USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=21 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+ 162:sc= 0.373 (180deg=-0.251) USER MOD Set 1.2: B 4 A O2' : rot 180:sc= 0.512 USER MOD Set 2.1: A 135 LYS NZ :NH3+ 160:sc= -0.046 (180deg=-0.686) USER MOD Set 2.2: A 148 HIS : no HD1:sc= -0.0504 X(o=0.13,f=0.14) USER MOD Set 2.3: B 5 G O2' : rot 18:sc= 0.223 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 K(o=0,f=-0.82) 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 140 TYR OH : rot -105:sc= 0.229 USER MOD Single : A 141 ASN : amide:sc= -0.726 X(o=-0.73,f=-0.8) USER MOD Single : A 153 LYS NZ :NH3+ 162:sc= -0.0326 (180deg=-0.377) USER MOD Single : A 157 GLN : amide:sc= 0.886 K(o=0.89,f=-0.00053) USER MOD Single : A 159 LYS NZ :NH3+ 145:sc= 1.27 (180deg=-0.254) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -0.207 K(o=-0.21,f=-5!) USER MOD Single : A 165 GLN : amide:sc= -1.44! C(o=-1.4!,f=-1.4!) USER MOD Single : A 166 SER OG : rot 119:sc= 1.18 USER MOD Single : A 168 SER OG : rot 180:sc= -0.372 USER MOD Single : A 170 MET CE :methyl 180:sc= -2.13 (180deg=-2.13) USER MOD Single : A 173 SER OG : rot -52:sc= 0.00772 USER MOD Single : A 177 LYS NZ :NH3+ -157:sc= 1.15 (180deg=0.833) USER MOD Single : A 179 GLN : amide:sc= -0.356 K(o=-0.36,f=-1.4!) USER MOD Single : A 180 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 183 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 185 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : B 1 A O2' : rot 44:sc= -1.21 USER MOD Single : B 1 A O5' : rot 130:sc= -0.0347 USER MOD Single : B 2 G O2' : rot 47:sc= 0.21 USER MOD Single : B 3 G O2' : rot 9:sc= 0.209 USER MOD Single : B 6 A O2' : rot 84:sc= 1.32 USER MOD Single : B 7 U O2' : rot 180:sc= 0 USER MOD Single : B 7 U O3' : rot 138:sc= 0.0857 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 22.382 2.914 20.954 1.00 0.00 N ATOM 2 CA PRO A 124 21.996 3.689 19.770 1.00 0.00 C ATOM 3 C PRO A 124 20.493 3.642 19.508 1.00 0.00 C ATOM 4 O PRO A 124 19.811 2.721 19.952 1.00 0.00 O ATOM 5 CB PRO A 124 22.806 3.112 18.611 1.00 0.00 C ATOM 6 CG PRO A 124 24.114 2.670 19.277 1.00 0.00 C ATOM 7 CD PRO A 124 23.836 2.794 20.775 1.00 0.00 C ATOM 0 HA PRO A 124 22.212 4.748 19.909 1.00 0.00 H new ATOM 0 HB2 PRO A 124 22.292 2.274 18.139 1.00 0.00 H new ATOM 0 HB3 PRO A 124 22.982 3.856 17.834 1.00 0.00 H new ATOM 0 HG2 PRO A 124 24.374 1.647 19.004 1.00 0.00 H new ATOM 0 HG3 PRO A 124 24.948 3.302 18.974 1.00 0.00 H new ATOM 0 HD2 PRO A 124 24.216 1.922 21.307 1.00 0.00 H new ATOM 0 HD3 PRO A 124 24.345 3.665 21.187 1.00 0.00 H new ATOM 15 N LYS A 125 19.986 4.643 18.780 1.00 0.00 N ATOM 16 CA LYS A 125 18.567 4.777 18.465 1.00 0.00 C ATOM 17 C LYS A 125 18.376 5.378 17.073 1.00 0.00 C ATOM 18 O LYS A 125 17.248 5.488 16.596 1.00 0.00 O ATOM 19 CB LYS A 125 17.925 5.652 19.551 1.00 0.00 C ATOM 20 CG LYS A 125 16.403 5.803 19.443 1.00 0.00 C ATOM 21 CD LYS A 125 15.675 4.467 19.577 1.00 0.00 C ATOM 22 CE LYS A 125 14.169 4.691 19.448 1.00 0.00 C ATOM 23 NZ LYS A 125 13.419 3.440 19.651 1.00 0.00 N ATOM 0 H LYS A 125 20.560 5.390 18.390 1.00 0.00 H new ATOM 0 HA LYS A 125 18.086 3.799 18.451 1.00 0.00 H new ATOM 0 HB2 LYS A 125 18.165 5.229 20.527 1.00 0.00 H new ATOM 0 HB3 LYS A 125 18.377 6.643 19.513 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.052 6.484 20.218 1.00 0.00 H new ATOM 0 HG3 LYS A 125 16.153 6.256 18.484 1.00 0.00 H new ATOM 0 HD2 LYS A 125 16.018 3.775 18.807 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.904 4.011 20.540 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.846 5.433 20.179 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.943 5.096 18.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.400 3.627 19.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 13.710 2.741 18.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 13.616 3.067 20.602 1.00 0.00 H new ATOM 37 N GLY A 126 19.463 5.779 16.406 1.00 0.00 N ATOM 38 CA GLY A 126 19.375 6.371 15.082 1.00 0.00 C ATOM 39 C GLY A 126 20.742 6.688 14.499 1.00 0.00 C ATOM 40 O GLY A 126 21.774 6.390 15.102 1.00 0.00 O ATOM 0 H GLY A 126 20.413 5.701 16.769 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.848 5.688 14.416 1.00 0.00 H new ATOM 0 HA3 GLY A 126 18.784 7.285 15.134 1.00 0.00 H new ATOM 44 N LYS A 127 20.746 7.297 13.311 1.00 0.00 N ATOM 45 CA LYS A 127 21.955 7.645 12.577 1.00 0.00 C ATOM 46 C LYS A 127 21.733 8.928 11.789 1.00 0.00 C ATOM 47 O LYS A 127 20.610 9.436 11.716 1.00 0.00 O ATOM 48 CB LYS A 127 22.316 6.523 11.600 1.00 0.00 C ATOM 49 CG LYS A 127 22.591 5.201 12.324 1.00 0.00 C ATOM 50 CD LYS A 127 22.924 4.126 11.295 1.00 0.00 C ATOM 51 CE LYS A 127 23.137 2.795 12.004 1.00 0.00 C ATOM 52 NZ LYS A 127 23.411 1.726 11.033 1.00 0.00 N ATOM 0 H LYS A 127 19.889 7.565 12.827 1.00 0.00 H new ATOM 0 HA LYS A 127 22.766 7.786 13.291 1.00 0.00 H new ATOM 0 HB2 LYS A 127 21.501 6.385 10.889 1.00 0.00 H new ATOM 0 HB3 LYS A 127 23.196 6.812 11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 127 23.418 5.321 13.023 1.00 0.00 H new ATOM 0 HG3 LYS A 127 21.720 4.905 12.909 1.00 0.00 H new ATOM 0 HD2 LYS A 127 22.115 4.039 10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 127 23.821 4.403 10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 127 23.969 2.879 12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 127 22.252 2.543 12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 23.553 0.827 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 22.606 1.634 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 24.268 1.959 10.493 1.00 0.00 H new ATOM 66 N SER A 128 22.802 9.458 11.194 1.00 0.00 N ATOM 67 CA SER A 128 22.706 10.637 10.352 1.00 0.00 C ATOM 68 C SER A 128 21.848 10.326 9.126 1.00 0.00 C ATOM 69 O SER A 128 21.778 9.182 8.684 1.00 0.00 O ATOM 70 CB SER A 128 24.106 11.059 9.924 1.00 0.00 C ATOM 71 OG SER A 128 24.872 11.398 11.059 1.00 0.00 O ATOM 0 H SER A 128 23.746 9.083 11.284 1.00 0.00 H new ATOM 0 HA SER A 128 22.239 11.451 10.907 1.00 0.00 H new ATOM 0 HB2 SER A 128 24.589 10.249 9.377 1.00 0.00 H new ATOM 0 HB3 SER A 128 24.048 11.911 9.246 1.00 0.00 H new ATOM 0 HG SER A 128 25.772 11.667 10.778 1.00 0.00 H new ATOM 77 N MET A 129 21.193 11.348 8.577 1.00 0.00 N ATOM 78 CA MET A 129 20.292 11.173 7.450 1.00 0.00 C ATOM 79 C MET A 129 20.039 12.497 6.736 1.00 0.00 C ATOM 80 O MET A 129 20.569 13.534 7.130 1.00 0.00 O ATOM 81 CB MET A 129 18.976 10.579 7.960 1.00 0.00 C ATOM 82 CG MET A 129 18.282 11.523 8.941 1.00 0.00 C ATOM 83 SD MET A 129 16.772 10.840 9.659 1.00 0.00 S ATOM 84 CE MET A 129 16.332 12.241 10.719 1.00 0.00 C ATOM 0 H MET A 129 21.274 12.312 8.901 1.00 0.00 H new ATOM 0 HA MET A 129 20.749 10.496 6.728 1.00 0.00 H new ATOM 0 HB2 MET A 129 18.315 10.378 7.117 1.00 0.00 H new ATOM 0 HB3 MET A 129 19.171 9.624 8.448 1.00 0.00 H new ATOM 0 HG2 MET A 129 18.975 11.772 9.744 1.00 0.00 H new ATOM 0 HG3 MET A 129 18.041 12.454 8.427 1.00 0.00 H new ATOM 0 HE1 MET A 129 15.412 12.015 11.258 1.00 0.00 H new ATOM 0 HE2 MET A 129 17.135 12.423 11.433 1.00 0.00 H new ATOM 0 HE3 MET A 129 16.184 13.129 10.105 1.00 0.00 H new ATOM 94 N GLN A 130 19.219 12.446 5.683 1.00 0.00 N ATOM 95 CA GLN A 130 18.806 13.606 4.910 1.00 0.00 C ATOM 96 C GLN A 130 17.339 13.448 4.516 1.00 0.00 C ATOM 97 O GLN A 130 16.729 12.416 4.794 1.00 0.00 O ATOM 98 CB GLN A 130 19.680 13.734 3.661 1.00 0.00 C ATOM 99 CG GLN A 130 21.123 14.101 4.020 1.00 0.00 C ATOM 100 CD GLN A 130 21.962 14.382 2.782 1.00 0.00 C ATOM 101 OE1 GLN A 130 21.502 14.221 1.653 1.00 0.00 O ATOM 102 NE2 GLN A 130 23.203 14.807 2.982 1.00 0.00 N ATOM 0 H GLN A 130 18.818 11.573 5.341 1.00 0.00 H new ATOM 0 HA GLN A 130 18.922 14.509 5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 130 19.669 12.793 3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 130 19.264 14.495 3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 130 21.124 14.979 4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 130 21.574 13.287 4.587 1.00 0.00 H new ATOM 0 HE21 GLN A 130 23.553 14.930 3.932 1.00 0.00 H new ATOM 0 HE22 GLN A 130 23.807 15.011 2.186 1.00 0.00 H new ATOM 111 N LYS A 131 16.776 14.470 3.870 1.00 0.00 N ATOM 112 CA LYS A 131 15.399 14.441 3.401 1.00 0.00 C ATOM 113 C LYS A 131 15.295 15.242 2.110 1.00 0.00 C ATOM 114 O LYS A 131 15.997 16.236 1.929 1.00 0.00 O ATOM 115 CB LYS A 131 14.485 15.024 4.485 1.00 0.00 C ATOM 116 CG LYS A 131 13.017 15.150 4.045 1.00 0.00 C ATOM 117 CD LYS A 131 12.333 13.805 3.796 1.00 0.00 C ATOM 118 CE LYS A 131 12.113 13.059 5.112 1.00 0.00 C ATOM 119 NZ LYS A 131 11.484 11.748 4.880 1.00 0.00 N ATOM 0 H LYS A 131 17.266 15.339 3.659 1.00 0.00 H new ATOM 0 HA LYS A 131 15.087 13.416 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 131 14.538 14.393 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 131 14.856 16.008 4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.463 15.693 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.970 15.746 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 131 11.376 13.964 3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 131 12.944 13.199 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 131 13.068 12.923 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 131 11.483 13.656 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.346 11.263 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.563 11.882 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.098 11.171 4.270 1.00 0.00 H new ATOM 133 N ARG A 132 14.417 14.800 1.212 1.00 0.00 N ATOM 134 CA ARG A 132 14.185 15.430 -0.082 1.00 0.00 C ATOM 135 C ARG A 132 12.694 15.404 -0.374 1.00 0.00 C ATOM 136 O ARG A 132 11.934 14.751 0.336 1.00 0.00 O ATOM 137 CB ARG A 132 14.948 14.671 -1.167 1.00 0.00 C ATOM 138 CG ARG A 132 16.470 14.770 -1.021 1.00 0.00 C ATOM 139 CD ARG A 132 16.947 16.195 -1.301 1.00 0.00 C ATOM 140 NE ARG A 132 18.414 16.261 -1.290 1.00 0.00 N ATOM 141 CZ ARG A 132 19.161 16.459 -0.198 1.00 0.00 C ATOM 142 NH1 ARG A 132 18.600 16.635 0.995 1.00 0.00 N ATOM 143 NH2 ARG A 132 20.487 16.482 -0.296 1.00 0.00 N ATOM 0 H ARG A 132 13.836 13.977 1.369 1.00 0.00 H new ATOM 0 HA ARG A 132 14.537 16.461 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 132 14.655 13.621 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 132 14.658 15.058 -2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.764 14.474 -0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 132 16.953 14.077 -1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 132 16.570 16.527 -2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 132 16.541 16.874 -0.551 1.00 0.00 H new ATOM 0 HE ARG A 132 18.899 16.148 -2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 132 17.584 16.620 1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 132 19.185 16.785 1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 132 20.934 16.349 -1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 132 21.057 16.633 0.536 1.00 0.00 H new ATOM 157 N ARG A 133 12.271 16.107 -1.428 1.00 0.00 N ATOM 158 CA ARG A 133 10.874 16.145 -1.838 1.00 0.00 C ATOM 159 C ARG A 133 10.480 14.889 -2.602 1.00 0.00 C ATOM 160 O ARG A 133 9.430 14.857 -3.243 1.00 0.00 O ATOM 161 CB ARG A 133 10.616 17.409 -2.662 1.00 0.00 C ATOM 162 CG ARG A 133 10.918 18.669 -1.854 1.00 0.00 C ATOM 163 CD ARG A 133 10.002 18.754 -0.633 1.00 0.00 C ATOM 164 NE ARG A 133 10.285 19.942 0.172 1.00 0.00 N ATOM 165 CZ ARG A 133 9.378 20.549 0.943 1.00 0.00 C ATOM 166 NH1 ARG A 133 8.132 20.084 1.016 1.00 0.00 N ATOM 167 NH2 ARG A 133 9.725 21.623 1.642 1.00 0.00 N ATOM 0 H ARG A 133 12.890 16.664 -2.017 1.00 0.00 H new ATOM 0 HA ARG A 133 10.249 16.175 -0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.234 17.393 -3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 133 9.577 17.426 -2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.960 18.662 -1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.782 19.551 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 133 8.962 18.774 -0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.127 17.861 -0.021 1.00 0.00 H new ATOM 0 HE ARG A 133 11.228 20.329 0.143 1.00 0.00 H new ATOM 0 HH11 ARG A 133 7.864 19.258 0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 133 7.446 20.554 1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 133 10.679 21.980 1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 133 9.038 22.091 2.232 1.00 0.00 H new ATOM 181 N SER A 134 11.325 13.857 -2.537 1.00 0.00 N ATOM 182 CA SER A 134 11.128 12.606 -3.255 1.00 0.00 C ATOM 183 C SER A 134 9.733 12.055 -3.007 1.00 0.00 C ATOM 184 O SER A 134 9.297 11.950 -1.857 1.00 0.00 O ATOM 185 CB SER A 134 12.181 11.596 -2.799 1.00 0.00 C ATOM 186 OG SER A 134 13.479 12.110 -3.000 1.00 0.00 O ATOM 0 H SER A 134 12.176 13.872 -1.975 1.00 0.00 H new ATOM 0 HA SER A 134 11.233 12.790 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 134 12.036 11.362 -1.744 1.00 0.00 H new ATOM 0 HB3 SER A 134 12.063 10.664 -3.352 1.00 0.00 H new ATOM 0 HG SER A 134 14.141 11.452 -2.702 1.00 0.00 H new ATOM 192 N LYS A 135 9.026 11.705 -4.081 1.00 0.00 N ATOM 193 CA LYS A 135 7.667 11.196 -3.989 1.00 0.00 C ATOM 194 C LYS A 135 7.678 9.805 -3.373 1.00 0.00 C ATOM 195 O LYS A 135 6.866 9.513 -2.499 1.00 0.00 O ATOM 196 CB LYS A 135 7.066 11.213 -5.388 1.00 0.00 C ATOM 197 CG LYS A 135 5.550 11.019 -5.387 1.00 0.00 C ATOM 198 CD LYS A 135 5.007 11.386 -6.772 1.00 0.00 C ATOM 199 CE LYS A 135 5.521 10.406 -7.823 1.00 0.00 C ATOM 200 NZ LYS A 135 5.234 10.865 -9.194 1.00 0.00 N ATOM 0 H LYS A 135 9.382 11.768 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 135 7.051 11.818 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 135 7.305 12.161 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 135 7.527 10.427 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.301 9.986 -5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 135 5.089 11.645 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 135 3.917 11.374 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 135 5.311 12.400 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 135 6.596 10.276 -7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 135 5.062 9.430 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 5.867 10.381 -9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 4.246 10.647 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 5.386 11.892 -9.255 1.00 0.00 H new ATOM 214 N GLY A 136 8.592 8.946 -3.829 1.00 0.00 N ATOM 215 CA GLY A 136 8.861 7.659 -3.202 1.00 0.00 C ATOM 216 C GLY A 136 7.649 6.733 -3.129 1.00 0.00 C ATOM 217 O GLY A 136 7.593 5.885 -2.243 1.00 0.00 O ATOM 0 H GLY A 136 9.168 9.129 -4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.655 7.157 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 136 9.235 7.830 -2.192 1.00 0.00 H new ATOM 221 N ASP A 137 6.676 6.877 -4.033 1.00 0.00 N ATOM 222 CA ASP A 137 5.438 6.120 -3.938 1.00 0.00 C ATOM 223 C ASP A 137 5.010 5.546 -5.297 1.00 0.00 C ATOM 224 O ASP A 137 5.757 5.611 -6.272 1.00 0.00 O ATOM 225 CB ASP A 137 4.351 7.000 -3.312 1.00 0.00 C ATOM 226 CG ASP A 137 3.498 6.196 -2.338 1.00 0.00 C ATOM 227 OD1 ASP A 137 2.870 5.209 -2.789 1.00 0.00 O ATOM 228 OD2 ASP A 137 3.478 6.580 -1.149 1.00 0.00 O ATOM 0 H ASP A 137 6.727 7.509 -4.832 1.00 0.00 H new ATOM 0 HA ASP A 137 5.601 5.258 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.812 7.840 -2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 137 3.719 7.418 -4.096 1.00 0.00 H new ATOM 233 N ARG A 138 3.804 4.978 -5.346 1.00 0.00 N ATOM 234 CA ARG A 138 3.284 4.225 -6.484 1.00 0.00 C ATOM 235 C ARG A 138 1.822 4.590 -6.744 1.00 0.00 C ATOM 236 O ARG A 138 1.243 5.379 -5.996 1.00 0.00 O ATOM 237 CB ARG A 138 3.435 2.733 -6.149 1.00 0.00 C ATOM 238 CG ARG A 138 4.899 2.303 -6.257 1.00 0.00 C ATOM 239 CD ARG A 138 5.101 0.886 -5.731 1.00 0.00 C ATOM 240 NE ARG A 138 6.532 0.589 -5.622 1.00 0.00 N ATOM 241 CZ ARG A 138 7.072 -0.301 -4.785 1.00 0.00 C ATOM 242 NH1 ARG A 138 6.320 -1.042 -3.979 1.00 0.00 N ATOM 243 NH2 ARG A 138 8.391 -0.454 -4.753 1.00 0.00 N ATOM 0 H ARG A 138 3.144 5.032 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 138 3.836 4.463 -7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.068 2.542 -5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.825 2.138 -6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.220 2.356 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.526 2.995 -5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.624 0.780 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.623 0.170 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 138 7.166 1.103 -6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 138 5.305 -0.938 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 138 6.757 -1.715 -3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.984 0.106 -5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.811 -1.132 -4.116 1.00 0.00 H new ATOM 257 N CYS A 139 1.228 4.018 -7.795 1.00 0.00 N ATOM 258 CA CYS A 139 -0.182 4.174 -8.139 1.00 0.00 C ATOM 259 C CYS A 139 -1.039 4.027 -6.888 1.00 0.00 C ATOM 260 O CYS A 139 -1.117 2.951 -6.303 1.00 0.00 O ATOM 261 CB CYS A 139 -0.534 3.138 -9.213 1.00 0.00 C ATOM 262 SG CYS A 139 -2.325 2.912 -9.345 1.00 0.00 S ATOM 0 H CYS A 139 1.732 3.417 -8.447 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.378 5.168 -8.542 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.134 3.458 -10.175 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.062 2.186 -8.972 1.00 0.00 H new ATOM 267 N TYR A 140 -1.684 5.124 -6.480 1.00 0.00 N ATOM 268 CA TYR A 140 -2.520 5.164 -5.293 1.00 0.00 C ATOM 269 C TYR A 140 -3.812 4.370 -5.458 1.00 0.00 C ATOM 270 O TYR A 140 -4.699 4.464 -4.608 1.00 0.00 O ATOM 271 CB TYR A 140 -2.809 6.620 -4.940 1.00 0.00 C ATOM 272 CG TYR A 140 -1.567 7.382 -4.540 1.00 0.00 C ATOM 273 CD1 TYR A 140 -0.742 6.878 -3.525 1.00 0.00 C ATOM 274 CD2 TYR A 140 -1.244 8.587 -5.176 1.00 0.00 C ATOM 275 CE1 TYR A 140 0.420 7.574 -3.158 1.00 0.00 C ATOM 276 CE2 TYR A 140 -0.090 9.293 -4.806 1.00 0.00 C ATOM 277 CZ TYR A 140 0.753 8.787 -3.795 1.00 0.00 C ATOM 278 OH TYR A 140 1.883 9.456 -3.446 1.00 0.00 O ATOM 0 H TYR A 140 -1.635 6.015 -6.975 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.978 4.686 -4.477 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -3.272 7.112 -5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.530 6.655 -4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -1.000 5.956 -3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.886 8.974 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 140 1.062 7.179 -2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.153 10.224 -5.296 1.00 0.00 H new ATOM 0 HH TYR A 140 1.646 10.242 -2.911 1.00 0.00 H new ATOM 288 N ASN A 141 -3.938 3.592 -6.539 1.00 0.00 N ATOM 289 CA ASN A 141 -5.133 2.807 -6.781 1.00 0.00 C ATOM 290 C ASN A 141 -4.822 1.309 -6.808 1.00 0.00 C ATOM 291 O ASN A 141 -5.689 0.517 -6.462 1.00 0.00 O ATOM 292 CB ASN A 141 -5.761 3.263 -8.098 1.00 0.00 C ATOM 293 CG ASN A 141 -7.110 2.606 -8.342 1.00 0.00 C ATOM 294 OD1 ASN A 141 -8.141 3.174 -7.990 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.121 1.421 -8.941 1.00 0.00 N ATOM 0 H ASN A 141 -3.219 3.496 -7.257 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.839 2.966 -5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.882 4.346 -8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.088 3.026 -8.922 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.007 0.950 -9.124 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.243 0.982 -9.218 1.00 0.00 H new ATOM 302 N CYS A 142 -3.611 0.920 -7.218 1.00 0.00 N ATOM 303 CA CYS A 142 -3.220 -0.480 -7.240 1.00 0.00 C ATOM 304 C CYS A 142 -1.946 -0.735 -6.438 1.00 0.00 C ATOM 305 O CYS A 142 -1.841 -1.724 -5.712 1.00 0.00 O ATOM 306 CB CYS A 142 -3.103 -0.932 -8.691 1.00 0.00 C ATOM 307 SG CYS A 142 -1.551 -0.395 -9.426 1.00 0.00 S ATOM 0 H CYS A 142 -2.887 1.563 -7.539 1.00 0.00 H new ATOM 0 HA CYS A 142 -3.988 -1.077 -6.748 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.174 -2.019 -8.742 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -3.937 -0.531 -9.266 1.00 0.00 H new ATOM 312 N GLY A 143 -0.983 0.180 -6.589 1.00 0.00 N ATOM 313 CA GLY A 143 0.318 0.081 -5.948 1.00 0.00 C ATOM 314 C GLY A 143 1.421 -0.205 -6.967 1.00 0.00 C ATOM 315 O GLY A 143 2.486 -0.685 -6.588 1.00 0.00 O ATOM 0 H GLY A 143 -1.092 1.014 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.538 1.010 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 143 0.297 -0.711 -5.200 1.00 0.00 H new ATOM 319 N GLY A 144 1.178 0.079 -8.255 1.00 0.00 N ATOM 320 CA GLY A 144 2.140 -0.153 -9.323 1.00 0.00 C ATOM 321 C GLY A 144 3.003 1.080 -9.584 1.00 0.00 C ATOM 322 O GLY A 144 2.692 2.166 -9.110 1.00 0.00 O ATOM 0 H GLY A 144 0.298 0.480 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.779 -0.996 -9.060 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.611 -0.427 -10.236 1.00 0.00 H new ATOM 326 N LEU A 145 4.095 0.928 -10.335 1.00 0.00 N ATOM 327 CA LEU A 145 5.086 1.990 -10.458 1.00 0.00 C ATOM 328 C LEU A 145 5.200 2.497 -11.881 1.00 0.00 C ATOM 329 O LEU A 145 5.661 3.614 -12.108 1.00 0.00 O ATOM 330 CB LEU A 145 6.471 1.521 -9.990 1.00 0.00 C ATOM 331 CG LEU A 145 6.662 0.003 -9.989 1.00 0.00 C ATOM 332 CD1 LEU A 145 8.151 -0.321 -9.978 1.00 0.00 C ATOM 333 CD2 LEU A 145 6.053 -0.598 -8.724 1.00 0.00 C ATOM 0 H LEU A 145 4.312 0.083 -10.864 1.00 0.00 H new ATOM 0 HA LEU A 145 4.740 2.802 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 145 7.228 1.969 -10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.646 1.897 -8.982 1.00 0.00 H new ATOM 0 HG LEU A 145 6.180 -0.407 -10.876 1.00 0.00 H new ATOM 0 HD11 LEU A 145 8.288 -1.402 -9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 145 8.622 0.104 -10.864 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.609 0.103 -9.085 1.00 0.00 H new ATOM 0 HD21 LEU A 145 6.193 -1.679 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 145 6.543 -0.174 -7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.988 -0.370 -8.690 1.00 0.00 H new ATOM 345 N ASP A 146 4.779 1.683 -12.843 1.00 0.00 N ATOM 346 CA ASP A 146 4.875 2.011 -14.253 1.00 0.00 C ATOM 347 C ASP A 146 3.754 2.971 -14.670 1.00 0.00 C ATOM 348 O ASP A 146 3.678 3.374 -15.828 1.00 0.00 O ATOM 349 CB ASP A 146 4.824 0.690 -15.022 1.00 0.00 C ATOM 350 CG ASP A 146 4.917 0.879 -16.528 1.00 0.00 C ATOM 351 OD1 ASP A 146 5.953 1.423 -16.977 1.00 0.00 O ATOM 352 OD2 ASP A 146 3.953 0.485 -17.216 1.00 0.00 O ATOM 0 H ASP A 146 4.359 0.771 -12.661 1.00 0.00 H new ATOM 0 HA ASP A 146 5.807 2.531 -14.474 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.642 0.050 -14.690 1.00 0.00 H new ATOM 0 HB3 ASP A 146 3.896 0.171 -14.782 1.00 0.00 H new ATOM 357 N HIS A 147 2.879 3.339 -13.731 1.00 0.00 N ATOM 358 CA HIS A 147 1.735 4.206 -13.991 1.00 0.00 C ATOM 359 C HIS A 147 1.281 4.909 -12.707 1.00 0.00 C ATOM 360 O HIS A 147 1.956 4.836 -11.680 1.00 0.00 O ATOM 361 CB HIS A 147 0.593 3.351 -14.549 1.00 0.00 C ATOM 362 CG HIS A 147 0.147 2.293 -13.580 1.00 0.00 C ATOM 363 ND1 HIS A 147 0.753 1.076 -13.335 1.00 0.00 N ATOM 364 CD2 HIS A 147 -0.944 2.366 -12.761 1.00 0.00 C ATOM 365 CE1 HIS A 147 0.050 0.449 -12.379 1.00 0.00 C ATOM 366 NE2 HIS A 147 -1.007 1.192 -12.007 1.00 0.00 N ATOM 0 H HIS A 147 2.949 3.038 -12.759 1.00 0.00 H new ATOM 0 HA HIS A 147 2.020 4.973 -14.711 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -0.252 3.994 -14.796 1.00 0.00 H new ATOM 0 HB3 HIS A 147 0.916 2.878 -15.477 1.00 0.00 H new ATOM 0 HD1 HIS A 147 1.588 0.717 -13.799 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -1.639 3.191 -12.706 1.00 0.00 H new ATOM 0 HE1 HIS A 147 0.299 -0.517 -11.966 1.00 0.00 H new ATOM 374 N HIS A 148 0.129 5.586 -12.765 1.00 0.00 N ATOM 375 CA HIS A 148 -0.452 6.283 -11.627 1.00 0.00 C ATOM 376 C HIS A 148 -1.933 5.930 -11.485 1.00 0.00 C ATOM 377 O HIS A 148 -2.511 5.316 -12.375 1.00 0.00 O ATOM 378 CB HIS A 148 -0.272 7.791 -11.801 1.00 0.00 C ATOM 379 CG HIS A 148 1.170 8.223 -11.734 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.808 9.040 -12.670 1.00 0.00 N ATOM 381 CD2 HIS A 148 2.055 7.876 -10.757 1.00 0.00 C ATOM 382 CE1 HIS A 148 3.072 9.162 -12.229 1.00 0.00 C ATOM 383 NE2 HIS A 148 3.247 8.470 -11.091 1.00 0.00 N ATOM 0 H HIS A 148 -0.428 5.662 -13.616 1.00 0.00 H new ATOM 0 HA HIS A 148 0.060 5.969 -10.717 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -0.692 8.093 -12.760 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -0.838 8.311 -11.028 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.858 7.258 -9.894 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.841 9.738 -12.722 1.00 0.00 H new ATOM 0 HE2 HIS A 148 4.118 8.398 -10.564 1.00 0.00 H new ATOM 391 N ALA A 149 -2.545 6.317 -10.366 1.00 0.00 N ATOM 392 CA ALA A 149 -3.916 5.941 -10.034 1.00 0.00 C ATOM 393 C ALA A 149 -4.922 6.385 -11.091 1.00 0.00 C ATOM 394 O ALA A 149 -5.951 5.735 -11.277 1.00 0.00 O ATOM 395 CB ALA A 149 -4.264 6.565 -8.684 1.00 0.00 C ATOM 0 H ALA A 149 -2.099 6.904 -9.661 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.975 4.853 -9.992 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.285 6.299 -8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.578 6.193 -7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -4.178 7.649 -8.751 1.00 0.00 H new ATOM 401 N LYS A 150 -4.634 7.486 -11.790 1.00 0.00 N ATOM 402 CA LYS A 150 -5.478 8.013 -12.849 1.00 0.00 C ATOM 403 C LYS A 150 -5.300 7.247 -14.155 1.00 0.00 C ATOM 404 O LYS A 150 -6.088 7.393 -15.087 1.00 0.00 O ATOM 405 CB LYS A 150 -5.122 9.480 -13.060 1.00 0.00 C ATOM 406 CG LYS A 150 -3.645 9.640 -13.439 1.00 0.00 C ATOM 407 CD LYS A 150 -3.175 11.072 -13.203 1.00 0.00 C ATOM 408 CE LYS A 150 -3.173 11.354 -11.702 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.821 12.755 -11.424 1.00 0.00 N ATOM 0 H LYS A 150 -3.793 8.040 -11.628 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.521 7.904 -12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.750 9.901 -13.845 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.330 10.043 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.038 8.952 -12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.503 9.374 -14.487 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.175 11.213 -13.614 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.832 11.773 -13.717 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.157 11.134 -11.287 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.463 10.693 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.116 13.002 -10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.792 12.879 -11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.305 13.376 -12.103 1.00 0.00 H new ATOM 423 N GLU A 151 -4.255 6.427 -14.218 1.00 0.00 N ATOM 424 CA GLU A 151 -3.963 5.587 -15.369 1.00 0.00 C ATOM 425 C GLU A 151 -4.204 4.113 -15.058 1.00 0.00 C ATOM 426 O GLU A 151 -4.098 3.269 -15.946 1.00 0.00 O ATOM 427 CB GLU A 151 -2.501 5.771 -15.776 1.00 0.00 C ATOM 428 CG GLU A 151 -2.071 7.234 -15.751 1.00 0.00 C ATOM 429 CD GLU A 151 -0.689 7.416 -16.361 1.00 0.00 C ATOM 430 OE1 GLU A 151 0.228 6.686 -15.922 1.00 0.00 O ATOM 431 OE2 GLU A 151 -0.549 8.280 -17.256 1.00 0.00 O ATOM 0 H GLU A 151 -3.580 6.328 -13.460 1.00 0.00 H new ATOM 0 HA GLU A 151 -4.628 5.885 -16.180 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -1.864 5.196 -15.103 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -2.352 5.368 -16.778 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -2.795 7.837 -16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.067 7.596 -14.723 1.00 0.00 H new ATOM 438 N CYS A 152 -4.527 3.804 -13.801 1.00 0.00 N ATOM 439 CA CYS A 152 -4.763 2.442 -13.356 1.00 0.00 C ATOM 440 C CYS A 152 -5.933 1.815 -14.113 1.00 0.00 C ATOM 441 O CYS A 152 -6.726 2.509 -14.752 1.00 0.00 O ATOM 442 CB CYS A 152 -4.974 2.440 -11.846 1.00 0.00 C ATOM 443 SG CYS A 152 -4.462 0.826 -11.220 1.00 0.00 S ATOM 0 H CYS A 152 -4.631 4.501 -13.063 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.893 1.824 -13.577 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.392 3.234 -11.378 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.020 2.628 -11.606 1.00 0.00 H new ATOM 448 N LYS A 153 -6.039 0.489 -14.040 1.00 0.00 N ATOM 449 CA LYS A 153 -6.959 -0.277 -14.872 1.00 0.00 C ATOM 450 C LYS A 153 -7.774 -1.295 -14.087 1.00 0.00 C ATOM 451 O LYS A 153 -8.542 -2.066 -14.666 1.00 0.00 O ATOM 452 CB LYS A 153 -6.190 -0.914 -16.029 1.00 0.00 C ATOM 453 CG LYS A 153 -4.817 -1.452 -15.630 1.00 0.00 C ATOM 454 CD LYS A 153 -4.894 -2.677 -14.718 1.00 0.00 C ATOM 455 CE LYS A 153 -5.429 -3.880 -15.486 1.00 0.00 C ATOM 456 NZ LYS A 153 -4.475 -4.319 -16.521 1.00 0.00 N ATOM 0 H LYS A 153 -5.487 -0.083 -13.401 1.00 0.00 H new ATOM 0 HA LYS A 153 -7.698 0.414 -15.278 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -6.784 -1.729 -16.443 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -6.065 -0.176 -16.821 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.259 -1.711 -16.530 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.258 -0.665 -15.124 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -3.905 -2.903 -14.318 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -5.541 -2.464 -13.867 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.622 -4.700 -14.794 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -6.381 -3.624 -15.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.704 -5.290 -16.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -4.538 -3.685 -17.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.509 -4.293 -16.136 1.00 0.00 H new ATOM 470 N LEU A 154 -7.600 -1.296 -12.768 1.00 0.00 N ATOM 471 CA LEU A 154 -8.367 -2.146 -11.861 1.00 0.00 C ATOM 472 C LEU A 154 -9.150 -1.257 -10.886 1.00 0.00 C ATOM 473 O LEU A 154 -8.878 -0.060 -10.798 1.00 0.00 O ATOM 474 CB LEU A 154 -7.434 -3.164 -11.188 1.00 0.00 C ATOM 475 CG LEU A 154 -6.107 -2.594 -10.713 1.00 0.00 C ATOM 476 CD1 LEU A 154 -6.383 -1.624 -9.586 1.00 0.00 C ATOM 477 CD2 LEU A 154 -5.220 -3.715 -10.186 1.00 0.00 C ATOM 0 H LEU A 154 -6.918 -0.703 -12.295 1.00 0.00 H new ATOM 0 HA LEU A 154 -9.107 -2.739 -12.399 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -7.952 -3.602 -10.335 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.235 -3.974 -11.890 1.00 0.00 H new ATOM 0 HG LEU A 154 -5.604 -2.095 -11.541 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.443 -1.203 -9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.027 -0.822 -9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -6.879 -2.148 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -4.271 -3.299 -9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -5.717 -4.211 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -5.037 -4.438 -10.981 1.00 0.00 H new ATOM 489 N PRO A 155 -10.119 -1.816 -10.148 1.00 0.00 N ATOM 490 CA PRO A 155 -10.915 -1.069 -9.187 1.00 0.00 C ATOM 491 C PRO A 155 -10.027 -0.622 -8.029 1.00 0.00 C ATOM 492 O PRO A 155 -8.906 -1.107 -7.899 1.00 0.00 O ATOM 493 CB PRO A 155 -12.018 -2.041 -8.752 1.00 0.00 C ATOM 494 CG PRO A 155 -11.378 -3.412 -8.942 1.00 0.00 C ATOM 495 CD PRO A 155 -10.516 -3.209 -10.183 1.00 0.00 C ATOM 0 HA PRO A 155 -11.352 -0.157 -9.594 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.313 -1.876 -7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -12.915 -1.929 -9.361 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -10.781 -3.704 -8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -12.126 -4.191 -9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -9.647 -3.866 -10.170 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -11.074 -3.436 -11.091 1.00 0.00 H new ATOM 503 N PRO A 156 -10.487 0.290 -7.168 1.00 0.00 N ATOM 504 CA PRO A 156 -9.650 0.872 -6.132 1.00 0.00 C ATOM 505 C PRO A 156 -9.196 -0.175 -5.120 1.00 0.00 C ATOM 506 O PRO A 156 -9.959 -0.577 -4.245 1.00 0.00 O ATOM 507 CB PRO A 156 -10.483 1.988 -5.500 1.00 0.00 C ATOM 508 CG PRO A 156 -11.925 1.564 -5.786 1.00 0.00 C ATOM 509 CD PRO A 156 -11.829 0.839 -7.128 1.00 0.00 C ATOM 0 HA PRO A 156 -8.723 1.274 -6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -10.294 2.073 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.255 2.958 -5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -12.313 0.911 -5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.592 2.424 -5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.579 0.052 -7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -11.999 1.524 -7.959 1.00 0.00 H new ATOM 517 N GLN A 157 -7.941 -0.613 -5.244 1.00 0.00 N ATOM 518 CA GLN A 157 -7.324 -1.546 -4.311 1.00 0.00 C ATOM 519 C GLN A 157 -6.963 -0.798 -3.035 1.00 0.00 C ATOM 520 O GLN A 157 -6.844 0.429 -3.044 1.00 0.00 O ATOM 521 CB GLN A 157 -6.030 -2.121 -4.907 1.00 0.00 C ATOM 522 CG GLN A 157 -6.208 -2.642 -6.327 1.00 0.00 C ATOM 523 CD GLN A 157 -7.143 -3.839 -6.403 1.00 0.00 C ATOM 524 OE1 GLN A 157 -6.896 -4.874 -5.793 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.231 -3.708 -7.156 1.00 0.00 N ATOM 0 H GLN A 157 -7.323 -0.325 -6.003 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.025 -2.356 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.261 -1.349 -4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.672 -2.931 -4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -6.598 -1.842 -6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.235 -2.921 -6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.407 -2.833 -7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -8.890 -4.482 -7.239 1.00 0.00 H new ATOM 534 N PRO A 158 -6.777 -1.517 -1.927 1.00 0.00 N ATOM 535 CA PRO A 158 -6.304 -0.927 -0.701 1.00 0.00 C ATOM 536 C PRO A 158 -4.804 -0.678 -0.845 1.00 0.00 C ATOM 537 O PRO A 158 -4.079 -1.505 -1.393 1.00 0.00 O ATOM 538 CB PRO A 158 -6.609 -1.972 0.373 1.00 0.00 C ATOM 539 CG PRO A 158 -6.523 -3.302 -0.377 1.00 0.00 C ATOM 540 CD PRO A 158 -6.990 -2.941 -1.786 1.00 0.00 C ATOM 0 HA PRO A 158 -6.770 0.026 -0.452 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.890 -1.927 1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.597 -1.821 0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.507 -3.698 -0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.160 -4.061 0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.427 -3.495 -2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.041 -3.193 -1.925 1.00 0.00 H new ATOM 548 N LYS A 159 -4.346 0.469 -0.351 1.00 0.00 N ATOM 549 CA LYS A 159 -2.928 0.795 -0.351 1.00 0.00 C ATOM 550 C LYS A 159 -2.223 -0.070 0.690 1.00 0.00 C ATOM 551 O LYS A 159 -2.230 0.242 1.878 1.00 0.00 O ATOM 552 CB LYS A 159 -2.691 2.300 -0.135 1.00 0.00 C ATOM 553 CG LYS A 159 -3.579 2.959 0.919 1.00 0.00 C ATOM 554 CD LYS A 159 -3.223 4.439 1.032 1.00 0.00 C ATOM 555 CE LYS A 159 -2.137 4.687 2.072 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.682 4.587 3.439 1.00 0.00 N ATOM 0 H LYS A 159 -4.942 1.190 0.056 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.502 0.572 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.649 2.449 0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.841 2.814 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.629 2.846 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.444 2.467 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -2.887 4.806 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -4.115 5.007 1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -1.333 3.962 1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -1.703 5.675 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -1.965 4.175 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.939 5.535 3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -3.527 3.981 3.432 1.00 0.00 H new ATOM 570 N LYS A 160 -1.621 -1.170 0.228 1.00 0.00 N ATOM 571 CA LYS A 160 -0.880 -2.093 1.076 1.00 0.00 C ATOM 572 C LYS A 160 0.513 -1.557 1.364 1.00 0.00 C ATOM 573 O LYS A 160 1.005 -0.680 0.650 1.00 0.00 O ATOM 574 CB LYS A 160 -0.719 -3.424 0.344 1.00 0.00 C ATOM 575 CG LYS A 160 -2.056 -4.102 0.079 1.00 0.00 C ATOM 576 CD LYS A 160 -1.898 -5.122 -1.042 1.00 0.00 C ATOM 577 CE LYS A 160 -3.206 -5.159 -1.817 1.00 0.00 C ATOM 578 NZ LYS A 160 -3.093 -6.035 -2.998 1.00 0.00 N ATOM 0 H LYS A 160 -1.638 -1.442 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.429 -2.216 2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.205 -3.256 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.088 -4.088 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.412 -4.594 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.804 -3.358 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -1.072 -4.846 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.666 -6.106 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -4.007 -5.516 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -3.476 -4.151 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.998 -6.044 -3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -2.343 -5.678 -3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.858 -7.001 -2.693 1.00 0.00 H new ATOM 592 N CYS A 161 1.143 -2.089 2.410 1.00 0.00 N ATOM 593 CA CYS A 161 2.538 -1.843 2.702 1.00 0.00 C ATOM 594 C CYS A 161 3.386 -2.186 1.474 1.00 0.00 C ATOM 595 O CYS A 161 3.332 -3.310 0.982 1.00 0.00 O ATOM 596 CB CYS A 161 2.884 -2.714 3.912 1.00 0.00 C ATOM 597 SG CYS A 161 4.647 -2.643 4.303 1.00 0.00 S ATOM 0 H CYS A 161 0.687 -2.708 3.080 1.00 0.00 H new ATOM 0 HA CYS A 161 2.739 -0.797 2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.306 -2.384 4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.597 -3.746 3.712 1.00 0.00 H new ATOM 602 N HIS A 162 4.174 -1.226 0.979 1.00 0.00 N ATOM 603 CA HIS A 162 5.070 -1.407 -0.156 1.00 0.00 C ATOM 604 C HIS A 162 6.186 -2.399 0.170 1.00 0.00 C ATOM 605 O HIS A 162 7.142 -2.526 -0.596 1.00 0.00 O ATOM 606 CB HIS A 162 5.709 -0.068 -0.540 1.00 0.00 C ATOM 607 CG HIS A 162 4.769 0.906 -1.207 1.00 0.00 C ATOM 608 ND1 HIS A 162 3.769 0.564 -2.124 1.00 0.00 N ATOM 609 CD2 HIS A 162 4.775 2.260 -1.027 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.199 1.727 -2.474 1.00 0.00 C ATOM 611 NE2 HIS A 162 3.782 2.759 -1.839 1.00 0.00 N ATOM 0 H HIS A 162 4.204 -0.284 1.368 1.00 0.00 H new ATOM 0 HA HIS A 162 4.476 -1.796 -0.983 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.116 0.397 0.358 1.00 0.00 H new ATOM 0 HB3 HIS A 162 6.548 -0.259 -1.209 1.00 0.00 H new ATOM 0 HD2 HIS A 162 5.428 2.825 -0.378 1.00 0.00 H new ATOM 0 HE1 HIS A 162 2.381 1.822 -3.173 1.00 0.00 H new ATOM 0 HE2 HIS A 162 3.531 3.742 -1.941 1.00 0.00 H new ATOM 619 N PHE A 163 6.083 -3.106 1.298 1.00 0.00 N ATOM 620 CA PHE A 163 7.185 -3.890 1.824 1.00 0.00 C ATOM 621 C PHE A 163 6.783 -5.310 2.193 1.00 0.00 C ATOM 622 O PHE A 163 7.560 -6.244 1.983 1.00 0.00 O ATOM 623 CB PHE A 163 7.649 -3.152 3.069 1.00 0.00 C ATOM 624 CG PHE A 163 9.087 -3.348 3.419 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.494 -4.516 4.078 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.013 -2.356 3.091 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.850 -4.687 4.394 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.360 -2.513 3.421 1.00 0.00 C ATOM 629 CZ PHE A 163 11.778 -3.685 4.063 1.00 0.00 C ATOM 0 H PHE A 163 5.235 -3.146 1.864 1.00 0.00 H new ATOM 0 HA PHE A 163 7.963 -3.990 1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.466 -2.086 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.038 -3.473 3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.772 -5.276 4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 163 9.685 -1.463 2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.180 -5.587 4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.073 -1.738 3.183 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.822 -3.820 4.306 1.00 0.00 H new ATOM 639 N CYS A 164 5.573 -5.476 2.738 1.00 0.00 N ATOM 640 CA CYS A 164 5.054 -6.790 3.087 1.00 0.00 C ATOM 641 C CYS A 164 3.628 -6.982 2.562 1.00 0.00 C ATOM 642 O CYS A 164 3.001 -8.013 2.809 1.00 0.00 O ATOM 643 CB CYS A 164 5.084 -6.905 4.603 1.00 0.00 C ATOM 644 SG CYS A 164 3.871 -5.738 5.253 1.00 0.00 S ATOM 0 H CYS A 164 4.936 -4.707 2.946 1.00 0.00 H new ATOM 0 HA CYS A 164 5.667 -7.566 2.629 1.00 0.00 H new ATOM 0 HB2 CYS A 164 4.846 -7.921 4.916 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.079 -6.678 4.986 1.00 0.00 H new ATOM 649 N GLN A 165 3.138 -5.974 1.840 1.00 0.00 N ATOM 650 CA GLN A 165 1.801 -5.929 1.259 1.00 0.00 C ATOM 651 C GLN A 165 0.695 -6.052 2.311 1.00 0.00 C ATOM 652 O GLN A 165 -0.419 -6.464 1.994 1.00 0.00 O ATOM 653 CB GLN A 165 1.665 -6.939 0.112 1.00 0.00 C ATOM 654 CG GLN A 165 2.573 -6.563 -1.062 1.00 0.00 C ATOM 655 CD GLN A 165 4.059 -6.696 -0.748 1.00 0.00 C ATOM 656 OE1 GLN A 165 4.569 -7.794 -0.547 1.00 0.00 O ATOM 657 NE2 GLN A 165 4.779 -5.576 -0.698 1.00 0.00 N ATOM 0 H GLN A 165 3.684 -5.136 1.638 1.00 0.00 H new ATOM 0 HA GLN A 165 1.665 -4.939 0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 165 1.921 -7.937 0.469 1.00 0.00 H new ATOM 0 HB3 GLN A 165 0.628 -6.977 -0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.332 -7.197 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.363 -5.535 -1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.333 -4.675 -0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 165 5.776 -5.620 -0.489 1.00 0.00 H new ATOM 666 N SER A 166 0.987 -5.695 3.562 1.00 0.00 N ATOM 667 CA SER A 166 -0.006 -5.688 4.621 1.00 0.00 C ATOM 668 C SER A 166 -0.746 -4.357 4.639 1.00 0.00 C ATOM 669 O SER A 166 -0.140 -3.319 4.887 1.00 0.00 O ATOM 670 CB SER A 166 0.695 -5.882 5.965 1.00 0.00 C ATOM 671 OG SER A 166 1.432 -7.084 5.962 1.00 0.00 O ATOM 0 H SER A 166 1.917 -5.404 3.863 1.00 0.00 H new ATOM 0 HA SER A 166 -0.719 -6.494 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.359 -5.040 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.042 -5.901 6.768 1.00 0.00 H new ATOM 0 HG SER A 166 2.382 -6.886 6.100 1.00 0.00 H new ATOM 677 N ILE A 167 -2.060 -4.379 4.382 1.00 0.00 N ATOM 678 CA ILE A 167 -2.923 -3.209 4.523 1.00 0.00 C ATOM 679 C ILE A 167 -3.091 -2.786 5.973 1.00 0.00 C ATOM 680 O ILE A 167 -3.512 -1.665 6.249 1.00 0.00 O ATOM 681 CB ILE A 167 -4.307 -3.524 3.955 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.922 -4.714 4.698 1.00 0.00 C ATOM 683 CG2 ILE A 167 -4.185 -3.815 2.465 1.00 0.00 C ATOM 684 CD1 ILE A 167 -6.051 -5.349 3.900 1.00 0.00 C ATOM 0 H ILE A 167 -2.553 -5.215 4.069 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.447 -2.393 3.979 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.965 -2.666 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -4.151 -5.459 4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.300 -4.384 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -5.170 -4.040 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.772 -2.944 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.526 -4.670 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.463 -6.190 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.834 -4.611 3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.666 -5.702 2.943 1.00 0.00 H new ATOM 696 N SER A 168 -2.762 -3.688 6.899 1.00 0.00 N ATOM 697 CA SER A 168 -2.786 -3.427 8.331 1.00 0.00 C ATOM 698 C SER A 168 -2.020 -2.145 8.646 1.00 0.00 C ATOM 699 O SER A 168 -2.507 -1.291 9.378 1.00 0.00 O ATOM 700 CB SER A 168 -2.237 -4.637 9.070 1.00 0.00 C ATOM 701 OG SER A 168 -0.890 -4.847 8.719 1.00 0.00 O ATOM 0 H SER A 168 -2.467 -4.636 6.666 1.00 0.00 H new ATOM 0 HA SER A 168 -3.810 -3.270 8.670 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.321 -4.485 10.146 1.00 0.00 H new ATOM 0 HB3 SER A 168 -2.827 -5.521 8.826 1.00 0.00 H new ATOM 0 HG SER A 168 -0.544 -5.627 9.201 1.00 0.00 H new ATOM 707 N HIS A 169 -0.819 -2.021 8.078 1.00 0.00 N ATOM 708 CA HIS A 169 0.064 -0.886 8.272 1.00 0.00 C ATOM 709 C HIS A 169 0.545 -0.361 6.919 1.00 0.00 C ATOM 710 O HIS A 169 -0.050 -0.638 5.879 1.00 0.00 O ATOM 711 CB HIS A 169 1.244 -1.294 9.163 1.00 0.00 C ATOM 712 CG HIS A 169 2.024 -2.476 8.634 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.928 -3.772 9.082 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.957 -2.472 7.634 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.788 -4.518 8.371 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.445 -3.767 7.474 1.00 0.00 N ATOM 0 H HIS A 169 -0.430 -2.729 7.456 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.478 -0.083 8.771 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.918 -0.444 9.270 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.871 -1.533 10.159 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.313 -4.107 9.823 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.264 -1.608 7.063 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.932 -5.580 8.503 1.00 0.00 H new ATOM 724 N MET A 170 1.642 0.395 6.938 1.00 0.00 N ATOM 725 CA MET A 170 2.265 0.944 5.751 1.00 0.00 C ATOM 726 C MET A 170 3.749 0.639 5.830 1.00 0.00 C ATOM 727 O MET A 170 4.258 0.332 6.909 1.00 0.00 O ATOM 728 CB MET A 170 2.078 2.464 5.770 1.00 0.00 C ATOM 729 CG MET A 170 0.617 2.903 5.676 1.00 0.00 C ATOM 730 SD MET A 170 0.047 3.328 4.016 1.00 0.00 S ATOM 731 CE MET A 170 -0.028 1.701 3.238 1.00 0.00 C ATOM 0 H MET A 170 2.127 0.644 7.800 1.00 0.00 H new ATOM 0 HA MET A 170 1.829 0.522 4.846 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.510 2.863 6.688 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.634 2.900 4.940 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.012 2.102 6.065 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.471 3.767 6.325 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.365 1.806 2.207 1.00 0.00 H new ATOM 0 HE2 MET A 170 0.962 1.245 3.251 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.726 1.068 3.785 1.00 0.00 H new ATOM 741 N VAL A 171 4.465 0.720 4.710 1.00 0.00 N ATOM 742 CA VAL A 171 5.913 0.572 4.726 1.00 0.00 C ATOM 743 C VAL A 171 6.505 1.607 5.664 1.00 0.00 C ATOM 744 O VAL A 171 7.616 1.457 6.168 1.00 0.00 O ATOM 745 CB VAL A 171 6.470 0.759 3.319 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.371 2.218 2.915 1.00 0.00 C ATOM 747 CG2 VAL A 171 7.935 0.372 3.248 1.00 0.00 C ATOM 0 H VAL A 171 4.066 0.886 3.786 1.00 0.00 H new ATOM 0 HA VAL A 171 6.177 -0.427 5.074 1.00 0.00 H new ATOM 0 HB VAL A 171 5.886 0.122 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.771 2.345 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.327 2.530 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 171 6.944 2.828 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.301 0.517 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.510 0.995 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.049 -0.675 3.528 1.00 0.00 H new ATOM 757 N ALA A 172 5.733 2.673 5.894 1.00 0.00 N ATOM 758 CA ALA A 172 6.107 3.735 6.787 1.00 0.00 C ATOM 759 C ALA A 172 6.222 3.245 8.233 1.00 0.00 C ATOM 760 O ALA A 172 6.711 3.959 9.108 1.00 0.00 O ATOM 761 CB ALA A 172 5.058 4.837 6.699 1.00 0.00 C ATOM 0 H ALA A 172 4.824 2.809 5.453 1.00 0.00 H new ATOM 0 HA ALA A 172 7.086 4.111 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.328 5.651 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 172 5.009 5.212 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 172 4.085 4.437 6.985 1.00 0.00 H new ATOM 767 N SER A 173 5.758 2.018 8.458 1.00 0.00 N ATOM 768 CA SER A 173 5.711 1.398 9.766 1.00 0.00 C ATOM 769 C SER A 173 5.936 -0.109 9.669 1.00 0.00 C ATOM 770 O SER A 173 5.670 -0.827 10.631 1.00 0.00 O ATOM 771 CB SER A 173 4.342 1.664 10.392 1.00 0.00 C ATOM 772 OG SER A 173 4.444 1.662 11.802 1.00 0.00 O ATOM 0 H SER A 173 5.398 1.420 7.715 1.00 0.00 H new ATOM 0 HA SER A 173 6.503 1.824 10.382 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.957 2.624 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.632 0.902 10.070 1.00 0.00 H new ATOM 0 HG SER A 173 4.894 0.843 12.096 1.00 0.00 H new ATOM 778 N CYS A 174 6.420 -0.596 8.517 1.00 0.00 N ATOM 779 CA CYS A 174 6.570 -2.042 8.335 1.00 0.00 C ATOM 780 C CYS A 174 7.378 -2.641 9.487 1.00 0.00 C ATOM 781 O CYS A 174 8.428 -2.106 9.851 1.00 0.00 O ATOM 782 CB CYS A 174 7.202 -2.372 6.988 1.00 0.00 C ATOM 783 SG CYS A 174 6.894 -4.113 6.599 1.00 0.00 S ATOM 0 H CYS A 174 6.706 -0.027 7.720 1.00 0.00 H new ATOM 0 HA CYS A 174 5.576 -2.490 8.342 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.784 -1.733 6.210 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.274 -2.177 7.018 1.00 0.00 H new ATOM 788 N PRO A 175 6.910 -3.747 10.073 1.00 0.00 N ATOM 789 CA PRO A 175 7.606 -4.437 11.136 1.00 0.00 C ATOM 790 C PRO A 175 8.796 -5.218 10.583 1.00 0.00 C ATOM 791 O PRO A 175 9.671 -5.626 11.341 1.00 0.00 O ATOM 792 CB PRO A 175 6.568 -5.394 11.716 1.00 0.00 C ATOM 793 CG PRO A 175 5.692 -5.725 10.512 1.00 0.00 C ATOM 794 CD PRO A 175 5.663 -4.405 9.751 1.00 0.00 C ATOM 0 HA PRO A 175 8.004 -3.749 11.882 1.00 0.00 H new ATOM 0 HB2 PRO A 175 7.032 -6.287 12.134 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.993 -4.928 12.517 1.00 0.00 H new ATOM 0 HG2 PRO A 175 6.115 -6.530 9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.693 -6.042 10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.573 -4.572 8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.809 -3.797 10.051 1.00 0.00 H new ATOM 802 N LEU A 176 8.838 -5.429 9.265 1.00 0.00 N ATOM 803 CA LEU A 176 9.923 -6.170 8.654 1.00 0.00 C ATOM 804 C LEU A 176 11.127 -5.275 8.449 1.00 0.00 C ATOM 805 O LEU A 176 12.227 -5.627 8.860 1.00 0.00 O ATOM 806 CB LEU A 176 9.475 -6.679 7.288 1.00 0.00 C ATOM 807 CG LEU A 176 8.208 -7.517 7.385 1.00 0.00 C ATOM 808 CD1 LEU A 176 7.904 -8.086 6.003 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.411 -8.653 8.378 1.00 0.00 C ATOM 0 H LEU A 176 8.131 -5.095 8.610 1.00 0.00 H new ATOM 0 HA LEU A 176 10.190 -6.998 9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.301 -5.832 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.272 -7.275 6.843 1.00 0.00 H new ATOM 0 HG LEU A 176 7.377 -6.901 7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 176 6.998 -8.691 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.758 -7.268 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.738 -8.706 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.500 -9.248 8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.234 -9.285 8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.644 -8.241 9.360 1.00 0.00 H new ATOM 821 N LYS A 177 10.927 -4.114 7.823 1.00 0.00 N ATOM 822 CA LYS A 177 12.032 -3.221 7.495 1.00 0.00 C ATOM 823 C LYS A 177 12.831 -2.832 8.729 1.00 0.00 C ATOM 824 O LYS A 177 13.926 -2.292 8.603 1.00 0.00 O ATOM 825 CB LYS A 177 11.492 -1.996 6.770 1.00 0.00 C ATOM 826 CG LYS A 177 10.779 -1.091 7.760 1.00 0.00 C ATOM 827 CD LYS A 177 10.286 0.170 7.040 1.00 0.00 C ATOM 828 CE LYS A 177 11.451 1.008 6.521 1.00 0.00 C ATOM 829 NZ LYS A 177 10.990 2.297 5.982 1.00 0.00 N ATOM 0 H LYS A 177 10.010 -3.773 7.535 1.00 0.00 H new ATOM 0 HA LYS A 177 12.722 -3.748 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.308 -1.456 6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.805 -2.301 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.937 -1.618 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.454 -0.819 8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.641 -0.113 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.682 0.768 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.162 1.183 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.980 0.456 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 11.693 2.663 5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 10.081 2.164 5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 10.870 2.976 6.761 1.00 0.00 H new ATOM 843 N ALA A 178 12.292 -3.103 9.915 1.00 0.00 N ATOM 844 CA ALA A 178 12.967 -2.805 11.158 1.00 0.00 C ATOM 845 C ALA A 178 14.304 -3.538 11.260 1.00 0.00 C ATOM 846 O ALA A 178 15.134 -3.205 12.102 1.00 0.00 O ATOM 847 CB ALA A 178 12.059 -3.236 12.299 1.00 0.00 C ATOM 0 H ALA A 178 11.376 -3.535 10.033 1.00 0.00 H new ATOM 0 HA ALA A 178 13.176 -1.736 11.205 1.00 0.00 H new ATOM 0 HB1 ALA A 178 12.545 -3.022 13.251 1.00 0.00 H new ATOM 0 HB2 ALA A 178 11.118 -2.690 12.241 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.863 -4.306 12.224 1.00 0.00 H new ATOM 853 N GLN A 179 14.508 -4.539 10.402 1.00 0.00 N ATOM 854 CA GLN A 179 15.750 -5.292 10.326 1.00 0.00 C ATOM 855 C GLN A 179 16.074 -5.626 8.871 1.00 0.00 C ATOM 856 O GLN A 179 16.835 -6.553 8.594 1.00 0.00 O ATOM 857 CB GLN A 179 15.664 -6.547 11.207 1.00 0.00 C ATOM 858 CG GLN A 179 14.457 -7.427 10.877 1.00 0.00 C ATOM 859 CD GLN A 179 13.217 -7.080 11.699 1.00 0.00 C ATOM 860 OE1 GLN A 179 13.317 -6.646 12.843 1.00 0.00 O ATOM 861 NE2 GLN A 179 12.042 -7.268 11.119 1.00 0.00 N ATOM 0 H GLN A 179 13.803 -4.850 9.734 1.00 0.00 H new ATOM 0 HA GLN A 179 16.569 -4.684 10.709 1.00 0.00 H new ATOM 0 HB2 GLN A 179 16.576 -7.131 11.087 1.00 0.00 H new ATOM 0 HB3 GLN A 179 15.613 -6.247 12.254 1.00 0.00 H new ATOM 0 HG2 GLN A 179 14.222 -7.328 9.817 1.00 0.00 H new ATOM 0 HG3 GLN A 179 14.719 -8.471 11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.996 -7.630 10.167 1.00 0.00 H new ATOM 0 HE22 GLN A 179 11.183 -7.050 11.624 1.00 0.00 H new ATOM 870 N GLN A 180 15.492 -4.872 7.931 1.00 0.00 N ATOM 871 CA GLN A 180 15.729 -5.047 6.503 1.00 0.00 C ATOM 872 C GLN A 180 15.995 -3.704 5.826 1.00 0.00 C ATOM 873 O GLN A 180 16.459 -3.661 4.688 1.00 0.00 O ATOM 874 CB GLN A 180 14.505 -5.699 5.852 1.00 0.00 C ATOM 875 CG GLN A 180 13.939 -6.865 6.660 1.00 0.00 C ATOM 876 CD GLN A 180 14.837 -8.096 6.630 1.00 0.00 C ATOM 877 OE1 GLN A 180 15.755 -8.202 5.818 1.00 0.00 O ATOM 878 NE2 GLN A 180 14.584 -9.043 7.526 1.00 0.00 N ATOM 0 H GLN A 180 14.839 -4.119 8.147 1.00 0.00 H new ATOM 0 HA GLN A 180 16.604 -5.685 6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.728 -4.946 5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.777 -6.053 4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.797 -6.550 7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.956 -7.128 6.269 1.00 0.00 H new ATOM 0 HE21 GLN A 180 13.816 -8.928 8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 180 15.158 -9.886 7.553 1.00 0.00 H new ATOM 887 N GLY A 181 15.697 -2.607 6.521 1.00 0.00 N ATOM 888 CA GLY A 181 15.888 -1.254 6.020 1.00 0.00 C ATOM 889 C GLY A 181 15.540 -0.199 7.073 1.00 0.00 C ATOM 890 O GLY A 181 14.733 0.685 6.795 1.00 0.00 O ATOM 0 H GLY A 181 15.310 -2.638 7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 181 16.924 -1.126 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.267 -1.103 5.137 1.00 0.00 H new ATOM 894 N PRO A 182 16.129 -0.278 8.275 1.00 0.00 N ATOM 895 CA PRO A 182 15.910 0.659 9.364 1.00 0.00 C ATOM 896 C PRO A 182 16.509 2.039 9.079 1.00 0.00 C ATOM 897 O PRO A 182 16.522 2.909 9.948 1.00 0.00 O ATOM 898 CB PRO A 182 16.585 0.026 10.579 1.00 0.00 C ATOM 899 CG PRO A 182 17.709 -0.798 9.960 1.00 0.00 C ATOM 900 CD PRO A 182 17.083 -1.297 8.663 1.00 0.00 C ATOM 0 HA PRO A 182 14.844 0.830 9.516 1.00 0.00 H new ATOM 0 HB2 PRO A 182 16.969 0.781 11.265 1.00 0.00 H new ATOM 0 HB3 PRO A 182 15.893 -0.597 11.145 1.00 0.00 H new ATOM 0 HG2 PRO A 182 18.598 -0.195 9.775 1.00 0.00 H new ATOM 0 HG3 PRO A 182 18.011 -1.622 10.607 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.840 -1.440 7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.592 -2.259 8.809 1.00 0.00 H new ATOM 908 N SER A 183 17.006 2.246 7.860 1.00 0.00 N ATOM 909 CA SER A 183 17.620 3.493 7.435 1.00 0.00 C ATOM 910 C SER A 183 16.708 4.684 7.698 1.00 0.00 C ATOM 911 O SER A 183 15.483 4.561 7.676 1.00 0.00 O ATOM 912 CB SER A 183 17.933 3.403 5.943 1.00 0.00 C ATOM 913 OG SER A 183 18.670 2.230 5.674 1.00 0.00 O ATOM 0 H SER A 183 16.990 1.534 7.129 1.00 0.00 H new ATOM 0 HA SER A 183 18.535 3.644 8.009 1.00 0.00 H new ATOM 0 HB2 SER A 183 17.007 3.400 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 183 18.500 4.279 5.629 1.00 0.00 H new ATOM 0 HG SER A 183 18.865 2.179 4.715 1.00 0.00 H new ATOM 919 N ALA A 184 17.322 5.846 7.946 1.00 0.00 N ATOM 920 CA ALA A 184 16.628 7.091 8.254 1.00 0.00 C ATOM 921 C ALA A 184 15.593 6.945 9.374 1.00 0.00 C ATOM 922 O ALA A 184 14.739 7.821 9.545 1.00 0.00 O ATOM 923 CB ALA A 184 16.026 7.651 6.966 1.00 0.00 C ATOM 0 H ALA A 184 18.337 5.944 7.937 1.00 0.00 H new ATOM 0 HA ALA A 184 17.353 7.803 8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 184 15.504 8.583 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 184 16.821 7.840 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 184 15.323 6.930 6.549 1.00 0.00 H new ATOM 929 N GLN A 185 15.656 5.851 10.142 1.00 0.00 N ATOM 930 CA GLN A 185 14.757 5.547 11.245 1.00 0.00 C ATOM 931 C GLN A 185 13.279 5.762 10.912 1.00 0.00 C ATOM 932 O GLN A 185 12.471 6.014 11.803 1.00 0.00 O ATOM 933 CB GLN A 185 15.195 6.345 12.475 1.00 0.00 C ATOM 934 CG GLN A 185 16.469 5.751 13.067 1.00 0.00 C ATOM 935 CD GLN A 185 16.213 4.354 13.611 1.00 0.00 C ATOM 936 OE1 GLN A 185 15.472 4.185 14.580 1.00 0.00 O ATOM 937 NE2 GLN A 185 16.819 3.342 13.008 1.00 0.00 N ATOM 0 H GLN A 185 16.364 5.130 10.001 1.00 0.00 H new ATOM 0 HA GLN A 185 14.833 4.480 11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 185 15.365 7.386 12.200 1.00 0.00 H new ATOM 0 HB3 GLN A 185 14.402 6.339 13.222 1.00 0.00 H new ATOM 0 HG2 GLN A 185 17.246 5.712 12.304 1.00 0.00 H new ATOM 0 HG3 GLN A 185 16.839 6.395 13.865 1.00 0.00 H new ATOM 0 HE21 GLN A 185 17.427 3.515 12.207 1.00 0.00 H new ATOM 0 HE22 GLN A 185 16.678 2.389 13.344 1.00 0.00 H new ATOM 946 N GLY A 186 12.912 5.663 9.633 1.00 0.00 N ATOM 947 CA GLY A 186 11.539 5.850 9.197 1.00 0.00 C ATOM 948 C GLY A 186 11.361 5.409 7.755 1.00 0.00 C ATOM 949 O GLY A 186 10.467 4.564 7.526 1.00 0.00 O ATOM 950 OXT GLY A 186 12.120 5.917 6.901 1.00 0.00 O ATOM 0 H GLY A 186 13.562 5.451 8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 186 10.869 5.280 9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 186 11.262 6.899 9.297 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 11.196 7.339 4.766 1.00 0.00 O ATOM 956 C5' A B 1 9.911 6.819 5.034 1.00 0.00 C ATOM 957 C4' A B 1 8.888 7.291 4.003 1.00 0.00 C ATOM 958 O4' A B 1 9.176 6.698 2.736 1.00 0.00 O ATOM 959 C3' A B 1 7.507 6.796 4.433 1.00 0.00 C ATOM 960 O3' A B 1 6.505 7.647 3.898 1.00 0.00 O ATOM 961 C2' A B 1 7.472 5.468 3.710 1.00 0.00 C ATOM 962 O2' A B 1 6.148 5.028 3.574 1.00 0.00 O ATOM 963 C1' A B 1 8.064 5.901 2.394 1.00 0.00 C ATOM 964 N9 A B 1 8.333 4.771 1.479 1.00 0.00 N ATOM 965 C8 A B 1 7.712 4.531 0.284 1.00 0.00 C ATOM 966 N7 A B 1 8.126 3.456 -0.333 1.00 0.00 N ATOM 967 C5 A B 1 9.074 2.924 0.540 1.00 0.00 C ATOM 968 C6 A B 1 9.879 1.775 0.485 1.00 0.00 C ATOM 969 N6 A B 1 9.888 0.921 -0.540 1.00 0.00 N ATOM 970 N1 A B 1 10.685 1.511 1.523 1.00 0.00 N ATOM 971 C2 A B 1 10.681 2.340 2.555 1.00 0.00 C ATOM 972 N3 A B 1 9.983 3.452 2.736 1.00 0.00 N ATOM 973 C4 A B 1 9.189 3.703 1.665 1.00 0.00 C ATOM 0 H5' A B 1 9.593 7.127 6.030 1.00 0.00 H new ATOM 0 H5'' A B 1 9.951 5.730 5.035 1.00 0.00 H new ATOM 0 H4' A B 1 8.921 8.378 3.931 1.00 0.00 H new ATOM 0 H3' A B 1 7.342 6.753 5.510 1.00 0.00 H new ATOM 0 H2' A B 1 7.988 4.637 4.191 1.00 0.00 H new ATOM 0 HO2' A B 1 5.580 5.779 3.302 1.00 0.00 H new ATOM 0 HO5' A B 1 11.563 7.741 5.581 1.00 0.00 H new ATOM 0 H1' A B 1 7.368 6.487 1.795 1.00 0.00 H new ATOM 0 H8 A B 1 6.944 5.176 -0.116 1.00 0.00 H new ATOM 0 H61 A B 1 10.498 0.104 -0.517 1.00 0.00 H new ATOM 0 H62 A B 1 9.285 1.086 -1.346 1.00 0.00 H new ATOM 0 H2 A B 1 11.342 2.072 3.366 1.00 0.00 H new ATOM 986 P G B 2 5.578 8.556 4.842 1.00 0.00 P ATOM 987 OP1 G B 2 5.975 9.970 4.651 1.00 0.00 O ATOM 988 OP2 G B 2 5.569 7.983 6.205 1.00 0.00 O ATOM 989 O5' G B 2 4.111 8.350 4.212 1.00 0.00 O ATOM 990 C5' G B 2 3.564 9.286 3.303 1.00 0.00 C ATOM 991 C4' G B 2 2.210 8.811 2.758 1.00 0.00 C ATOM 992 O4' G B 2 2.385 7.857 1.721 1.00 0.00 O ATOM 993 C3' G B 2 1.310 8.184 3.829 1.00 0.00 C ATOM 994 O3' G B 2 0.380 9.041 4.484 1.00 0.00 O ATOM 995 C2' G B 2 0.573 7.094 3.067 1.00 0.00 C ATOM 996 O2' G B 2 -0.647 7.551 2.525 1.00 0.00 O ATOM 997 C1' G B 2 1.505 6.761 1.913 1.00 0.00 C ATOM 998 N9 G B 2 2.283 5.542 2.204 1.00 0.00 N ATOM 999 C8 G B 2 3.281 5.319 3.125 1.00 0.00 C ATOM 1000 N7 G B 2 3.666 4.079 3.169 1.00 0.00 N ATOM 1001 C5 G B 2 2.943 3.452 2.170 1.00 0.00 C ATOM 1002 C6 G B 2 2.979 2.103 1.730 1.00 0.00 C ATOM 1003 O6 G B 2 3.645 1.176 2.172 1.00 0.00 O ATOM 1004 N1 G B 2 2.130 1.874 0.669 1.00 0.00 N ATOM 1005 C2 G B 2 1.331 2.827 0.090 1.00 0.00 C ATOM 1006 N2 G B 2 0.591 2.440 -0.947 1.00 0.00 N ATOM 1007 N3 G B 2 1.267 4.096 0.507 1.00 0.00 N ATOM 1008 C4 G B 2 2.105 4.344 1.549 1.00 0.00 C ATOM 0 H5' G B 2 4.257 9.440 2.476 1.00 0.00 H new ATOM 0 H5'' G B 2 3.441 10.249 3.799 1.00 0.00 H new ATOM 0 H4' G B 2 1.722 9.710 2.381 1.00 0.00 H new ATOM 0 H3' G B 2 1.930 7.853 4.662 1.00 0.00 H new ATOM 0 H2' G B 2 0.335 6.256 3.722 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.504 8.411 2.077 1.00 0.00 H new ATOM 0 H1' G B 2 0.918 6.580 1.012 1.00 0.00 H new ATOM 0 H8 G B 2 3.701 6.095 3.747 1.00 0.00 H new ATOM 0 H1 G B 2 2.093 0.929 0.287 1.00 0.00 H new ATOM 0 H21 G B 2 -0.021 3.109 -1.415 1.00 0.00 H new ATOM 0 H22 G B 2 0.636 1.475 -1.274 1.00 0.00 H new ATOM 1020 P G B 3 -0.162 10.429 3.864 1.00 0.00 P ATOM 1021 OP1 G B 3 0.948 11.407 3.895 1.00 0.00 O ATOM 1022 OP2 G B 3 -1.427 10.742 4.567 1.00 0.00 O ATOM 1023 O5' G B 3 -0.514 10.087 2.330 1.00 0.00 O ATOM 1024 C5' G B 3 -1.351 10.923 1.550 1.00 0.00 C ATOM 1025 C4' G B 3 -1.492 10.314 0.156 1.00 0.00 C ATOM 1026 O4' G B 3 -2.136 9.053 0.268 1.00 0.00 O ATOM 1027 C3' G B 3 -2.355 11.187 -0.766 1.00 0.00 C ATOM 1028 O3' G B 3 -1.780 11.288 -2.057 1.00 0.00 O ATOM 1029 C2' G B 3 -3.658 10.399 -0.852 1.00 0.00 C ATOM 1030 O2' G B 3 -4.342 10.627 -2.067 1.00 0.00 O ATOM 1031 C1' G B 3 -3.131 8.979 -0.732 1.00 0.00 C ATOM 1032 N9 G B 3 -4.209 8.039 -0.371 1.00 0.00 N ATOM 1033 C8 G B 3 -4.622 6.929 -1.060 1.00 0.00 C ATOM 1034 N7 G B 3 -5.626 6.301 -0.509 1.00 0.00 N ATOM 1035 C5 G B 3 -5.899 7.051 0.633 1.00 0.00 C ATOM 1036 C6 G B 3 -6.889 6.859 1.641 1.00 0.00 C ATOM 1037 O6 G B 3 -7.731 5.967 1.726 1.00 0.00 O ATOM 1038 N1 G B 3 -6.835 7.841 2.616 1.00 0.00 N ATOM 1039 C2 G B 3 -5.935 8.876 2.639 1.00 0.00 C ATOM 1040 N2 G B 3 -6.011 9.721 3.666 1.00 0.00 N ATOM 1041 N3 G B 3 -4.999 9.064 1.703 1.00 0.00 N ATOM 1042 C4 G B 3 -5.038 8.117 0.728 1.00 0.00 C ATOM 0 H5' G B 3 -0.927 11.925 1.483 1.00 0.00 H new ATOM 0 H5'' G B 3 -2.330 11.022 2.020 1.00 0.00 H new ATOM 0 H4' G B 3 -0.491 10.228 -0.268 1.00 0.00 H new ATOM 0 H3' G B 3 -2.469 12.206 -0.397 1.00 0.00 H new ATOM 0 H2' G B 3 -4.402 10.665 -0.101 1.00 0.00 H new ATOM 0 HO2' G B 3 -3.767 11.137 -2.675 1.00 0.00 H new ATOM 0 H1' G B 3 -2.729 8.602 -1.673 1.00 0.00 H new ATOM 0 H8 G B 3 -4.158 6.602 -1.979 1.00 0.00 H new ATOM 0 H1 G B 3 -7.516 7.791 3.374 1.00 0.00 H new ATOM 0 H21 G B 3 -5.364 10.507 3.729 1.00 0.00 H new ATOM 0 H22 G B 3 -6.716 9.582 4.390 1.00 0.00 H new ATOM 1054 P A B 4 -0.599 12.328 -2.366 1.00 0.00 P ATOM 1055 OP1 A B 4 0.659 11.787 -1.814 1.00 0.00 O ATOM 1056 OP2 A B 4 -1.045 13.678 -1.958 1.00 0.00 O ATOM 1057 O5' A B 4 -0.491 12.301 -3.971 1.00 0.00 O ATOM 1058 C5' A B 4 -1.388 13.045 -4.770 1.00 0.00 C ATOM 1059 C4' A B 4 -1.147 12.764 -6.256 1.00 0.00 C ATOM 1060 O4' A B 4 -1.700 11.513 -6.629 1.00 0.00 O ATOM 1061 C3' A B 4 -1.839 13.824 -7.102 1.00 0.00 C ATOM 1062 O3' A B 4 -1.076 14.044 -8.273 1.00 0.00 O ATOM 1063 C2' A B 4 -3.197 13.202 -7.401 1.00 0.00 C ATOM 1064 O2' A B 4 -3.705 13.562 -8.671 1.00 0.00 O ATOM 1065 C1' A B 4 -2.911 11.704 -7.349 1.00 0.00 C ATOM 1066 N9 A B 4 -4.044 11.021 -6.697 1.00 0.00 N ATOM 1067 C8 A B 4 -4.367 11.002 -5.364 1.00 0.00 C ATOM 1068 N7 A B 4 -5.443 10.310 -5.094 1.00 0.00 N ATOM 1069 C5 A B 4 -5.865 9.851 -6.343 1.00 0.00 C ATOM 1070 C6 A B 4 -6.962 9.084 -6.768 1.00 0.00 C ATOM 1071 N6 A B 4 -7.881 8.577 -5.944 1.00 0.00 N ATOM 1072 N1 A B 4 -7.107 8.837 -8.075 1.00 0.00 N ATOM 1073 C2 A B 4 -6.213 9.332 -8.921 1.00 0.00 C ATOM 1074 N3 A B 4 -5.139 10.067 -8.664 1.00 0.00 N ATOM 1075 C4 A B 4 -5.020 10.291 -7.327 1.00 0.00 C ATOM 0 H5' A B 4 -1.264 14.109 -4.571 1.00 0.00 H new ATOM 0 H5'' A B 4 -2.415 12.789 -4.508 1.00 0.00 H new ATOM 0 H4' A B 4 -0.069 12.767 -6.419 1.00 0.00 H new ATOM 0 H3' A B 4 -1.944 14.797 -6.622 1.00 0.00 H new ATOM 0 H2' A B 4 -3.957 13.539 -6.696 1.00 0.00 H new ATOM 0 HO2' A B 4 -4.576 13.133 -8.809 1.00 0.00 H new ATOM 0 H1' A B 4 -2.797 11.284 -8.348 1.00 0.00 H new ATOM 0 H8 A B 4 -3.787 11.511 -4.608 1.00 0.00 H new ATOM 0 H61 A B 4 -8.654 8.028 -6.319 1.00 0.00 H new ATOM 0 H62 A B 4 -7.810 8.739 -4.939 1.00 0.00 H new ATOM 0 H2 A B 4 -6.383 9.105 -9.963 1.00 0.00 H new ATOM 1087 P G B 5 -1.201 15.415 -9.097 1.00 0.00 P ATOM 1088 OP1 G B 5 -1.509 16.503 -8.147 1.00 0.00 O ATOM 1089 OP2 G B 5 -2.101 15.182 -10.245 1.00 0.00 O ATOM 1090 O5' G B 5 0.287 15.647 -9.653 1.00 0.00 O ATOM 1091 C5' G B 5 1.338 15.986 -8.770 1.00 0.00 C ATOM 1092 C4' G B 5 2.354 14.854 -8.645 1.00 0.00 C ATOM 1093 O4' G B 5 1.733 13.691 -8.124 1.00 0.00 O ATOM 1094 C3' G B 5 2.984 14.504 -9.997 1.00 0.00 C ATOM 1095 O3' G B 5 4.393 14.473 -9.868 1.00 0.00 O ATOM 1096 C2' G B 5 2.443 13.112 -10.283 1.00 0.00 C ATOM 1097 O2' G B 5 3.372 12.294 -10.965 1.00 0.00 O ATOM 1098 C1' G B 5 2.153 12.582 -8.887 1.00 0.00 C ATOM 1099 N9 G B 5 1.127 11.522 -8.940 1.00 0.00 N ATOM 1100 C8 G B 5 -0.085 11.542 -9.580 1.00 0.00 C ATOM 1101 N7 G B 5 -0.779 10.449 -9.435 1.00 0.00 N ATOM 1102 C5 G B 5 0.030 9.642 -8.635 1.00 0.00 C ATOM 1103 C6 G B 5 -0.192 8.332 -8.120 1.00 0.00 C ATOM 1104 O6 G B 5 -1.165 7.599 -8.276 1.00 0.00 O ATOM 1105 N1 G B 5 0.873 7.885 -7.354 1.00 0.00 N ATOM 1106 C2 G B 5 2.032 8.589 -7.147 1.00 0.00 C ATOM 1107 N2 G B 5 2.977 7.990 -6.427 1.00 0.00 N ATOM 1108 N3 G B 5 2.256 9.812 -7.628 1.00 0.00 N ATOM 1109 C4 G B 5 1.208 10.287 -8.348 1.00 0.00 C ATOM 0 H5' G B 5 0.928 16.218 -7.787 1.00 0.00 H new ATOM 0 H5'' G B 5 1.838 16.886 -9.127 1.00 0.00 H new ATOM 0 H4' G B 5 3.137 15.201 -7.970 1.00 0.00 H new ATOM 0 H3' G B 5 2.754 15.218 -10.788 1.00 0.00 H new ATOM 0 H2' G B 5 1.574 13.124 -10.941 1.00 0.00 H new ATOM 0 HO2' G B 5 4.272 12.671 -10.869 1.00 0.00 H new ATOM 0 H1' G B 5 3.033 12.125 -8.434 1.00 0.00 H new ATOM 0 H8 G B 5 -0.434 12.388 -10.153 1.00 0.00 H new ATOM 0 H1 G B 5 0.789 6.969 -6.914 1.00 0.00 H new ATOM 0 H21 G B 5 3.859 8.469 -6.243 1.00 0.00 H new ATOM 0 H22 G B 5 2.820 7.052 -6.059 1.00 0.00 H new ATOM 1121 P A B 6 5.248 15.814 -10.070 1.00 0.00 P ATOM 1122 OP1 A B 6 4.879 16.783 -9.014 1.00 0.00 O ATOM 1123 OP2 A B 6 5.148 16.211 -11.491 1.00 0.00 O ATOM 1124 O5' A B 6 6.755 15.318 -9.806 1.00 0.00 O ATOM 1125 C5' A B 6 7.204 15.033 -8.504 1.00 0.00 C ATOM 1126 C4' A B 6 8.647 14.517 -8.517 1.00 0.00 C ATOM 1127 O4' A B 6 9.521 15.549 -8.948 1.00 0.00 O ATOM 1128 C3' A B 6 9.027 14.155 -7.073 1.00 0.00 C ATOM 1129 O3' A B 6 9.959 13.091 -6.986 1.00 0.00 O ATOM 1130 C2' A B 6 9.705 15.440 -6.637 1.00 0.00 C ATOM 1131 O2' A B 6 10.571 15.247 -5.545 1.00 0.00 O ATOM 1132 C1' A B 6 10.443 15.813 -7.908 1.00 0.00 C ATOM 1133 N9 A B 6 10.887 17.222 -7.897 1.00 0.00 N ATOM 1134 C8 A B 6 11.087 18.038 -6.811 1.00 0.00 C ATOM 1135 N7 A B 6 11.517 19.231 -7.118 1.00 0.00 N ATOM 1136 C5 A B 6 11.599 19.206 -8.509 1.00 0.00 C ATOM 1137 C6 A B 6 11.981 20.160 -9.476 1.00 0.00 C ATOM 1138 N6 A B 6 12.369 21.400 -9.182 1.00 0.00 N ATOM 1139 N1 A B 6 11.954 19.809 -10.771 1.00 0.00 N ATOM 1140 C2 A B 6 11.569 18.581 -11.093 1.00 0.00 C ATOM 1141 N3 A B 6 11.185 17.597 -10.293 1.00 0.00 N ATOM 1142 C4 A B 6 11.220 17.984 -8.993 1.00 0.00 C ATOM 0 H5' A B 6 6.553 14.288 -8.047 1.00 0.00 H new ATOM 0 H5'' A B 6 7.142 15.931 -7.890 1.00 0.00 H new ATOM 0 H4' A B 6 8.728 13.659 -9.185 1.00 0.00 H new ATOM 0 H3' A B 6 8.172 13.824 -6.484 1.00 0.00 H new ATOM 0 H2' A B 6 9.023 16.208 -6.273 1.00 0.00 H new ATOM 0 HO2' A B 6 11.444 14.943 -5.870 1.00 0.00 H new ATOM 0 H1' A B 6 11.363 15.241 -8.029 1.00 0.00 H new ATOM 0 H8 A B 6 10.905 17.721 -5.795 1.00 0.00 H new ATOM 0 H61 A B 6 12.633 22.042 -9.929 1.00 0.00 H new ATOM 0 H62 A B 6 12.402 21.707 -8.210 1.00 0.00 H new ATOM 0 H2 A B 6 11.568 18.353 -12.149 1.00 0.00 H new ATOM 1154 P U B 7 9.736 11.685 -7.723 1.00 0.00 P ATOM 1155 OP1 U B 7 8.337 11.609 -8.188 1.00 0.00 O ATOM 1156 OP2 U B 7 10.295 10.619 -6.865 1.00 0.00 O ATOM 1157 O5' U B 7 10.682 11.876 -9.006 1.00 0.00 O ATOM 1158 C5' U B 7 12.077 11.696 -8.892 1.00 0.00 C ATOM 1159 C4' U B 7 12.794 12.593 -9.897 1.00 0.00 C ATOM 1160 O4' U B 7 12.722 13.941 -9.432 1.00 0.00 O ATOM 1161 C3' U B 7 14.273 12.238 -9.964 1.00 0.00 C ATOM 1162 O3' U B 7 14.805 12.703 -11.188 1.00 0.00 O ATOM 1163 C2' U B 7 14.814 13.041 -8.792 1.00 0.00 C ATOM 1164 O2' U B 7 16.202 13.279 -8.919 1.00 0.00 O ATOM 1165 C1' U B 7 13.984 14.316 -8.903 1.00 0.00 C ATOM 1166 N1 U B 7 13.869 15.018 -7.601 1.00 0.00 N ATOM 1167 C2 U B 7 14.195 16.365 -7.567 1.00 0.00 C ATOM 1168 O2 U B 7 14.500 17.000 -8.571 1.00 0.00 O ATOM 1169 N3 U B 7 14.157 16.975 -6.322 1.00 0.00 N ATOM 1170 C4 U B 7 13.823 16.363 -5.125 1.00 0.00 C ATOM 1171 O4 U B 7 13.847 16.986 -4.063 1.00 0.00 O ATOM 1172 C5 U B 7 13.458 14.976 -5.263 1.00 0.00 C ATOM 1173 C6 U B 7 13.479 14.360 -6.468 1.00 0.00 C ATOM 0 H5' U B 7 12.335 10.652 -9.072 1.00 0.00 H new ATOM 0 H5'' U B 7 12.403 11.934 -7.880 1.00 0.00 H new ATOM 0 H4' U B 7 12.326 12.465 -10.873 1.00 0.00 H new ATOM 0 H3' U B 7 14.506 11.174 -9.914 1.00 0.00 H new ATOM 0 H2' U B 7 14.729 12.547 -7.824 1.00 0.00 H new ATOM 0 HO2' U B 7 16.516 13.799 -8.150 1.00 0.00 H new ATOM 0 HO3' U B 7 15.685 13.104 -11.031 1.00 0.00 H new ATOM 0 H1' U B 7 14.468 15.034 -9.565 1.00 0.00 H new ATOM 0 H3 U B 7 14.397 17.966 -6.284 1.00 0.00 H new ATOM 0 H5 U B 7 13.162 14.417 -4.388 1.00 0.00 H new ATOM 0 H6 U B 7 13.181 13.324 -6.536 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -2.478 1.139 -10.520 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.869 -4.017 5.921 1.00 0.00 ZN