USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=23 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+ -160:sc= -0.0969 (180deg=-0.479) USER MOD Set 1.2: B 4 A O2' : rot 180:sc= -0.0163 USER MOD Set 2.1: A 159 LYS NZ :NH3+ 139:sc= 0.942 (180deg=-0.395) USER MOD Set 2.2: B 2 G O2' : rot 48:sc= 0.657 USER MOD Set 3.1: A 125 LYS NZ :NH3+ 145:sc= 1.21 (180deg=0) USER MOD Set 3.2: A 180 GLN : amide:sc= 1.05 K(o=2.3,f=-10!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot -116:sc= 0.3 USER MOD Single : A 129 MET CE :methyl -165:sc=-0.00106 (180deg=-0.235) USER MOD Single : A 130 GLN : amide:sc= 0.813 K(o=0.81,f=-0.43) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0.00226 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 30:sc= 0.676 USER MOD Single : A 141 ASN : amide:sc= -0.865 X(o=-0.87,f=-0.62) USER MOD Single : A 148 HIS : no HD1:sc= -0.0083 X(o=-0.0083,f=-0.0038) USER MOD Single : A 153 LYS NZ :NH3+ 168:sc= -0.0268 (180deg=-0.199) USER MOD Single : A 157 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.092) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-1.6) USER MOD Single : A 165 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.6) USER MOD Single : A 166 SER OG : rot 74:sc= 1.32 USER MOD Single : A 168 SER OG : rot 180:sc= -0.246 USER MOD Single : A 170 MET CE :methyl -175:sc= -3.57! (180deg=-3.66!) USER MOD Single : A 173 SER OG : rot -46:sc= 0.199 USER MOD Single : A 177 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.096) USER MOD Single : A 179 GLN : amide:sc= -0.502 K(o=-0.5,f=-2.1!) USER MOD Single : A 183 SER OG : rot 180:sc= -0.115 USER MOD Single : A 185 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 1 A O2' : rot 42:sc= -1.04 USER MOD Single : B 1 A O5' : rot 180:sc= 0 USER MOD Single : B 3 G O2' : rot 180:sc= -0.0411 USER MOD Single : B 5 G O2' : rot 16:sc= 0.199 USER MOD Single : B 6 A O2' : rot 77:sc= 1.49 USER MOD Single : B 7 U O2' : rot 180:sc= 0 USER MOD Single : B 7 U O3' : rot 138:sc= 0.0847 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 20.658 -4.514 4.789 1.00 0.00 N ATOM 2 CA PRO A 124 21.087 -5.127 3.526 1.00 0.00 C ATOM 3 C PRO A 124 19.929 -5.788 2.782 1.00 0.00 C ATOM 4 O PRO A 124 19.837 -7.015 2.716 1.00 0.00 O ATOM 5 CB PRO A 124 22.209 -6.101 3.894 1.00 0.00 C ATOM 6 CG PRO A 124 22.853 -5.463 5.131 1.00 0.00 C ATOM 7 CD PRO A 124 21.943 -4.273 5.461 1.00 0.00 C ATOM 0 HA PRO A 124 21.452 -4.379 2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 124 21.820 -7.095 4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 124 22.926 -6.211 3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 124 22.903 -6.167 5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 124 23.873 -5.139 4.926 1.00 0.00 H new ATOM 0 HD2 PRO A 124 21.803 -4.182 6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 124 22.389 -3.340 5.117 1.00 0.00 H new ATOM 15 N LYS A 125 19.040 -4.963 2.219 1.00 0.00 N ATOM 16 CA LYS A 125 17.859 -5.439 1.510 1.00 0.00 C ATOM 17 C LYS A 125 17.391 -4.386 0.508 1.00 0.00 C ATOM 18 O LYS A 125 17.767 -3.217 0.613 1.00 0.00 O ATOM 19 CB LYS A 125 16.764 -5.739 2.542 1.00 0.00 C ATOM 20 CG LYS A 125 15.541 -6.385 1.893 1.00 0.00 C ATOM 21 CD LYS A 125 14.570 -6.894 2.956 1.00 0.00 C ATOM 22 CE LYS A 125 13.388 -7.558 2.253 1.00 0.00 C ATOM 23 NZ LYS A 125 12.477 -8.205 3.214 1.00 0.00 N ATOM 0 H LYS A 125 19.124 -3.947 2.245 1.00 0.00 H new ATOM 0 HA LYS A 125 18.091 -6.347 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.160 -6.401 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 125 16.468 -4.815 3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.039 -5.661 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.856 -7.211 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.068 -7.606 3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.225 -6.070 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.840 -6.811 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.756 -8.300 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.497 -8.116 2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.723 -9.212 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.568 -7.745 4.142 1.00 0.00 H new ATOM 37 N GLY A 126 16.574 -4.800 -0.462 1.00 0.00 N ATOM 38 CA GLY A 126 16.020 -3.921 -1.477 1.00 0.00 C ATOM 39 C GLY A 126 14.996 -2.954 -0.890 1.00 0.00 C ATOM 40 O GLY A 126 14.892 -2.820 0.329 1.00 0.00 O ATOM 0 H GLY A 126 16.278 -5.771 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 126 16.825 -3.357 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.550 -4.518 -2.258 1.00 0.00 H new ATOM 44 N LYS A 127 14.240 -2.284 -1.769 1.00 0.00 N ATOM 45 CA LYS A 127 13.273 -1.253 -1.401 1.00 0.00 C ATOM 46 C LYS A 127 13.960 -0.129 -0.617 1.00 0.00 C ATOM 47 O LYS A 127 15.188 -0.109 -0.527 1.00 0.00 O ATOM 48 CB LYS A 127 12.121 -1.890 -0.612 1.00 0.00 C ATOM 49 CG LYS A 127 11.510 -3.096 -1.341 1.00 0.00 C ATOM 50 CD LYS A 127 10.837 -2.721 -2.661 1.00 0.00 C ATOM 51 CE LYS A 127 9.561 -1.923 -2.401 1.00 0.00 C ATOM 52 NZ LYS A 127 8.879 -1.594 -3.658 1.00 0.00 N ATOM 0 H LYS A 127 14.288 -2.450 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 127 12.855 -0.802 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.485 -2.206 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.346 -1.143 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 127 12.292 -3.830 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 127 10.778 -3.574 -0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 127 11.523 -2.134 -3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 127 10.601 -3.623 -3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.892 -2.498 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.805 -1.006 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.015 -1.052 -3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.511 -1.025 -4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 8.627 -2.471 -4.156 1.00 0.00 H new ATOM 66 N SER A 128 13.180 0.799 -0.056 1.00 0.00 N ATOM 67 CA SER A 128 13.721 1.907 0.718 1.00 0.00 C ATOM 68 C SER A 128 14.708 2.733 -0.102 1.00 0.00 C ATOM 69 O SER A 128 14.743 2.620 -1.329 1.00 0.00 O ATOM 70 CB SER A 128 14.342 1.354 2.007 1.00 0.00 C ATOM 71 OG SER A 128 14.674 2.406 2.888 1.00 0.00 O ATOM 0 H SER A 128 12.163 0.799 -0.128 1.00 0.00 H new ATOM 0 HA SER A 128 12.918 2.593 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 128 13.642 0.673 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 128 15.235 0.776 1.768 1.00 0.00 H new ATOM 0 HG SER A 128 15.645 2.428 3.020 1.00 0.00 H new ATOM 77 N MET A 129 15.511 3.563 0.573 1.00 0.00 N ATOM 78 CA MET A 129 16.540 4.370 -0.057 1.00 0.00 C ATOM 79 C MET A 129 15.980 5.222 -1.192 1.00 0.00 C ATOM 80 O MET A 129 16.653 5.482 -2.191 1.00 0.00 O ATOM 81 CB MET A 129 17.660 3.443 -0.514 1.00 0.00 C ATOM 82 CG MET A 129 18.349 2.799 0.694 1.00 0.00 C ATOM 83 SD MET A 129 19.534 1.500 0.272 1.00 0.00 S ATOM 84 CE MET A 129 18.388 0.207 -0.261 1.00 0.00 C ATOM 0 H MET A 129 15.457 3.688 1.584 1.00 0.00 H new ATOM 0 HA MET A 129 16.942 5.084 0.662 1.00 0.00 H new ATOM 0 HB2 MET A 129 17.256 2.668 -1.166 1.00 0.00 H new ATOM 0 HB3 MET A 129 18.388 4.004 -1.099 1.00 0.00 H new ATOM 0 HG2 MET A 129 18.865 3.575 1.259 1.00 0.00 H new ATOM 0 HG3 MET A 129 17.587 2.380 1.351 1.00 0.00 H new ATOM 0 HE1 MET A 129 18.912 -0.748 -0.304 1.00 0.00 H new ATOM 0 HE2 MET A 129 17.563 0.137 0.448 1.00 0.00 H new ATOM 0 HE3 MET A 129 17.997 0.452 -1.249 1.00 0.00 H new ATOM 94 N GLN A 130 14.731 5.653 -1.039 1.00 0.00 N ATOM 95 CA GLN A 130 14.019 6.434 -2.036 1.00 0.00 C ATOM 96 C GLN A 130 14.593 7.844 -2.156 1.00 0.00 C ATOM 97 O GLN A 130 15.381 8.289 -1.320 1.00 0.00 O ATOM 98 CB GLN A 130 12.529 6.491 -1.681 1.00 0.00 C ATOM 99 CG GLN A 130 11.910 5.091 -1.709 1.00 0.00 C ATOM 100 CD GLN A 130 12.014 4.473 -3.098 1.00 0.00 C ATOM 101 OE1 GLN A 130 11.363 4.928 -4.032 1.00 0.00 O ATOM 102 NE2 GLN A 130 12.833 3.433 -3.242 1.00 0.00 N ATOM 0 H GLN A 130 14.179 5.464 -0.202 1.00 0.00 H new ATOM 0 HA GLN A 130 14.141 5.947 -3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 130 12.403 6.930 -0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 130 12.007 7.139 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 130 12.415 4.452 -0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 130 10.863 5.147 -1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 130 13.358 3.083 -2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 130 12.935 2.987 -4.153 1.00 0.00 H new ATOM 111 N LYS A 131 14.182 8.552 -3.214 1.00 0.00 N ATOM 112 CA LYS A 131 14.607 9.908 -3.530 1.00 0.00 C ATOM 113 C LYS A 131 13.413 10.647 -4.124 1.00 0.00 C ATOM 114 O LYS A 131 12.995 10.346 -5.244 1.00 0.00 O ATOM 115 CB LYS A 131 15.748 9.864 -4.554 1.00 0.00 C ATOM 116 CG LYS A 131 17.045 9.297 -3.964 1.00 0.00 C ATOM 117 CD LYS A 131 17.655 10.222 -2.908 1.00 0.00 C ATOM 118 CE LYS A 131 18.026 11.574 -3.522 1.00 0.00 C ATOM 119 NZ LYS A 131 18.722 12.432 -2.546 1.00 0.00 N ATOM 0 H LYS A 131 13.521 8.177 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 131 14.961 10.416 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 131 15.444 9.256 -5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 131 15.933 10.870 -4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 131 16.843 8.323 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 131 17.767 9.138 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 131 16.946 10.369 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 131 18.542 9.756 -2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 131 18.664 11.418 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 131 17.125 12.076 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 18.961 13.341 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 18.103 12.599 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 19.594 11.962 -2.230 1.00 0.00 H new ATOM 133 N ARG A 132 12.866 11.613 -3.373 1.00 0.00 N ATOM 134 CA ARG A 132 11.630 12.301 -3.728 1.00 0.00 C ATOM 135 C ARG A 132 10.524 11.306 -4.097 1.00 0.00 C ATOM 136 O ARG A 132 10.605 10.129 -3.748 1.00 0.00 O ATOM 137 CB ARG A 132 11.934 13.331 -4.812 1.00 0.00 C ATOM 138 CG ARG A 132 12.387 14.603 -4.095 1.00 0.00 C ATOM 139 CD ARG A 132 13.185 15.498 -5.027 1.00 0.00 C ATOM 140 NE ARG A 132 12.444 15.874 -6.237 1.00 0.00 N ATOM 141 CZ ARG A 132 13.010 16.180 -7.409 1.00 0.00 C ATOM 142 NH1 ARG A 132 14.332 16.174 -7.555 1.00 0.00 N ATOM 143 NH2 ARG A 132 12.245 16.498 -8.446 1.00 0.00 N ATOM 0 H ARG A 132 13.276 11.937 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 132 11.235 12.843 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 132 12.712 12.968 -5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 132 11.051 13.524 -5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 132 11.517 15.144 -3.722 1.00 0.00 H new ATOM 0 HG3 ARG A 132 12.994 14.340 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 132 13.478 16.401 -4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 132 14.103 14.986 -5.315 1.00 0.00 H new ATOM 0 HE ARG A 132 11.426 15.904 -6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 132 14.931 15.933 -6.765 1.00 0.00 H new ATOM 0 HH12 ARG A 132 14.747 16.410 -8.457 1.00 0.00 H new ATOM 0 HH21 ARG A 132 11.230 16.508 -8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 132 12.672 16.732 -9.342 1.00 0.00 H new ATOM 157 N ARG A 133 9.484 11.771 -4.800 1.00 0.00 N ATOM 158 CA ARG A 133 8.376 10.928 -5.248 1.00 0.00 C ATOM 159 C ARG A 133 8.127 11.103 -6.737 1.00 0.00 C ATOM 160 O ARG A 133 7.124 10.638 -7.275 1.00 0.00 O ATOM 161 CB ARG A 133 7.117 11.252 -4.455 1.00 0.00 C ATOM 162 CG ARG A 133 7.318 10.963 -2.969 1.00 0.00 C ATOM 163 CD ARG A 133 6.184 11.625 -2.197 1.00 0.00 C ATOM 164 NE ARG A 133 4.888 11.057 -2.571 1.00 0.00 N ATOM 165 CZ ARG A 133 3.726 11.718 -2.534 1.00 0.00 C ATOM 166 NH1 ARG A 133 3.653 12.969 -2.095 1.00 0.00 N ATOM 167 NH2 ARG A 133 2.607 11.128 -2.938 1.00 0.00 N ATOM 0 H ARG A 133 9.390 12.749 -5.074 1.00 0.00 H new ATOM 0 HA ARG A 133 8.644 9.886 -5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 133 6.856 12.301 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 133 6.282 10.663 -4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 133 7.324 9.888 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 133 8.281 11.348 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 133 6.345 11.496 -1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 133 6.184 12.697 -2.393 1.00 0.00 H new ATOM 0 HE ARG A 133 4.870 10.086 -2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 133 4.495 13.448 -1.776 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.755 13.451 -2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.631 10.167 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.723 11.636 -2.908 1.00 0.00 H new ATOM 181 N SER A 134 9.054 11.789 -7.401 1.00 0.00 N ATOM 182 CA SER A 134 9.028 11.983 -8.839 1.00 0.00 C ATOM 183 C SER A 134 9.193 10.649 -9.562 1.00 0.00 C ATOM 184 O SER A 134 8.776 10.507 -10.712 1.00 0.00 O ATOM 185 CB SER A 134 10.153 12.930 -9.241 1.00 0.00 C ATOM 186 OG SER A 134 11.366 12.436 -8.715 1.00 0.00 O ATOM 0 H SER A 134 9.853 12.230 -6.945 1.00 0.00 H new ATOM 0 HA SER A 134 8.067 12.413 -9.121 1.00 0.00 H new ATOM 0 HB2 SER A 134 10.214 13.006 -10.327 1.00 0.00 H new ATOM 0 HB3 SER A 134 9.957 13.933 -8.862 1.00 0.00 H new ATOM 0 HG SER A 134 12.100 13.035 -8.967 1.00 0.00 H new ATOM 192 N LYS A 135 9.803 9.671 -8.883 1.00 0.00 N ATOM 193 CA LYS A 135 10.001 8.331 -9.406 1.00 0.00 C ATOM 194 C LYS A 135 10.293 7.406 -8.230 1.00 0.00 C ATOM 195 O LYS A 135 10.858 7.843 -7.229 1.00 0.00 O ATOM 196 CB LYS A 135 11.184 8.361 -10.377 1.00 0.00 C ATOM 197 CG LYS A 135 11.407 7.003 -11.048 1.00 0.00 C ATOM 198 CD LYS A 135 12.491 7.110 -12.129 1.00 0.00 C ATOM 199 CE LYS A 135 13.824 7.538 -11.516 1.00 0.00 C ATOM 200 NZ LYS A 135 14.887 7.599 -12.532 1.00 0.00 N ATOM 0 H LYS A 135 10.175 9.799 -7.942 1.00 0.00 H new ATOM 0 HA LYS A 135 9.118 7.973 -9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 135 11.008 9.119 -11.141 1.00 0.00 H new ATOM 0 HB3 LYS A 135 12.087 8.653 -9.840 1.00 0.00 H new ATOM 0 HG2 LYS A 135 11.701 6.266 -10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 135 10.475 6.653 -11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.607 6.149 -12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 135 12.186 7.831 -12.887 1.00 0.00 H new ATOM 0 HE2 LYS A 135 13.713 8.514 -11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 135 14.108 6.836 -10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 15.779 7.892 -12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 15.009 6.661 -12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 14.626 8.287 -13.267 1.00 0.00 H new ATOM 214 N GLY A 136 9.908 6.130 -8.339 1.00 0.00 N ATOM 215 CA GLY A 136 10.196 5.150 -7.303 1.00 0.00 C ATOM 216 C GLY A 136 8.934 4.544 -6.696 1.00 0.00 C ATOM 217 O GLY A 136 9.012 3.849 -5.689 1.00 0.00 O ATOM 0 H GLY A 136 9.395 5.758 -9.138 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.810 4.354 -7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.782 5.623 -6.515 1.00 0.00 H new ATOM 221 N ASP A 137 7.765 4.801 -7.284 1.00 0.00 N ATOM 222 CA ASP A 137 6.515 4.281 -6.757 1.00 0.00 C ATOM 223 C ASP A 137 5.608 3.806 -7.891 1.00 0.00 C ATOM 224 O ASP A 137 6.000 3.833 -9.057 1.00 0.00 O ATOM 225 CB ASP A 137 5.850 5.355 -5.887 1.00 0.00 C ATOM 226 CG ASP A 137 5.153 4.752 -4.676 1.00 0.00 C ATOM 227 OD1 ASP A 137 4.392 3.781 -4.864 1.00 0.00 O ATOM 228 OD2 ASP A 137 5.394 5.270 -3.565 1.00 0.00 O ATOM 0 H ASP A 137 7.664 5.367 -8.126 1.00 0.00 H new ATOM 0 HA ASP A 137 6.709 3.410 -6.130 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.602 6.070 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.126 5.909 -6.484 1.00 0.00 H new ATOM 233 N ARG A 138 4.392 3.370 -7.550 1.00 0.00 N ATOM 234 CA ARG A 138 3.467 2.735 -8.479 1.00 0.00 C ATOM 235 C ARG A 138 2.069 3.330 -8.318 1.00 0.00 C ATOM 236 O ARG A 138 1.840 4.115 -7.399 1.00 0.00 O ATOM 237 CB ARG A 138 3.469 1.231 -8.186 1.00 0.00 C ATOM 238 CG ARG A 138 4.816 0.595 -8.559 1.00 0.00 C ATOM 239 CD ARG A 138 4.929 -0.826 -8.005 1.00 0.00 C ATOM 240 NE ARG A 138 6.291 -1.358 -8.147 1.00 0.00 N ATOM 241 CZ ARG A 138 7.360 -0.940 -7.462 1.00 0.00 C ATOM 242 NH1 ARG A 138 7.262 0.013 -6.540 1.00 0.00 N ATOM 243 NH2 ARG A 138 8.543 -1.484 -7.706 1.00 0.00 N ATOM 0 H ARG A 138 4.021 3.452 -6.603 1.00 0.00 H new ATOM 0 HA ARG A 138 3.775 2.907 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.265 1.063 -7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.668 0.748 -8.746 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.924 0.575 -9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.630 1.206 -8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.645 -0.830 -6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.228 -1.477 -8.527 1.00 0.00 H new ATOM 0 HE ARG A 138 6.433 -2.108 -8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.357 0.441 -6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.091 0.316 -6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.632 -2.215 -8.411 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.365 -1.172 -7.188 1.00 0.00 H new ATOM 257 N CYS A 139 1.143 2.960 -9.204 1.00 0.00 N ATOM 258 CA CYS A 139 -0.246 3.380 -9.208 1.00 0.00 C ATOM 259 C CYS A 139 -0.821 3.354 -7.792 1.00 0.00 C ATOM 260 O CYS A 139 -0.907 2.298 -7.161 1.00 0.00 O ATOM 261 CB CYS A 139 -1.013 2.465 -10.175 1.00 0.00 C ATOM 262 SG CYS A 139 -2.799 2.567 -9.914 1.00 0.00 S ATOM 0 H CYS A 139 1.360 2.327 -9.974 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.339 4.411 -9.550 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.779 2.743 -11.203 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.683 1.435 -10.040 1.00 0.00 H new ATOM 267 N TYR A 140 -1.215 4.530 -7.299 1.00 0.00 N ATOM 268 CA TYR A 140 -1.795 4.694 -5.976 1.00 0.00 C ATOM 269 C TYR A 140 -3.207 4.111 -5.902 1.00 0.00 C ATOM 270 O TYR A 140 -3.900 4.334 -4.913 1.00 0.00 O ATOM 271 CB TYR A 140 -1.844 6.187 -5.631 1.00 0.00 C ATOM 272 CG TYR A 140 -0.515 6.871 -5.390 1.00 0.00 C ATOM 273 CD1 TYR A 140 0.691 6.148 -5.349 1.00 0.00 C ATOM 274 CD2 TYR A 140 -0.505 8.256 -5.191 1.00 0.00 C ATOM 275 CE1 TYR A 140 1.901 6.810 -5.090 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.698 8.929 -4.932 1.00 0.00 C ATOM 277 CZ TYR A 140 1.907 8.208 -4.878 1.00 0.00 C ATOM 278 OH TYR A 140 3.069 8.862 -4.616 1.00 0.00 O ATOM 0 H TYR A 140 -1.137 5.404 -7.819 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.171 4.156 -5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.353 6.708 -6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.458 6.310 -4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 140 0.686 5.081 -5.517 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.430 8.811 -5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 140 2.826 6.253 -5.053 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.697 9.997 -4.774 1.00 0.00 H new ATOM 0 HH TYR A 140 3.812 8.396 -5.053 1.00 0.00 H new ATOM 288 N ASN A 141 -3.641 3.374 -6.929 1.00 0.00 N ATOM 289 CA ASN A 141 -4.963 2.780 -6.936 1.00 0.00 C ATOM 290 C ASN A 141 -4.892 1.256 -6.996 1.00 0.00 C ATOM 291 O ASN A 141 -5.761 0.592 -6.434 1.00 0.00 O ATOM 292 CB ASN A 141 -5.742 3.336 -8.125 1.00 0.00 C ATOM 293 CG ASN A 141 -7.192 2.890 -8.136 1.00 0.00 C ATOM 294 OD1 ASN A 141 -8.073 3.652 -7.749 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.461 1.668 -8.579 1.00 0.00 N ATOM 0 H ASN A 141 -3.088 3.180 -7.764 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.474 3.036 -6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.701 4.425 -8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.261 3.017 -9.050 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.425 1.336 -8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.704 1.061 -8.893 1.00 0.00 H new ATOM 302 N CYS A 142 -3.879 0.689 -7.667 1.00 0.00 N ATOM 303 CA CYS A 142 -3.729 -0.754 -7.767 1.00 0.00 C ATOM 304 C CYS A 142 -2.358 -1.218 -7.304 1.00 0.00 C ATOM 305 O CYS A 142 -2.238 -2.245 -6.638 1.00 0.00 O ATOM 306 CB CYS A 142 -4.034 -1.185 -9.200 1.00 0.00 C ATOM 307 SG CYS A 142 -2.660 -0.823 -10.308 1.00 0.00 S ATOM 0 H CYS A 142 -3.152 1.219 -8.148 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.441 -1.235 -7.096 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -4.248 -2.254 -9.221 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.930 -0.674 -9.551 1.00 0.00 H new ATOM 312 N GLY A 143 -1.329 -0.443 -7.671 1.00 0.00 N ATOM 313 CA GLY A 143 0.053 -0.760 -7.371 1.00 0.00 C ATOM 314 C GLY A 143 0.821 -1.147 -8.635 1.00 0.00 C ATOM 315 O GLY A 143 1.917 -1.692 -8.534 1.00 0.00 O ATOM 0 H GLY A 143 -1.445 0.428 -8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.532 0.099 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 143 0.093 -1.579 -6.653 1.00 0.00 H new ATOM 319 N GLY A 144 0.262 -0.869 -9.817 1.00 0.00 N ATOM 320 CA GLY A 144 0.908 -1.153 -11.090 1.00 0.00 C ATOM 321 C GLY A 144 1.911 -0.067 -11.456 1.00 0.00 C ATOM 322 O GLY A 144 1.829 1.049 -10.962 1.00 0.00 O ATOM 0 H GLY A 144 -0.658 -0.438 -9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 144 1.415 -2.116 -11.036 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.154 -1.233 -11.873 1.00 0.00 H new ATOM 326 N LEU A 145 2.865 -0.378 -12.331 1.00 0.00 N ATOM 327 CA LEU A 145 3.971 0.523 -12.636 1.00 0.00 C ATOM 328 C LEU A 145 3.843 1.095 -14.038 1.00 0.00 C ATOM 329 O LEU A 145 4.449 2.119 -14.352 1.00 0.00 O ATOM 330 CB LEU A 145 5.319 -0.203 -12.536 1.00 0.00 C ATOM 331 CG LEU A 145 5.235 -1.731 -12.576 1.00 0.00 C ATOM 332 CD1 LEU A 145 6.606 -2.308 -12.908 1.00 0.00 C ATOM 333 CD2 LEU A 145 4.827 -2.264 -11.203 1.00 0.00 C ATOM 0 H LEU A 145 2.892 -1.258 -12.846 1.00 0.00 H new ATOM 0 HA LEU A 145 3.930 1.330 -11.904 1.00 0.00 H new ATOM 0 HB2 LEU A 145 5.957 0.132 -13.354 1.00 0.00 H new ATOM 0 HB3 LEU A 145 5.807 0.095 -11.608 1.00 0.00 H new ATOM 0 HG LEU A 145 4.502 -2.020 -13.329 1.00 0.00 H new ATOM 0 HD11 LEU A 145 6.546 -3.396 -12.936 1.00 0.00 H new ATOM 0 HD12 LEU A 145 6.931 -1.937 -13.880 1.00 0.00 H new ATOM 0 HD13 LEU A 145 7.323 -2.004 -12.145 1.00 0.00 H new ATOM 0 HD21 LEU A 145 4.769 -3.352 -11.238 1.00 0.00 H new ATOM 0 HD22 LEU A 145 5.567 -1.964 -10.461 1.00 0.00 H new ATOM 0 HD23 LEU A 145 3.853 -1.857 -10.929 1.00 0.00 H new ATOM 345 N ASP A 146 3.054 0.432 -14.881 1.00 0.00 N ATOM 346 CA ASP A 146 2.862 0.826 -16.270 1.00 0.00 C ATOM 347 C ASP A 146 1.846 1.967 -16.386 1.00 0.00 C ATOM 348 O ASP A 146 1.537 2.416 -17.483 1.00 0.00 O ATOM 349 CB ASP A 146 2.431 -0.424 -17.040 1.00 0.00 C ATOM 350 CG ASP A 146 2.156 -0.158 -18.515 1.00 0.00 C ATOM 351 OD1 ASP A 146 2.997 0.510 -19.158 1.00 0.00 O ATOM 352 OD2 ASP A 146 1.098 -0.629 -18.991 1.00 0.00 O ATOM 0 H ASP A 146 2.527 -0.400 -14.615 1.00 0.00 H new ATOM 0 HA ASP A 146 3.786 1.216 -16.696 1.00 0.00 H new ATOM 0 HB2 ASP A 146 3.210 -1.182 -16.954 1.00 0.00 H new ATOM 0 HB3 ASP A 146 1.533 -0.835 -16.578 1.00 0.00 H new ATOM 357 N HIS A 147 1.315 2.431 -15.251 1.00 0.00 N ATOM 358 CA HIS A 147 0.315 3.486 -15.225 1.00 0.00 C ATOM 359 C HIS A 147 0.252 4.128 -13.838 1.00 0.00 C ATOM 360 O HIS A 147 1.095 3.849 -12.983 1.00 0.00 O ATOM 361 CB HIS A 147 -1.042 2.876 -15.592 1.00 0.00 C ATOM 362 CG HIS A 147 -1.489 1.824 -14.620 1.00 0.00 C ATOM 363 ND1 HIS A 147 -1.105 0.506 -14.593 1.00 0.00 N ATOM 364 CD2 HIS A 147 -2.356 2.013 -13.583 1.00 0.00 C ATOM 365 CE1 HIS A 147 -1.708 -0.074 -13.537 1.00 0.00 C ATOM 366 NE2 HIS A 147 -2.502 0.803 -12.898 1.00 0.00 N ATOM 0 H HIS A 147 1.571 2.081 -14.328 1.00 0.00 H new ATOM 0 HA HIS A 147 0.579 4.263 -15.942 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -1.791 3.667 -15.634 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -0.982 2.440 -16.589 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -0.477 0.048 -15.253 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.847 2.942 -13.333 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -1.572 -1.104 -13.243 1.00 0.00 H new ATOM 374 N HIS A 148 -0.746 4.981 -13.611 1.00 0.00 N ATOM 375 CA HIS A 148 -0.958 5.664 -12.339 1.00 0.00 C ATOM 376 C HIS A 148 -2.426 5.555 -11.933 1.00 0.00 C ATOM 377 O HIS A 148 -3.255 5.093 -12.712 1.00 0.00 O ATOM 378 CB HIS A 148 -0.550 7.134 -12.459 1.00 0.00 C ATOM 379 CG HIS A 148 0.915 7.332 -12.730 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.447 8.041 -13.807 1.00 0.00 N ATOM 381 CD2 HIS A 148 1.929 6.844 -11.962 1.00 0.00 C ATOM 382 CE1 HIS A 148 2.780 7.970 -13.658 1.00 0.00 C ATOM 383 NE2 HIS A 148 3.095 7.268 -12.561 1.00 0.00 N ATOM 0 H HIS A 148 -1.441 5.220 -14.319 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.343 5.192 -11.573 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -1.125 7.598 -13.261 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -0.814 7.652 -11.537 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.837 6.247 -11.067 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.498 8.417 -14.329 1.00 0.00 H new ATOM 0 HE2 HIS A 148 4.040 7.079 -12.226 1.00 0.00 H new ATOM 391 N ALA A 149 -2.750 5.977 -10.711 1.00 0.00 N ATOM 392 CA ALA A 149 -4.090 5.848 -10.155 1.00 0.00 C ATOM 393 C ALA A 149 -5.170 6.481 -11.033 1.00 0.00 C ATOM 394 O ALA A 149 -6.330 6.074 -10.987 1.00 0.00 O ATOM 395 CB ALA A 149 -4.098 6.493 -8.770 1.00 0.00 C ATOM 0 H ALA A 149 -2.084 6.420 -10.078 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.329 4.786 -10.098 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.094 6.408 -8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.377 5.987 -8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -3.829 7.546 -8.857 1.00 0.00 H new ATOM 401 N LYS A 150 -4.790 7.480 -11.831 1.00 0.00 N ATOM 402 CA LYS A 150 -5.704 8.192 -12.715 1.00 0.00 C ATOM 403 C LYS A 150 -5.878 7.493 -14.056 1.00 0.00 C ATOM 404 O LYS A 150 -6.736 7.877 -14.852 1.00 0.00 O ATOM 405 CB LYS A 150 -5.174 9.602 -12.937 1.00 0.00 C ATOM 406 CG LYS A 150 -3.764 9.611 -13.545 1.00 0.00 C ATOM 407 CD LYS A 150 -3.032 10.888 -13.144 1.00 0.00 C ATOM 408 CE LYS A 150 -2.679 10.831 -11.660 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.226 12.149 -11.176 1.00 0.00 N ATOM 0 H LYS A 150 -3.829 7.818 -11.880 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.683 8.217 -12.237 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.854 10.143 -13.596 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.160 10.135 -11.986 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.206 8.739 -13.203 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.827 9.544 -14.631 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.126 11.002 -13.740 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.658 11.757 -13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.548 10.508 -11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.896 10.090 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -1.683 12.028 -10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.623 12.595 -11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.052 12.754 -10.992 1.00 0.00 H new ATOM 423 N GLU A 151 -5.064 6.472 -14.298 1.00 0.00 N ATOM 424 CA GLU A 151 -5.134 5.652 -15.501 1.00 0.00 C ATOM 425 C GLU A 151 -5.400 4.187 -15.151 1.00 0.00 C ATOM 426 O GLU A 151 -5.423 3.333 -16.036 1.00 0.00 O ATOM 427 CB GLU A 151 -3.835 5.765 -16.291 1.00 0.00 C ATOM 428 CG GLU A 151 -3.412 7.215 -16.493 1.00 0.00 C ATOM 429 CD GLU A 151 -2.450 7.329 -17.667 1.00 0.00 C ATOM 430 OE1 GLU A 151 -2.928 7.169 -18.813 1.00 0.00 O ATOM 431 OE2 GLU A 151 -1.249 7.568 -17.411 1.00 0.00 O ATOM 0 H GLU A 151 -4.326 6.187 -13.654 1.00 0.00 H new ATOM 0 HA GLU A 151 -5.960 6.017 -16.111 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -3.045 5.227 -15.768 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.959 5.285 -17.262 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -4.290 7.835 -16.673 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.936 7.591 -15.587 1.00 0.00 H new ATOM 438 N CYS A 152 -5.597 3.904 -13.862 1.00 0.00 N ATOM 439 CA CYS A 152 -5.916 2.576 -13.376 1.00 0.00 C ATOM 440 C CYS A 152 -7.226 2.068 -13.970 1.00 0.00 C ATOM 441 O CYS A 152 -8.011 2.844 -14.516 1.00 0.00 O ATOM 442 CB CYS A 152 -5.946 2.598 -11.852 1.00 0.00 C ATOM 443 SG CYS A 152 -5.623 0.918 -11.287 1.00 0.00 S ATOM 0 H CYS A 152 -5.537 4.605 -13.123 1.00 0.00 H new ATOM 0 HA CYS A 152 -5.145 1.876 -13.698 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.195 3.286 -11.463 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.914 2.945 -11.491 1.00 0.00 H new ATOM 448 N LYS A 153 -7.457 0.758 -13.867 1.00 0.00 N ATOM 449 CA LYS A 153 -8.584 0.096 -14.519 1.00 0.00 C ATOM 450 C LYS A 153 -9.401 -0.781 -13.574 1.00 0.00 C ATOM 451 O LYS A 153 -10.363 -1.419 -14.001 1.00 0.00 O ATOM 452 CB LYS A 153 -8.086 -0.683 -15.734 1.00 0.00 C ATOM 453 CG LYS A 153 -6.754 -1.399 -15.517 1.00 0.00 C ATOM 454 CD LYS A 153 -6.843 -2.501 -14.470 1.00 0.00 C ATOM 455 CE LYS A 153 -7.839 -3.582 -14.878 1.00 0.00 C ATOM 456 NZ LYS A 153 -7.425 -4.254 -16.120 1.00 0.00 N ATOM 0 H LYS A 153 -6.865 0.126 -13.327 1.00 0.00 H new ATOM 0 HA LYS A 153 -9.275 0.872 -14.850 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -8.840 -1.419 -16.013 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -7.984 0.003 -16.575 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -6.418 -1.827 -16.461 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -6.001 -0.672 -15.211 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -5.859 -2.947 -14.326 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -7.142 -2.072 -13.514 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.929 -4.317 -14.078 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -8.825 -3.137 -15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -8.002 -5.108 -16.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -7.558 -3.609 -16.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -6.422 -4.521 -16.053 1.00 0.00 H new ATOM 470 N LEU A 154 -9.020 -0.823 -12.299 1.00 0.00 N ATOM 471 CA LEU A 154 -9.780 -1.509 -11.261 1.00 0.00 C ATOM 472 C LEU A 154 -10.202 -0.492 -10.199 1.00 0.00 C ATOM 473 O LEU A 154 -9.696 0.634 -10.189 1.00 0.00 O ATOM 474 CB LEU A 154 -8.959 -2.705 -10.745 1.00 0.00 C ATOM 475 CG LEU A 154 -7.497 -2.397 -10.465 1.00 0.00 C ATOM 476 CD1 LEU A 154 -7.423 -1.490 -9.252 1.00 0.00 C ATOM 477 CD2 LEU A 154 -6.758 -3.681 -10.129 1.00 0.00 C ATOM 0 H LEU A 154 -8.168 -0.378 -11.957 1.00 0.00 H new ATOM 0 HA LEU A 154 -10.708 -1.937 -11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -9.420 -3.077 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -9.013 -3.509 -11.479 1.00 0.00 H new ATOM 0 HG LEU A 154 -7.051 -1.926 -11.341 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.381 -1.257 -9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.966 -0.567 -9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.869 -1.993 -8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -5.710 -3.456 -9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -7.206 -4.138 -9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -6.827 -4.371 -10.970 1.00 0.00 H new ATOM 489 N PRO A 155 -11.121 -0.846 -9.295 1.00 0.00 N ATOM 490 CA PRO A 155 -11.588 0.045 -8.243 1.00 0.00 C ATOM 491 C PRO A 155 -10.459 0.314 -7.254 1.00 0.00 C ATOM 492 O PRO A 155 -9.441 -0.374 -7.292 1.00 0.00 O ATOM 493 CB PRO A 155 -12.772 -0.683 -7.597 1.00 0.00 C ATOM 494 CG PRO A 155 -12.460 -2.156 -7.852 1.00 0.00 C ATOM 495 CD PRO A 155 -11.776 -2.135 -9.214 1.00 0.00 C ATOM 0 HA PRO A 155 -11.898 1.021 -8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.845 -0.466 -6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.720 -0.389 -8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.810 -2.569 -7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -13.365 -2.763 -7.865 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -11.056 -2.948 -9.305 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -12.500 -2.259 -10.019 1.00 0.00 H new ATOM 503 N PRO A 156 -10.599 1.298 -6.362 1.00 0.00 N ATOM 504 CA PRO A 156 -9.527 1.686 -5.466 1.00 0.00 C ATOM 505 C PRO A 156 -9.174 0.546 -4.515 1.00 0.00 C ATOM 506 O PRO A 156 -9.923 0.231 -3.589 1.00 0.00 O ATOM 507 CB PRO A 156 -10.021 2.937 -4.744 1.00 0.00 C ATOM 508 CG PRO A 156 -11.540 2.859 -4.852 1.00 0.00 C ATOM 509 CD PRO A 156 -11.779 2.119 -6.166 1.00 0.00 C ATOM 0 HA PRO A 156 -8.601 1.903 -5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -9.696 2.950 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -9.635 3.844 -5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.973 2.323 -4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -11.991 3.851 -4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.680 1.507 -6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -11.914 2.817 -6.992 1.00 0.00 H new ATOM 517 N GLN A 157 -8.017 -0.071 -4.762 1.00 0.00 N ATOM 518 CA GLN A 157 -7.486 -1.133 -3.928 1.00 0.00 C ATOM 519 C GLN A 157 -6.843 -0.511 -2.694 1.00 0.00 C ATOM 520 O GLN A 157 -6.515 0.674 -2.706 1.00 0.00 O ATOM 521 CB GLN A 157 -6.408 -1.906 -4.696 1.00 0.00 C ATOM 522 CG GLN A 157 -6.912 -2.415 -6.042 1.00 0.00 C ATOM 523 CD GLN A 157 -8.061 -3.403 -5.904 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.968 -4.378 -5.161 1.00 0.00 O ATOM 525 NE2 GLN A 157 -9.156 -3.157 -6.616 1.00 0.00 N ATOM 0 H GLN A 157 -7.421 0.160 -5.557 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.293 -1.809 -3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.544 -1.261 -4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -6.070 -2.750 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -7.237 -1.569 -6.647 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -6.090 -2.892 -6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -9.197 -2.338 -7.222 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.956 -3.788 -6.556 1.00 0.00 H new ATOM 534 N PRO A 158 -6.646 -1.293 -1.633 1.00 0.00 N ATOM 535 CA PRO A 158 -5.932 -0.844 -0.458 1.00 0.00 C ATOM 536 C PRO A 158 -4.443 -0.757 -0.783 1.00 0.00 C ATOM 537 O PRO A 158 -3.847 -1.707 -1.289 1.00 0.00 O ATOM 538 CB PRO A 158 -6.228 -1.894 0.609 1.00 0.00 C ATOM 539 CG PRO A 158 -6.469 -3.170 -0.201 1.00 0.00 C ATOM 540 CD PRO A 158 -7.094 -2.665 -1.500 1.00 0.00 C ATOM 0 HA PRO A 158 -6.234 0.146 -0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.393 -2.009 1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.101 -1.626 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.539 -3.707 -0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.134 -3.856 0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.774 -3.267 -2.350 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.182 -2.721 -1.461 1.00 0.00 H new ATOM 548 N LYS A 159 -3.845 0.400 -0.489 1.00 0.00 N ATOM 549 CA LYS A 159 -2.424 0.622 -0.714 1.00 0.00 C ATOM 550 C LYS A 159 -1.633 -0.133 0.352 1.00 0.00 C ATOM 551 O LYS A 159 -1.510 0.310 1.490 1.00 0.00 O ATOM 552 CB LYS A 159 -2.090 2.117 -0.765 1.00 0.00 C ATOM 553 CG LYS A 159 -2.747 2.962 0.328 1.00 0.00 C ATOM 554 CD LYS A 159 -2.195 4.388 0.269 1.00 0.00 C ATOM 555 CE LYS A 159 -1.385 4.692 1.523 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.250 4.763 2.720 1.00 0.00 N ATOM 0 H LYS A 159 -4.333 1.202 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.138 0.231 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.009 2.235 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.391 2.509 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -3.829 2.973 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -2.552 2.525 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -1.568 4.507 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -3.015 5.100 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -0.628 3.921 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -0.857 5.637 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -1.777 4.294 3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.430 5.759 2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -3.153 4.286 2.524 1.00 0.00 H new ATOM 570 N LYS A 160 -1.096 -1.291 -0.038 1.00 0.00 N ATOM 571 CA LYS A 160 -0.348 -2.168 0.851 1.00 0.00 C ATOM 572 C LYS A 160 1.001 -1.568 1.227 1.00 0.00 C ATOM 573 O LYS A 160 1.511 -0.677 0.542 1.00 0.00 O ATOM 574 CB LYS A 160 -0.122 -3.497 0.135 1.00 0.00 C ATOM 575 CG LYS A 160 -1.429 -4.218 -0.171 1.00 0.00 C ATOM 576 CD LYS A 160 -1.271 -5.181 -1.341 1.00 0.00 C ATOM 577 CE LYS A 160 -2.473 -4.988 -2.265 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.428 -5.923 -3.407 1.00 0.00 N ATOM 0 H LYS A 160 -1.172 -1.646 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.920 -2.306 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.419 -3.319 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.508 -4.137 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.759 -4.766 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.204 -3.487 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.342 -4.984 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.223 -6.210 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.394 -5.141 -1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.491 -3.962 -2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.257 -5.768 -4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.560 -5.759 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.436 -6.902 -3.055 1.00 0.00 H new ATOM 592 N CYS A 161 1.576 -2.073 2.319 1.00 0.00 N ATOM 593 CA CYS A 161 2.916 -1.730 2.771 1.00 0.00 C ATOM 594 C CYS A 161 3.929 -1.985 1.649 1.00 0.00 C ATOM 595 O CYS A 161 3.969 -3.069 1.074 1.00 0.00 O ATOM 596 CB CYS A 161 3.186 -2.579 4.016 1.00 0.00 C ATOM 597 SG CYS A 161 4.869 -2.394 4.649 1.00 0.00 S ATOM 0 H CYS A 161 1.108 -2.747 2.925 1.00 0.00 H new ATOM 0 HA CYS A 161 3.008 -0.674 3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.478 -2.303 4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 161 3.006 -3.628 3.779 1.00 0.00 H new ATOM 602 N HIS A 162 4.752 -0.976 1.336 1.00 0.00 N ATOM 603 CA HIS A 162 5.808 -1.064 0.333 1.00 0.00 C ATOM 604 C HIS A 162 6.918 -2.009 0.790 1.00 0.00 C ATOM 605 O HIS A 162 7.967 -2.077 0.148 1.00 0.00 O ATOM 606 CB HIS A 162 6.426 0.324 0.099 1.00 0.00 C ATOM 607 CG HIS A 162 5.564 1.274 -0.693 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.702 0.912 -1.729 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.519 2.627 -0.521 1.00 0.00 C ATOM 610 CE1 HIS A 162 4.165 2.065 -2.164 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.638 3.106 -1.457 1.00 0.00 N ATOM 0 H HIS A 162 4.697 -0.061 1.784 1.00 0.00 H new ATOM 0 HA HIS A 162 5.362 -1.444 -0.586 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.646 0.776 1.066 1.00 0.00 H new ATOM 0 HB3 HIS A 162 7.377 0.200 -0.419 1.00 0.00 H new ATOM 0 HD2 HIS A 162 6.068 3.206 0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 162 3.451 2.144 -2.971 1.00 0.00 H new ATOM 0 HE2 HIS A 162 4.385 4.085 -1.593 1.00 0.00 H new ATOM 619 N PHE A 163 6.705 -2.734 1.889 1.00 0.00 N ATOM 620 CA PHE A 163 7.764 -3.487 2.529 1.00 0.00 C ATOM 621 C PHE A 163 7.364 -4.924 2.833 1.00 0.00 C ATOM 622 O PHE A 163 8.197 -5.826 2.729 1.00 0.00 O ATOM 623 CB PHE A 163 8.069 -2.745 3.819 1.00 0.00 C ATOM 624 CG PHE A 163 9.456 -2.948 4.360 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.768 -4.106 5.076 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.429 -1.959 4.142 1.00 0.00 C ATOM 627 CE1 PHE A 163 11.071 -4.280 5.568 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.720 -2.127 4.645 1.00 0.00 C ATOM 629 CZ PHE A 163 12.042 -3.290 5.351 1.00 0.00 C ATOM 0 H PHE A 163 5.799 -2.810 2.351 1.00 0.00 H new ATOM 0 HA PHE A 163 8.628 -3.557 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.914 -1.679 3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.351 -3.057 4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 163 9.014 -4.860 5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 163 10.178 -1.068 3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.327 -5.176 6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.467 -1.362 4.490 1.00 0.00 H new ATOM 0 HZ PHE A 163 13.043 -3.427 5.731 1.00 0.00 H new ATOM 639 N CYS A 164 6.104 -5.148 3.203 1.00 0.00 N ATOM 640 CA CYS A 164 5.603 -6.489 3.467 1.00 0.00 C ATOM 641 C CYS A 164 4.238 -6.723 2.812 1.00 0.00 C ATOM 642 O CYS A 164 3.594 -7.747 3.045 1.00 0.00 O ATOM 643 CB CYS A 164 5.511 -6.645 4.977 1.00 0.00 C ATOM 644 SG CYS A 164 4.185 -5.576 5.547 1.00 0.00 S ATOM 0 H CYS A 164 5.410 -4.410 3.326 1.00 0.00 H new ATOM 0 HA CYS A 164 6.279 -7.230 3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.310 -7.682 5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.455 -6.372 5.449 1.00 0.00 H new ATOM 649 N GLN A 165 3.802 -5.759 1.995 1.00 0.00 N ATOM 650 CA GLN A 165 2.509 -5.748 1.319 1.00 0.00 C ATOM 651 C GLN A 165 1.327 -5.954 2.261 1.00 0.00 C ATOM 652 O GLN A 165 0.273 -6.421 1.830 1.00 0.00 O ATOM 653 CB GLN A 165 2.492 -6.711 0.127 1.00 0.00 C ATOM 654 CG GLN A 165 3.319 -6.175 -1.039 1.00 0.00 C ATOM 655 CD GLN A 165 4.818 -6.248 -0.774 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.424 -7.302 -0.939 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.430 -5.141 -0.363 1.00 0.00 N ATOM 0 H GLN A 165 4.364 -4.935 1.781 1.00 0.00 H new ATOM 0 HA GLN A 165 2.378 -4.741 0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.883 -7.680 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.464 -6.871 -0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 165 3.084 -6.744 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 165 3.038 -5.140 -1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.897 -4.281 -0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.432 -5.152 -0.175 1.00 0.00 H new ATOM 666 N SER A 166 1.472 -5.610 3.544 1.00 0.00 N ATOM 667 CA SER A 166 0.379 -5.688 4.497 1.00 0.00 C ATOM 668 C SER A 166 -0.432 -4.392 4.487 1.00 0.00 C ATOM 669 O SER A 166 0.099 -3.330 4.813 1.00 0.00 O ATOM 670 CB SER A 166 0.957 -5.911 5.895 1.00 0.00 C ATOM 671 OG SER A 166 1.710 -7.105 5.921 1.00 0.00 O ATOM 0 H SER A 166 2.348 -5.272 3.942 1.00 0.00 H new ATOM 0 HA SER A 166 -0.277 -6.514 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.588 -5.067 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.151 -5.964 6.627 1.00 0.00 H new ATOM 0 HG SER A 166 2.556 -6.969 5.445 1.00 0.00 H new ATOM 677 N ILE A 167 -1.711 -4.470 4.118 1.00 0.00 N ATOM 678 CA ILE A 167 -2.652 -3.357 4.206 1.00 0.00 C ATOM 679 C ILE A 167 -2.937 -2.978 5.654 1.00 0.00 C ATOM 680 O ILE A 167 -3.399 -1.872 5.919 1.00 0.00 O ATOM 681 CB ILE A 167 -3.970 -3.740 3.536 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.572 -4.981 4.215 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.712 -4.000 2.062 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.606 -5.664 3.321 1.00 0.00 C ATOM 0 H ILE A 167 -2.127 -5.323 3.744 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.199 -2.503 3.702 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.688 -2.926 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.777 -5.686 4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.039 -4.691 5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.646 -4.275 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.310 -3.099 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -2.994 -4.813 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.010 -6.537 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.414 -4.966 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.133 -5.977 2.390 1.00 0.00 H new ATOM 696 N SER A 168 -2.662 -3.895 6.582 1.00 0.00 N ATOM 697 CA SER A 168 -2.816 -3.675 8.012 1.00 0.00 C ATOM 698 C SER A 168 -2.152 -2.369 8.436 1.00 0.00 C ATOM 699 O SER A 168 -2.733 -1.586 9.186 1.00 0.00 O ATOM 700 CB SER A 168 -2.297 -4.889 8.778 1.00 0.00 C ATOM 701 OG SER A 168 -0.913 -5.055 8.583 1.00 0.00 O ATOM 0 H SER A 168 -2.320 -4.828 6.352 1.00 0.00 H new ATOM 0 HA SER A 168 -3.873 -3.567 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.506 -4.769 9.841 1.00 0.00 H new ATOM 0 HB3 SER A 168 -2.824 -5.784 8.448 1.00 0.00 H new ATOM 0 HG SER A 168 -0.604 -5.838 9.085 1.00 0.00 H new ATOM 707 N HIS A 169 -0.925 -2.146 7.954 1.00 0.00 N ATOM 708 CA HIS A 169 -0.130 -0.970 8.265 1.00 0.00 C ATOM 709 C HIS A 169 0.468 -0.398 6.987 1.00 0.00 C ATOM 710 O HIS A 169 0.001 -0.679 5.884 1.00 0.00 O ATOM 711 CB HIS A 169 0.963 -1.362 9.265 1.00 0.00 C ATOM 712 CG HIS A 169 1.839 -2.494 8.787 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.756 -3.801 9.200 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.858 -2.422 7.876 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.700 -4.500 8.550 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.412 -3.699 7.736 1.00 0.00 N ATOM 0 H HIS A 169 -0.454 -2.796 7.325 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.756 -0.198 8.714 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.587 -0.492 9.469 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.496 -1.648 10.208 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.094 -4.175 9.880 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.179 -1.532 7.355 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.866 -5.561 8.665 1.00 0.00 H new ATOM 724 N MET A 170 1.515 0.421 7.128 1.00 0.00 N ATOM 725 CA MET A 170 2.244 1.009 6.022 1.00 0.00 C ATOM 726 C MET A 170 3.725 0.770 6.268 1.00 0.00 C ATOM 727 O MET A 170 4.115 0.463 7.388 1.00 0.00 O ATOM 728 CB MET A 170 1.985 2.516 6.006 1.00 0.00 C ATOM 729 CG MET A 170 0.534 2.879 5.711 1.00 0.00 C ATOM 730 SD MET A 170 0.192 3.270 3.977 1.00 0.00 S ATOM 731 CE MET A 170 0.459 1.658 3.201 1.00 0.00 C ATOM 0 H MET A 170 1.880 0.694 8.040 1.00 0.00 H new ATOM 0 HA MET A 170 1.931 0.571 5.074 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.267 2.936 6.971 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.627 2.979 5.257 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.103 2.049 6.015 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.256 3.736 6.325 1.00 0.00 H new ATOM 0 HE1 MET A 170 0.373 1.756 2.119 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.454 1.293 3.454 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.289 0.952 3.562 1.00 0.00 H new ATOM 741 N VAL A 171 4.565 0.914 5.244 1.00 0.00 N ATOM 742 CA VAL A 171 6.003 0.808 5.434 1.00 0.00 C ATOM 743 C VAL A 171 6.449 1.828 6.464 1.00 0.00 C ATOM 744 O VAL A 171 7.475 1.658 7.114 1.00 0.00 O ATOM 745 CB VAL A 171 6.729 1.045 4.119 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.662 2.517 3.746 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.193 0.663 4.242 1.00 0.00 C ATOM 0 H VAL A 171 4.274 1.103 4.285 1.00 0.00 H new ATOM 0 HA VAL A 171 6.245 -0.195 5.786 1.00 0.00 H new ATOM 0 HB VAL A 171 6.247 0.434 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.185 2.678 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.620 2.818 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.134 3.112 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.696 0.839 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.663 1.267 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.273 -0.392 4.505 1.00 0.00 H new ATOM 757 N ALA A 172 5.653 2.889 6.607 1.00 0.00 N ATOM 758 CA ALA A 172 5.902 3.933 7.565 1.00 0.00 C ATOM 759 C ALA A 172 5.821 3.400 8.991 1.00 0.00 C ATOM 760 O ALA A 172 6.177 4.093 9.943 1.00 0.00 O ATOM 761 CB ALA A 172 4.871 5.034 7.346 1.00 0.00 C ATOM 0 H ALA A 172 4.812 3.036 6.049 1.00 0.00 H new ATOM 0 HA ALA A 172 6.909 4.327 7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.040 5.838 8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.965 5.425 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.869 4.628 7.486 1.00 0.00 H new ATOM 767 N SER A 173 5.347 2.164 9.123 1.00 0.00 N ATOM 768 CA SER A 173 5.122 1.501 10.390 1.00 0.00 C ATOM 769 C SER A 173 5.439 0.010 10.301 1.00 0.00 C ATOM 770 O SER A 173 5.092 -0.741 11.211 1.00 0.00 O ATOM 771 CB SER A 173 3.651 1.664 10.755 1.00 0.00 C ATOM 772 OG SER A 173 3.457 1.439 12.137 1.00 0.00 O ATOM 0 H SER A 173 5.103 1.583 8.321 1.00 0.00 H new ATOM 0 HA SER A 173 5.774 1.947 11.142 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.314 2.667 10.493 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.047 0.964 10.178 1.00 0.00 H new ATOM 0 HG SER A 173 3.934 0.626 12.406 1.00 0.00 H new ATOM 778 N CYS A 174 6.085 -0.424 9.213 1.00 0.00 N ATOM 779 CA CYS A 174 6.302 -1.856 9.024 1.00 0.00 C ATOM 780 C CYS A 174 6.989 -2.457 10.252 1.00 0.00 C ATOM 781 O CYS A 174 7.995 -1.926 10.718 1.00 0.00 O ATOM 782 CB CYS A 174 7.106 -2.131 7.754 1.00 0.00 C ATOM 783 SG CYS A 174 6.870 -3.859 7.272 1.00 0.00 S ATOM 0 H CYS A 174 6.454 0.175 8.475 1.00 0.00 H new ATOM 0 HA CYS A 174 5.330 -2.335 8.905 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.781 -1.468 6.952 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.163 -1.929 7.926 1.00 0.00 H new ATOM 788 N PRO A 175 6.462 -3.563 10.787 1.00 0.00 N ATOM 789 CA PRO A 175 7.029 -4.242 11.935 1.00 0.00 C ATOM 790 C PRO A 175 8.311 -4.970 11.549 1.00 0.00 C ATOM 791 O PRO A 175 9.091 -5.347 12.421 1.00 0.00 O ATOM 792 CB PRO A 175 5.952 -5.239 12.360 1.00 0.00 C ATOM 793 CG PRO A 175 5.254 -5.574 11.047 1.00 0.00 C ATOM 794 CD PRO A 175 5.270 -4.239 10.322 1.00 0.00 C ATOM 0 HA PRO A 175 7.295 -3.552 12.735 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.384 -6.125 12.825 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.263 -4.804 13.083 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.785 -6.346 10.490 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.239 -5.938 11.207 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.294 -4.379 9.241 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.376 -3.658 10.548 1.00 0.00 H new ATOM 802 N LEU A 176 8.537 -5.172 10.249 1.00 0.00 N ATOM 803 CA LEU A 176 9.713 -5.873 9.767 1.00 0.00 C ATOM 804 C LEU A 176 10.908 -4.937 9.703 1.00 0.00 C ATOM 805 O LEU A 176 11.956 -5.229 10.273 1.00 0.00 O ATOM 806 CB LEU A 176 9.439 -6.395 8.360 1.00 0.00 C ATOM 807 CG LEU A 176 8.180 -7.253 8.280 1.00 0.00 C ATOM 808 CD1 LEU A 176 8.082 -7.797 6.862 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.247 -8.399 9.278 1.00 0.00 C ATOM 0 H LEU A 176 7.910 -4.854 9.510 1.00 0.00 H new ATOM 0 HA LEU A 176 9.933 -6.692 10.451 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.341 -5.551 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.294 -6.981 8.022 1.00 0.00 H new ATOM 0 HG LEU A 176 7.302 -6.655 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.190 -8.417 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 176 8.021 -6.968 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.965 -8.397 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.340 -8.999 9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.113 -9.023 9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.336 -7.998 10.287 1.00 0.00 H new ATOM 821 N LYS A 177 10.750 -3.809 9.007 1.00 0.00 N ATOM 822 CA LYS A 177 11.856 -2.896 8.785 1.00 0.00 C ATOM 823 C LYS A 177 12.477 -2.455 10.105 1.00 0.00 C ATOM 824 O LYS A 177 13.593 -1.948 10.115 1.00 0.00 O ATOM 825 CB LYS A 177 11.381 -1.688 7.984 1.00 0.00 C ATOM 826 CG LYS A 177 10.577 -0.742 8.865 1.00 0.00 C ATOM 827 CD LYS A 177 10.166 0.501 8.082 1.00 0.00 C ATOM 828 CE LYS A 177 11.369 1.370 7.728 1.00 0.00 C ATOM 829 NZ LYS A 177 11.934 2.025 8.921 1.00 0.00 N ATOM 0 H LYS A 177 9.867 -3.513 8.591 1.00 0.00 H new ATOM 0 HA LYS A 177 12.625 -3.418 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.239 -1.162 7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.770 -2.019 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.690 -1.252 9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.170 -0.452 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.652 0.202 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.457 1.084 8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.134 0.757 7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.071 2.127 7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.636 2.734 8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 11.173 2.491 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 12.393 1.312 9.524 1.00 0.00 H new ATOM 843 N ALA A 178 11.753 -2.654 11.208 1.00 0.00 N ATOM 844 CA ALA A 178 12.238 -2.317 12.527 1.00 0.00 C ATOM 845 C ALA A 178 13.561 -3.019 12.827 1.00 0.00 C ATOM 846 O ALA A 178 14.285 -2.633 13.743 1.00 0.00 O ATOM 847 CB ALA A 178 11.187 -2.722 13.552 1.00 0.00 C ATOM 0 H ALA A 178 10.815 -3.054 11.201 1.00 0.00 H new ATOM 0 HA ALA A 178 12.417 -1.243 12.575 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.540 -2.473 14.553 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.258 -2.188 13.352 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.009 -3.795 13.486 1.00 0.00 H new ATOM 853 N GLN A 179 13.877 -4.054 12.043 1.00 0.00 N ATOM 854 CA GLN A 179 15.145 -4.752 12.149 1.00 0.00 C ATOM 855 C GLN A 179 15.690 -5.163 10.778 1.00 0.00 C ATOM 856 O GLN A 179 16.817 -5.646 10.703 1.00 0.00 O ATOM 857 CB GLN A 179 14.984 -5.955 13.083 1.00 0.00 C ATOM 858 CG GLN A 179 13.868 -6.906 12.637 1.00 0.00 C ATOM 859 CD GLN A 179 12.502 -6.517 13.179 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.384 -5.894 14.233 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.446 -6.886 12.460 1.00 0.00 N ATOM 0 H GLN A 179 13.258 -4.424 11.322 1.00 0.00 H new ATOM 0 HA GLN A 179 15.884 -4.073 12.574 1.00 0.00 H new ATOM 0 HB2 GLN A 179 15.925 -6.503 13.129 1.00 0.00 H new ATOM 0 HB3 GLN A 179 14.772 -5.601 14.092 1.00 0.00 H new ATOM 0 HG2 GLN A 179 13.828 -6.925 11.548 1.00 0.00 H new ATOM 0 HG3 GLN A 179 14.108 -7.917 12.965 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.577 -7.402 11.590 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.505 -6.653 12.779 1.00 0.00 H new ATOM 870 N GLN A 180 14.925 -4.982 9.695 1.00 0.00 N ATOM 871 CA GLN A 180 15.466 -5.213 8.354 1.00 0.00 C ATOM 872 C GLN A 180 16.036 -3.919 7.772 1.00 0.00 C ATOM 873 O GLN A 180 16.812 -3.954 6.820 1.00 0.00 O ATOM 874 CB GLN A 180 14.398 -5.737 7.387 1.00 0.00 C ATOM 875 CG GLN A 180 13.399 -6.703 8.006 1.00 0.00 C ATOM 876 CD GLN A 180 12.874 -7.718 6.997 1.00 0.00 C ATOM 877 OE1 GLN A 180 12.994 -7.533 5.792 1.00 0.00 O ATOM 878 NE2 GLN A 180 12.277 -8.801 7.485 1.00 0.00 N ATOM 0 H GLN A 180 13.950 -4.683 9.720 1.00 0.00 H new ATOM 0 HA GLN A 180 16.250 -5.962 8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.854 -4.888 6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.894 -6.234 6.553 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.872 -7.229 8.835 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.563 -6.141 8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 180 12.193 -8.926 8.494 1.00 0.00 H new ATOM 0 HE22 GLN A 180 11.903 -9.507 6.851 1.00 0.00 H new ATOM 887 N GLY A 181 15.655 -2.773 8.339 1.00 0.00 N ATOM 888 CA GLY A 181 16.098 -1.479 7.849 1.00 0.00 C ATOM 889 C GLY A 181 15.518 -0.335 8.681 1.00 0.00 C ATOM 890 O GLY A 181 14.778 0.479 8.139 1.00 0.00 O ATOM 0 H GLY A 181 15.034 -2.722 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 181 17.187 -1.433 7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.798 -1.361 6.808 1.00 0.00 H new ATOM 894 N PRO A 182 15.841 -0.263 9.984 1.00 0.00 N ATOM 895 CA PRO A 182 15.357 0.789 10.864 1.00 0.00 C ATOM 896 C PRO A 182 15.911 2.163 10.488 1.00 0.00 C ATOM 897 O PRO A 182 15.642 3.147 11.173 1.00 0.00 O ATOM 898 CB PRO A 182 15.774 0.368 12.272 1.00 0.00 C ATOM 899 CG PRO A 182 17.000 -0.514 12.038 1.00 0.00 C ATOM 900 CD PRO A 182 16.693 -1.192 10.705 1.00 0.00 C ATOM 0 HA PRO A 182 14.276 0.901 10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 182 16.014 1.231 12.893 1.00 0.00 H new ATOM 0 HB3 PRO A 182 14.978 -0.178 12.779 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.916 0.075 11.989 1.00 0.00 H new ATOM 0 HG3 PRO A 182 17.131 -1.242 12.839 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.608 -1.397 10.149 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.191 -2.148 10.857 1.00 0.00 H new ATOM 908 N SER A 183 16.687 2.239 9.404 1.00 0.00 N ATOM 909 CA SER A 183 17.211 3.474 8.859 1.00 0.00 C ATOM 910 C SER A 183 17.521 3.260 7.378 1.00 0.00 C ATOM 911 O SER A 183 17.414 2.140 6.878 1.00 0.00 O ATOM 912 CB SER A 183 18.482 3.861 9.609 1.00 0.00 C ATOM 913 OG SER A 183 18.941 5.120 9.176 1.00 0.00 O ATOM 0 H SER A 183 16.971 1.415 8.873 1.00 0.00 H new ATOM 0 HA SER A 183 16.480 4.275 8.969 1.00 0.00 H new ATOM 0 HB2 SER A 183 18.286 3.887 10.681 1.00 0.00 H new ATOM 0 HB3 SER A 183 19.253 3.109 9.444 1.00 0.00 H new ATOM 0 HG SER A 183 19.756 5.357 9.666 1.00 0.00 H new ATOM 919 N ALA A 184 17.899 4.325 6.668 1.00 0.00 N ATOM 920 CA ALA A 184 18.227 4.256 5.254 1.00 0.00 C ATOM 921 C ALA A 184 19.461 5.105 4.938 1.00 0.00 C ATOM 922 O ALA A 184 19.783 5.311 3.769 1.00 0.00 O ATOM 923 CB ALA A 184 17.016 4.712 4.443 1.00 0.00 C ATOM 0 H ALA A 184 17.985 5.261 7.065 1.00 0.00 H new ATOM 0 HA ALA A 184 18.470 3.228 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 184 17.251 4.664 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 184 16.169 4.061 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 184 16.763 5.737 4.713 1.00 0.00 H new ATOM 929 N GLN A 185 20.154 5.596 5.976 1.00 0.00 N ATOM 930 CA GLN A 185 21.326 6.451 5.850 1.00 0.00 C ATOM 931 C GLN A 185 21.091 7.637 4.907 1.00 0.00 C ATOM 932 O GLN A 185 22.031 8.184 4.326 1.00 0.00 O ATOM 933 CB GLN A 185 22.528 5.593 5.452 1.00 0.00 C ATOM 934 CG GLN A 185 23.845 6.268 5.848 1.00 0.00 C ATOM 935 CD GLN A 185 25.055 5.436 5.450 1.00 0.00 C ATOM 936 OE1 GLN A 185 25.017 4.211 5.479 1.00 0.00 O ATOM 937 NE2 GLN A 185 26.143 6.099 5.073 1.00 0.00 N ATOM 0 H GLN A 185 19.903 5.401 6.945 1.00 0.00 H new ATOM 0 HA GLN A 185 21.537 6.910 6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 185 22.457 4.617 5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 185 22.514 5.420 4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 185 23.907 7.248 5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 185 23.858 6.434 6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 185 26.140 7.119 5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 185 26.981 5.588 4.796 1.00 0.00 H new ATOM 946 N GLY A 186 19.830 8.037 4.747 1.00 0.00 N ATOM 947 CA GLY A 186 19.449 9.143 3.880 1.00 0.00 C ATOM 948 C GLY A 186 17.954 9.405 3.977 1.00 0.00 C ATOM 949 O GLY A 186 17.413 9.994 3.018 1.00 0.00 O ATOM 950 OXT GLY A 186 17.362 9.018 5.008 1.00 0.00 O ATOM 0 H GLY A 186 19.041 7.597 5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 186 20.000 10.040 4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 186 19.718 8.914 2.849 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 11.174 7.933 5.971 1.00 0.00 O ATOM 956 C5' A B 1 9.944 7.249 6.116 1.00 0.00 C ATOM 957 C4' A B 1 8.995 7.645 4.994 1.00 0.00 C ATOM 958 O4' A B 1 9.423 7.032 3.779 1.00 0.00 O ATOM 959 C3' A B 1 7.597 7.112 5.309 1.00 0.00 C ATOM 960 O3' A B 1 6.631 7.949 4.706 1.00 0.00 O ATOM 961 C2' A B 1 7.634 5.784 4.581 1.00 0.00 C ATOM 962 O2' A B 1 6.339 5.328 4.313 1.00 0.00 O ATOM 963 C1' A B 1 8.355 6.225 3.323 1.00 0.00 C ATOM 964 N9 A B 1 8.725 5.080 2.464 1.00 0.00 N ATOM 965 C8 A B 1 8.231 4.816 1.212 1.00 0.00 C ATOM 966 N7 A B 1 8.668 3.705 0.687 1.00 0.00 N ATOM 967 C5 A B 1 9.499 3.180 1.673 1.00 0.00 C ATOM 968 C6 A B 1 10.246 1.991 1.764 1.00 0.00 C ATOM 969 N6 A B 1 10.279 1.067 0.798 1.00 0.00 N ATOM 970 N1 A B 1 10.957 1.760 2.873 1.00 0.00 N ATOM 971 C2 A B 1 10.926 2.657 3.848 1.00 0.00 C ATOM 972 N3 A B 1 10.260 3.804 3.901 1.00 0.00 N ATOM 973 C4 A B 1 9.549 4.014 2.762 1.00 0.00 C ATOM 0 H5' A B 1 9.498 7.486 7.082 1.00 0.00 H new ATOM 0 H5'' A B 1 10.113 6.172 6.098 1.00 0.00 H new ATOM 0 H4' A B 1 8.985 8.731 4.898 1.00 0.00 H new ATOM 0 H3' A B 1 7.354 7.051 6.370 1.00 0.00 H new ATOM 0 H2' A B 1 8.101 4.956 5.114 1.00 0.00 H new ATOM 0 HO2' A B 1 5.782 6.079 4.020 1.00 0.00 H new ATOM 0 HO5' A B 1 11.779 7.675 6.697 1.00 0.00 H new ATOM 0 H1' A B 1 7.729 6.809 2.648 1.00 0.00 H new ATOM 0 H8 A B 1 7.539 5.472 0.704 1.00 0.00 H new ATOM 0 H61 A B 1 10.839 0.223 0.919 1.00 0.00 H new ATOM 0 H62 A B 1 9.744 1.206 -0.059 1.00 0.00 H new ATOM 0 H2 A B 1 11.523 2.423 4.717 1.00 0.00 H new ATOM 986 P G B 2 5.611 8.823 5.573 1.00 0.00 P ATOM 987 OP1 G B 2 6.003 10.246 5.460 1.00 0.00 O ATOM 988 OP2 G B 2 5.480 8.198 6.911 1.00 0.00 O ATOM 989 O5' G B 2 4.213 8.615 4.805 1.00 0.00 O ATOM 990 C5' G B 2 3.794 9.512 3.798 1.00 0.00 C ATOM 991 C4' G B 2 2.555 8.988 3.069 1.00 0.00 C ATOM 992 O4' G B 2 2.929 8.028 2.101 1.00 0.00 O ATOM 993 C3' G B 2 1.524 8.336 4.000 1.00 0.00 C ATOM 994 O3' G B 2 0.522 9.188 4.540 1.00 0.00 O ATOM 995 C2' G B 2 0.917 7.225 3.139 1.00 0.00 C ATOM 996 O2' G B 2 -0.237 7.622 2.436 1.00 0.00 O ATOM 997 C1' G B 2 2.025 6.940 2.127 1.00 0.00 C ATOM 998 N9 G B 2 2.734 5.715 2.514 1.00 0.00 N ATOM 999 C8 G B 2 3.582 5.475 3.571 1.00 0.00 C ATOM 1000 N7 G B 2 3.924 4.230 3.663 1.00 0.00 N ATOM 1001 C5 G B 2 3.360 3.618 2.559 1.00 0.00 C ATOM 1002 C6 G B 2 3.460 2.280 2.098 1.00 0.00 C ATOM 1003 O6 G B 2 4.052 1.340 2.609 1.00 0.00 O ATOM 1004 N1 G B 2 2.781 2.077 0.914 1.00 0.00 N ATOM 1005 C2 G B 2 2.052 3.044 0.263 1.00 0.00 C ATOM 1006 N2 G B 2 1.434 2.688 -0.860 1.00 0.00 N ATOM 1007 N3 G B 2 1.937 4.306 0.692 1.00 0.00 N ATOM 1008 C4 G B 2 2.630 4.525 1.836 1.00 0.00 C ATOM 0 H5' G B 2 4.603 9.663 3.083 1.00 0.00 H new ATOM 0 H5'' G B 2 3.574 10.483 4.241 1.00 0.00 H new ATOM 0 H4' G B 2 2.093 9.863 2.611 1.00 0.00 H new ATOM 0 H3' G B 2 2.018 7.992 4.909 1.00 0.00 H new ATOM 0 H2' G B 2 0.606 6.381 3.755 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.071 8.480 1.992 1.00 0.00 H new ATOM 0 H1' G B 2 1.592 6.808 1.136 1.00 0.00 H new ATOM 0 H8 G B 2 3.925 6.242 4.250 1.00 0.00 H new ATOM 0 H1 G B 2 2.823 1.148 0.494 1.00 0.00 H new ATOM 0 H21 G B 2 0.882 3.372 -1.377 1.00 0.00 H new ATOM 0 H22 G B 2 1.513 1.731 -1.204 1.00 0.00 H new ATOM 1020 P G B 3 -0.004 10.523 3.803 1.00 0.00 P ATOM 1021 OP1 G B 3 1.055 11.547 3.882 1.00 0.00 O ATOM 1022 OP2 G B 3 -1.351 10.821 4.333 1.00 0.00 O ATOM 1023 O5' G B 3 -0.166 10.097 2.268 1.00 0.00 O ATOM 1024 C5' G B 3 -0.970 10.847 1.389 1.00 0.00 C ATOM 1025 C4' G B 3 -0.810 10.276 -0.016 1.00 0.00 C ATOM 1026 O4' G B 3 -1.464 9.014 -0.111 1.00 0.00 O ATOM 1027 C3' G B 3 -1.449 11.218 -1.028 1.00 0.00 C ATOM 1028 O3' G B 3 -0.583 11.363 -2.134 1.00 0.00 O ATOM 1029 C2' G B 3 -2.717 10.479 -1.421 1.00 0.00 C ATOM 1030 O2' G B 3 -3.137 10.791 -2.731 1.00 0.00 O ATOM 1031 C1' G B 3 -2.269 9.033 -1.270 1.00 0.00 C ATOM 1032 N9 G B 3 -3.418 8.115 -1.176 1.00 0.00 N ATOM 1033 C8 G B 3 -3.747 7.095 -2.029 1.00 0.00 C ATOM 1034 N7 G B 3 -4.869 6.496 -1.736 1.00 0.00 N ATOM 1035 C5 G B 3 -5.318 7.170 -0.599 1.00 0.00 C ATOM 1036 C6 G B 3 -6.500 6.975 0.167 1.00 0.00 C ATOM 1037 O6 G B 3 -7.412 6.169 -0.015 1.00 0.00 O ATOM 1038 N1 G B 3 -6.563 7.844 1.247 1.00 0.00 N ATOM 1039 C2 G B 3 -5.608 8.780 1.551 1.00 0.00 C ATOM 1040 N2 G B 3 -5.818 9.505 2.643 1.00 0.00 N ATOM 1041 N3 G B 3 -4.503 8.988 0.832 1.00 0.00 N ATOM 1042 C4 G B 3 -4.423 8.150 -0.238 1.00 0.00 C ATOM 0 H5' G B 3 -0.675 11.896 1.408 1.00 0.00 H new ATOM 0 H5'' G B 3 -2.014 10.803 1.699 1.00 0.00 H new ATOM 0 H4' G B 3 0.254 10.160 -0.222 1.00 0.00 H new ATOM 0 H3' G B 3 -1.647 12.221 -0.650 1.00 0.00 H new ATOM 0 H2' G B 3 -3.591 10.734 -0.821 1.00 0.00 H new ATOM 0 HO2' G B 3 -3.954 10.292 -2.940 1.00 0.00 H new ATOM 0 H1' G B 3 -1.711 8.685 -2.140 1.00 0.00 H new ATOM 0 H8 G B 3 -3.132 6.811 -2.870 1.00 0.00 H new ATOM 0 H1 G B 3 -7.377 7.782 1.858 1.00 0.00 H new ATOM 0 H21 G B 3 -5.142 10.217 2.920 1.00 0.00 H new ATOM 0 H22 G B 3 -6.655 9.350 3.205 1.00 0.00 H new ATOM 1054 P A B 4 -0.435 12.795 -2.843 1.00 0.00 P ATOM 1055 OP1 A B 4 0.843 13.372 -2.368 1.00 0.00 O ATOM 1056 OP2 A B 4 -1.690 13.547 -2.636 1.00 0.00 O ATOM 1057 O5' A B 4 -0.307 12.464 -4.411 1.00 0.00 O ATOM 1058 C5' A B 4 -1.418 12.000 -5.143 1.00 0.00 C ATOM 1059 C4' A B 4 -1.086 11.926 -6.638 1.00 0.00 C ATOM 1060 O4' A B 4 -1.929 10.976 -7.268 1.00 0.00 O ATOM 1061 C3' A B 4 -1.369 13.247 -7.340 1.00 0.00 C ATOM 1062 O3' A B 4 -0.664 13.254 -8.562 1.00 0.00 O ATOM 1063 C2' A B 4 -2.880 13.139 -7.548 1.00 0.00 C ATOM 1064 O2' A B 4 -3.327 13.863 -8.676 1.00 0.00 O ATOM 1065 C1' A B 4 -3.088 11.638 -7.737 1.00 0.00 C ATOM 1066 N9 A B 4 -4.297 11.164 -7.040 1.00 0.00 N ATOM 1067 C8 A B 4 -4.689 11.374 -5.743 1.00 0.00 C ATOM 1068 N7 A B 4 -5.821 10.805 -5.428 1.00 0.00 N ATOM 1069 C5 A B 4 -6.221 10.193 -6.616 1.00 0.00 C ATOM 1070 C6 A B 4 -7.348 9.438 -6.987 1.00 0.00 C ATOM 1071 N6 A B 4 -8.344 9.130 -6.145 1.00 0.00 N ATOM 1072 N1 A B 4 -7.447 9.001 -8.247 1.00 0.00 N ATOM 1073 C2 A B 4 -6.475 9.301 -9.099 1.00 0.00 C ATOM 1074 N3 A B 4 -5.363 9.996 -8.891 1.00 0.00 N ATOM 1075 C4 A B 4 -5.297 10.415 -7.603 1.00 0.00 C ATOM 0 H5' A B 4 -2.267 12.665 -4.986 1.00 0.00 H new ATOM 0 H5'' A B 4 -1.713 11.015 -4.781 1.00 0.00 H new ATOM 0 H4' A B 4 -0.030 11.666 -6.712 1.00 0.00 H new ATOM 0 H3' A B 4 -1.075 14.155 -6.814 1.00 0.00 H new ATOM 0 H2' A B 4 -3.446 13.561 -6.718 1.00 0.00 H new ATOM 0 HO2' A B 4 -4.297 13.761 -8.767 1.00 0.00 H new ATOM 0 H1' A B 4 -3.242 11.418 -8.793 1.00 0.00 H new ATOM 0 H8 A B 4 -4.111 11.959 -5.043 1.00 0.00 H new ATOM 0 H61 A B 4 -9.137 8.578 -6.473 1.00 0.00 H new ATOM 0 H62 A B 4 -8.309 9.447 -5.176 1.00 0.00 H new ATOM 0 H2 A B 4 -6.607 8.927 -10.104 1.00 0.00 H new ATOM 1087 P G B 5 -0.330 14.620 -9.345 1.00 0.00 P ATOM 1088 OP1 G B 5 -0.319 15.741 -8.383 1.00 0.00 O ATOM 1089 OP2 G B 5 -1.190 14.700 -10.551 1.00 0.00 O ATOM 1090 O5' G B 5 1.174 14.350 -9.821 1.00 0.00 O ATOM 1091 C5' G B 5 2.260 14.624 -8.965 1.00 0.00 C ATOM 1092 C4' G B 5 3.411 13.652 -9.217 1.00 0.00 C ATOM 1093 O4' G B 5 3.020 12.392 -8.707 1.00 0.00 O ATOM 1094 C3' G B 5 3.749 13.482 -10.695 1.00 0.00 C ATOM 1095 O3' G B 5 5.135 13.245 -10.855 1.00 0.00 O ATOM 1096 C2' G B 5 2.977 12.217 -11.053 1.00 0.00 C ATOM 1097 O2' G B 5 3.564 11.501 -12.123 1.00 0.00 O ATOM 1098 C1' G B 5 3.023 11.434 -9.747 1.00 0.00 C ATOM 1099 N9 G B 5 1.854 10.537 -9.633 1.00 0.00 N ATOM 1100 C8 G B 5 0.536 10.800 -9.892 1.00 0.00 C ATOM 1101 N7 G B 5 -0.260 9.784 -9.699 1.00 0.00 N ATOM 1102 C5 G B 5 0.598 8.770 -9.281 1.00 0.00 C ATOM 1103 C6 G B 5 0.319 7.424 -8.908 1.00 0.00 C ATOM 1104 O6 G B 5 -0.766 6.842 -8.873 1.00 0.00 O ATOM 1105 N1 G B 5 1.464 6.737 -8.544 1.00 0.00 N ATOM 1106 C2 G B 5 2.733 7.253 -8.609 1.00 0.00 C ATOM 1107 N2 G B 5 3.725 6.425 -8.314 1.00 0.00 N ATOM 1108 N3 G B 5 3.015 8.512 -8.955 1.00 0.00 N ATOM 1109 C4 G B 5 1.898 9.214 -9.272 1.00 0.00 C ATOM 0 H5' G B 5 1.937 14.550 -7.926 1.00 0.00 H new ATOM 0 H5'' G B 5 2.602 15.647 -9.121 1.00 0.00 H new ATOM 0 H4' G B 5 4.299 14.054 -8.730 1.00 0.00 H new ATOM 0 H3' G B 5 3.502 14.351 -11.304 1.00 0.00 H new ATOM 0 H2' G B 5 1.967 12.419 -11.410 1.00 0.00 H new ATOM 0 HO2' G B 5 4.483 11.812 -12.260 1.00 0.00 H new ATOM 0 H1' G B 5 3.911 10.804 -9.699 1.00 0.00 H new ATOM 0 H8 G B 5 0.185 11.765 -10.227 1.00 0.00 H new ATOM 0 H1 G B 5 1.357 5.781 -8.204 1.00 0.00 H new ATOM 0 H21 G B 5 4.690 6.754 -8.346 1.00 0.00 H new ATOM 0 H22 G B 5 3.523 5.459 -8.055 1.00 0.00 H new ATOM 1121 P A B 6 6.163 14.448 -11.139 1.00 0.00 P ATOM 1122 OP1 A B 6 5.619 15.288 -12.225 1.00 0.00 O ATOM 1123 OP2 A B 6 7.511 13.855 -11.287 1.00 0.00 O ATOM 1124 O5' A B 6 6.152 15.321 -9.797 1.00 0.00 O ATOM 1125 C5' A B 6 6.803 14.859 -8.637 1.00 0.00 C ATOM 1126 C4' A B 6 6.737 15.920 -7.540 1.00 0.00 C ATOM 1127 O4' A B 6 5.382 16.201 -7.232 1.00 0.00 O ATOM 1128 C3' A B 6 7.387 15.332 -6.278 1.00 0.00 C ATOM 1129 O3' A B 6 8.047 16.324 -5.519 1.00 0.00 O ATOM 1130 C2' A B 6 6.161 14.838 -5.526 1.00 0.00 C ATOM 1131 O2' A B 6 6.379 14.697 -4.138 1.00 0.00 O ATOM 1132 C1' A B 6 5.180 15.951 -5.857 1.00 0.00 C ATOM 1133 N9 A B 6 3.779 15.596 -5.548 1.00 0.00 N ATOM 1134 C8 A B 6 3.284 14.433 -5.023 1.00 0.00 C ATOM 1135 N7 A B 6 1.994 14.444 -4.832 1.00 0.00 N ATOM 1136 C5 A B 6 1.604 15.710 -5.258 1.00 0.00 C ATOM 1137 C6 A B 6 0.367 16.383 -5.285 1.00 0.00 C ATOM 1138 N6 A B 6 -0.776 15.845 -4.853 1.00 0.00 N ATOM 1139 N1 A B 6 0.330 17.636 -5.756 1.00 0.00 N ATOM 1140 C2 A B 6 1.462 18.195 -6.169 1.00 0.00 C ATOM 1141 N3 A B 6 2.685 17.683 -6.195 1.00 0.00 N ATOM 1142 C4 A B 6 2.684 16.416 -5.716 1.00 0.00 C ATOM 0 H5' A B 6 7.843 14.623 -8.864 1.00 0.00 H new ATOM 0 H5'' A B 6 6.335 13.937 -8.291 1.00 0.00 H new ATOM 0 H4' A B 6 7.242 16.827 -7.871 1.00 0.00 H new ATOM 0 H3' A B 6 8.144 14.577 -6.487 1.00 0.00 H new ATOM 0 H2' A B 6 5.832 13.838 -5.809 1.00 0.00 H new ATOM 0 HO2' A B 6 6.357 15.579 -3.712 1.00 0.00 H new ATOM 0 H1' A B 6 5.358 16.837 -5.248 1.00 0.00 H new ATOM 0 H8 A B 6 3.906 13.582 -4.788 1.00 0.00 H new ATOM 0 H61 A B 6 -1.642 16.382 -4.898 1.00 0.00 H new ATOM 0 H62 A B 6 -0.783 14.896 -4.478 1.00 0.00 H new ATOM 0 H2 A B 6 1.374 19.207 -6.535 1.00 0.00 H new ATOM 1154 P U B 7 9.279 17.146 -6.128 1.00 0.00 P ATOM 1155 OP1 U B 7 9.737 16.458 -7.354 1.00 0.00 O ATOM 1156 OP2 U B 7 10.241 17.421 -5.041 1.00 0.00 O ATOM 1157 O5' U B 7 8.585 18.526 -6.559 1.00 0.00 O ATOM 1158 C5' U B 7 8.312 19.519 -5.594 1.00 0.00 C ATOM 1159 C4' U B 7 6.919 20.099 -5.832 1.00 0.00 C ATOM 1160 O4' U B 7 5.935 19.139 -5.476 1.00 0.00 O ATOM 1161 C3' U B 7 6.694 21.297 -4.910 1.00 0.00 C ATOM 1162 O3' U B 7 5.639 22.088 -5.414 1.00 0.00 O ATOM 1163 C2' U B 7 6.277 20.591 -3.636 1.00 0.00 C ATOM 1164 O2' U B 7 5.573 21.445 -2.758 1.00 0.00 O ATOM 1165 C1' U B 7 5.401 19.476 -4.204 1.00 0.00 C ATOM 1166 N1 U B 7 5.319 18.311 -3.299 1.00 0.00 N ATOM 1167 C2 U B 7 4.061 17.937 -2.850 1.00 0.00 C ATOM 1168 O2 U B 7 3.037 18.525 -3.194 1.00 0.00 O ATOM 1169 N3 U B 7 3.998 16.858 -1.985 1.00 0.00 N ATOM 1170 C4 U B 7 5.082 16.129 -1.523 1.00 0.00 C ATOM 1171 O4 U B 7 4.917 15.187 -0.751 1.00 0.00 O ATOM 1172 C5 U B 7 6.353 16.587 -2.034 1.00 0.00 C ATOM 1173 C6 U B 7 6.440 17.626 -2.895 1.00 0.00 C ATOM 0 H5' U B 7 9.060 20.310 -5.650 1.00 0.00 H new ATOM 0 H5'' U B 7 8.373 19.093 -4.593 1.00 0.00 H new ATOM 0 H4' U B 7 6.844 20.382 -6.882 1.00 0.00 H new ATOM 0 H3' U B 7 7.545 21.968 -4.794 1.00 0.00 H new ATOM 0 H2' U B 7 7.105 20.237 -3.022 1.00 0.00 H new ATOM 0 HO2' U B 7 5.322 20.949 -1.951 1.00 0.00 H new ATOM 0 HO3' U B 7 5.062 22.374 -4.675 1.00 0.00 H new ATOM 0 H1' U B 7 4.371 19.817 -4.306 1.00 0.00 H new ATOM 0 H3 U B 7 3.074 16.575 -1.660 1.00 0.00 H new ATOM 0 H5 U B 7 7.257 16.087 -1.720 1.00 0.00 H new ATOM 0 H6 U B 7 7.408 17.923 -3.272 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -3.516 0.935 -11.070 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.983 -3.763 6.280 1.00 0.00 ZN