USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=25 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 150 LYS NZ :NH3+ 172:sc= -0.235 (180deg=-0.241) USER MOD Set 1.2: B 4 A O2' : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 166:sc= -0.028 (180deg=-0.24) USER MOD Single : A 128 SER OG : rot 180:sc= 0.413 USER MOD Single : A 129 MET CE :methyl 164:sc= -0.0364 (180deg=-0.493) USER MOD Single : A 130 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -115:sc= 0.312 (180deg=-0.0806) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.816 K(o=-0.82,f=-4!) USER MOD Single : A 148 HIS : no HE2:sc= -0.193 K(o=-0.19,f=-0.8) USER MOD Single : A 153 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.101) USER MOD Single : A 157 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.043) USER MOD Single : A 159 LYS NZ :NH3+ -171:sc= 2.21 (180deg=2.02) 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=-1.6) USER MOD Single : A 165 GLN : amide:sc= -0.816 X(o=-0.82,f=-0.88) USER MOD Single : A 166 SER OG : rot 101:sc= 1.42 USER MOD Single : A 168 SER OG : rot 180:sc= -0.148 USER MOD Single : A 170 MET CE :methyl 177:sc= -3.46 (180deg=-3.52) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 170:sc= -0.19 (180deg=-0.425) USER MOD Single : A 179 GLN : amide:sc= -0.736 X(o=-0.74,f=-0.54) USER MOD Single : A 180 GLN : amide:sc=-0.00832 X(o=-0.0083,f=-0.17) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 185 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 1 A O2' : rot 46:sc= -1.15 USER MOD Single : B 1 A O5' : rot 180:sc= 0 USER MOD Single : B 2 G O2' : rot -62:sc= 1.29 USER MOD Single : B 3 G O2' : rot -42:sc= 1.11 USER MOD Single : B 5 G O2' : rot 27:sc= 0.144 USER MOD Single : B 6 A O2' : rot 180:sc= -0.147 USER MOD Single : B 7 U O2' : rot 180:sc= 0 USER MOD Single : B 7 U O3' : rot 137:sc= 0.172 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 8.694 -14.197 0.823 1.00 0.00 N ATOM 2 CA PRO A 124 8.423 -12.767 1.047 1.00 0.00 C ATOM 3 C PRO A 124 8.661 -11.938 -0.210 1.00 0.00 C ATOM 4 O PRO A 124 9.401 -12.363 -1.095 1.00 0.00 O ATOM 5 CB PRO A 124 9.302 -12.315 2.215 1.00 0.00 C ATOM 6 CG PRO A 124 9.845 -13.610 2.829 1.00 0.00 C ATOM 7 CD PRO A 124 8.981 -14.685 2.179 1.00 0.00 C ATOM 0 HA PRO A 124 7.372 -12.615 1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 124 10.112 -11.671 1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 124 8.727 -11.744 2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 124 10.902 -13.751 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 124 9.747 -13.615 3.915 1.00 0.00 H new ATOM 0 HD2 PRO A 124 9.503 -15.642 2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.061 -14.841 2.742 1.00 0.00 H new ATOM 15 N LYS A 125 8.034 -10.761 -0.288 1.00 0.00 N ATOM 16 CA LYS A 125 8.154 -9.862 -1.434 1.00 0.00 C ATOM 17 C LYS A 125 8.106 -8.409 -0.973 1.00 0.00 C ATOM 18 O LYS A 125 7.932 -8.133 0.213 1.00 0.00 O ATOM 19 CB LYS A 125 7.014 -10.122 -2.418 1.00 0.00 C ATOM 20 CG LYS A 125 7.166 -11.492 -3.079 1.00 0.00 C ATOM 21 CD LYS A 125 6.079 -11.725 -4.126 1.00 0.00 C ATOM 22 CE LYS A 125 4.718 -11.799 -3.438 1.00 0.00 C ATOM 23 NZ LYS A 125 3.636 -11.987 -4.409 1.00 0.00 N ATOM 0 H LYS A 125 7.425 -10.405 0.449 1.00 0.00 H new ATOM 0 HA LYS A 125 9.109 -10.048 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 125 6.059 -10.070 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.003 -9.344 -3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 125 8.147 -11.565 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 125 7.116 -12.272 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.085 -10.917 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.275 -12.649 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 125 4.714 -12.622 -2.723 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.545 -10.884 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.725 -12.033 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 3.625 -11.189 -5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.789 -12.873 -4.932 1.00 0.00 H new ATOM 37 N GLY A 126 8.258 -7.477 -1.914 1.00 0.00 N ATOM 38 CA GLY A 126 8.206 -6.057 -1.614 1.00 0.00 C ATOM 39 C GLY A 126 8.399 -5.213 -2.867 1.00 0.00 C ATOM 40 O GLY A 126 8.524 -5.742 -3.975 1.00 0.00 O ATOM 0 H GLY A 126 8.419 -7.689 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.247 -5.816 -1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 126 8.978 -5.810 -0.885 1.00 0.00 H new ATOM 44 N LYS A 127 8.419 -3.893 -2.685 1.00 0.00 N ATOM 45 CA LYS A 127 8.613 -2.925 -3.751 1.00 0.00 C ATOM 46 C LYS A 127 9.496 -1.797 -3.225 1.00 0.00 C ATOM 47 O LYS A 127 9.857 -1.789 -2.049 1.00 0.00 O ATOM 48 CB LYS A 127 7.260 -2.397 -4.237 1.00 0.00 C ATOM 49 CG LYS A 127 6.360 -3.539 -4.714 1.00 0.00 C ATOM 50 CD LYS A 127 5.026 -3.019 -5.249 1.00 0.00 C ATOM 51 CE LYS A 127 5.168 -2.258 -6.568 1.00 0.00 C ATOM 52 NZ LYS A 127 5.654 -3.138 -7.647 1.00 0.00 N ATOM 0 H LYS A 127 8.297 -3.462 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 127 9.104 -3.393 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 127 6.767 -1.855 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 127 7.414 -1.688 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 127 6.870 -4.103 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.178 -4.228 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 127 4.346 -3.859 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 127 4.573 -2.364 -4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 127 4.205 -1.832 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 127 5.859 -1.425 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 5.517 -2.670 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.666 -3.334 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 5.123 -4.032 -7.632 1.00 0.00 H new ATOM 66 N SER A 128 9.843 -0.843 -4.083 1.00 0.00 N ATOM 67 CA SER A 128 10.788 0.207 -3.730 1.00 0.00 C ATOM 68 C SER A 128 10.365 1.536 -4.345 1.00 0.00 C ATOM 69 O SER A 128 9.230 1.683 -4.798 1.00 0.00 O ATOM 70 CB SER A 128 12.174 -0.223 -4.204 1.00 0.00 C ATOM 71 OG SER A 128 13.176 0.620 -3.675 1.00 0.00 O ATOM 0 H SER A 128 9.480 -0.777 -5.034 1.00 0.00 H new ATOM 0 HA SER A 128 10.809 0.355 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 128 12.363 -1.253 -3.900 1.00 0.00 H new ATOM 0 HB3 SER A 128 12.213 -0.200 -5.293 1.00 0.00 H new ATOM 0 HG SER A 128 14.054 0.323 -3.992 1.00 0.00 H new ATOM 77 N MET A 129 11.277 2.511 -4.354 1.00 0.00 N ATOM 78 CA MET A 129 11.003 3.860 -4.816 1.00 0.00 C ATOM 79 C MET A 129 12.039 4.300 -5.846 1.00 0.00 C ATOM 80 O MET A 129 12.955 3.547 -6.178 1.00 0.00 O ATOM 81 CB MET A 129 11.021 4.816 -3.619 1.00 0.00 C ATOM 82 CG MET A 129 12.436 4.898 -3.034 1.00 0.00 C ATOM 83 SD MET A 129 12.622 6.043 -1.644 1.00 0.00 S ATOM 84 CE MET A 129 11.616 5.188 -0.403 1.00 0.00 C ATOM 0 H MET A 129 12.237 2.377 -4.035 1.00 0.00 H new ATOM 0 HA MET A 129 10.021 3.879 -5.290 1.00 0.00 H new ATOM 0 HB2 MET A 129 10.689 5.807 -3.929 1.00 0.00 H new ATOM 0 HB3 MET A 129 10.323 4.470 -2.857 1.00 0.00 H new ATOM 0 HG2 MET A 129 12.737 3.902 -2.708 1.00 0.00 H new ATOM 0 HG3 MET A 129 13.124 5.196 -3.825 1.00 0.00 H new ATOM 0 HE1 MET A 129 11.840 5.588 0.586 1.00 0.00 H new ATOM 0 HE2 MET A 129 10.559 5.339 -0.624 1.00 0.00 H new ATOM 0 HE3 MET A 129 11.842 4.122 -0.423 1.00 0.00 H new ATOM 94 N GLN A 130 11.889 5.527 -6.346 1.00 0.00 N ATOM 95 CA GLN A 130 12.797 6.120 -7.314 1.00 0.00 C ATOM 96 C GLN A 130 13.058 7.577 -6.931 1.00 0.00 C ATOM 97 O GLN A 130 12.484 8.076 -5.960 1.00 0.00 O ATOM 98 CB GLN A 130 12.205 6.002 -8.723 1.00 0.00 C ATOM 99 CG GLN A 130 12.091 4.533 -9.138 1.00 0.00 C ATOM 100 CD GLN A 130 11.632 4.381 -10.578 1.00 0.00 C ATOM 101 OE1 GLN A 130 11.128 5.327 -11.178 1.00 0.00 O ATOM 102 NE2 GLN A 130 11.802 3.193 -11.147 1.00 0.00 N ATOM 0 H GLN A 130 11.119 6.142 -6.082 1.00 0.00 H new ATOM 0 HA GLN A 130 13.749 5.590 -7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 130 11.221 6.471 -8.750 1.00 0.00 H new ATOM 0 HB3 GLN A 130 12.834 6.539 -9.434 1.00 0.00 H new ATOM 0 HG2 GLN A 130 13.058 4.045 -9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 130 11.389 4.024 -8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 130 12.224 2.430 -10.618 1.00 0.00 H new ATOM 0 HE22 GLN A 130 11.510 3.044 -12.113 1.00 0.00 H new ATOM 111 N LYS A 131 13.920 8.273 -7.674 1.00 0.00 N ATOM 112 CA LYS A 131 14.262 9.658 -7.377 1.00 0.00 C ATOM 113 C LYS A 131 13.032 10.554 -7.459 1.00 0.00 C ATOM 114 O LYS A 131 12.078 10.255 -8.173 1.00 0.00 O ATOM 115 CB LYS A 131 15.360 10.134 -8.338 1.00 0.00 C ATOM 116 CG LYS A 131 16.650 9.313 -8.236 1.00 0.00 C ATOM 117 CD LYS A 131 17.584 9.779 -7.112 1.00 0.00 C ATOM 118 CE LYS A 131 16.945 9.705 -5.723 1.00 0.00 C ATOM 119 NZ LYS A 131 17.898 10.089 -4.674 1.00 0.00 N ATOM 0 H LYS A 131 14.396 7.893 -8.492 1.00 0.00 H new ATOM 0 HA LYS A 131 14.639 9.719 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 131 14.985 10.084 -9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 131 15.586 11.180 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 131 16.393 8.266 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 131 17.182 9.367 -9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 131 18.486 9.168 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 131 17.893 10.806 -7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 131 16.076 10.362 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 131 16.587 8.692 -5.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 17.435 10.028 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 18.716 9.447 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 18.220 11.064 -4.837 1.00 0.00 H new ATOM 133 N ARG A 132 13.055 11.665 -6.713 1.00 0.00 N ATOM 134 CA ARG A 132 11.934 12.592 -6.619 1.00 0.00 C ATOM 135 C ARG A 132 11.637 13.266 -7.951 1.00 0.00 C ATOM 136 O ARG A 132 10.510 13.686 -8.202 1.00 0.00 O ATOM 137 CB ARG A 132 12.242 13.591 -5.503 1.00 0.00 C ATOM 138 CG ARG A 132 11.091 14.557 -5.224 1.00 0.00 C ATOM 139 CD ARG A 132 11.200 15.837 -6.060 1.00 0.00 C ATOM 140 NE ARG A 132 10.064 16.725 -5.800 1.00 0.00 N ATOM 141 CZ ARG A 132 8.838 16.530 -6.287 1.00 0.00 C ATOM 142 NH1 ARG A 132 8.573 15.501 -7.085 1.00 0.00 N ATOM 143 NH2 ARG A 132 7.855 17.368 -5.978 1.00 0.00 N ATOM 0 H ARG A 132 13.862 11.943 -6.155 1.00 0.00 H new ATOM 0 HA ARG A 132 11.021 12.050 -6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 132 12.478 13.044 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 132 13.130 14.163 -5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 132 10.143 14.063 -5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 132 11.083 14.815 -4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 132 12.131 16.352 -5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 132 11.234 15.583 -7.119 1.00 0.00 H new ATOM 0 HE ARG A 132 10.220 17.542 -5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 132 9.313 14.845 -7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 132 7.629 15.367 -7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 132 8.037 18.164 -5.366 1.00 0.00 H new ATOM 0 HH22 ARG A 132 6.918 17.216 -6.352 1.00 0.00 H new ATOM 157 N ARG A 133 12.658 13.365 -8.801 1.00 0.00 N ATOM 158 CA ARG A 133 12.568 13.915 -10.150 1.00 0.00 C ATOM 159 C ARG A 133 12.060 12.885 -11.155 1.00 0.00 C ATOM 160 O ARG A 133 12.160 13.083 -12.362 1.00 0.00 O ATOM 161 CB ARG A 133 13.928 14.462 -10.578 1.00 0.00 C ATOM 162 CG ARG A 133 14.952 13.332 -10.702 1.00 0.00 C ATOM 163 CD ARG A 133 16.286 13.947 -11.092 1.00 0.00 C ATOM 164 NE ARG A 133 17.364 12.955 -11.034 1.00 0.00 N ATOM 165 CZ ARG A 133 17.603 12.017 -11.955 1.00 0.00 C ATOM 166 NH1 ARG A 133 16.862 11.926 -13.061 1.00 0.00 N ATOM 167 NH2 ARG A 133 18.599 11.161 -11.769 1.00 0.00 N ATOM 0 H ARG A 133 13.599 13.055 -8.561 1.00 0.00 H new ATOM 0 HA ARG A 133 11.842 14.728 -10.133 1.00 0.00 H new ATOM 0 HB2 ARG A 133 13.833 14.980 -11.533 1.00 0.00 H new ATOM 0 HB3 ARG A 133 14.275 15.196 -9.851 1.00 0.00 H new ATOM 0 HG2 ARG A 133 15.042 12.794 -9.758 1.00 0.00 H new ATOM 0 HG3 ARG A 133 14.632 12.609 -11.452 1.00 0.00 H new ATOM 0 HD2 ARG A 133 16.220 14.357 -12.100 1.00 0.00 H new ATOM 0 HD3 ARG A 133 16.516 14.777 -10.424 1.00 0.00 H new ATOM 0 HE ARG A 133 17.983 12.983 -10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.095 12.581 -13.216 1.00 0.00 H new ATOM 0 HH12 ARG A 133 17.062 11.202 -13.751 1.00 0.00 H new ATOM 0 HH21 ARG A 133 19.174 11.223 -10.929 1.00 0.00 H new ATOM 0 HH22 ARG A 133 18.790 10.441 -12.466 1.00 0.00 H new ATOM 181 N SER A 134 11.516 11.785 -10.642 1.00 0.00 N ATOM 182 CA SER A 134 11.068 10.648 -11.435 1.00 0.00 C ATOM 183 C SER A 134 9.739 10.113 -10.902 1.00 0.00 C ATOM 184 O SER A 134 9.461 8.920 -11.013 1.00 0.00 O ATOM 185 CB SER A 134 12.123 9.541 -11.423 1.00 0.00 C ATOM 186 OG SER A 134 13.381 10.057 -11.813 1.00 0.00 O ATOM 0 H SER A 134 11.372 11.658 -9.640 1.00 0.00 H new ATOM 0 HA SER A 134 10.922 10.983 -12.462 1.00 0.00 H new ATOM 0 HB2 SER A 134 12.194 9.108 -10.425 1.00 0.00 H new ATOM 0 HB3 SER A 134 11.826 8.739 -12.099 1.00 0.00 H new ATOM 0 HG SER A 134 14.048 9.339 -11.800 1.00 0.00 H new ATOM 192 N LYS A 135 8.921 11.001 -10.317 1.00 0.00 N ATOM 193 CA LYS A 135 7.639 10.704 -9.678 1.00 0.00 C ATOM 194 C LYS A 135 7.851 9.997 -8.346 1.00 0.00 C ATOM 195 O LYS A 135 7.036 10.103 -7.431 1.00 0.00 O ATOM 196 CB LYS A 135 6.750 9.852 -10.594 1.00 0.00 C ATOM 197 CG LYS A 135 6.740 10.469 -11.987 1.00 0.00 C ATOM 198 CD LYS A 135 5.913 9.647 -12.980 1.00 0.00 C ATOM 199 CE LYS A 135 6.580 8.296 -13.228 1.00 0.00 C ATOM 200 NZ LYS A 135 5.792 7.479 -14.169 1.00 0.00 N ATOM 0 H LYS A 135 9.151 11.994 -10.277 1.00 0.00 H new ATOM 0 HA LYS A 135 7.133 11.651 -9.493 1.00 0.00 H new ATOM 0 HB2 LYS A 135 7.125 8.829 -10.638 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.736 9.803 -10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 135 6.337 11.480 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 135 7.764 10.553 -12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 135 4.906 9.498 -12.590 1.00 0.00 H new ATOM 0 HD3 LYS A 135 5.814 10.190 -13.920 1.00 0.00 H new ATOM 0 HE2 LYS A 135 7.583 8.450 -13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 135 6.691 7.763 -12.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 5.434 6.634 -13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 4.991 8.037 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 6.395 7.188 -14.965 1.00 0.00 H new ATOM 214 N GLY A 136 8.963 9.276 -8.252 1.00 0.00 N ATOM 215 CA GLY A 136 9.473 8.668 -7.042 1.00 0.00 C ATOM 216 C GLY A 136 8.697 7.440 -6.574 1.00 0.00 C ATOM 217 O GLY A 136 9.271 6.562 -5.937 1.00 0.00 O ATOM 0 H GLY A 136 9.558 9.095 -9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.513 8.385 -7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 136 9.465 9.412 -6.246 1.00 0.00 H new ATOM 221 N ASP A 137 7.402 7.372 -6.878 1.00 0.00 N ATOM 222 CA ASP A 137 6.559 6.256 -6.495 1.00 0.00 C ATOM 223 C ASP A 137 5.607 5.925 -7.645 1.00 0.00 C ATOM 224 O ASP A 137 5.729 6.490 -8.733 1.00 0.00 O ATOM 225 CB ASP A 137 5.825 6.593 -5.185 1.00 0.00 C ATOM 226 CG ASP A 137 5.325 5.358 -4.438 1.00 0.00 C ATOM 227 OD1 ASP A 137 5.477 4.242 -4.976 1.00 0.00 O ATOM 228 OD2 ASP A 137 4.788 5.545 -3.325 1.00 0.00 O ATOM 0 H ASP A 137 6.911 8.098 -7.400 1.00 0.00 H new ATOM 0 HA ASP A 137 7.157 5.365 -6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.495 7.155 -4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.978 7.242 -5.408 1.00 0.00 H new ATOM 233 N ARG A 138 4.663 5.017 -7.412 1.00 0.00 N ATOM 234 CA ARG A 138 3.771 4.489 -8.432 1.00 0.00 C ATOM 235 C ARG A 138 2.326 4.879 -8.121 1.00 0.00 C ATOM 236 O ARG A 138 2.075 5.536 -7.114 1.00 0.00 O ATOM 237 CB ARG A 138 3.974 2.973 -8.464 1.00 0.00 C ATOM 238 CG ARG A 138 5.322 2.617 -9.107 1.00 0.00 C ATOM 239 CD ARG A 138 5.651 1.137 -8.924 1.00 0.00 C ATOM 240 NE ARG A 138 7.052 0.874 -9.262 1.00 0.00 N ATOM 241 CZ ARG A 138 8.078 1.085 -8.437 1.00 0.00 C ATOM 242 NH1 ARG A 138 7.880 1.514 -7.193 1.00 0.00 N ATOM 243 NH2 ARG A 138 9.316 0.870 -8.850 1.00 0.00 N ATOM 0 H ARG A 138 4.496 4.621 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 138 3.993 4.904 -9.415 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.933 2.575 -7.450 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.164 2.505 -9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.295 2.857 -10.170 1.00 0.00 H new ATOM 0 HG3 ARG A 138 6.111 3.225 -8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.458 0.841 -7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.999 0.533 -9.556 1.00 0.00 H new ATOM 0 HE ARG A 138 7.256 0.505 -10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.932 1.686 -6.858 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.676 1.670 -6.575 1.00 0.00 H new ATOM 0 HH21 ARG A 138 9.487 0.542 -9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 138 10.100 1.032 -8.218 1.00 0.00 H new ATOM 257 N CYS A 139 1.385 4.474 -8.981 1.00 0.00 N ATOM 258 CA CYS A 139 -0.043 4.709 -8.843 1.00 0.00 C ATOM 259 C CYS A 139 -0.510 4.390 -7.423 1.00 0.00 C ATOM 260 O CYS A 139 -0.439 3.251 -6.963 1.00 0.00 O ATOM 261 CB CYS A 139 -0.763 3.881 -9.923 1.00 0.00 C ATOM 262 SG CYS A 139 -2.523 3.668 -9.553 1.00 0.00 S ATOM 0 H CYS A 139 1.616 3.952 -9.826 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.285 5.761 -8.997 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.653 4.372 -10.890 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.289 2.903 -10.006 1.00 0.00 H new ATOM 267 N TYR A 140 -0.999 5.419 -6.722 1.00 0.00 N ATOM 268 CA TYR A 140 -1.538 5.307 -5.373 1.00 0.00 C ATOM 269 C TYR A 140 -2.881 4.577 -5.366 1.00 0.00 C ATOM 270 O TYR A 140 -3.589 4.628 -4.364 1.00 0.00 O ATOM 271 CB TYR A 140 -1.683 6.701 -4.752 1.00 0.00 C ATOM 272 CG TYR A 140 -0.418 7.280 -4.167 1.00 0.00 C ATOM 273 CD1 TYR A 140 0.843 6.750 -4.482 1.00 0.00 C ATOM 274 CD2 TYR A 140 -0.517 8.362 -3.281 1.00 0.00 C ATOM 275 CE1 TYR A 140 2.001 7.307 -3.923 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.634 8.910 -2.705 1.00 0.00 C ATOM 277 CZ TYR A 140 1.899 8.388 -3.030 1.00 0.00 C ATOM 278 OH TYR A 140 3.023 8.928 -2.478 1.00 0.00 O ATOM 0 H TYR A 140 -1.029 6.370 -7.089 1.00 0.00 H new ATOM 0 HA TYR A 140 -0.841 4.719 -4.776 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.057 7.384 -5.515 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.439 6.655 -3.968 1.00 0.00 H new ATOM 0 HD1 TYR A 140 0.921 5.911 -5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.486 8.774 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 140 2.971 6.906 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.551 9.733 -2.011 1.00 0.00 H new ATOM 0 HH TYR A 140 2.773 9.667 -1.885 1.00 0.00 H new ATOM 288 N ASN A 141 -3.250 3.901 -6.453 1.00 0.00 N ATOM 289 CA ASN A 141 -4.461 3.104 -6.463 1.00 0.00 C ATOM 290 C ASN A 141 -4.153 1.637 -6.706 1.00 0.00 C ATOM 291 O ASN A 141 -4.798 0.783 -6.103 1.00 0.00 O ATOM 292 CB ASN A 141 -5.425 3.646 -7.515 1.00 0.00 C ATOM 293 CG ASN A 141 -6.778 2.970 -7.400 1.00 0.00 C ATOM 294 OD1 ASN A 141 -7.534 3.269 -6.483 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.090 2.063 -8.320 1.00 0.00 N ATOM 0 H ASN A 141 -2.728 3.893 -7.329 1.00 0.00 H new ATOM 0 HA ASN A 141 -4.934 3.175 -5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.539 4.723 -7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.014 3.482 -8.511 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.990 1.585 -8.280 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.430 1.845 -9.066 1.00 0.00 H new ATOM 302 N CYS A 142 -3.190 1.333 -7.583 1.00 0.00 N ATOM 303 CA CYS A 142 -2.876 -0.040 -7.940 1.00 0.00 C ATOM 304 C CYS A 142 -1.411 -0.373 -7.694 1.00 0.00 C ATOM 305 O CYS A 142 -1.086 -1.471 -7.249 1.00 0.00 O ATOM 306 CB CYS A 142 -3.303 -0.249 -9.389 1.00 0.00 C ATOM 307 SG CYS A 142 -2.074 0.398 -10.543 1.00 0.00 S ATOM 0 H CYS A 142 -2.616 2.030 -8.057 1.00 0.00 H new ATOM 0 HA CYS A 142 -3.424 -0.733 -7.302 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.453 -1.312 -9.575 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.260 0.243 -9.562 1.00 0.00 H new ATOM 312 N GLY A 143 -0.528 0.586 -7.989 1.00 0.00 N ATOM 313 CA GLY A 143 0.901 0.427 -7.828 1.00 0.00 C ATOM 314 C GLY A 143 1.624 0.350 -9.173 1.00 0.00 C ATOM 315 O GLY A 143 2.789 -0.035 -9.219 1.00 0.00 O ATOM 0 H GLY A 143 -0.799 1.501 -8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 143 1.296 1.263 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 143 1.103 -0.478 -7.256 1.00 0.00 H new ATOM 319 N GLY A 144 0.948 0.715 -10.269 1.00 0.00 N ATOM 320 CA GLY A 144 1.547 0.738 -11.598 1.00 0.00 C ATOM 321 C GLY A 144 2.368 2.005 -11.829 1.00 0.00 C ATOM 322 O GLY A 144 2.256 2.960 -11.074 1.00 0.00 O ATOM 0 H GLY A 144 -0.031 1.002 -10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.185 -0.137 -11.724 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.762 0.671 -12.351 1.00 0.00 H new ATOM 326 N LEU A 145 3.198 2.022 -12.871 1.00 0.00 N ATOM 327 CA LEU A 145 4.174 3.095 -13.064 1.00 0.00 C ATOM 328 C LEU A 145 3.882 3.901 -14.320 1.00 0.00 C ATOM 329 O LEU A 145 4.304 5.047 -14.433 1.00 0.00 O ATOM 330 CB LEU A 145 5.601 2.544 -13.164 1.00 0.00 C ATOM 331 CG LEU A 145 5.691 1.062 -13.527 1.00 0.00 C ATOM 332 CD1 LEU A 145 7.086 0.752 -14.059 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.462 0.217 -12.274 1.00 0.00 C ATOM 0 H LEU A 145 3.214 1.304 -13.596 1.00 0.00 H new ATOM 0 HA LEU A 145 4.091 3.742 -12.191 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.147 3.121 -13.911 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.104 2.701 -12.210 1.00 0.00 H new ATOM 0 HG LEU A 145 4.938 0.834 -14.282 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.150 -0.305 -14.318 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.279 1.355 -14.946 1.00 0.00 H new ATOM 0 HD13 LEU A 145 7.827 0.984 -13.294 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.526 -0.840 -12.531 1.00 0.00 H new ATOM 0 HD22 LEU A 145 6.222 0.456 -11.530 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.474 0.432 -11.866 1.00 0.00 H new ATOM 345 N ASP A 146 3.166 3.298 -15.268 1.00 0.00 N ATOM 346 CA ASP A 146 2.836 3.955 -16.516 1.00 0.00 C ATOM 347 C ASP A 146 1.706 4.972 -16.316 1.00 0.00 C ATOM 348 O ASP A 146 1.278 5.629 -17.267 1.00 0.00 O ATOM 349 CB ASP A 146 2.452 2.862 -17.513 1.00 0.00 C ATOM 350 CG ASP A 146 2.049 3.431 -18.868 1.00 0.00 C ATOM 351 OD1 ASP A 146 2.853 4.204 -19.437 1.00 0.00 O ATOM 352 OD2 ASP A 146 0.939 3.086 -19.324 1.00 0.00 O ATOM 0 H ASP A 146 2.804 2.348 -15.187 1.00 0.00 H new ATOM 0 HA ASP A 146 3.687 4.521 -16.896 1.00 0.00 H new ATOM 0 HB2 ASP A 146 3.293 2.180 -17.643 1.00 0.00 H new ATOM 0 HB3 ASP A 146 1.627 2.277 -17.107 1.00 0.00 H new ATOM 357 N HIS A 147 1.208 5.111 -15.085 1.00 0.00 N ATOM 358 CA HIS A 147 0.077 5.976 -14.784 1.00 0.00 C ATOM 359 C HIS A 147 0.055 6.356 -13.300 1.00 0.00 C ATOM 360 O HIS A 147 0.992 6.054 -12.562 1.00 0.00 O ATOM 361 CB HIS A 147 -1.202 5.230 -15.168 1.00 0.00 C ATOM 362 CG HIS A 147 -1.426 3.988 -14.349 1.00 0.00 C ATOM 363 ND1 HIS A 147 -0.845 2.759 -14.554 1.00 0.00 N ATOM 364 CD2 HIS A 147 -2.243 3.870 -13.260 1.00 0.00 C ATOM 365 CE1 HIS A 147 -1.299 1.926 -13.599 1.00 0.00 C ATOM 366 NE2 HIS A 147 -2.167 2.560 -12.791 1.00 0.00 N ATOM 0 H HIS A 147 1.582 4.624 -14.271 1.00 0.00 H new ATOM 0 HA HIS A 147 0.159 6.903 -15.352 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -2.055 5.897 -15.047 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -1.156 4.960 -16.223 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -0.188 2.521 -15.297 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.846 4.659 -12.835 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -1.007 0.891 -13.496 1.00 0.00 H new ATOM 374 N HIS A 148 -1.027 7.013 -12.869 1.00 0.00 N ATOM 375 CA HIS A 148 -1.231 7.418 -11.482 1.00 0.00 C ATOM 376 C HIS A 148 -2.636 7.049 -11.015 1.00 0.00 C ATOM 377 O HIS A 148 -3.468 6.632 -11.818 1.00 0.00 O ATOM 378 CB HIS A 148 -1.009 8.927 -11.346 1.00 0.00 C ATOM 379 CG HIS A 148 0.430 9.324 -11.555 1.00 0.00 C ATOM 380 ND1 HIS A 148 0.880 10.297 -12.452 1.00 0.00 N ATOM 381 CD2 HIS A 148 1.500 8.796 -10.896 1.00 0.00 C ATOM 382 CE1 HIS A 148 2.211 10.332 -12.305 1.00 0.00 C ATOM 383 NE2 HIS A 148 2.608 9.445 -11.380 1.00 0.00 N ATOM 0 H HIS A 148 -1.794 7.280 -13.486 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.512 6.891 -10.854 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -1.635 9.449 -12.070 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -1.331 9.250 -10.356 1.00 0.00 H new ATOM 0 HD1 HIS A 148 0.314 10.862 -13.085 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.480 8.022 -10.143 1.00 0.00 H new ATOM 0 HE1 HIS A 148 2.873 10.984 -12.855 1.00 0.00 H new ATOM 391 N ALA A 149 -2.908 7.204 -9.718 1.00 0.00 N ATOM 392 CA ALA A 149 -4.158 6.788 -9.100 1.00 0.00 C ATOM 393 C ALA A 149 -5.388 7.453 -9.714 1.00 0.00 C ATOM 394 O ALA A 149 -6.494 6.924 -9.608 1.00 0.00 O ATOM 395 CB ALA A 149 -4.074 7.113 -7.613 1.00 0.00 C ATOM 0 H ALA A 149 -2.253 7.629 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.282 5.719 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.999 6.812 -7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.236 6.575 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -3.927 8.185 -7.483 1.00 0.00 H new ATOM 401 N LYS A 150 -5.205 8.605 -10.368 1.00 0.00 N ATOM 402 CA LYS A 150 -6.275 9.330 -11.036 1.00 0.00 C ATOM 403 C LYS A 150 -6.447 8.892 -12.483 1.00 0.00 C ATOM 404 O LYS A 150 -7.400 9.285 -13.149 1.00 0.00 O ATOM 405 CB LYS A 150 -5.950 10.815 -10.987 1.00 0.00 C ATOM 406 CG LYS A 150 -4.603 11.117 -11.654 1.00 0.00 C ATOM 407 CD LYS A 150 -4.068 12.459 -11.167 1.00 0.00 C ATOM 408 CE LYS A 150 -3.689 12.339 -9.693 1.00 0.00 C ATOM 409 NZ LYS A 150 -3.335 13.653 -9.135 1.00 0.00 N ATOM 0 H LYS A 150 -4.296 9.060 -10.445 1.00 0.00 H new ATOM 0 HA LYS A 150 -7.212 9.117 -10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -6.739 11.378 -11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.927 11.150 -9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.889 10.326 -11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.720 11.135 -12.738 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.200 12.754 -11.756 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.822 13.235 -11.300 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.521 11.913 -9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.848 11.654 -9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.213 13.571 -8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.447 13.985 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.094 14.333 -9.341 1.00 0.00 H new ATOM 423 N GLU A 151 -5.511 8.072 -12.959 1.00 0.00 N ATOM 424 CA GLU A 151 -5.539 7.495 -14.297 1.00 0.00 C ATOM 425 C GLU A 151 -5.690 5.976 -14.261 1.00 0.00 C ATOM 426 O GLU A 151 -5.739 5.335 -15.314 1.00 0.00 O ATOM 427 CB GLU A 151 -4.250 7.825 -15.040 1.00 0.00 C ATOM 428 CG GLU A 151 -3.828 9.278 -14.895 1.00 0.00 C ATOM 429 CD GLU A 151 -2.683 9.580 -15.849 1.00 0.00 C ATOM 430 OE1 GLU A 151 -1.643 8.890 -15.733 1.00 0.00 O ATOM 431 OE2 GLU A 151 -2.851 10.492 -16.683 1.00 0.00 O ATOM 0 H GLU A 151 -4.698 7.786 -12.413 1.00 0.00 H new ATOM 0 HA GLU A 151 -6.401 7.925 -14.808 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -3.451 7.183 -14.670 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -4.379 7.595 -16.098 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -4.672 9.934 -15.107 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -3.520 9.476 -13.868 1.00 0.00 H new ATOM 438 N CYS A 152 -5.757 5.405 -13.058 1.00 0.00 N ATOM 439 CA CYS A 152 -5.897 3.972 -12.862 1.00 0.00 C ATOM 440 C CYS A 152 -7.136 3.432 -13.574 1.00 0.00 C ATOM 441 O CYS A 152 -8.021 4.188 -13.967 1.00 0.00 O ATOM 442 CB CYS A 152 -5.883 3.674 -11.363 1.00 0.00 C ATOM 443 SG CYS A 152 -5.231 2.003 -11.123 1.00 0.00 S ATOM 0 H CYS A 152 -5.715 5.934 -12.187 1.00 0.00 H new ATOM 0 HA CYS A 152 -5.055 3.449 -13.315 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.265 4.402 -10.837 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.889 3.752 -10.951 1.00 0.00 H new ATOM 448 N LYS A 153 -7.196 2.105 -13.741 1.00 0.00 N ATOM 449 CA LYS A 153 -8.241 1.479 -14.549 1.00 0.00 C ATOM 450 C LYS A 153 -8.953 0.343 -13.826 1.00 0.00 C ATOM 451 O LYS A 153 -9.807 -0.326 -14.409 1.00 0.00 O ATOM 452 CB LYS A 153 -7.667 1.041 -15.900 1.00 0.00 C ATOM 453 CG LYS A 153 -6.269 0.423 -15.798 1.00 0.00 C ATOM 454 CD LYS A 153 -6.258 -0.907 -15.049 1.00 0.00 C ATOM 455 CE LYS A 153 -7.043 -1.970 -15.812 1.00 0.00 C ATOM 456 NZ LYS A 153 -6.357 -2.379 -17.054 1.00 0.00 N ATOM 0 H LYS A 153 -6.534 1.449 -13.327 1.00 0.00 H new ATOM 0 HA LYS A 153 -9.013 2.227 -14.729 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -8.343 0.318 -16.356 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -7.627 1.903 -16.566 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.870 0.272 -16.801 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.604 1.124 -15.293 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -5.230 -1.240 -14.908 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.689 -0.773 -14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.188 -2.842 -15.174 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -8.033 -1.585 -16.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -6.830 -3.215 -17.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -6.391 -1.600 -17.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -5.365 -2.611 -16.843 1.00 0.00 H new ATOM 470 N LEU A 154 -8.594 0.128 -12.564 1.00 0.00 N ATOM 471 CA LEU A 154 -9.193 -0.888 -11.708 1.00 0.00 C ATOM 472 C LEU A 154 -9.840 -0.208 -10.498 1.00 0.00 C ATOM 473 O LEU A 154 -9.596 0.975 -10.256 1.00 0.00 O ATOM 474 CB LEU A 154 -8.138 -1.946 -11.337 1.00 0.00 C ATOM 475 CG LEU A 154 -6.768 -1.390 -10.968 1.00 0.00 C ATOM 476 CD1 LEU A 154 -6.854 -0.835 -9.554 1.00 0.00 C ATOM 477 CD2 LEU A 154 -5.747 -2.526 -10.982 1.00 0.00 C ATOM 0 H LEU A 154 -7.863 0.667 -12.099 1.00 0.00 H new ATOM 0 HA LEU A 154 -9.986 -1.423 -12.230 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.513 -2.532 -10.498 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -8.021 -2.630 -12.177 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.469 -0.615 -11.674 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.885 -0.429 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.604 -0.045 -9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.135 -1.633 -8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -4.764 -2.135 -10.719 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.040 -3.288 -10.259 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -5.707 -2.967 -11.978 1.00 0.00 H new ATOM 489 N PRO A 155 -10.659 -0.930 -9.724 1.00 0.00 N ATOM 490 CA PRO A 155 -11.321 -0.388 -8.549 1.00 0.00 C ATOM 491 C PRO A 155 -10.289 -0.070 -7.466 1.00 0.00 C ATOM 492 O PRO A 155 -9.137 -0.475 -7.579 1.00 0.00 O ATOM 493 CB PRO A 155 -12.302 -1.471 -8.107 1.00 0.00 C ATOM 494 CG PRO A 155 -11.671 -2.759 -8.627 1.00 0.00 C ATOM 495 CD PRO A 155 -11.026 -2.319 -9.934 1.00 0.00 C ATOM 0 HA PRO A 155 -11.843 0.547 -8.751 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.417 -1.490 -7.023 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.294 -1.311 -8.530 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -10.936 -3.159 -7.929 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -12.416 -3.538 -8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.152 -2.927 -10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -11.718 -2.422 -10.770 1.00 0.00 H new ATOM 503 N PRO A 156 -10.686 0.655 -6.415 1.00 0.00 N ATOM 504 CA PRO A 156 -9.764 1.103 -5.385 1.00 0.00 C ATOM 505 C PRO A 156 -9.213 -0.066 -4.585 1.00 0.00 C ATOM 506 O PRO A 156 -9.897 -0.615 -3.723 1.00 0.00 O ATOM 507 CB PRO A 156 -10.565 2.079 -4.521 1.00 0.00 C ATOM 508 CG PRO A 156 -12.011 1.625 -4.710 1.00 0.00 C ATOM 509 CD PRO A 156 -12.038 1.113 -6.152 1.00 0.00 C ATOM 0 HA PRO A 156 -8.885 1.589 -5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -10.263 2.029 -3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.423 3.110 -4.845 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -12.282 0.843 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.712 2.446 -4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.758 0.304 -6.270 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -12.329 1.902 -6.845 1.00 0.00 H new ATOM 517 N GLN A 157 -7.966 -0.443 -4.873 1.00 0.00 N ATOM 518 CA GLN A 157 -7.285 -1.497 -4.141 1.00 0.00 C ATOM 519 C GLN A 157 -6.826 -0.955 -2.797 1.00 0.00 C ATOM 520 O GLN A 157 -6.670 0.258 -2.641 1.00 0.00 O ATOM 521 CB GLN A 157 -6.041 -1.974 -4.899 1.00 0.00 C ATOM 522 CG GLN A 157 -6.342 -2.293 -6.354 1.00 0.00 C ATOM 523 CD GLN A 157 -7.334 -3.433 -6.500 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.173 -4.494 -5.905 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.376 -3.224 -7.296 1.00 0.00 N ATOM 0 H GLN A 157 -7.408 -0.025 -5.617 1.00 0.00 H new ATOM 0 HA GLN A 157 -7.980 -2.328 -4.018 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.270 -1.205 -4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.638 -2.861 -4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -6.739 -1.404 -6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.415 -2.553 -6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.480 -2.330 -7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.073 -3.957 -7.427 1.00 0.00 H new ATOM 534 N PRO A 158 -6.608 -1.836 -1.824 1.00 0.00 N ATOM 535 CA PRO A 158 -5.976 -1.487 -0.576 1.00 0.00 C ATOM 536 C PRO A 158 -4.479 -1.490 -0.804 1.00 0.00 C ATOM 537 O PRO A 158 -3.905 -2.467 -1.285 1.00 0.00 O ATOM 538 CB PRO A 158 -6.384 -2.594 0.378 1.00 0.00 C ATOM 539 CG PRO A 158 -6.479 -3.823 -0.532 1.00 0.00 C ATOM 540 CD PRO A 158 -6.943 -3.246 -1.870 1.00 0.00 C ATOM 0 HA PRO A 158 -6.259 -0.509 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.648 -2.735 1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.336 -2.377 0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.518 -4.328 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.187 -4.555 -0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.445 -3.740 -2.704 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.015 -3.390 -2.008 1.00 0.00 H new ATOM 548 N LYS A 159 -3.842 -0.379 -0.454 1.00 0.00 N ATOM 549 CA LYS A 159 -2.406 -0.253 -0.617 1.00 0.00 C ATOM 550 C LYS A 159 -1.717 -1.052 0.478 1.00 0.00 C ATOM 551 O LYS A 159 -1.686 -0.636 1.634 1.00 0.00 O ATOM 552 CB LYS A 159 -1.967 1.212 -0.640 1.00 0.00 C ATOM 553 CG LYS A 159 -2.705 2.122 0.346 1.00 0.00 C ATOM 554 CD LYS A 159 -2.111 3.525 0.353 1.00 0.00 C ATOM 555 CE LYS A 159 -1.971 4.058 -1.069 1.00 0.00 C ATOM 556 NZ LYS A 159 -3.254 3.972 -1.791 1.00 0.00 N ATOM 0 H LYS A 159 -4.298 0.442 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.111 -0.661 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -0.899 1.260 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.108 1.603 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -3.760 2.173 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -2.651 1.696 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -2.747 4.192 0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -1.135 3.510 0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -1.633 5.094 -1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -1.210 3.488 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -3.103 4.195 -2.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -3.638 3.009 -1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -3.928 4.651 -1.383 1.00 0.00 H new ATOM 570 N LYS A 160 -1.162 -2.206 0.099 1.00 0.00 N ATOM 571 CA LYS A 160 -0.423 -3.054 1.020 1.00 0.00 C ATOM 572 C LYS A 160 0.936 -2.437 1.307 1.00 0.00 C ATOM 573 O LYS A 160 1.450 -1.634 0.532 1.00 0.00 O ATOM 574 CB LYS A 160 -0.213 -4.431 0.384 1.00 0.00 C ATOM 575 CG LYS A 160 -1.531 -5.189 0.211 1.00 0.00 C ATOM 576 CD LYS A 160 -1.410 -6.200 -0.924 1.00 0.00 C ATOM 577 CE LYS A 160 -2.316 -5.709 -2.048 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.308 -6.643 -3.180 1.00 0.00 N ATOM 0 H LYS A 160 -1.215 -2.572 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.987 -3.151 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.267 -4.312 -0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.464 -5.018 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.789 -5.701 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.338 -4.487 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.378 -6.277 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.711 -7.193 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.334 -5.594 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -1.986 -4.725 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.933 -6.284 -3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.340 -6.733 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.646 -7.574 -2.864 1.00 0.00 H new ATOM 592 N CYS A 161 1.517 -2.829 2.440 1.00 0.00 N ATOM 593 CA CYS A 161 2.866 -2.467 2.807 1.00 0.00 C ATOM 594 C CYS A 161 3.830 -2.973 1.728 1.00 0.00 C ATOM 595 O CYS A 161 3.833 -4.163 1.405 1.00 0.00 O ATOM 596 CB CYS A 161 3.135 -3.092 4.173 1.00 0.00 C ATOM 597 SG CYS A 161 4.843 -2.852 4.686 1.00 0.00 S ATOM 0 H CYS A 161 1.049 -3.415 3.132 1.00 0.00 H new ATOM 0 HA CYS A 161 3.006 -1.388 2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.467 -2.652 4.913 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.912 -4.158 4.136 1.00 0.00 H new ATOM 602 N HIS A 162 4.649 -2.079 1.163 1.00 0.00 N ATOM 603 CA HIS A 162 5.645 -2.426 0.158 1.00 0.00 C ATOM 604 C HIS A 162 6.736 -3.322 0.750 1.00 0.00 C ATOM 605 O HIS A 162 7.748 -3.574 0.097 1.00 0.00 O ATOM 606 CB HIS A 162 6.293 -1.143 -0.381 1.00 0.00 C ATOM 607 CG HIS A 162 5.424 -0.367 -1.331 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.487 -0.915 -2.210 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.442 0.990 -1.484 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.972 0.129 -2.881 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.524 1.284 -2.464 1.00 0.00 N ATOM 0 H HIS A 162 4.634 -1.086 1.397 1.00 0.00 H new ATOM 0 HA HIS A 162 5.145 -2.967 -0.645 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.556 -0.501 0.460 1.00 0.00 H new ATOM 0 HB3 HIS A 162 7.223 -1.403 -0.887 1.00 0.00 H new ATOM 0 HD2 HIS A 162 6.056 1.694 -0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 162 3.218 0.052 -3.650 1.00 0.00 H new ATOM 0 HE2 HIS A 162 4.300 2.215 -2.814 1.00 0.00 H new ATOM 619 N PHE A 163 6.545 -3.798 1.982 1.00 0.00 N ATOM 620 CA PHE A 163 7.592 -4.458 2.730 1.00 0.00 C ATOM 621 C PHE A 163 7.158 -5.782 3.349 1.00 0.00 C ATOM 622 O PHE A 163 7.963 -6.703 3.459 1.00 0.00 O ATOM 623 CB PHE A 163 7.960 -3.474 3.827 1.00 0.00 C ATOM 624 CG PHE A 163 9.354 -3.604 4.359 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.638 -4.599 5.299 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.351 -2.724 3.918 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.943 -4.711 5.804 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.644 -2.827 4.435 1.00 0.00 C ATOM 629 CZ PHE A 163 11.939 -3.823 5.372 1.00 0.00 C ATOM 0 H PHE A 163 5.657 -3.732 2.480 1.00 0.00 H new ATOM 0 HA PHE A 163 8.421 -4.713 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.827 -2.462 3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.260 -3.597 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.863 -5.273 5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 163 10.120 -1.969 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.180 -5.480 6.524 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.413 -2.141 4.113 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.941 -3.909 5.766 1.00 0.00 H new ATOM 639 N CYS A 164 5.888 -5.884 3.751 1.00 0.00 N ATOM 640 CA CYS A 164 5.344 -7.129 4.282 1.00 0.00 C ATOM 641 C CYS A 164 3.975 -7.460 3.678 1.00 0.00 C ATOM 642 O CYS A 164 3.330 -8.433 4.068 1.00 0.00 O ATOM 643 CB CYS A 164 5.234 -6.971 5.786 1.00 0.00 C ATOM 644 SG CYS A 164 3.934 -5.775 6.117 1.00 0.00 S ATOM 0 H CYS A 164 5.219 -5.115 3.717 1.00 0.00 H new ATOM 0 HA CYS A 164 6.005 -7.956 4.021 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.002 -7.927 6.255 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.181 -6.632 6.205 1.00 0.00 H new ATOM 649 N GLN A 165 3.542 -6.636 2.723 1.00 0.00 N ATOM 650 CA GLN A 165 2.253 -6.711 2.043 1.00 0.00 C ATOM 651 C GLN A 165 1.056 -6.672 3.001 1.00 0.00 C ATOM 652 O GLN A 165 -0.017 -7.170 2.668 1.00 0.00 O ATOM 653 CB GLN A 165 2.180 -7.889 1.063 1.00 0.00 C ATOM 654 CG GLN A 165 3.143 -7.691 -0.109 1.00 0.00 C ATOM 655 CD GLN A 165 4.596 -7.877 0.297 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.035 -8.995 0.554 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.358 -6.789 0.358 1.00 0.00 N ATOM 0 H GLN A 165 4.112 -5.859 2.387 1.00 0.00 H new ATOM 0 HA GLN A 165 2.180 -5.801 1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.422 -8.815 1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.162 -7.991 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.897 -8.398 -0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 165 3.009 -6.691 -0.521 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.961 -5.875 0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.339 -6.868 0.625 1.00 0.00 H new ATOM 666 N SER A 166 1.232 -6.080 4.186 1.00 0.00 N ATOM 667 CA SER A 166 0.143 -5.917 5.136 1.00 0.00 C ATOM 668 C SER A 166 -0.564 -4.584 4.906 1.00 0.00 C ATOM 669 O SER A 166 0.025 -3.531 5.137 1.00 0.00 O ATOM 670 CB SER A 166 0.726 -5.939 6.547 1.00 0.00 C ATOM 671 OG SER A 166 1.380 -7.169 6.787 1.00 0.00 O ATOM 0 H SER A 166 2.126 -5.706 4.505 1.00 0.00 H new ATOM 0 HA SER A 166 -0.578 -6.724 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.429 -5.115 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.069 -5.793 7.279 1.00 0.00 H new ATOM 0 HG SER A 166 2.348 -7.050 6.688 1.00 0.00 H new ATOM 677 N ILE A 167 -1.823 -4.618 4.458 1.00 0.00 N ATOM 678 CA ILE A 167 -2.663 -3.430 4.313 1.00 0.00 C ATOM 679 C ILE A 167 -2.951 -2.771 5.660 1.00 0.00 C ATOM 680 O ILE A 167 -3.332 -1.602 5.719 1.00 0.00 O ATOM 681 CB ILE A 167 -3.994 -3.814 3.671 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.720 -4.858 4.533 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.728 -4.339 2.269 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.810 -5.577 3.742 1.00 0.00 C ATOM 0 H ILE A 167 -2.291 -5.482 4.183 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.120 -2.723 3.686 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.642 -2.940 3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -4.000 -5.586 4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.161 -4.370 5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.672 -4.617 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.242 -3.564 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.079 -5.213 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.303 -6.308 4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.543 -4.851 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.364 -6.086 2.888 1.00 0.00 H new ATOM 696 N SER A 168 -2.766 -3.530 6.741 1.00 0.00 N ATOM 697 CA SER A 168 -2.932 -3.055 8.106 1.00 0.00 C ATOM 698 C SER A 168 -2.190 -1.741 8.300 1.00 0.00 C ATOM 699 O SER A 168 -2.736 -0.793 8.867 1.00 0.00 O ATOM 700 CB SER A 168 -2.499 -4.140 9.085 1.00 0.00 C ATOM 701 OG SER A 168 -1.115 -4.380 8.972 1.00 0.00 O ATOM 0 H SER A 168 -2.491 -4.511 6.686 1.00 0.00 H new ATOM 0 HA SER A 168 -3.983 -2.848 8.306 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.740 -3.837 10.104 1.00 0.00 H new ATOM 0 HB3 SER A 168 -3.051 -5.059 8.887 1.00 0.00 H new ATOM 0 HG SER A 168 -0.851 -5.078 9.608 1.00 0.00 H new ATOM 707 N HIS A 169 -0.943 -1.691 7.832 1.00 0.00 N ATOM 708 CA HIS A 169 -0.077 -0.523 7.922 1.00 0.00 C ATOM 709 C HIS A 169 0.516 -0.218 6.550 1.00 0.00 C ATOM 710 O HIS A 169 0.032 -0.706 5.531 1.00 0.00 O ATOM 711 CB HIS A 169 1.017 -0.773 8.970 1.00 0.00 C ATOM 712 CG HIS A 169 1.837 -2.006 8.710 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.710 -3.215 9.356 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.845 -2.153 7.791 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.626 -4.057 8.851 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.354 -3.450 7.894 1.00 0.00 N ATOM 0 H HIS A 169 -0.499 -2.484 7.369 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.653 0.346 8.239 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.679 0.092 9.003 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.553 -0.857 9.953 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.037 -3.433 10.091 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.187 -1.394 7.104 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.761 -5.080 9.169 1.00 0.00 H new ATOM 724 N MET A 170 1.577 0.587 6.528 1.00 0.00 N ATOM 725 CA MET A 170 2.308 0.932 5.324 1.00 0.00 C ATOM 726 C MET A 170 3.779 0.658 5.595 1.00 0.00 C ATOM 727 O MET A 170 4.177 0.557 6.751 1.00 0.00 O ATOM 728 CB MET A 170 2.133 2.424 5.053 1.00 0.00 C ATOM 729 CG MET A 170 0.689 2.832 4.770 1.00 0.00 C ATOM 730 SD MET A 170 0.259 2.982 3.020 1.00 0.00 S ATOM 731 CE MET A 170 0.382 1.254 2.510 1.00 0.00 C ATOM 0 H MET A 170 1.955 1.024 7.369 1.00 0.00 H new ATOM 0 HA MET A 170 1.950 0.357 4.470 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.498 2.986 5.913 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.754 2.705 4.202 1.00 0.00 H new ATOM 0 HG2 MET A 170 0.025 2.100 5.229 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.496 3.787 5.258 1.00 0.00 H new ATOM 0 HE1 MET A 170 0.094 1.162 1.463 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.409 0.910 2.636 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.283 0.645 3.123 1.00 0.00 H new ATOM 741 N VAL A 171 4.600 0.536 4.551 1.00 0.00 N ATOM 742 CA VAL A 171 6.037 0.417 4.735 1.00 0.00 C ATOM 743 C VAL A 171 6.530 1.614 5.522 1.00 0.00 C ATOM 744 O VAL A 171 7.566 1.555 6.175 1.00 0.00 O ATOM 745 CB VAL A 171 6.739 0.351 3.383 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.707 1.725 2.738 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.196 -0.042 3.532 1.00 0.00 C ATOM 0 H VAL A 171 4.293 0.518 3.579 1.00 0.00 H new ATOM 0 HA VAL A 171 6.261 -0.499 5.281 1.00 0.00 H new ATOM 0 HB VAL A 171 6.221 -0.393 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.208 1.685 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.672 2.037 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.218 2.441 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.665 -0.079 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.710 0.693 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.262 -1.023 4.003 1.00 0.00 H new ATOM 757 N ALA A 172 5.762 2.706 5.455 1.00 0.00 N ATOM 758 CA ALA A 172 6.072 3.915 6.168 1.00 0.00 C ATOM 759 C ALA A 172 6.073 3.686 7.677 1.00 0.00 C ATOM 760 O ALA A 172 6.534 4.524 8.444 1.00 0.00 O ATOM 761 CB ALA A 172 5.040 4.973 5.799 1.00 0.00 C ATOM 0 H ALA A 172 4.909 2.760 4.899 1.00 0.00 H new ATOM 0 HA ALA A 172 7.072 4.247 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.261 5.898 6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 172 5.074 5.156 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 172 4.045 4.623 6.076 1.00 0.00 H new ATOM 767 N SER A 173 5.549 2.527 8.084 1.00 0.00 N ATOM 768 CA SER A 173 5.406 2.147 9.476 1.00 0.00 C ATOM 769 C SER A 173 5.644 0.657 9.672 1.00 0.00 C ATOM 770 O SER A 173 5.324 0.130 10.737 1.00 0.00 O ATOM 771 CB SER A 173 3.995 2.495 9.947 1.00 0.00 C ATOM 772 OG SER A 173 4.028 2.886 11.306 1.00 0.00 O ATOM 0 H SER A 173 5.208 1.818 7.435 1.00 0.00 H new ATOM 0 HA SER A 173 6.150 2.691 10.058 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.586 3.300 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.337 1.635 9.822 1.00 0.00 H new ATOM 0 HG SER A 173 3.122 3.110 11.604 1.00 0.00 H new ATOM 778 N CYS A 174 6.192 -0.032 8.660 1.00 0.00 N ATOM 779 CA CYS A 174 6.344 -1.483 8.753 1.00 0.00 C ATOM 780 C CYS A 174 7.049 -1.859 10.056 1.00 0.00 C ATOM 781 O CYS A 174 8.086 -1.280 10.388 1.00 0.00 O ATOM 782 CB CYS A 174 7.086 -2.050 7.542 1.00 0.00 C ATOM 783 SG CYS A 174 6.815 -3.847 7.466 1.00 0.00 S ATOM 0 H CYS A 174 6.528 0.383 7.791 1.00 0.00 H new ATOM 0 HA CYS A 174 5.349 -1.927 8.757 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.729 -1.577 6.627 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.151 -1.833 7.618 1.00 0.00 H new ATOM 788 N PRO A 175 6.503 -2.820 10.807 1.00 0.00 N ATOM 789 CA PRO A 175 7.097 -3.287 12.042 1.00 0.00 C ATOM 790 C PRO A 175 8.337 -4.126 11.751 1.00 0.00 C ATOM 791 O PRO A 175 9.146 -4.372 12.648 1.00 0.00 O ATOM 792 CB PRO A 175 6.008 -4.135 12.693 1.00 0.00 C ATOM 793 CG PRO A 175 5.235 -4.693 11.504 1.00 0.00 C ATOM 794 CD PRO A 175 5.272 -3.530 10.521 1.00 0.00 C ATOM 0 HA PRO A 175 7.421 -2.470 12.686 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.431 -4.931 13.306 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.369 -3.538 13.343 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.706 -5.587 11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.215 -4.966 11.774 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.255 -3.886 9.491 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.406 -2.881 10.648 1.00 0.00 H new ATOM 802 N LEU A 176 8.505 -4.577 10.503 1.00 0.00 N ATOM 803 CA LEU A 176 9.640 -5.399 10.147 1.00 0.00 C ATOM 804 C LEU A 176 10.841 -4.531 9.808 1.00 0.00 C ATOM 805 O LEU A 176 11.932 -4.773 10.309 1.00 0.00 O ATOM 806 CB LEU A 176 9.299 -6.244 8.924 1.00 0.00 C ATOM 807 CG LEU A 176 7.995 -7.020 9.072 1.00 0.00 C ATOM 808 CD1 LEU A 176 7.820 -7.843 7.804 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.040 -7.943 10.284 1.00 0.00 C ATOM 0 H LEU A 176 7.865 -4.381 9.733 1.00 0.00 H new ATOM 0 HA LEU A 176 9.879 -6.038 10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.231 -5.596 8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.112 -6.946 8.737 1.00 0.00 H new ATOM 0 HG LEU A 176 7.163 -6.331 9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 176 6.895 -8.417 7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.776 -7.178 6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.663 -8.525 7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.097 -8.484 10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 176 8.858 -8.655 10.169 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.198 -7.352 11.186 1.00 0.00 H new ATOM 821 N LYS A 177 10.670 -3.517 8.956 1.00 0.00 N ATOM 822 CA LYS A 177 11.804 -2.711 8.531 1.00 0.00 C ATOM 823 C LYS A 177 12.528 -2.087 9.715 1.00 0.00 C ATOM 824 O LYS A 177 13.695 -1.728 9.604 1.00 0.00 O ATOM 825 CB LYS A 177 11.349 -1.651 7.541 1.00 0.00 C ATOM 826 CG LYS A 177 10.622 -0.534 8.268 1.00 0.00 C ATOM 827 CD LYS A 177 10.207 0.550 7.271 1.00 0.00 C ATOM 828 CE LYS A 177 11.402 1.379 6.791 1.00 0.00 C ATOM 829 NZ LYS A 177 11.839 2.328 7.830 1.00 0.00 N ATOM 0 H LYS A 177 9.773 -3.242 8.556 1.00 0.00 H new ATOM 0 HA LYS A 177 12.519 -3.367 8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.210 -1.248 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.692 -2.098 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.742 -0.930 8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.267 -0.107 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.720 0.086 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.473 1.208 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.227 0.716 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.131 1.924 5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.745 2.755 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 11.124 3.075 7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 11.957 1.825 8.733 1.00 0.00 H new ATOM 843 N ALA A 178 11.837 -1.964 10.848 1.00 0.00 N ATOM 844 CA ALA A 178 12.395 -1.396 12.057 1.00 0.00 C ATOM 845 C ALA A 178 13.549 -2.246 12.599 1.00 0.00 C ATOM 846 O ALA A 178 14.274 -1.820 13.495 1.00 0.00 O ATOM 847 CB ALA A 178 11.283 -1.357 13.091 1.00 0.00 C ATOM 0 H ALA A 178 10.866 -2.261 10.945 1.00 0.00 H new ATOM 0 HA ALA A 178 12.788 -0.402 11.842 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.665 -0.934 14.020 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.464 -0.741 12.721 1.00 0.00 H new ATOM 0 HB3 ALA A 178 10.921 -2.369 13.275 1.00 0.00 H new ATOM 853 N GLN A 179 13.703 -3.451 12.046 1.00 0.00 N ATOM 854 CA GLN A 179 14.706 -4.434 12.425 1.00 0.00 C ATOM 855 C GLN A 179 15.261 -5.123 11.180 1.00 0.00 C ATOM 856 O GLN A 179 15.910 -6.161 11.288 1.00 0.00 O ATOM 857 CB GLN A 179 14.062 -5.445 13.388 1.00 0.00 C ATOM 858 CG GLN A 179 12.780 -6.018 12.772 1.00 0.00 C ATOM 859 CD GLN A 179 12.087 -7.070 13.624 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.557 -7.447 14.696 1.00 0.00 O ATOM 861 NE2 GLN A 179 10.954 -7.557 13.132 1.00 0.00 N ATOM 0 H GLN A 179 13.103 -3.777 11.289 1.00 0.00 H new ATOM 0 HA GLN A 179 15.542 -3.948 12.929 1.00 0.00 H new ATOM 0 HB2 GLN A 179 14.763 -6.251 13.603 1.00 0.00 H new ATOM 0 HB3 GLN A 179 13.833 -4.960 14.337 1.00 0.00 H new ATOM 0 HG2 GLN A 179 12.083 -5.200 12.589 1.00 0.00 H new ATOM 0 HG3 GLN A 179 13.021 -6.455 11.803 1.00 0.00 H new ATOM 0 HE21 GLN A 179 10.598 -7.217 12.239 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.439 -8.271 13.647 1.00 0.00 H new ATOM 870 N GLN A 180 15.012 -4.549 9.994 1.00 0.00 N ATOM 871 CA GLN A 180 15.463 -5.128 8.728 1.00 0.00 C ATOM 872 C GLN A 180 16.106 -4.078 7.826 1.00 0.00 C ATOM 873 O GLN A 180 16.958 -4.404 7.002 1.00 0.00 O ATOM 874 CB GLN A 180 14.266 -5.674 7.956 1.00 0.00 C ATOM 875 CG GLN A 180 13.365 -6.606 8.759 1.00 0.00 C ATOM 876 CD GLN A 180 13.636 -8.069 8.447 1.00 0.00 C ATOM 877 OE1 GLN A 180 13.588 -8.479 7.292 1.00 0.00 O ATOM 878 NE2 GLN A 180 13.919 -8.876 9.466 1.00 0.00 N ATOM 0 H GLN A 180 14.495 -3.676 9.889 1.00 0.00 H new ATOM 0 HA GLN A 180 16.184 -5.907 8.977 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.670 -4.836 7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.629 -6.208 7.078 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.517 -6.428 9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.322 -6.377 8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 180 13.952 -8.506 10.416 1.00 0.00 H new ATOM 0 HE22 GLN A 180 14.103 -9.865 9.297 1.00 0.00 H new ATOM 887 N GLY A 181 15.695 -2.820 7.981 1.00 0.00 N ATOM 888 CA GLY A 181 16.142 -1.735 7.129 1.00 0.00 C ATOM 889 C GLY A 181 15.378 -0.464 7.464 1.00 0.00 C ATOM 890 O GLY A 181 14.504 -0.062 6.694 1.00 0.00 O ATOM 0 H GLY A 181 15.039 -2.530 8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 181 17.211 -1.573 7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.988 -1.996 6.082 1.00 0.00 H new ATOM 894 N PRO A 182 15.684 0.179 8.601 1.00 0.00 N ATOM 895 CA PRO A 182 15.009 1.395 9.028 1.00 0.00 C ATOM 896 C PRO A 182 15.257 2.549 8.057 1.00 0.00 C ATOM 897 O PRO A 182 14.643 3.607 8.195 1.00 0.00 O ATOM 898 CB PRO A 182 15.552 1.683 10.429 1.00 0.00 C ATOM 899 CG PRO A 182 16.915 0.995 10.448 1.00 0.00 C ATOM 900 CD PRO A 182 16.692 -0.229 9.557 1.00 0.00 C ATOM 0 HA PRO A 182 13.926 1.276 9.042 1.00 0.00 H new ATOM 0 HB2 PRO A 182 15.643 2.754 10.609 1.00 0.00 H new ATOM 0 HB3 PRO A 182 14.894 1.285 11.201 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.700 1.642 10.056 1.00 0.00 H new ATOM 0 HG3 PRO A 182 17.210 0.711 11.458 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.614 -0.525 9.056 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.357 -1.086 10.141 1.00 0.00 H new ATOM 908 N SER A 183 16.145 2.344 7.083 1.00 0.00 N ATOM 909 CA SER A 183 16.474 3.306 6.048 1.00 0.00 C ATOM 910 C SER A 183 16.843 2.538 4.780 1.00 0.00 C ATOM 911 O SER A 183 17.048 1.324 4.836 1.00 0.00 O ATOM 912 CB SER A 183 17.645 4.173 6.510 1.00 0.00 C ATOM 913 OG SER A 183 17.245 4.929 7.630 1.00 0.00 O ATOM 0 H SER A 183 16.668 1.473 6.996 1.00 0.00 H new ATOM 0 HA SER A 183 15.624 3.958 5.846 1.00 0.00 H new ATOM 0 HB2 SER A 183 18.499 3.546 6.765 1.00 0.00 H new ATOM 0 HB3 SER A 183 17.964 4.834 5.704 1.00 0.00 H new ATOM 0 HG SER A 183 17.992 5.486 7.932 1.00 0.00 H new ATOM 919 N ALA A 184 16.933 3.225 3.642 1.00 0.00 N ATOM 920 CA ALA A 184 17.231 2.569 2.375 1.00 0.00 C ATOM 921 C ALA A 184 17.983 3.484 1.411 1.00 0.00 C ATOM 922 O ALA A 184 18.266 3.091 0.284 1.00 0.00 O ATOM 923 CB ALA A 184 15.930 2.094 1.742 1.00 0.00 C ATOM 0 H ALA A 184 16.804 4.234 3.574 1.00 0.00 H new ATOM 0 HA ALA A 184 17.883 1.720 2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 184 16.145 1.602 0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 184 15.435 1.390 2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 184 15.277 2.949 1.567 1.00 0.00 H new ATOM 929 N GLN A 185 18.308 4.708 1.844 1.00 0.00 N ATOM 930 CA GLN A 185 19.024 5.675 1.030 1.00 0.00 C ATOM 931 C GLN A 185 19.983 6.496 1.887 1.00 0.00 C ATOM 932 O GLN A 185 20.492 7.522 1.436 1.00 0.00 O ATOM 933 CB GLN A 185 18.035 6.605 0.314 1.00 0.00 C ATOM 934 CG GLN A 185 17.108 5.839 -0.637 1.00 0.00 C ATOM 935 CD GLN A 185 16.221 6.790 -1.426 1.00 0.00 C ATOM 936 OE1 GLN A 185 15.897 7.877 -0.958 1.00 0.00 O ATOM 937 NE2 GLN A 185 15.820 6.400 -2.630 1.00 0.00 N ATOM 0 H GLN A 185 18.076 5.050 2.777 1.00 0.00 H new ATOM 0 HA GLN A 185 19.603 5.131 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 185 17.436 7.135 1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 185 18.588 7.358 -0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 185 17.704 5.239 -1.325 1.00 0.00 H new ATOM 0 HG3 GLN A 185 16.488 5.148 -0.066 1.00 0.00 H new ATOM 0 HE21 GLN A 185 16.105 5.490 -2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 185 15.226 7.010 -3.192 1.00 0.00 H new ATOM 946 N GLY A 186 20.234 6.063 3.122 1.00 0.00 N ATOM 947 CA GLY A 186 21.123 6.762 4.038 1.00 0.00 C ATOM 948 C GLY A 186 20.951 6.249 5.455 1.00 0.00 C ATOM 949 O GLY A 186 20.541 7.067 6.305 1.00 0.00 O ATOM 950 OXT GLY A 186 21.227 5.048 5.672 1.00 0.00 O ATOM 0 H GLY A 186 19.824 5.215 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 186 22.157 6.628 3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 186 20.916 7.832 4.007 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 11.454 7.238 3.467 1.00 0.00 O ATOM 956 C5' A B 1 10.183 6.764 3.868 1.00 0.00 C ATOM 957 C4' A B 1 9.193 6.910 2.717 1.00 0.00 C ATOM 958 O4' A B 1 9.548 6.001 1.676 1.00 0.00 O ATOM 959 C3' A B 1 7.812 6.497 3.213 1.00 0.00 C ATOM 960 O3' A B 1 6.807 7.126 2.433 1.00 0.00 O ATOM 961 C2' A B 1 7.812 5.029 2.860 1.00 0.00 C ATOM 962 O2' A B 1 6.502 4.539 2.826 1.00 0.00 O ATOM 963 C1' A B 1 8.458 5.123 1.491 1.00 0.00 C ATOM 964 N9 A B 1 8.817 3.798 0.944 1.00 0.00 N ATOM 965 C8 A B 1 8.321 3.229 -0.199 1.00 0.00 C ATOM 966 N7 A B 1 8.793 2.043 -0.456 1.00 0.00 N ATOM 967 C5 A B 1 9.643 1.788 0.621 1.00 0.00 C ATOM 968 C6 A B 1 10.430 0.683 0.981 1.00 0.00 C ATOM 969 N6 A B 1 10.519 -0.438 0.263 1.00 0.00 N ATOM 970 N1 A B 1 11.132 0.739 2.117 1.00 0.00 N ATOM 971 C2 A B 1 11.057 1.831 2.863 1.00 0.00 C ATOM 972 N3 A B 1 10.376 2.948 2.639 1.00 0.00 N ATOM 973 C4 A B 1 9.668 2.855 1.483 1.00 0.00 C ATOM 0 H5' A B 1 9.832 7.324 4.735 1.00 0.00 H new ATOM 0 H5'' A B 1 10.253 5.719 4.170 1.00 0.00 H new ATOM 0 H4' A B 1 9.201 7.939 2.358 1.00 0.00 H new ATOM 0 H3' A B 1 7.625 6.741 4.259 1.00 0.00 H new ATOM 0 H2' A B 1 8.318 4.351 3.547 1.00 0.00 H new ATOM 0 HO2' A B 1 5.932 5.163 2.330 1.00 0.00 H new ATOM 0 HO5' A B 1 12.087 7.144 4.209 1.00 0.00 H new ATOM 0 H1' A B 1 7.781 5.510 0.729 1.00 0.00 H new ATOM 0 H8 A B 1 7.599 3.722 -0.833 1.00 0.00 H new ATOM 0 H61 A B 1 11.111 -1.204 0.584 1.00 0.00 H new ATOM 0 H62 A B 1 9.995 -0.529 -0.607 1.00 0.00 H new ATOM 0 H2 A B 1 11.628 1.809 3.779 1.00 0.00 H new ATOM 986 P G B 2 6.164 8.530 2.850 1.00 0.00 P ATOM 987 OP1 G B 2 6.800 9.600 2.053 1.00 0.00 O ATOM 988 OP2 G B 2 6.152 8.624 4.325 1.00 0.00 O ATOM 989 O5' G B 2 4.648 8.334 2.346 1.00 0.00 O ATOM 990 C5' G B 2 4.247 8.718 1.042 1.00 0.00 C ATOM 991 C4' G B 2 2.923 8.050 0.656 1.00 0.00 C ATOM 992 O4' G B 2 3.140 6.874 -0.111 1.00 0.00 O ATOM 993 C3' G B 2 2.081 7.634 1.861 1.00 0.00 C ATOM 994 O3' G B 2 1.340 8.698 2.404 1.00 0.00 O ATOM 995 C2' G B 2 1.195 6.573 1.227 1.00 0.00 C ATOM 996 O2' G B 2 0.145 7.148 0.482 1.00 0.00 O ATOM 997 C1' G B 2 2.154 5.914 0.239 1.00 0.00 C ATOM 998 N9 G B 2 2.818 4.759 0.868 1.00 0.00 N ATOM 999 C8 G B 2 3.698 4.725 1.923 1.00 0.00 C ATOM 1000 N7 G B 2 4.027 3.524 2.278 1.00 0.00 N ATOM 1001 C5 G B 2 3.395 2.700 1.358 1.00 0.00 C ATOM 1002 C6 G B 2 3.448 1.292 1.213 1.00 0.00 C ATOM 1003 O6 G B 2 4.057 0.482 1.896 1.00 0.00 O ATOM 1004 N1 G B 2 2.702 0.843 0.149 1.00 0.00 N ATOM 1005 C2 G B 2 1.959 1.653 -0.676 1.00 0.00 C ATOM 1006 N2 G B 2 1.273 1.049 -1.641 1.00 0.00 N ATOM 1007 N3 G B 2 1.901 2.986 -0.552 1.00 0.00 N ATOM 1008 C4 G B 2 2.649 3.446 0.482 1.00 0.00 C ATOM 0 H5' G B 2 5.020 8.443 0.324 1.00 0.00 H new ATOM 0 H5'' G B 2 4.139 9.802 0.995 1.00 0.00 H new ATOM 0 H4' G B 2 2.391 8.809 0.083 1.00 0.00 H new ATOM 0 H3' G B 2 2.663 7.288 2.715 1.00 0.00 H new ATOM 0 H2' G B 2 0.740 5.915 1.968 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.425 7.679 1.076 1.00 0.00 H new ATOM 0 H1' G B 2 1.606 5.571 -0.639 1.00 0.00 H new ATOM 0 H8 G B 2 4.078 5.612 2.408 1.00 0.00 H new ATOM 0 H1 G B 2 2.700 -0.159 -0.041 1.00 0.00 H new ATOM 0 H21 G B 2 0.704 1.600 -2.284 1.00 0.00 H new ATOM 0 H22 G B 2 1.316 0.035 -1.739 1.00 0.00 H new ATOM 1020 P G B 3 0.637 8.544 3.835 1.00 0.00 P ATOM 1021 OP1 G B 3 1.712 8.556 4.852 1.00 0.00 O ATOM 1022 OP2 G B 3 -0.306 7.411 3.785 1.00 0.00 O ATOM 1023 O5' G B 3 -0.200 9.909 3.982 1.00 0.00 O ATOM 1024 C5' G B 3 -1.472 10.087 3.379 1.00 0.00 C ATOM 1025 C4' G B 3 -1.431 9.878 1.862 1.00 0.00 C ATOM 1026 O4' G B 3 -1.857 8.556 1.559 1.00 0.00 O ATOM 1027 C3' G B 3 -2.386 10.841 1.152 1.00 0.00 C ATOM 1028 O3' G B 3 -1.771 11.291 -0.039 1.00 0.00 O ATOM 1029 C2' G B 3 -3.584 9.953 0.844 1.00 0.00 C ATOM 1030 O2' G B 3 -4.327 10.396 -0.274 1.00 0.00 O ATOM 1031 C1' G B 3 -2.864 8.639 0.572 1.00 0.00 C ATOM 1032 N9 G B 3 -3.785 7.486 0.581 1.00 0.00 N ATOM 1033 C8 G B 3 -4.065 6.641 -0.458 1.00 0.00 C ATOM 1034 N7 G B 3 -4.955 5.731 -0.186 1.00 0.00 N ATOM 1035 C5 G B 3 -5.300 5.989 1.141 1.00 0.00 C ATOM 1036 C6 G B 3 -6.216 5.320 2.008 1.00 0.00 C ATOM 1037 O6 G B 3 -6.933 4.350 1.773 1.00 0.00 O ATOM 1038 N1 G B 3 -6.255 5.897 3.268 1.00 0.00 N ATOM 1039 C2 G B 3 -5.508 6.983 3.659 1.00 0.00 C ATOM 1040 N2 G B 3 -5.677 7.401 4.909 1.00 0.00 N ATOM 1041 N3 G B 3 -4.647 7.619 2.857 1.00 0.00 N ATOM 1042 C4 G B 3 -4.587 7.065 1.620 1.00 0.00 C ATOM 0 H5' G B 3 -1.837 11.091 3.595 1.00 0.00 H new ATOM 0 H5'' G B 3 -2.182 9.388 3.821 1.00 0.00 H new ATOM 0 H4' G B 3 -0.410 10.055 1.525 1.00 0.00 H new ATOM 0 H3' G B 3 -2.656 11.727 1.727 1.00 0.00 H new ATOM 0 H2' G B 3 -4.337 9.918 1.631 1.00 0.00 H new ATOM 0 HO2' G B 3 -4.424 11.371 -0.237 1.00 0.00 H new ATOM 0 H1' G B 3 -2.430 8.613 -0.427 1.00 0.00 H new ATOM 0 H8 G B 3 -3.587 6.722 -1.423 1.00 0.00 H new ATOM 0 H1 G B 3 -6.885 5.485 3.956 1.00 0.00 H new ATOM 0 H21 G B 3 -5.149 8.203 5.254 1.00 0.00 H new ATOM 0 H22 G B 3 -6.335 6.920 5.523 1.00 0.00 H new ATOM 1054 P A B 4 -2.199 12.696 -0.685 1.00 0.00 P ATOM 1055 OP1 A B 4 -1.161 13.685 -0.324 1.00 0.00 O ATOM 1056 OP2 A B 4 -3.611 12.961 -0.326 1.00 0.00 O ATOM 1057 O5' A B 4 -2.138 12.448 -2.269 1.00 0.00 O ATOM 1058 C5' A B 4 -0.905 12.287 -2.935 1.00 0.00 C ATOM 1059 C4' A B 4 -1.063 12.419 -4.449 1.00 0.00 C ATOM 1060 O4' A B 4 -1.708 11.286 -5.009 1.00 0.00 O ATOM 1061 C3' A B 4 -1.919 13.638 -4.779 1.00 0.00 C ATOM 1062 O3' A B 4 -1.453 14.193 -5.996 1.00 0.00 O ATOM 1063 C2' A B 4 -3.316 13.045 -4.910 1.00 0.00 C ATOM 1064 O2' A B 4 -4.141 13.755 -5.811 1.00 0.00 O ATOM 1065 C1' A B 4 -3.024 11.636 -5.410 1.00 0.00 C ATOM 1066 N9 A B 4 -4.005 10.703 -4.840 1.00 0.00 N ATOM 1067 C8 A B 4 -4.113 10.289 -3.539 1.00 0.00 C ATOM 1068 N7 A B 4 -5.078 9.439 -3.326 1.00 0.00 N ATOM 1069 C5 A B 4 -5.669 9.299 -4.582 1.00 0.00 C ATOM 1070 C6 A B 4 -6.772 8.565 -5.049 1.00 0.00 C ATOM 1071 N6 A B 4 -7.508 7.758 -4.285 1.00 0.00 N ATOM 1072 N1 A B 4 -7.113 8.673 -6.339 1.00 0.00 N ATOM 1073 C2 A B 4 -6.404 9.473 -7.126 1.00 0.00 C ATOM 1074 N3 A B 4 -5.351 10.215 -6.821 1.00 0.00 N ATOM 1075 C4 A B 4 -5.033 10.078 -5.511 1.00 0.00 C ATOM 0 H5' A B 4 -0.487 11.309 -2.696 1.00 0.00 H new ATOM 0 H5'' A B 4 -0.196 13.033 -2.576 1.00 0.00 H new ATOM 0 H4' A B 4 -0.061 12.513 -4.866 1.00 0.00 H new ATOM 0 H3' A B 4 -1.892 14.442 -4.043 1.00 0.00 H new ATOM 0 H2' A B 4 -3.874 13.080 -3.974 1.00 0.00 H new ATOM 0 HO2' A B 4 -5.022 13.328 -5.854 1.00 0.00 H new ATOM 0 H1' A B 4 -3.097 11.589 -6.497 1.00 0.00 H new ATOM 0 H8 A B 4 -3.455 10.637 -2.757 1.00 0.00 H new ATOM 0 H61 A B 4 -8.297 7.253 -4.689 1.00 0.00 H new ATOM 0 H62 A B 4 -7.282 7.645 -3.297 1.00 0.00 H new ATOM 0 H2 A B 4 -6.730 9.526 -8.154 1.00 0.00 H new ATOM 1087 P G B 5 -1.706 15.728 -6.385 1.00 0.00 P ATOM 1088 OP1 G B 5 -1.856 16.514 -5.141 1.00 0.00 O ATOM 1089 OP2 G B 5 -2.766 15.783 -7.412 1.00 0.00 O ATOM 1090 O5' G B 5 -0.310 16.136 -7.066 1.00 0.00 O ATOM 1091 C5' G B 5 0.840 16.329 -6.266 1.00 0.00 C ATOM 1092 C4' G B 5 1.970 15.387 -6.675 1.00 0.00 C ATOM 1093 O4' G B 5 1.598 14.039 -6.432 1.00 0.00 O ATOM 1094 C3' G B 5 2.323 15.507 -8.156 1.00 0.00 C ATOM 1095 O3' G B 5 3.716 15.325 -8.300 1.00 0.00 O ATOM 1096 C2' G B 5 1.615 14.299 -8.744 1.00 0.00 C ATOM 1097 O2' G B 5 2.187 13.895 -9.974 1.00 0.00 O ATOM 1098 C1' G B 5 1.815 13.296 -7.616 1.00 0.00 C ATOM 1099 N9 G B 5 0.879 12.169 -7.747 1.00 0.00 N ATOM 1100 C8 G B 5 -0.460 12.194 -8.027 1.00 0.00 C ATOM 1101 N7 G B 5 -1.017 11.018 -8.107 1.00 0.00 N ATOM 1102 C5 G B 5 0.038 10.143 -7.842 1.00 0.00 C ATOM 1103 C6 G B 5 0.058 8.722 -7.782 1.00 0.00 C ATOM 1104 O6 G B 5 -0.872 7.934 -7.937 1.00 0.00 O ATOM 1105 N1 G B 5 1.323 8.225 -7.505 1.00 0.00 N ATOM 1106 C2 G B 5 2.443 9.001 -7.324 1.00 0.00 C ATOM 1107 N2 G B 5 3.582 8.355 -7.100 1.00 0.00 N ATOM 1108 N3 G B 5 2.439 10.335 -7.371 1.00 0.00 N ATOM 1109 C4 G B 5 1.203 10.838 -7.635 1.00 0.00 C ATOM 0 H5' G B 5 0.588 16.163 -5.219 1.00 0.00 H new ATOM 0 H5'' G B 5 1.176 17.362 -6.354 1.00 0.00 H new ATOM 0 H4' G B 5 2.836 15.673 -6.079 1.00 0.00 H new ATOM 0 H3' G B 5 2.049 16.458 -8.612 1.00 0.00 H new ATOM 0 H2' G B 5 0.570 14.454 -9.014 1.00 0.00 H new ATOM 0 HO2' G B 5 3.128 14.166 -10.002 1.00 0.00 H new ATOM 0 H1' G B 5 2.808 12.846 -7.624 1.00 0.00 H new ATOM 0 H8 G B 5 -1.010 13.112 -8.170 1.00 0.00 H new ATOM 0 H1 G B 5 1.430 7.213 -7.430 1.00 0.00 H new ATOM 0 H21 G B 5 4.446 8.878 -6.958 1.00 0.00 H new ATOM 0 H22 G B 5 3.593 7.336 -7.070 1.00 0.00 H new ATOM 1121 P A B 6 4.713 16.560 -8.140 1.00 0.00 P ATOM 1122 OP1 A B 6 5.954 16.082 -7.496 1.00 0.00 O ATOM 1123 OP2 A B 6 3.974 17.704 -7.557 1.00 0.00 O ATOM 1124 O5' A B 6 5.037 16.899 -9.672 1.00 0.00 O ATOM 1125 C5' A B 6 6.215 16.423 -10.293 1.00 0.00 C ATOM 1126 C4' A B 6 7.383 17.339 -9.925 1.00 0.00 C ATOM 1127 O4' A B 6 8.604 16.821 -10.425 1.00 0.00 O ATOM 1128 C3' A B 6 7.144 18.712 -10.544 1.00 0.00 C ATOM 1129 O3' A B 6 7.341 19.706 -9.561 1.00 0.00 O ATOM 1130 C2' A B 6 8.182 18.756 -11.663 1.00 0.00 C ATOM 1131 O2' A B 6 8.650 20.064 -11.934 1.00 0.00 O ATOM 1132 C1' A B 6 9.275 17.869 -11.100 1.00 0.00 C ATOM 1133 N9 A B 6 10.159 17.338 -12.156 1.00 0.00 N ATOM 1134 C8 A B 6 9.842 16.570 -13.246 1.00 0.00 C ATOM 1135 N7 A B 6 10.861 16.269 -14.004 1.00 0.00 N ATOM 1136 C5 A B 6 11.933 16.895 -13.372 1.00 0.00 C ATOM 1137 C6 A B 6 13.307 16.981 -13.662 1.00 0.00 C ATOM 1138 N6 A B 6 13.879 16.408 -14.720 1.00 0.00 N ATOM 1139 N1 A B 6 14.092 17.675 -12.825 1.00 0.00 N ATOM 1140 C2 A B 6 13.550 18.255 -11.766 1.00 0.00 C ATOM 1141 N3 A B 6 12.280 18.254 -11.383 1.00 0.00 N ATOM 1142 C4 A B 6 11.516 17.541 -12.242 1.00 0.00 C ATOM 0 H5' A B 6 6.085 16.397 -11.375 1.00 0.00 H new ATOM 0 H5'' A B 6 6.423 15.402 -9.972 1.00 0.00 H new ATOM 0 H4' A B 6 7.447 17.409 -8.839 1.00 0.00 H new ATOM 0 H3' A B 6 6.137 18.885 -10.925 1.00 0.00 H new ATOM 0 H2' A B 6 7.790 18.429 -12.626 1.00 0.00 H new ATOM 0 HO2' A B 6 9.312 20.032 -12.656 1.00 0.00 H new ATOM 0 H1' A B 6 9.927 18.432 -10.433 1.00 0.00 H new ATOM 0 H8 A B 6 8.835 16.242 -13.459 1.00 0.00 H new ATOM 0 H61 A B 6 14.882 16.508 -14.874 1.00 0.00 H new ATOM 0 H62 A B 6 13.314 15.869 -15.376 1.00 0.00 H new ATOM 0 H2 A B 6 14.231 18.801 -11.130 1.00 0.00 H new ATOM 1154 P U B 7 6.742 21.180 -9.764 1.00 0.00 P ATOM 1155 OP1 U B 7 5.752 21.420 -8.692 1.00 0.00 O ATOM 1156 OP2 U B 7 6.339 21.329 -11.180 1.00 0.00 O ATOM 1157 O5' U B 7 8.014 22.132 -9.524 1.00 0.00 O ATOM 1158 C5' U B 7 8.191 22.825 -8.309 1.00 0.00 C ATOM 1159 C4' U B 7 9.423 23.738 -8.363 1.00 0.00 C ATOM 1160 O4' U B 7 10.556 23.074 -7.820 1.00 0.00 O ATOM 1161 C3' U B 7 9.793 24.111 -9.796 1.00 0.00 C ATOM 1162 O3' U B 7 10.542 25.313 -9.799 1.00 0.00 O ATOM 1163 C2' U B 7 10.682 22.942 -10.189 1.00 0.00 C ATOM 1164 O2' U B 7 11.564 23.297 -11.235 1.00 0.00 O ATOM 1165 C1' U B 7 11.407 22.657 -8.877 1.00 0.00 C ATOM 1166 N1 U B 7 11.762 21.232 -8.719 1.00 0.00 N ATOM 1167 C2 U B 7 13.106 20.893 -8.738 1.00 0.00 C ATOM 1168 O2 U B 7 13.995 21.718 -8.926 1.00 0.00 O ATOM 1169 N3 U B 7 13.406 19.558 -8.527 1.00 0.00 N ATOM 1170 C4 U B 7 12.494 18.545 -8.311 1.00 0.00 C ATOM 1171 O4 U B 7 12.878 17.395 -8.106 1.00 0.00 O ATOM 1172 C5 U B 7 11.117 18.978 -8.348 1.00 0.00 C ATOM 1173 C6 U B 7 10.791 20.280 -8.548 1.00 0.00 C ATOM 0 H5' U B 7 8.300 22.111 -7.493 1.00 0.00 H new ATOM 0 H5'' U B 7 7.303 23.420 -8.095 1.00 0.00 H new ATOM 0 H4' U B 7 9.165 24.631 -7.794 1.00 0.00 H new ATOM 0 H3' U B 7 8.942 24.272 -10.458 1.00 0.00 H new ATOM 0 H2' U B 7 10.148 22.077 -10.582 1.00 0.00 H new ATOM 0 HO2' U B 7 12.124 22.527 -11.466 1.00 0.00 H new ATOM 0 HO3' U B 7 11.292 25.230 -10.424 1.00 0.00 H new ATOM 0 H1' U B 7 12.350 23.204 -8.868 1.00 0.00 H new ATOM 0 H3 U B 7 14.393 19.299 -8.532 1.00 0.00 H new ATOM 0 H5 U B 7 10.330 18.251 -8.214 1.00 0.00 H new ATOM 0 H6 U B 7 9.751 20.570 -8.573 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -3.121 2.177 -10.957 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.898 -3.941 6.515 1.00 0.00 ZN