7.493 1.00 0.00 C ATOM 1066 N9 A B 4 -3.538 10.537 -6.753 1.00 0.00 N ATOM 1067 C8 A B 4 -3.645 10.342 -5.404 1.00 0.00 C ATOM 1068 N7 A B 4 -4.723 9.696 -5.052 1.00 0.00 N ATOM 1069 C5 A B 4 -5.381 9.458 -6.255 1.00 0.00 C ATOM 1070 C6 A B 4 -6.591 8.823 -6.581 1.00 0.00 C ATOM 1071 N6 A B 4 -7.391 8.276 -5.669 1.00 0.00 N ATOM 1072 N1 A B 4 -6.956 8.770 -7.870 1.00 0.00 N ATOM 1073 C2 A B 4 -6.166 9.327 -8.777 1.00 0.00 C ATOM 1074 N3 A B 4 -5.011 9.951 -8.610 1.00 0.00 N ATOM 1075 C4 A B 4 -4.669 9.978 -7.296 1.00 0.00 C ATOM 0 H5' A B 4 -0.407 10.058 -5.074 1.00 0.00 H new ATOM 0 H5'' A B 4 0.963 11.149 -5.021 1.00 0.00 H new ATOM 0 H4' A B 4 0.721 11.208 -7.235 1.00 0.00 H new ATOM 0 H3' A B 4 -0.333 13.543 -6.379 1.00 0.00 H new ATOM 0 H2' A B 4 -2.635 12.795 -5.983 1.00 0.00 H new ATOM 0 HO2' A B 4 -3.901 13.419 -7.709 1.00 0.00 H new ATOM 0 H1' A B 4 -2.744 11.234 -8.544 1.00 0.00 H new ATOM 0 H8 A B 4 -2.907 10.690 -4.696 1.00 0.00 H new ATOM 0 H61 A B 4 -8.260 7.826 -5.957 1.00 0.00 H new ATOM 0 H62 A B 4 -7.135 8.307 -4.682 1.00 0.00 H new ATOM 0 H2 A B 4 -6.514 9.262 -9.797 1.00 0.00 H new ATOM 1087 P G B 5 -0.333 14.763 -8.763 1.00 0.00 P ATOM 1088 OP1 G B 5 -1.042 15.531 -7.715 1.00 0.00 O ATOM 1089 OP2 G B 5 -0.774 14.859 -10.175 1.00 0.00 O ATOM 1090 O5' G B 5 1.221 15.146 -8.702 1.00 0.00 O ATOM 1091 C5' G B 5 2.044 14.960 -9.832 1.00 0.00 C ATOM 1092 C4' G B 5 3.369 14.320 -9.416 1.00 0.00 C ATOM 1093 O4' G B 5 3.096 13.064 -8.825 1.00 0.00 O ATOM 1094 C3' G B 5 4.244 14.051 -10.635 1.00 0.00 C ATOM 1095 O3' G B 5 5.578 13.839 -10.218 1.00 0.00 O ATOM 1096 C2' G B 5 3.610 12.755 -11.121 1.00 0.00 C ATOM 1097 O2' G B 5 4.484 12.035 -11.962 1.00 0.00 O ATOM 1098 C1' G B 5 3.348 12.064 -9.791 1.00 0.00 C ATOM 1099 N9 G B 5 2.204 11.129 -9.832 1.00 0.00 N ATOM 1100 C8 G B 5 0.914 11.364 -10.230 1.00 0.00 C ATOM 1101 N7 G B 5 0.115 10.347 -10.059 1.00 0.00 N ATOM 1102 C5 G B 5 0.946 9.363 -9.526 1.00 0.00 C ATOM 1103 C6 G B 5 0.642 8.036 -9.099 1.00 0.00 C ATOM 1104 O6 G B 5 -0.443 7.457 -9.067 1.00 0.00 O ATOM 1105 N1 G B 5 1.777 7.367 -8.673 1.00 0.00 N ATOM 1106 C2 G B 5 3.044 7.887 -8.686 1.00 0.00 C ATOM 1107 N2 G B 5 4.023 7.065 -8.325 1.00 0.00 N ATOM 1108 N3 G B 5 3.335 9.140 -9.031 1.00 0.00 N ATOM 1109 C4 G B 5 2.237 9.819 -9.446 1.00 0.00 C ATOM 0 H5' G B 5 2.230 15.918 -10.318 1.00 0.00 H new ATOM 0 H5'' G B 5 1.538 14.326 -10.560 1.00 0.00 H new ATOM 0 H4' G B 5 3.878 14.997 -8.730 1.00 0.00 H new ATOM 0 H3' G B 5 4.289 14.844 -11.381 1.00 0.00 H new ATOM 0 H2' G B 5 2.719 12.872 -11.737 1.00 0.00 H new ATOM 0 HO2' G B 5 5.411 12.261 -11.740 1.00 0.00 H new ATOM 0 H1' G B 5 4.227 11.468 -9.545 1.00 0.00 H new ATOM 0 H8 G B 5 0.588 12.305 -10.647 1.00 0.00 H new ATOM 0 H1 G B 5 1.661 6.416 -8.323 1.00 0.00 H new ATOM 0 H21 G B 5 4.988 7.395 -8.315 1.00 0.00 H new ATOM 0 H22 G B 5 3.810 6.104 -8.058 1.00 0.00 H new ATOM 1121 P A B 6 6.546 15.074 -9.874 1.00 0.00 P ATOM 1122 OP1 A B 6 7.676 14.560 -9.071 1.00 0.00 O ATOM 1123 OP2 A B 6 5.718 16.182 -9.344 1.00 0.00 O ATOM 1124 O5' A B 6 7.089 15.498 -11.328 1.00 0.00 O ATOM 1125 C5' A B 6 8.125 14.763 -11.954 1.00 0.00 C ATOM 1126 C4' A B 6 9.490 15.210 -11.421 1.00 0.00 C ATOM 1127 O4' A B 6 10.422 14.149 -11.553 1.00 0.00 O ATOM 1128 C3' A B 6 10.018 16.396 -12.229 1.00 0.00 C ATOM 1129 O3' A B 6 10.814 17.198 -11.369 1.00 0.00 O ATOM 1130 C2' A B 6 10.824 15.656 -13.296 1.00 0.00 C ATOM 1131 O2' A B 6 11.802 16.444 -13.936 1.00 0.00 O ATOM 1132 C1' A B 6 11.442 14.570 -12.436 1.00 0.00 C ATOM 1133 N9 A B 6 11.969 13.447 -13.240 1.00 0.00 N ATOM 1134 C8 A B 6 11.400 12.820 -14.320 1.00 0.00 C ATOM 1135 N7 A B 6 12.117 11.841 -14.802 1.00 0.00 N ATOM 1136 C5 A B 6 13.252 11.838 -13.993 1.00 0.00 C ATOM 1137 C6 A B 6 14.417 11.051 -13.970 1.00 0.00 C ATOM 1138 N6 A B 6 14.641 10.048 -14.818 1.00 0.00 N ATOM 1139 N1 A B 6 15.358 11.319 -13.054 1.00 0.00 N ATOM 1140 C2 A B 6 15.148 12.313 -12.204 1.00 0.00 C ATOM 1141 N3 A B 6 14.105 13.119 -12.104 1.00 0.00 N ATOM 1142 C4 A B 6 13.175 12.822 -13.047 1.00 0.00 C ATOM 0 H5' A B 6 8.083 14.909 -13.033 1.00 0.00 H new ATOM 0 H5'' A B 6 7.986 13.698 -11.771 1.00 0.00 H new ATOM 0 H4' A B 6 9.370 15.495 -10.376 1.00 0.00 H new ATOM 0 H3' A B 6 9.286 17.081 -12.658 1.00 0.00 H new ATOM 0 H2' A B 6 10.226 15.315 -14.141 1.00 0.00 H new ATOM 0 HO2' A B 6 11.464 17.357 -14.049 1.00 0.00 H new ATOM 0 H1' A B 6 12.306 14.952 -11.892 1.00 0.00 H new ATOM 0 H8 A B 6 10.446 13.110 -14.734 1.00 0.00 H new ATOM 0 H61 A B 6 15.505 9.510 -14.755 1.00 0.00 H new ATOM 0 H62 A B 6 13.948 9.818 -15.530 1.00 0.00 H new ATOM 0 H2 A B 6 15.941 12.490 -11.492 1.00 0.00 H new ATOM 1154 P U B 7 11.299 18.672 -11.781 1.00 0.00 P ATOM 1155 OP1 U B 7 10.624 19.638 -10.889 1.00 0.00 O ATOM 1156 OP2 U B 7 11.185 18.833 -13.247 1.00 0.00 O ATOM 1157 O5' U B 7 12.857 18.637 -11.407 1.00 0.00 O ATOM 1158 C5' U B 7 13.736 17.790 -12.113 1.00 0.00 C ATOM 1159 C4' U B 7 15.158 17.929 -11.570 1.00 0.00 C ATOM 1160 O4' U B 7 15.899 16.763 -11.890 1.00 0.00 O ATOM 1161 C3' U B 7 15.871 19.093 -12.245 1.00 0.00 C ATOM 1162 O3' U B 7 16.976 19.484 -11.455 1.00 0.00 O ATOM 1163 C2' U B 7 16.322 18.431 -13.546 1.00 0.00 C ATOM 1164 O2' U B 7 17.454 19.076 -14.096 1.00 0.00 O ATOM 1165 C1' U B 7 16.633 17.006 -13.083 1.00 0.00 C ATOM 1166 N1 U B 7 16.319 16.001 -14.125 1.00 0.00 N ATOM 1167 C2 U B 7 17.381 15.469 -14.843 1.00 0.00 C ATOM 1168 O2 U B 7 18.545 15.820 -14.659 1.00 0.00 O ATOM 1169 N3 U B 7 17.068 14.512 -15.792 1.00 0.00 N ATOM 1170 C4 U B 7 15.803 14.039 -16.084 1.00 0.00 C ATOM 1171 O4 U B 7 15.646 13.166 -16.934 1.00 0.00 O ATOM 1172 C5 U B 7 14.754 14.657 -15.311 1.00 0.00 C ATOM 1173 C6 U B 7 15.034 15.596 -14.377 1.00 0.00 C ATOM 0 H5' U B 7 13.719 18.040 -13.174 1.00 0.00 H new ATOM 0 H5'' U B 7 13.405 16.755 -12.024 1.00 0.00 H new ATOM 0 H4' U B 7 15.094 18.085 -10.493 1.00 0.00 H new ATOM 0 H3' U B 7 15.276 19.994 -12.392 1.00 0.00 H new ATOM 0 H2' U B 7 15.582 18.475 -14.345 1.00 0.00 H new ATOM 0 HO2' U B 7 17.716 18.626 -14.926 1.00 0.00 H new ATOM 0 HO3' U B 7 17.782 19.515 -12.012 1.00 0.00 H new ATOM 0 H1' U B 7 17.702 16.912 -12.892 1.00 0.00 H new ATOM 0 H3 U B 7 17.843 14.119 -16.326 1.00 0.00 H new ATOM 0 H5 U B 7 13.728 14.366 -15.480 1.00 0.00 H new ATOM 0 H6 U B 7 14.224 16.038 -13.816 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -2.973 1.381 -11.153 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.840 -3.914 6.317 1.00 0.00 ZN