USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=22 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+ 157:sc= 0.36 (180deg=-0.199) USER MOD Set 1.2: B 4 A O2' : rot 180:sc= 0.356 USER MOD Set 2.1: A 130 GLN : amide:sc= 0 X(o=0.0044,f=0) USER MOD Set 2.2: B 1 A O5' : rot -30:sc= 0.00435 USER MOD Single : A 125 LYS NZ :NH3+ -129:sc= 1.1 (180deg=-0.275) USER MOD Single : A 127 LYS NZ :NH3+ 170:sc= -0.0201 (180deg=-0.179) USER MOD Single : A 128 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot -174:sc= 1.23 USER MOD Single : A 135 LYS NZ :NH3+ 176:sc= 1.55 (180deg=1.5) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.0268 K(o=-0.027,f=-1.1) USER MOD Single : A 148 HIS : no HD1:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.17) USER MOD Single : A 159 LYS NZ :NH3+ 131:sc= 1.24 (180deg=-0.372) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -0.772 X(o=-0.77,f=-0.99) USER MOD Single : A 165 GLN : amide:sc= -1.01 X(o=-1,f=-1) USER MOD Single : A 166 SER OG : rot 119:sc= 1.34 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl 180:sc= -2.27 (180deg=-2.27) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00112) USER MOD Single : A 179 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.6) 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= -0.071 USER MOD Single : A 185 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 1 A O2' : rot 77:sc= -2.02 USER MOD Single : B 2 G O2' : rot 44:sc= 1.28 USER MOD Single : B 3 G O2' : rot -41:sc= 0.575 USER MOD Single : B 5 G O2' : rot -50:sc= 1.2 USER MOD Single : B 6 A O2' : rot 141:sc= 1.28 USER MOD Single : B 7 U O2' : rot 177:sc= 0 USER MOD Single : B 7 U O3' : rot 139:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 14.898 1.069 1.745 1.00 0.00 N ATOM 2 CA PRO A 124 13.834 1.223 0.748 1.00 0.00 C ATOM 3 C PRO A 124 14.169 0.510 -0.557 1.00 0.00 C ATOM 4 O PRO A 124 14.753 -0.576 -0.531 1.00 0.00 O ATOM 5 CB PRO A 124 13.603 2.730 0.604 1.00 0.00 C ATOM 6 CG PRO A 124 13.954 3.275 1.995 1.00 0.00 C ATOM 7 CD PRO A 124 14.504 2.066 2.747 1.00 0.00 C ATOM 0 HA PRO A 124 12.907 0.743 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 124 14.238 3.162 -0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 124 12.572 2.955 0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 124 14.692 4.075 1.934 1.00 0.00 H new ATOM 0 HG3 PRO A 124 13.077 3.688 2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 124 15.358 2.352 3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 124 13.750 1.657 3.420 1.00 0.00 H new ATOM 15 N LYS A 125 13.808 1.109 -1.697 1.00 0.00 N ATOM 16 CA LYS A 125 13.982 0.507 -3.012 1.00 0.00 C ATOM 17 C LYS A 125 14.597 1.520 -3.981 1.00 0.00 C ATOM 18 O LYS A 125 14.512 1.353 -5.198 1.00 0.00 O ATOM 19 CB LYS A 125 12.628 -0.015 -3.506 1.00 0.00 C ATOM 20 CG LYS A 125 12.028 -0.996 -2.493 1.00 0.00 C ATOM 21 CD LYS A 125 10.710 -1.587 -2.986 1.00 0.00 C ATOM 22 CE LYS A 125 10.177 -2.533 -1.909 1.00 0.00 C ATOM 23 NZ LYS A 125 8.891 -3.131 -2.304 1.00 0.00 N ATOM 0 H LYS A 125 13.383 2.036 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 125 14.671 -0.335 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.945 0.820 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.752 -0.509 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.738 -1.801 -2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.864 -0.484 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 125 9.989 -0.794 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 125 10.861 -2.124 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.905 -3.323 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 125 10.054 -1.988 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 8.199 -3.003 -1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 8.543 -2.667 -3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 9.022 -4.147 -2.486 1.00 0.00 H new ATOM 37 N GLY A 126 15.217 2.570 -3.437 1.00 0.00 N ATOM 38 CA GLY A 126 15.816 3.637 -4.217 1.00 0.00 C ATOM 39 C GLY A 126 16.585 4.601 -3.316 1.00 0.00 C ATOM 40 O GLY A 126 16.811 4.304 -2.144 1.00 0.00 O ATOM 0 H GLY A 126 15.314 2.698 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 126 16.489 3.214 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.040 4.178 -4.758 1.00 0.00 H new ATOM 44 N LYS A 127 16.981 5.750 -3.876 1.00 0.00 N ATOM 45 CA LYS A 127 17.735 6.782 -3.178 1.00 0.00 C ATOM 46 C LYS A 127 17.155 8.161 -3.482 1.00 0.00 C ATOM 47 O LYS A 127 16.138 8.277 -4.166 1.00 0.00 O ATOM 48 CB LYS A 127 19.206 6.728 -3.591 1.00 0.00 C ATOM 49 CG LYS A 127 19.867 5.406 -3.193 1.00 0.00 C ATOM 50 CD LYS A 127 21.370 5.452 -3.484 1.00 0.00 C ATOM 51 CE LYS A 127 22.055 6.587 -2.720 1.00 0.00 C ATOM 52 NZ LYS A 127 21.891 6.439 -1.260 1.00 0.00 N ATOM 0 H LYS A 127 16.779 5.987 -4.847 1.00 0.00 H new ATOM 0 HA LYS A 127 17.662 6.602 -2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 127 19.284 6.862 -4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 127 19.743 7.555 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 127 19.701 5.214 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 127 19.409 4.583 -3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 127 21.824 4.500 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 127 21.531 5.584 -4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 127 23.116 6.603 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 127 21.639 7.543 -3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 22.504 7.122 -0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 20.899 6.617 -1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 22.154 5.473 -0.977 1.00 0.00 H new ATOM 66 N SER A 128 17.809 9.204 -2.973 1.00 0.00 N ATOM 67 CA SER A 128 17.358 10.586 -3.089 1.00 0.00 C ATOM 68 C SER A 128 16.028 10.813 -2.376 1.00 0.00 C ATOM 69 O SER A 128 15.399 9.873 -1.890 1.00 0.00 O ATOM 70 CB SER A 128 17.315 11.005 -4.561 1.00 0.00 C ATOM 71 OG SER A 128 17.171 12.406 -4.664 1.00 0.00 O ATOM 0 H SER A 128 18.684 9.108 -2.459 1.00 0.00 H new ATOM 0 HA SER A 128 18.079 11.228 -2.583 1.00 0.00 H new ATOM 0 HB2 SER A 128 18.228 10.688 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 128 16.485 10.509 -5.064 1.00 0.00 H new ATOM 0 HG SER A 128 17.146 12.664 -5.609 1.00 0.00 H new ATOM 77 N MET A 129 15.611 12.076 -2.320 1.00 0.00 N ATOM 78 CA MET A 129 14.437 12.525 -1.595 1.00 0.00 C ATOM 79 C MET A 129 13.237 11.611 -1.816 1.00 0.00 C ATOM 80 O MET A 129 12.777 11.431 -2.942 1.00 0.00 O ATOM 81 CB MET A 129 14.116 13.958 -2.022 1.00 0.00 C ATOM 82 CG MET A 129 15.039 14.970 -1.340 1.00 0.00 C ATOM 83 SD MET A 129 16.795 14.816 -1.759 1.00 0.00 S ATOM 84 CE MET A 129 17.470 15.959 -0.532 1.00 0.00 C ATOM 0 H MET A 129 16.100 12.835 -2.795 1.00 0.00 H new ATOM 0 HA MET A 129 14.654 12.493 -0.527 1.00 0.00 H new ATOM 0 HB2 MET A 129 14.215 14.046 -3.104 1.00 0.00 H new ATOM 0 HB3 MET A 129 13.079 14.188 -1.777 1.00 0.00 H new ATOM 0 HG2 MET A 129 14.706 15.975 -1.601 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.929 14.868 -0.260 1.00 0.00 H new ATOM 0 HE1 MET A 129 18.555 16.001 -0.632 1.00 0.00 H new ATOM 0 HE2 MET A 129 17.052 16.953 -0.692 1.00 0.00 H new ATOM 0 HE3 MET A 129 17.211 15.613 0.469 1.00 0.00 H new ATOM 94 N GLN A 130 12.728 11.030 -0.728 1.00 0.00 N ATOM 95 CA GLN A 130 11.523 10.214 -0.762 1.00 0.00 C ATOM 96 C GLN A 130 10.288 11.106 -0.748 1.00 0.00 C ATOM 97 O GLN A 130 9.172 10.621 -0.914 1.00 0.00 O ATOM 98 CB GLN A 130 11.480 9.300 0.462 1.00 0.00 C ATOM 99 CG GLN A 130 12.664 8.335 0.477 1.00 0.00 C ATOM 100 CD GLN A 130 12.593 7.447 1.710 1.00 0.00 C ATOM 101 OE1 GLN A 130 12.993 7.855 2.794 1.00 0.00 O ATOM 102 NE2 GLN A 130 12.082 6.229 1.555 1.00 0.00 N ATOM 0 H GLN A 130 13.143 11.115 0.200 1.00 0.00 H new ATOM 0 HA GLN A 130 11.535 9.615 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 130 11.489 9.904 1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 130 10.548 8.735 0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 130 12.656 7.722 -0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 130 13.600 8.894 0.474 1.00 0.00 H new ATOM 0 HE21 GLN A 130 11.759 5.924 0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 130 12.013 5.599 2.355 1.00 0.00 H new ATOM 111 N LYS A 131 10.497 12.413 -0.552 1.00 0.00 N ATOM 112 CA LYS A 131 9.424 13.390 -0.535 1.00 0.00 C ATOM 113 C LYS A 131 8.786 13.529 -1.916 1.00 0.00 C ATOM 114 O LYS A 131 7.700 14.086 -2.036 1.00 0.00 O ATOM 115 CB LYS A 131 9.954 14.755 -0.071 1.00 0.00 C ATOM 116 CG LYS A 131 10.829 14.680 1.185 1.00 0.00 C ATOM 117 CD LYS A 131 10.232 13.808 2.297 1.00 0.00 C ATOM 118 CE LYS A 131 8.829 14.281 2.673 1.00 0.00 C ATOM 119 NZ LYS A 131 8.199 13.341 3.608 1.00 0.00 N ATOM 0 H LYS A 131 11.422 12.815 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 131 8.664 13.041 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 131 10.531 15.205 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.109 15.416 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.808 14.287 0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.986 15.688 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 131 10.193 12.770 1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 131 10.877 13.840 3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 131 8.883 15.271 3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 131 8.218 14.373 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.246 13.680 3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 8.130 12.403 3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.774 13.273 4.472 1.00 0.00 H new ATOM 133 N ARG A 132 9.465 13.023 -2.952 1.00 0.00 N ATOM 134 CA ARG A 132 9.009 13.072 -4.332 1.00 0.00 C ATOM 135 C ARG A 132 7.673 12.363 -4.510 1.00 0.00 C ATOM 136 O ARG A 132 7.210 11.656 -3.613 1.00 0.00 O ATOM 137 CB ARG A 132 10.066 12.476 -5.244 1.00 0.00 C ATOM 138 CG ARG A 132 11.213 13.481 -5.319 1.00 0.00 C ATOM 139 CD ARG A 132 12.103 13.173 -6.507 1.00 0.00 C ATOM 140 NE ARG A 132 11.368 13.306 -7.769 1.00 0.00 N ATOM 141 CZ ARG A 132 11.854 12.962 -8.968 1.00 0.00 C ATOM 142 NH1 ARG A 132 13.089 12.485 -9.091 1.00 0.00 N ATOM 143 NH2 ARG A 132 11.103 13.099 -10.052 1.00 0.00 N ATOM 0 H ARG A 132 10.367 12.559 -2.844 1.00 0.00 H new ATOM 0 HA ARG A 132 8.854 14.116 -4.603 1.00 0.00 H new ATOM 0 HB2 ARG A 132 10.416 11.520 -4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 132 9.656 12.285 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 132 10.815 14.492 -5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 132 11.797 13.446 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 132 12.959 13.848 -6.509 1.00 0.00 H new ATOM 0 HD3 ARG A 132 12.496 12.160 -6.417 1.00 0.00 H new ATOM 0 HE ARG A 132 10.422 13.686 -7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 132 13.679 12.377 -8.266 1.00 0.00 H new ATOM 0 HH12 ARG A 132 13.447 12.227 -10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 132 10.155 13.467 -9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 132 11.473 12.837 -10.966 1.00 0.00 H new ATOM 157 N ARG A 133 7.050 12.553 -5.674 1.00 0.00 N ATOM 158 CA ARG A 133 5.751 11.957 -5.974 1.00 0.00 C ATOM 159 C ARG A 133 5.745 11.224 -7.309 1.00 0.00 C ATOM 160 O ARG A 133 4.699 10.783 -7.772 1.00 0.00 O ATOM 161 CB ARG A 133 4.665 13.029 -5.953 1.00 0.00 C ATOM 162 CG ARG A 133 4.480 13.595 -4.551 1.00 0.00 C ATOM 163 CD ARG A 133 3.431 14.691 -4.632 1.00 0.00 C ATOM 164 NE ARG A 133 3.092 15.191 -3.296 1.00 0.00 N ATOM 165 CZ ARG A 133 3.249 16.450 -2.885 1.00 0.00 C ATOM 166 NH1 ARG A 133 3.706 17.396 -3.702 1.00 0.00 N ATOM 167 NH2 ARG A 133 2.943 16.762 -1.632 1.00 0.00 N ATOM 0 H ARG A 133 7.431 13.122 -6.430 1.00 0.00 H new ATOM 0 HA ARG A 133 5.546 11.217 -5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 133 4.929 13.832 -6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 133 3.724 12.605 -6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.164 12.813 -3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.421 13.993 -4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.802 15.510 -5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.535 14.307 -5.119 1.00 0.00 H new ATOM 0 HE ARG A 133 2.706 14.523 -2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 133 3.945 17.165 -4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 133 3.817 18.352 -3.364 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.593 16.043 -0.998 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.058 17.721 -1.303 1.00 0.00 H new ATOM 181 N SER A 134 6.925 11.102 -7.909 1.00 0.00 N ATOM 182 CA SER A 134 7.110 10.426 -9.186 1.00 0.00 C ATOM 183 C SER A 134 8.433 9.669 -9.233 1.00 0.00 C ATOM 184 O SER A 134 8.976 9.427 -10.308 1.00 0.00 O ATOM 185 CB SER A 134 7.017 11.437 -10.328 1.00 0.00 C ATOM 186 OG SER A 134 7.992 12.444 -10.174 1.00 0.00 O ATOM 0 H SER A 134 7.789 11.475 -7.516 1.00 0.00 H new ATOM 0 HA SER A 134 6.315 9.690 -9.301 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.156 10.930 -11.283 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.023 11.884 -10.346 1.00 0.00 H new ATOM 0 HG SER A 134 7.857 13.137 -10.853 1.00 0.00 H new ATOM 192 N LYS A 135 8.962 9.292 -8.063 1.00 0.00 N ATOM 193 CA LYS A 135 10.239 8.602 -7.946 1.00 0.00 C ATOM 194 C LYS A 135 10.175 7.682 -6.735 1.00 0.00 C ATOM 195 O LYS A 135 10.212 8.152 -5.597 1.00 0.00 O ATOM 196 CB LYS A 135 11.350 9.647 -7.827 1.00 0.00 C ATOM 197 CG LYS A 135 12.770 9.061 -7.828 1.00 0.00 C ATOM 198 CD LYS A 135 13.187 8.398 -6.512 1.00 0.00 C ATOM 199 CE LYS A 135 13.003 9.345 -5.327 1.00 0.00 C ATOM 200 NZ LYS A 135 13.436 8.718 -4.069 1.00 0.00 N ATOM 0 H LYS A 135 8.507 9.462 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 135 10.452 7.991 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 135 11.260 10.352 -8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.204 10.213 -6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 135 12.845 8.326 -8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 135 13.477 9.858 -8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.596 7.496 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 135 14.230 8.088 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 135 13.574 10.258 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 135 11.955 9.635 -5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 13.363 9.408 -3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 12.829 7.899 -3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 14.423 8.403 -4.160 1.00 0.00 H new ATOM 214 N GLY A 136 10.077 6.375 -6.982 1.00 0.00 N ATOM 215 CA GLY A 136 9.994 5.385 -5.923 1.00 0.00 C ATOM 216 C GLY A 136 8.538 5.044 -5.605 1.00 0.00 C ATOM 217 O GLY A 136 8.249 4.541 -4.523 1.00 0.00 O ATOM 0 H GLY A 136 10.053 5.980 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.526 4.482 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.487 5.763 -5.027 1.00 0.00 H new ATOM 221 N ASP A 137 7.625 5.315 -6.537 1.00 0.00 N ATOM 222 CA ASP A 137 6.196 5.158 -6.326 1.00 0.00 C ATOM 223 C ASP A 137 5.504 4.582 -7.560 1.00 0.00 C ATOM 224 O ASP A 137 6.098 4.495 -8.637 1.00 0.00 O ATOM 225 CB ASP A 137 5.603 6.512 -5.931 1.00 0.00 C ATOM 226 CG ASP A 137 6.201 7.657 -6.747 1.00 0.00 C ATOM 227 OD1 ASP A 137 6.204 7.551 -7.994 1.00 0.00 O ATOM 228 OD2 ASP A 137 6.651 8.628 -6.100 1.00 0.00 O ATOM 0 H ASP A 137 7.865 5.653 -7.469 1.00 0.00 H new ATOM 0 HA ASP A 137 6.030 4.443 -5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.523 6.490 -6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.781 6.691 -4.871 1.00 0.00 H new ATOM 233 N ARG A 138 4.236 4.180 -7.390 1.00 0.00 N ATOM 234 CA ARG A 138 3.443 3.476 -8.395 1.00 0.00 C ATOM 235 C ARG A 138 1.987 3.950 -8.325 1.00 0.00 C ATOM 236 O ARG A 138 1.650 4.788 -7.489 1.00 0.00 O ATOM 237 CB ARG A 138 3.545 1.974 -8.119 1.00 0.00 C ATOM 238 CG ARG A 138 4.898 1.429 -8.597 1.00 0.00 C ATOM 239 CD ARG A 138 5.151 0.020 -8.064 1.00 0.00 C ATOM 240 NE ARG A 138 6.566 -0.345 -8.213 1.00 0.00 N ATOM 241 CZ ARG A 138 7.541 0.082 -7.404 1.00 0.00 C ATOM 242 NH1 ARG A 138 7.287 0.850 -6.349 1.00 0.00 N ATOM 243 NH2 ARG A 138 8.800 -0.263 -7.643 1.00 0.00 N ATOM 0 H ARG A 138 3.724 4.343 -6.523 1.00 0.00 H new ATOM 0 HA ARG A 138 3.816 3.685 -9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.427 1.786 -7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.735 1.449 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.923 1.417 -9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.697 2.093 -8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.865 -0.034 -7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.527 -0.695 -8.601 1.00 0.00 H new ATOM 0 HE ARG A 138 6.821 -0.964 -8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.328 1.128 -6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.051 1.161 -5.749 1.00 0.00 H new ATOM 0 HH21 ARG A 138 9.024 -0.854 -8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.544 0.063 -7.026 1.00 0.00 H new ATOM 257 N CYS A 139 1.128 3.420 -9.199 1.00 0.00 N ATOM 258 CA CYS A 139 -0.297 3.708 -9.255 1.00 0.00 C ATOM 259 C CYS A 139 -0.916 3.640 -7.858 1.00 0.00 C ATOM 260 O CYS A 139 -0.979 2.578 -7.241 1.00 0.00 O ATOM 261 CB CYS A 139 -0.953 2.729 -10.237 1.00 0.00 C ATOM 262 SG CYS A 139 -2.743 2.688 -10.015 1.00 0.00 S ATOM 0 H CYS A 139 1.423 2.753 -9.912 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.467 4.723 -9.614 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.717 3.022 -11.260 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.542 1.730 -10.089 1.00 0.00 H new ATOM 267 N TYR A 140 -1.379 4.792 -7.367 1.00 0.00 N ATOM 268 CA TYR A 140 -2.026 4.928 -6.069 1.00 0.00 C ATOM 269 C TYR A 140 -3.390 4.237 -6.030 1.00 0.00 C ATOM 270 O TYR A 140 -4.132 4.411 -5.067 1.00 0.00 O ATOM 271 CB TYR A 140 -2.186 6.420 -5.746 1.00 0.00 C ATOM 272 CG TYR A 140 -0.970 7.055 -5.106 1.00 0.00 C ATOM 273 CD1 TYR A 140 0.238 7.120 -5.811 1.00 0.00 C ATOM 274 CD2 TYR A 140 -1.060 7.592 -3.814 1.00 0.00 C ATOM 275 CE1 TYR A 140 1.360 7.722 -5.236 1.00 0.00 C ATOM 276 CE2 TYR A 140 0.059 8.201 -3.234 1.00 0.00 C ATOM 277 CZ TYR A 140 1.274 8.274 -3.943 1.00 0.00 C ATOM 278 OH TYR A 140 2.358 8.877 -3.377 1.00 0.00 O ATOM 0 H TYR A 140 -1.311 5.673 -7.876 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.398 4.442 -5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.419 6.956 -6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.039 6.546 -5.080 1.00 0.00 H new ATOM 0 HD1 TYR A 140 0.303 6.702 -6.805 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -1.990 7.536 -3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 140 2.291 7.764 -5.782 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -0.009 8.616 -2.239 1.00 0.00 H new ATOM 0 HH TYR A 140 2.122 9.203 -2.483 1.00 0.00 H new ATOM 288 N ASN A 141 -3.739 3.461 -7.060 1.00 0.00 N ATOM 289 CA ASN A 141 -5.013 2.769 -7.095 1.00 0.00 C ATOM 290 C ASN A 141 -4.836 1.253 -7.139 1.00 0.00 C ATOM 291 O ASN A 141 -5.663 0.544 -6.574 1.00 0.00 O ATOM 292 CB ASN A 141 -5.812 3.292 -8.287 1.00 0.00 C ATOM 293 CG ASN A 141 -7.217 2.719 -8.320 1.00 0.00 C ATOM 294 OD1 ASN A 141 -8.142 3.310 -7.773 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.390 1.571 -8.954 1.00 0.00 N ATOM 0 H ASN A 141 -3.150 3.301 -7.878 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.564 2.972 -6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.864 4.380 -8.240 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.294 3.037 -9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.317 1.148 -9.000 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.596 1.109 -9.397 1.00 0.00 H new ATOM 302 N CYS A 142 -3.786 0.753 -7.802 1.00 0.00 N ATOM 303 CA CYS A 142 -3.556 -0.679 -7.903 1.00 0.00 C ATOM 304 C CYS A 142 -2.165 -1.069 -7.414 1.00 0.00 C ATOM 305 O CYS A 142 -1.989 -2.108 -6.778 1.00 0.00 O ATOM 306 CB CYS A 142 -3.816 -1.101 -9.348 1.00 0.00 C ATOM 307 SG CYS A 142 -2.407 -0.700 -10.394 1.00 0.00 S ATOM 0 H CYS A 142 -3.086 1.326 -8.274 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.244 -1.213 -7.248 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -4.012 -2.172 -9.389 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.708 -0.599 -9.723 1.00 0.00 H new ATOM 312 N GLY A 143 -1.179 -0.223 -7.727 1.00 0.00 N ATOM 313 CA GLY A 143 0.214 -0.447 -7.378 1.00 0.00 C ATOM 314 C GLY A 143 1.061 -0.752 -8.612 1.00 0.00 C ATOM 315 O GLY A 143 2.202 -1.189 -8.481 1.00 0.00 O ATOM 0 H GLY A 143 -1.335 0.646 -8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.609 0.435 -6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 143 0.284 -1.276 -6.674 1.00 0.00 H new ATOM 319 N GLY A 144 0.508 -0.521 -9.809 1.00 0.00 N ATOM 320 CA GLY A 144 1.197 -0.759 -11.069 1.00 0.00 C ATOM 321 C GLY A 144 2.144 0.377 -11.420 1.00 0.00 C ATOM 322 O GLY A 144 2.055 1.465 -10.870 1.00 0.00 O ATOM 0 H GLY A 144 -0.439 -0.160 -9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 144 1.757 -1.692 -11.006 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.464 -0.880 -11.867 1.00 0.00 H new ATOM 326 N LEU A 145 3.070 0.132 -12.351 1.00 0.00 N ATOM 327 CA LEU A 145 4.110 1.092 -12.696 1.00 0.00 C ATOM 328 C LEU A 145 3.945 1.585 -14.126 1.00 0.00 C ATOM 329 O LEU A 145 4.430 2.654 -14.474 1.00 0.00 O ATOM 330 CB LEU A 145 5.509 0.481 -12.559 1.00 0.00 C ATOM 331 CG LEU A 145 5.534 -1.048 -12.578 1.00 0.00 C ATOM 332 CD1 LEU A 145 6.942 -1.519 -12.925 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.189 -1.583 -11.187 1.00 0.00 C ATOM 0 H LEU A 145 3.116 -0.737 -12.883 1.00 0.00 H new ATOM 0 HA LEU A 145 4.007 1.924 -12.000 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.136 0.853 -13.370 1.00 0.00 H new ATOM 0 HB3 LEU A 145 5.954 0.828 -11.627 1.00 0.00 H new ATOM 0 HG LEU A 145 4.813 -1.409 -13.312 1.00 0.00 H new ATOM 0 HD11 LEU A 145 6.968 -2.609 -12.940 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.223 -1.135 -13.906 1.00 0.00 H new ATOM 0 HD13 LEU A 145 7.644 -1.150 -12.177 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.207 -2.673 -11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 145 5.919 -1.218 -10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.194 -1.240 -10.902 1.00 0.00 H new ATOM 345 N ASP A 146 3.259 0.800 -14.951 1.00 0.00 N ATOM 346 CA ASP A 146 3.052 1.127 -16.349 1.00 0.00 C ATOM 347 C ASP A 146 1.967 2.194 -16.518 1.00 0.00 C ATOM 348 O ASP A 146 1.632 2.569 -17.640 1.00 0.00 O ATOM 349 CB ASP A 146 2.707 -0.177 -17.069 1.00 0.00 C ATOM 350 CG ASP A 146 2.491 0.014 -18.566 1.00 0.00 C ATOM 351 OD1 ASP A 146 3.440 0.497 -19.224 1.00 0.00 O ATOM 352 OD2 ASP A 146 1.387 -0.327 -19.046 1.00 0.00 O ATOM 0 H ASP A 146 2.832 -0.081 -14.664 1.00 0.00 H new ATOM 0 HA ASP A 146 3.952 1.561 -16.784 1.00 0.00 H new ATOM 0 HB2 ASP A 146 3.510 -0.897 -16.911 1.00 0.00 H new ATOM 0 HB3 ASP A 146 1.806 -0.603 -16.628 1.00 0.00 H new ATOM 357 N HIS A 147 1.411 2.692 -15.409 1.00 0.00 N ATOM 358 CA HIS A 147 0.373 3.713 -15.413 1.00 0.00 C ATOM 359 C HIS A 147 0.307 4.393 -14.046 1.00 0.00 C ATOM 360 O HIS A 147 1.169 4.177 -13.195 1.00 0.00 O ATOM 361 CB HIS A 147 -0.971 3.052 -15.733 1.00 0.00 C ATOM 362 CG HIS A 147 -1.345 1.988 -14.734 1.00 0.00 C ATOM 363 ND1 HIS A 147 -0.894 0.689 -14.712 1.00 0.00 N ATOM 364 CD2 HIS A 147 -2.193 2.144 -13.675 1.00 0.00 C ATOM 365 CE1 HIS A 147 -1.427 0.090 -13.636 1.00 0.00 C ATOM 366 NE2 HIS A 147 -2.248 0.933 -12.979 1.00 0.00 N ATOM 0 H HIS A 147 1.677 2.389 -14.472 1.00 0.00 H new ATOM 0 HA HIS A 147 0.601 4.467 -16.167 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -1.750 3.814 -15.756 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -0.927 2.611 -16.729 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -0.267 0.258 -15.391 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.728 3.047 -13.420 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -1.226 -0.928 -13.337 1.00 0.00 H new ATOM 374 N HIS A 148 -0.724 5.217 -13.839 1.00 0.00 N ATOM 375 CA HIS A 148 -0.962 5.908 -12.580 1.00 0.00 C ATOM 376 C HIS A 148 -2.425 5.729 -12.175 1.00 0.00 C ATOM 377 O HIS A 148 -3.233 5.259 -12.971 1.00 0.00 O ATOM 378 CB HIS A 148 -0.618 7.393 -12.738 1.00 0.00 C ATOM 379 CG HIS A 148 0.859 7.658 -12.869 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.434 8.565 -13.756 1.00 0.00 N ATOM 381 CD2 HIS A 148 1.847 7.059 -12.138 1.00 0.00 C ATOM 382 CE1 HIS A 148 2.757 8.509 -13.520 1.00 0.00 C ATOM 383 NE2 HIS A 148 3.029 7.604 -12.565 1.00 0.00 N ATOM 0 H HIS A 148 -1.423 5.422 -14.553 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.329 5.488 -11.798 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -1.129 7.784 -13.618 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -1.002 7.940 -11.877 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.721 6.305 -11.375 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.498 9.108 -14.028 1.00 0.00 H new ATOM 0 HE2 HIS A 148 3.957 7.364 -12.217 1.00 0.00 H new ATOM 391 N ALA A 149 -2.769 6.097 -10.942 1.00 0.00 N ATOM 392 CA ALA A 149 -4.100 5.861 -10.396 1.00 0.00 C ATOM 393 C ALA A 149 -5.203 6.485 -11.248 1.00 0.00 C ATOM 394 O ALA A 149 -6.298 5.938 -11.333 1.00 0.00 O ATOM 395 CB ALA A 149 -4.140 6.429 -8.981 1.00 0.00 C ATOM 0 H ALA A 149 -2.133 6.566 -10.297 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.287 4.787 -10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.128 6.264 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.389 5.931 -8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -3.932 7.498 -9.012 1.00 0.00 H new ATOM 401 N LYS A 150 -4.913 7.621 -11.881 1.00 0.00 N ATOM 402 CA LYS A 150 -5.855 8.314 -12.749 1.00 0.00 C ATOM 403 C LYS A 150 -6.007 7.645 -14.112 1.00 0.00 C ATOM 404 O LYS A 150 -6.872 8.025 -14.898 1.00 0.00 O ATOM 405 CB LYS A 150 -5.391 9.748 -12.927 1.00 0.00 C ATOM 406 CG LYS A 150 -3.976 9.826 -13.515 1.00 0.00 C ATOM 407 CD LYS A 150 -3.321 11.148 -13.127 1.00 0.00 C ATOM 408 CE LYS A 150 -3.025 11.136 -11.626 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.533 12.447 -11.165 1.00 0.00 N ATOM 0 H LYS A 150 -4.009 8.087 -11.803 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.835 8.279 -12.273 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -6.085 10.275 -13.582 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.412 10.258 -11.964 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.376 8.993 -13.150 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.019 9.737 -14.601 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.399 11.291 -13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.979 11.981 -13.374 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.929 10.871 -11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.282 10.369 -11.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.707 12.544 -10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.512 12.519 -11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.032 13.204 -11.675 1.00 0.00 H new ATOM 423 N GLU A 151 -5.163 6.652 -14.379 1.00 0.00 N ATOM 424 CA GLU A 151 -5.241 5.847 -15.592 1.00 0.00 C ATOM 425 C GLU A 151 -5.514 4.381 -15.275 1.00 0.00 C ATOM 426 O GLU A 151 -5.618 3.559 -16.189 1.00 0.00 O ATOM 427 CB GLU A 151 -3.950 5.968 -16.410 1.00 0.00 C ATOM 428 CG GLU A 151 -3.463 7.411 -16.504 1.00 0.00 C ATOM 429 CD GLU A 151 -2.476 7.590 -17.657 1.00 0.00 C ATOM 430 OE1 GLU A 151 -1.666 6.669 -17.893 1.00 0.00 O ATOM 431 OE2 GLU A 151 -2.548 8.664 -18.299 1.00 0.00 O ATOM 0 H GLU A 151 -4.402 6.383 -13.756 1.00 0.00 H new ATOM 0 HA GLU A 151 -6.074 6.231 -16.181 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -3.174 5.353 -15.955 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -4.119 5.577 -17.413 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -4.315 8.076 -16.645 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.986 7.698 -15.567 1.00 0.00 H new ATOM 438 N CYS A 152 -5.633 4.044 -13.987 1.00 0.00 N ATOM 439 CA CYS A 152 -5.940 2.690 -13.556 1.00 0.00 C ATOM 440 C CYS A 152 -7.320 2.271 -14.066 1.00 0.00 C ATOM 441 O CYS A 152 -8.113 3.120 -14.481 1.00 0.00 O ATOM 442 CB CYS A 152 -5.847 2.618 -12.033 1.00 0.00 C ATOM 443 SG CYS A 152 -5.420 0.926 -11.557 1.00 0.00 S ATOM 0 H CYS A 152 -5.518 4.706 -13.220 1.00 0.00 H new ATOM 0 HA CYS A 152 -5.218 1.990 -13.977 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.093 3.315 -11.667 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.796 2.909 -11.582 1.00 0.00 H new ATOM 448 N LYS A 153 -7.599 0.967 -14.033 1.00 0.00 N ATOM 449 CA LYS A 153 -8.793 0.397 -14.641 1.00 0.00 C ATOM 450 C LYS A 153 -9.497 -0.616 -13.753 1.00 0.00 C ATOM 451 O LYS A 153 -10.442 -1.274 -14.182 1.00 0.00 O ATOM 452 CB LYS A 153 -8.461 -0.180 -16.015 1.00 0.00 C ATOM 453 CG LYS A 153 -7.033 -0.712 -16.097 1.00 0.00 C ATOM 454 CD LYS A 153 -6.763 -1.899 -15.175 1.00 0.00 C ATOM 455 CE LYS A 153 -5.284 -2.211 -15.355 1.00 0.00 C ATOM 456 NZ LYS A 153 -4.852 -3.377 -14.569 1.00 0.00 N ATOM 0 H LYS A 153 -6.998 0.278 -13.581 1.00 0.00 H new ATOM 0 HA LYS A 153 -9.508 1.210 -14.768 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -9.159 -0.985 -16.245 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -8.602 0.591 -16.773 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -6.824 -1.008 -17.125 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -6.341 0.093 -15.850 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.991 -1.653 -14.138 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -7.382 -2.755 -15.443 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.081 -2.393 -16.410 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.695 -1.342 -15.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.838 -3.546 -14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -5.019 -3.196 -13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -5.393 -4.215 -14.865 1.00 0.00 H new ATOM 470 N LEU A 154 -9.031 -0.739 -12.516 1.00 0.00 N ATOM 471 CA LEU A 154 -9.672 -1.550 -11.491 1.00 0.00 C ATOM 472 C LEU A 154 -10.105 -0.629 -10.346 1.00 0.00 C ATOM 473 O LEU A 154 -9.654 0.515 -10.282 1.00 0.00 O ATOM 474 CB LEU A 154 -8.739 -2.702 -11.073 1.00 0.00 C ATOM 475 CG LEU A 154 -7.301 -2.286 -10.793 1.00 0.00 C ATOM 476 CD1 LEU A 154 -7.252 -1.636 -9.427 1.00 0.00 C ATOM 477 CD2 LEU A 154 -6.417 -3.527 -10.747 1.00 0.00 C ATOM 0 H LEU A 154 -8.184 -0.271 -12.193 1.00 0.00 H new ATOM 0 HA LEU A 154 -10.574 -2.035 -11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -9.146 -3.176 -10.180 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -8.738 -3.455 -11.861 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.957 -1.603 -11.570 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -6.229 -1.330 -9.206 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.903 -0.762 -9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.589 -2.348 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -5.387 -3.233 -10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.765 -4.192 -9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -6.467 -4.045 -11.705 1.00 0.00 H new ATOM 489 N PRO A 155 -10.969 -1.093 -9.439 1.00 0.00 N ATOM 490 CA PRO A 155 -11.470 -0.283 -8.341 1.00 0.00 C ATOM 491 C PRO A 155 -10.336 0.011 -7.366 1.00 0.00 C ATOM 492 O PRO A 155 -9.282 -0.614 -7.447 1.00 0.00 O ATOM 493 CB PRO A 155 -12.594 -1.106 -7.710 1.00 0.00 C ATOM 494 CG PRO A 155 -12.205 -2.544 -8.037 1.00 0.00 C ATOM 495 CD PRO A 155 -11.522 -2.428 -9.394 1.00 0.00 C ATOM 0 HA PRO A 155 -11.850 0.687 -8.660 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.657 -0.942 -6.634 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.566 -0.847 -8.130 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.535 -2.959 -7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -13.078 -3.196 -8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.741 -3.180 -9.505 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -12.233 -2.585 -10.205 1.00 0.00 H new ATOM 503 N PRO A 156 -10.532 0.954 -6.436 1.00 0.00 N ATOM 504 CA PRO A 156 -9.490 1.394 -5.531 1.00 0.00 C ATOM 505 C PRO A 156 -9.062 0.271 -4.600 1.00 0.00 C ATOM 506 O PRO A 156 -9.731 -0.020 -3.607 1.00 0.00 O ATOM 507 CB PRO A 156 -10.073 2.589 -4.772 1.00 0.00 C ATOM 508 CG PRO A 156 -11.577 2.364 -4.853 1.00 0.00 C ATOM 509 CD PRO A 156 -11.766 1.675 -6.201 1.00 0.00 C ATOM 0 HA PRO A 156 -8.585 1.684 -6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -9.726 2.616 -3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -9.784 3.535 -5.230 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.934 1.742 -4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.126 3.304 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.620 0.998 -6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -11.954 2.402 -6.992 1.00 0.00 H new ATOM 517 N GLN A 157 -7.935 -0.364 -4.931 1.00 0.00 N ATOM 518 CA GLN A 157 -7.343 -1.393 -4.100 1.00 0.00 C ATOM 519 C GLN A 157 -6.794 -0.734 -2.842 1.00 0.00 C ATOM 520 O GLN A 157 -6.494 0.462 -2.852 1.00 0.00 O ATOM 521 CB GLN A 157 -6.205 -2.086 -4.861 1.00 0.00 C ATOM 522 CG GLN A 157 -6.645 -2.575 -6.238 1.00 0.00 C ATOM 523 CD GLN A 157 -7.729 -3.646 -6.189 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.564 -4.679 -5.547 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.848 -3.408 -6.866 1.00 0.00 N ATOM 0 H GLN A 157 -7.413 -0.172 -5.786 1.00 0.00 H new ATOM 0 HA GLN A 157 -8.092 -2.140 -3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.371 -1.393 -4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.841 -2.931 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -7.011 -1.726 -6.816 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.778 -2.971 -6.767 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.952 -2.539 -7.389 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.602 -4.095 -6.862 1.00 0.00 H new ATOM 534 N PRO A 158 -6.651 -1.489 -1.751 1.00 0.00 N ATOM 535 CA PRO A 158 -6.086 -0.981 -0.521 1.00 0.00 C ATOM 536 C PRO A 158 -4.579 -0.810 -0.698 1.00 0.00 C ATOM 537 O PRO A 158 -3.902 -1.702 -1.209 1.00 0.00 O ATOM 538 CB PRO A 158 -6.425 -2.036 0.530 1.00 0.00 C ATOM 539 CG PRO A 158 -6.501 -3.331 -0.275 1.00 0.00 C ATOM 540 CD PRO A 158 -7.014 -2.883 -1.645 1.00 0.00 C ATOM 0 HA PRO A 158 -6.478 -0.007 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.661 -2.090 1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.370 -1.817 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.526 -3.812 -0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.176 -4.051 0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.562 -3.469 -2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.093 -3.015 -1.723 1.00 0.00 H new ATOM 548 N LYS A 159 -4.060 0.347 -0.275 1.00 0.00 N ATOM 549 CA LYS A 159 -2.633 0.635 -0.324 1.00 0.00 C ATOM 550 C LYS A 159 -1.917 -0.194 0.737 1.00 0.00 C ATOM 551 O LYS A 159 -1.951 0.136 1.924 1.00 0.00 O ATOM 552 CB LYS A 159 -2.338 2.141 -0.212 1.00 0.00 C ATOM 553 CG LYS A 159 -3.208 2.934 0.766 1.00 0.00 C ATOM 554 CD LYS A 159 -2.768 4.403 0.776 1.00 0.00 C ATOM 555 CE LYS A 159 -1.747 4.682 1.875 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.390 4.750 3.198 1.00 0.00 N ATOM 0 H LYS A 159 -4.622 1.107 0.110 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.245 0.346 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.295 2.264 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.445 2.585 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.256 2.860 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.123 2.512 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -2.339 4.660 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -3.639 5.042 0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -0.988 3.899 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -1.235 5.622 1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -1.866 4.153 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.388 5.734 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -3.370 4.411 3.125 1.00 0.00 H new ATOM 570 N LYS A 160 -1.267 -1.268 0.287 1.00 0.00 N ATOM 571 CA LYS A 160 -0.528 -2.184 1.133 1.00 0.00 C ATOM 572 C LYS A 160 0.809 -1.580 1.539 1.00 0.00 C ATOM 573 O LYS A 160 1.268 -0.603 0.951 1.00 0.00 O ATOM 574 CB LYS A 160 -0.253 -3.468 0.355 1.00 0.00 C ATOM 575 CG LYS A 160 -1.539 -4.228 0.024 1.00 0.00 C ATOM 576 CD LYS A 160 -1.311 -5.157 -1.169 1.00 0.00 C ATOM 577 CE LYS A 160 -2.534 -5.087 -2.081 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.322 -5.869 -3.310 1.00 0.00 N ATOM 0 H LYS A 160 -1.244 -1.524 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.120 -2.386 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.272 -3.226 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.407 -4.110 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.861 -4.808 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.339 -3.523 -0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.415 -4.860 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.152 -6.180 -0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.409 -5.465 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.741 -4.048 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.167 -5.805 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.501 -5.491 -3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.148 -6.864 -3.063 1.00 0.00 H new ATOM 592 N CYS A 161 1.428 -2.179 2.556 1.00 0.00 N ATOM 593 CA CYS A 161 2.784 -1.868 2.966 1.00 0.00 C ATOM 594 C CYS A 161 3.747 -2.146 1.808 1.00 0.00 C ATOM 595 O CYS A 161 3.742 -3.243 1.247 1.00 0.00 O ATOM 596 CB CYS A 161 3.080 -2.739 4.188 1.00 0.00 C ATOM 597 SG CYS A 161 4.806 -2.617 4.713 1.00 0.00 S ATOM 0 H CYS A 161 0.989 -2.904 3.123 1.00 0.00 H new ATOM 0 HA CYS A 161 2.907 -0.817 3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.430 -2.441 5.011 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.845 -3.778 3.957 1.00 0.00 H new ATOM 602 N HIS A 162 4.571 -1.166 1.439 1.00 0.00 N ATOM 603 CA HIS A 162 5.569 -1.307 0.387 1.00 0.00 C ATOM 604 C HIS A 162 6.667 -2.295 0.782 1.00 0.00 C ATOM 605 O HIS A 162 7.682 -2.392 0.091 1.00 0.00 O ATOM 606 CB HIS A 162 6.204 0.055 0.104 1.00 0.00 C ATOM 607 CG HIS A 162 5.323 1.021 -0.639 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.352 0.677 -1.574 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.369 2.383 -0.512 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.849 1.844 -2.004 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.436 2.882 -1.385 1.00 0.00 N ATOM 0 H HIS A 162 4.562 -0.241 1.870 1.00 0.00 H new ATOM 0 HA HIS A 162 5.068 -1.689 -0.502 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.497 0.507 1.052 1.00 0.00 H new ATOM 0 HB3 HIS A 162 7.117 -0.098 -0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 162 6.011 2.951 0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 162 3.074 1.937 -2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 162 4.225 3.868 -1.537 1.00 0.00 H new ATOM 619 N PHE A 163 6.487 -3.023 1.885 1.00 0.00 N ATOM 620 CA PHE A 163 7.560 -3.800 2.476 1.00 0.00 C ATOM 621 C PHE A 163 7.161 -5.233 2.791 1.00 0.00 C ATOM 622 O PHE A 163 7.970 -6.147 2.632 1.00 0.00 O ATOM 623 CB PHE A 163 7.913 -3.075 3.759 1.00 0.00 C ATOM 624 CG PHE A 163 9.327 -3.256 4.225 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.684 -4.419 4.915 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.272 -2.253 3.971 1.00 0.00 C ATOM 627 CE1 PHE A 163 11.011 -4.578 5.345 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.589 -2.407 4.415 1.00 0.00 C ATOM 629 CZ PHE A 163 11.960 -3.572 5.093 1.00 0.00 C ATOM 0 H PHE A 163 5.600 -3.086 2.384 1.00 0.00 H new ATOM 0 HA PHE A 163 8.392 -3.877 1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.727 -2.010 3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.241 -3.415 4.547 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.949 -5.185 5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 163 9.984 -1.362 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.303 -5.475 5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.316 -1.629 4.235 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.980 -3.700 5.425 1.00 0.00 H new ATOM 639 N CYS A 164 5.917 -5.431 3.239 1.00 0.00 N ATOM 640 CA CYS A 164 5.400 -6.758 3.532 1.00 0.00 C ATOM 641 C CYS A 164 4.015 -6.957 2.916 1.00 0.00 C ATOM 642 O CYS A 164 3.379 -7.991 3.125 1.00 0.00 O ATOM 643 CB CYS A 164 5.355 -6.912 5.041 1.00 0.00 C ATOM 644 SG CYS A 164 4.072 -5.814 5.663 1.00 0.00 S ATOM 0 H CYS A 164 5.250 -4.678 3.405 1.00 0.00 H new ATOM 0 HA CYS A 164 6.048 -7.519 3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.140 -7.945 5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.320 -6.660 5.480 1.00 0.00 H new ATOM 649 N GLN A 165 3.567 -5.954 2.160 1.00 0.00 N ATOM 650 CA GLN A 165 2.268 -5.885 1.512 1.00 0.00 C ATOM 651 C GLN A 165 1.096 -6.066 2.479 1.00 0.00 C ATOM 652 O GLN A 165 0.006 -6.461 2.066 1.00 0.00 O ATOM 653 CB GLN A 165 2.196 -6.830 0.313 1.00 0.00 C ATOM 654 CG GLN A 165 3.133 -6.381 -0.817 1.00 0.00 C ATOM 655 CD GLN A 165 4.605 -6.561 -0.474 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.083 -7.688 -0.373 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.329 -5.458 -0.287 1.00 0.00 N ATOM 0 H GLN A 165 4.135 -5.127 1.977 1.00 0.00 H new ATOM 0 HA GLN A 165 2.163 -4.869 1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.462 -7.839 0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.172 -6.871 -0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.904 -6.948 -1.719 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.944 -5.332 -1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.894 -4.540 -0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.319 -5.531 -0.051 1.00 0.00 H new ATOM 666 N SER A 166 1.303 -5.778 3.767 1.00 0.00 N ATOM 667 CA SER A 166 0.247 -5.860 4.761 1.00 0.00 C ATOM 668 C SER A 166 -0.550 -4.555 4.788 1.00 0.00 C ATOM 669 O SER A 166 -0.033 -3.534 5.227 1.00 0.00 O ATOM 670 CB SER A 166 0.878 -6.093 6.135 1.00 0.00 C ATOM 671 OG SER A 166 1.617 -7.300 6.135 1.00 0.00 O ATOM 0 H SER A 166 2.205 -5.484 4.141 1.00 0.00 H new ATOM 0 HA SER A 166 -0.424 -6.682 4.510 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.531 -5.258 6.390 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.101 -6.134 6.898 1.00 0.00 H new ATOM 0 HG SER A 166 2.560 -7.106 6.320 1.00 0.00 H new ATOM 677 N ILE A 167 -1.801 -4.587 4.320 1.00 0.00 N ATOM 678 CA ILE A 167 -2.708 -3.438 4.389 1.00 0.00 C ATOM 679 C ILE A 167 -2.964 -3.006 5.826 1.00 0.00 C ATOM 680 O ILE A 167 -3.383 -1.879 6.066 1.00 0.00 O ATOM 681 CB ILE A 167 -4.045 -3.791 3.745 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.663 -5.019 4.432 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.808 -4.063 2.265 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.707 -5.704 3.552 1.00 0.00 C ATOM 0 H ILE A 167 -2.214 -5.411 3.882 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.230 -2.616 3.856 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.744 -2.963 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.875 -5.730 4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.124 -4.715 5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.753 -4.318 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.390 -3.173 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.110 -4.893 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.117 -6.566 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.509 -5.002 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.241 -6.033 2.623 1.00 0.00 H new ATOM 696 N SER A 168 -2.707 -3.910 6.773 1.00 0.00 N ATOM 697 CA SER A 168 -2.807 -3.658 8.197 1.00 0.00 C ATOM 698 C SER A 168 -2.131 -2.333 8.535 1.00 0.00 C ATOM 699 O SER A 168 -2.707 -1.495 9.227 1.00 0.00 O ATOM 700 CB SER A 168 -2.216 -4.834 8.962 1.00 0.00 C ATOM 701 OG SER A 168 -2.276 -4.608 10.355 1.00 0.00 O ATOM 0 H SER A 168 -2.416 -4.863 6.556 1.00 0.00 H new ATOM 0 HA SER A 168 -3.851 -3.568 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.760 -5.745 8.713 1.00 0.00 H new ATOM 0 HB3 SER A 168 -1.180 -4.988 8.658 1.00 0.00 H new ATOM 0 HG SER A 168 -1.893 -5.376 10.828 1.00 0.00 H new ATOM 707 N HIS A 169 -0.900 -2.156 8.046 1.00 0.00 N ATOM 708 CA HIS A 169 -0.081 -0.990 8.327 1.00 0.00 C ATOM 709 C HIS A 169 0.499 -0.440 7.026 1.00 0.00 C ATOM 710 O HIS A 169 0.046 -0.773 5.932 1.00 0.00 O ATOM 711 CB HIS A 169 1.027 -1.377 9.312 1.00 0.00 C ATOM 712 CG HIS A 169 1.873 -2.534 8.849 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.783 -3.835 9.292 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.871 -2.504 7.912 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.703 -4.558 8.634 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.399 -3.789 7.780 1.00 0.00 N ATOM 0 H HIS A 169 -0.444 -2.834 7.435 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.688 -0.207 8.781 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.670 -0.513 9.480 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.576 -1.630 10.272 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.133 -4.187 9.995 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.196 -1.631 7.366 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.862 -5.617 8.773 1.00 0.00 H new ATOM 724 N MET A 170 1.516 0.408 7.153 1.00 0.00 N ATOM 725 CA MET A 170 2.240 0.984 6.041 1.00 0.00 C ATOM 726 C MET A 170 3.714 0.694 6.251 1.00 0.00 C ATOM 727 O MET A 170 4.136 0.409 7.370 1.00 0.00 O ATOM 728 CB MET A 170 2.021 2.497 6.047 1.00 0.00 C ATOM 729 CG MET A 170 0.559 2.894 5.828 1.00 0.00 C ATOM 730 SD MET A 170 0.133 3.326 4.125 1.00 0.00 S ATOM 731 CE MET A 170 0.204 1.708 3.333 1.00 0.00 C ATOM 0 H MET A 170 1.863 0.717 8.061 1.00 0.00 H new ATOM 0 HA MET A 170 1.899 0.568 5.093 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.363 2.904 6.999 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.635 2.950 5.268 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.078 2.069 6.148 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.328 3.743 6.471 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.036 1.810 2.275 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.207 1.295 3.439 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.516 1.040 3.806 1.00 0.00 H new ATOM 741 N VAL A 171 4.516 0.774 5.192 1.00 0.00 N ATOM 742 CA VAL A 171 5.958 0.631 5.330 1.00 0.00 C ATOM 743 C VAL A 171 6.477 1.658 6.317 1.00 0.00 C ATOM 744 O VAL A 171 7.556 1.498 6.881 1.00 0.00 O ATOM 745 CB VAL A 171 6.627 0.846 3.982 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.566 2.321 3.604 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.089 0.449 4.024 1.00 0.00 C ATOM 0 H VAL A 171 4.193 0.936 4.238 1.00 0.00 H new ATOM 0 HA VAL A 171 6.186 -0.372 5.691 1.00 0.00 H new ATOM 0 HB VAL A 171 6.098 0.230 3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.047 2.469 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.525 2.638 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.082 2.912 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.539 0.614 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.608 1.052 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.172 -0.605 4.288 1.00 0.00 H new ATOM 757 N ALA A 172 5.691 2.717 6.513 1.00 0.00 N ATOM 758 CA ALA A 172 6.029 3.787 7.416 1.00 0.00 C ATOM 759 C ALA A 172 6.120 3.277 8.851 1.00 0.00 C ATOM 760 O ALA A 172 6.631 3.965 9.734 1.00 0.00 O ATOM 761 CB ALA A 172 4.977 4.884 7.303 1.00 0.00 C ATOM 0 H ALA A 172 4.797 2.845 6.039 1.00 0.00 H new ATOM 0 HA ALA A 172 7.005 4.190 7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.226 5.698 7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.953 5.261 6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.999 4.479 7.564 1.00 0.00 H new ATOM 767 N SER A 173 5.615 2.062 9.055 1.00 0.00 N ATOM 768 CA SER A 173 5.558 1.432 10.359 1.00 0.00 C ATOM 769 C SER A 173 5.787 -0.076 10.250 1.00 0.00 C ATOM 770 O SER A 173 5.521 -0.787 11.215 1.00 0.00 O ATOM 771 CB SER A 173 4.197 1.706 10.991 1.00 0.00 C ATOM 772 OG SER A 173 4.374 2.045 12.346 1.00 0.00 O ATOM 0 H SER A 173 5.231 1.486 8.306 1.00 0.00 H new ATOM 0 HA SER A 173 6.347 1.849 10.984 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.695 2.517 10.464 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.559 0.826 10.904 1.00 0.00 H new ATOM 0 HG SER A 173 3.502 2.223 12.755 1.00 0.00 H new ATOM 778 N CYS A 174 6.257 -0.567 9.097 1.00 0.00 N ATOM 779 CA CYS A 174 6.400 -2.009 8.911 1.00 0.00 C ATOM 780 C CYS A 174 7.140 -2.629 10.099 1.00 0.00 C ATOM 781 O CYS A 174 8.193 -2.136 10.501 1.00 0.00 O ATOM 782 CB CYS A 174 7.122 -2.336 7.602 1.00 0.00 C ATOM 783 SG CYS A 174 6.871 -4.085 7.221 1.00 0.00 S ATOM 0 H CYS A 174 6.538 0.001 8.298 1.00 0.00 H new ATOM 0 HA CYS A 174 5.400 -2.439 8.855 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.738 -1.714 6.793 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.186 -2.118 7.693 1.00 0.00 H new ATOM 788 N PRO A 175 6.602 -3.710 10.672 1.00 0.00 N ATOM 789 CA PRO A 175 7.220 -4.382 11.797 1.00 0.00 C ATOM 790 C PRO A 175 8.470 -5.126 11.356 1.00 0.00 C ATOM 791 O PRO A 175 9.246 -5.570 12.197 1.00 0.00 O ATOM 792 CB PRO A 175 6.155 -5.351 12.312 1.00 0.00 C ATOM 793 CG PRO A 175 5.356 -5.681 11.049 1.00 0.00 C ATOM 794 CD PRO A 175 5.365 -4.360 10.290 1.00 0.00 C ATOM 0 HA PRO A 175 7.539 -3.683 12.570 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.600 -6.243 12.754 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.529 -4.894 13.078 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.821 -6.481 10.474 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.342 -6.005 11.285 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.323 -4.524 9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.502 -3.749 10.553 1.00 0.00 H new ATOM 802 N LEU A 176 8.669 -5.272 10.041 1.00 0.00 N ATOM 803 CA LEU A 176 9.826 -5.974 9.522 1.00 0.00 C ATOM 804 C LEU A 176 11.003 -5.026 9.371 1.00 0.00 C ATOM 805 O LEU A 176 12.089 -5.312 9.857 1.00 0.00 O ATOM 806 CB LEU A 176 9.502 -6.544 8.149 1.00 0.00 C ATOM 807 CG LEU A 176 8.232 -7.387 8.170 1.00 0.00 C ATOM 808 CD1 LEU A 176 8.042 -7.995 6.786 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.358 -8.494 9.209 1.00 0.00 C ATOM 0 H LEU A 176 8.039 -4.910 9.325 1.00 0.00 H new ATOM 0 HA LEU A 176 10.082 -6.770 10.221 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.385 -5.728 7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.337 -7.153 7.802 1.00 0.00 H new ATOM 0 HG LEU A 176 7.375 -6.766 8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.138 -8.604 6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.950 -7.198 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.902 -8.619 6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.446 -9.091 9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.207 -9.131 8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.511 -8.053 10.194 1.00 0.00 H new ATOM 821 N LYS A 177 10.800 -3.887 8.695 1.00 0.00 N ATOM 822 CA LYS A 177 11.892 -2.968 8.415 1.00 0.00 C ATOM 823 C LYS A 177 12.609 -2.544 9.690 1.00 0.00 C ATOM 824 O LYS A 177 13.718 -2.020 9.626 1.00 0.00 O ATOM 825 CB LYS A 177 11.374 -1.746 7.664 1.00 0.00 C ATOM 826 CG LYS A 177 10.622 -0.828 8.608 1.00 0.00 C ATOM 827 CD LYS A 177 10.133 0.427 7.891 1.00 0.00 C ATOM 828 CE LYS A 177 11.248 1.443 7.631 1.00 0.00 C ATOM 829 NZ LYS A 177 11.617 2.170 8.859 1.00 0.00 N ATOM 0 H LYS A 177 9.893 -3.588 8.337 1.00 0.00 H new ATOM 0 HA LYS A 177 12.615 -3.490 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.207 -1.209 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.718 -2.061 6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.772 -1.360 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.271 -0.546 9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.680 0.142 6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.352 0.898 8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.124 0.929 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 177 10.924 2.153 6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.363 2.862 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 10.783 2.666 9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 11.966 1.496 9.570 1.00 0.00 H new ATOM 843 N ALA A 178 11.972 -2.773 10.837 1.00 0.00 N ATOM 844 CA ALA A 178 12.514 -2.435 12.132 1.00 0.00 C ATOM 845 C ALA A 178 13.878 -3.074 12.372 1.00 0.00 C ATOM 846 O ALA A 178 14.630 -2.629 13.242 1.00 0.00 O ATOM 847 CB ALA A 178 11.524 -2.908 13.184 1.00 0.00 C ATOM 0 H ALA A 178 11.050 -3.206 10.883 1.00 0.00 H new ATOM 0 HA ALA A 178 12.662 -1.356 12.185 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.905 -2.667 14.176 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.566 -2.410 13.032 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.390 -3.986 13.099 1.00 0.00 H new ATOM 853 N GLN A 179 14.191 -4.112 11.596 1.00 0.00 N ATOM 854 CA GLN A 179 15.478 -4.791 11.650 1.00 0.00 C ATOM 855 C GLN A 179 15.899 -5.229 10.247 1.00 0.00 C ATOM 856 O GLN A 179 16.701 -6.158 10.104 1.00 0.00 O ATOM 857 CB GLN A 179 15.414 -5.954 12.646 1.00 0.00 C ATOM 858 CG GLN A 179 14.250 -6.904 12.362 1.00 0.00 C ATOM 859 CD GLN A 179 12.939 -6.437 12.981 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.923 -5.891 14.080 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.833 -6.648 12.275 1.00 0.00 N ATOM 0 H GLN A 179 13.550 -4.506 10.907 1.00 0.00 H new ATOM 0 HA GLN A 179 16.246 -4.107 12.010 1.00 0.00 H new ATOM 0 HB2 GLN A 179 16.350 -6.511 12.610 1.00 0.00 H new ATOM 0 HB3 GLN A 179 15.317 -5.558 13.657 1.00 0.00 H new ATOM 0 HG2 GLN A 179 14.122 -7.002 11.284 1.00 0.00 H new ATOM 0 HG3 GLN A 179 14.494 -7.895 12.745 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.888 -7.105 11.365 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.929 -6.353 12.643 1.00 0.00 H new ATOM 870 N GLN A 180 15.364 -4.572 9.213 1.00 0.00 N ATOM 871 CA GLN A 180 15.704 -4.863 7.823 1.00 0.00 C ATOM 872 C GLN A 180 16.025 -3.579 7.058 1.00 0.00 C ATOM 873 O GLN A 180 16.616 -3.633 5.980 1.00 0.00 O ATOM 874 CB GLN A 180 14.519 -5.543 7.135 1.00 0.00 C ATOM 875 CG GLN A 180 13.901 -6.666 7.957 1.00 0.00 C ATOM 876 CD GLN A 180 14.734 -7.940 7.958 1.00 0.00 C ATOM 877 OE1 GLN A 180 15.769 -8.030 7.301 1.00 0.00 O ATOM 878 NE2 GLN A 180 14.277 -8.948 8.695 1.00 0.00 N ATOM 0 H GLN A 180 14.681 -3.822 9.320 1.00 0.00 H new ATOM 0 HA GLN A 180 16.578 -5.515 7.821 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.754 -4.796 6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.847 -5.944 6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.770 -6.325 8.984 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.908 -6.889 7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 180 13.414 -8.840 9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 180 14.789 -9.830 8.727 1.00 0.00 H new ATOM 887 N GLY A 181 15.645 -2.427 7.611 1.00 0.00 N ATOM 888 CA GLY A 181 15.877 -1.141 6.967 1.00 0.00 C ATOM 889 C GLY A 181 15.288 0.018 7.761 1.00 0.00 C ATOM 890 O GLY A 181 14.467 0.762 7.224 1.00 0.00 O ATOM 0 H GLY A 181 15.171 -2.362 8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 181 16.949 -0.987 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.440 -1.153 5.968 1.00 0.00 H new ATOM 894 N PRO A 182 15.677 0.195 9.032 1.00 0.00 N ATOM 895 CA PRO A 182 15.206 1.270 9.889 1.00 0.00 C ATOM 896 C PRO A 182 15.718 2.638 9.429 1.00 0.00 C ATOM 897 O PRO A 182 15.362 3.660 10.014 1.00 0.00 O ATOM 898 CB PRO A 182 15.711 0.918 11.287 1.00 0.00 C ATOM 899 CG PRO A 182 16.976 0.117 11.010 1.00 0.00 C ATOM 900 CD PRO A 182 16.626 -0.643 9.741 1.00 0.00 C ATOM 0 HA PRO A 182 14.120 1.354 9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 182 15.921 1.811 11.876 1.00 0.00 H new ATOM 0 HB3 PRO A 182 14.979 0.334 11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.841 0.765 10.867 1.00 0.00 H new ATOM 0 HG3 PRO A 182 17.215 -0.558 11.832 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.514 -0.827 9.137 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.192 -1.616 9.974 1.00 0.00 H new ATOM 908 N SER A 183 16.553 2.661 8.384 1.00 0.00 N ATOM 909 CA SER A 183 17.074 3.878 7.789 1.00 0.00 C ATOM 910 C SER A 183 17.462 3.602 6.336 1.00 0.00 C ATOM 911 O SER A 183 17.336 2.470 5.868 1.00 0.00 O ATOM 912 CB SER A 183 18.297 4.346 8.582 1.00 0.00 C ATOM 913 OG SER A 183 18.685 5.637 8.153 1.00 0.00 O ATOM 0 H SER A 183 16.887 1.813 7.926 1.00 0.00 H new ATOM 0 HA SER A 183 16.314 4.659 7.813 1.00 0.00 H new ATOM 0 HB2 SER A 183 18.066 4.362 9.647 1.00 0.00 H new ATOM 0 HB3 SER A 183 19.120 3.645 8.444 1.00 0.00 H new ATOM 0 HG SER A 183 19.467 5.931 8.666 1.00 0.00 H new ATOM 919 N ALA A 184 17.931 4.630 5.628 1.00 0.00 N ATOM 920 CA ALA A 184 18.393 4.505 4.255 1.00 0.00 C ATOM 921 C ALA A 184 19.543 5.471 3.969 1.00 0.00 C ATOM 922 O ALA A 184 19.960 5.615 2.818 1.00 0.00 O ATOM 923 CB ALA A 184 17.226 4.767 3.298 1.00 0.00 C ATOM 0 H ALA A 184 17.999 5.578 5.999 1.00 0.00 H new ATOM 0 HA ALA A 184 18.766 3.492 4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 184 17.572 4.673 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 184 16.434 4.041 3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 184 16.840 5.773 3.461 1.00 0.00 H new ATOM 929 N GLN A 185 20.051 6.136 5.014 1.00 0.00 N ATOM 930 CA GLN A 185 21.108 7.134 4.915 1.00 0.00 C ATOM 931 C GLN A 185 20.880 8.084 3.738 1.00 0.00 C ATOM 932 O GLN A 185 21.818 8.453 3.031 1.00 0.00 O ATOM 933 CB GLN A 185 22.457 6.423 4.858 1.00 0.00 C ATOM 934 CG GLN A 185 22.737 5.705 6.182 1.00 0.00 C ATOM 935 CD GLN A 185 24.016 4.881 6.114 1.00 0.00 C ATOM 936 OE1 GLN A 185 24.881 5.106 5.270 1.00 0.00 O ATOM 937 NE2 GLN A 185 24.147 3.910 7.013 1.00 0.00 N ATOM 0 H GLN A 185 19.727 5.988 5.970 1.00 0.00 H new ATOM 0 HA GLN A 185 21.097 7.769 5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 185 22.462 5.704 4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 185 23.248 7.145 4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 185 22.818 6.439 6.984 1.00 0.00 H new ATOM 0 HG3 GLN A 185 21.898 5.055 6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 185 23.411 3.749 7.700 1.00 0.00 H new ATOM 0 HE22 GLN A 185 24.984 3.326 7.015 1.00 0.00 H new ATOM 946 N GLY A 186 19.620 8.472 3.533 1.00 0.00 N ATOM 947 CA GLY A 186 19.224 9.387 2.476 1.00 0.00 C ATOM 948 C GLY A 186 17.740 9.688 2.593 1.00 0.00 C ATOM 949 O GLY A 186 16.946 8.750 2.351 1.00 0.00 O ATOM 950 OXT GLY A 186 17.420 10.847 2.926 1.00 0.00 O ATOM 0 H GLY A 186 18.840 8.152 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 186 19.799 10.310 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 186 19.441 8.949 1.502 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 11.386 7.268 5.845 1.00 0.00 O ATOM 956 C5' A B 1 10.096 6.791 6.165 1.00 0.00 C ATOM 957 C4' A B 1 9.076 7.287 5.144 1.00 0.00 C ATOM 958 O4' A B 1 9.419 6.768 3.864 1.00 0.00 O ATOM 959 C3' A B 1 7.710 6.742 5.561 1.00 0.00 C ATOM 960 O3' A B 1 6.658 7.709 5.549 1.00 0.00 O ATOM 961 C2' A B 1 7.527 5.584 4.593 1.00 0.00 C ATOM 962 O2' A B 1 6.177 5.395 4.273 1.00 0.00 O ATOM 963 C1' A B 1 8.326 6.018 3.378 1.00 0.00 C ATOM 964 N9 A B 1 8.708 4.880 2.514 1.00 0.00 N ATOM 965 C8 A B 1 8.279 4.648 1.233 1.00 0.00 C ATOM 966 N7 A B 1 8.744 3.553 0.702 1.00 0.00 N ATOM 967 C5 A B 1 9.537 3.011 1.715 1.00 0.00 C ATOM 968 C6 A B 1 10.309 1.836 1.804 1.00 0.00 C ATOM 969 N6 A B 1 10.422 0.949 0.814 1.00 0.00 N ATOM 970 N1 A B 1 10.967 1.587 2.946 1.00 0.00 N ATOM 971 C2 A B 1 10.839 2.435 3.952 1.00 0.00 C ATOM 972 N3 A B 1 10.149 3.569 4.006 1.00 0.00 N ATOM 973 C4 A B 1 9.506 3.802 2.830 1.00 0.00 C ATOM 0 H5' A B 1 9.814 7.128 7.163 1.00 0.00 H new ATOM 0 H5'' A B 1 10.099 5.701 6.185 1.00 0.00 H new ATOM 0 H4' A B 1 9.060 8.376 5.100 1.00 0.00 H new ATOM 0 H3' A B 1 7.668 6.433 6.605 1.00 0.00 H new ATOM 0 H2' A B 1 7.859 4.630 5.003 1.00 0.00 H new ATOM 0 HO2' A B 1 5.896 6.074 3.625 1.00 0.00 H new ATOM 0 HO5' A B 1 11.461 7.382 4.875 1.00 0.00 H new ATOM 0 H1' A B 1 7.726 6.640 2.713 1.00 0.00 H new ATOM 0 H8 A B 1 7.612 5.316 0.708 1.00 0.00 H new ATOM 0 H61 A B 1 10.997 0.116 0.939 1.00 0.00 H new ATOM 0 H62 A B 1 9.933 1.104 -0.068 1.00 0.00 H new ATOM 0 H2 A B 1 11.369 2.169 4.855 1.00 0.00 H new ATOM 986 P G B 2 6.395 8.819 4.400 1.00 0.00 P ATOM 987 OP1 G B 2 7.422 8.728 3.339 1.00 0.00 O ATOM 988 OP2 G B 2 6.200 10.109 5.091 1.00 0.00 O ATOM 989 O5' G B 2 4.980 8.411 3.748 1.00 0.00 O ATOM 990 C5' G B 2 4.272 9.360 2.973 1.00 0.00 C ATOM 991 C4' G B 2 2.849 8.903 2.634 1.00 0.00 C ATOM 992 O4' G B 2 2.831 7.797 1.741 1.00 0.00 O ATOM 993 C3' G B 2 2.053 8.508 3.886 1.00 0.00 C ATOM 994 O3' G B 2 1.294 9.547 4.498 1.00 0.00 O ATOM 995 C2' G B 2 1.159 7.369 3.398 1.00 0.00 C ATOM 996 O2' G B 2 -0.129 7.799 3.010 1.00 0.00 O ATOM 997 C1' G B 2 1.887 6.836 2.170 1.00 0.00 C ATOM 998 N9 G B 2 2.607 5.595 2.503 1.00 0.00 N ATOM 999 C8 G B 2 3.525 5.360 3.498 1.00 0.00 C ATOM 1000 N7 G B 2 3.891 4.117 3.580 1.00 0.00 N ATOM 1001 C5 G B 2 3.234 3.495 2.533 1.00 0.00 C ATOM 1002 C6 G B 2 3.304 2.144 2.103 1.00 0.00 C ATOM 1003 O6 G B 2 3.935 1.215 2.588 1.00 0.00 O ATOM 1004 N1 G B 2 2.535 1.913 0.983 1.00 0.00 N ATOM 1005 C2 G B 2 1.769 2.866 0.354 1.00 0.00 C ATOM 1006 N2 G B 2 1.083 2.477 -0.718 1.00 0.00 N ATOM 1007 N3 G B 2 1.684 4.142 0.762 1.00 0.00 N ATOM 1008 C4 G B 2 2.453 4.393 1.854 1.00 0.00 C ATOM 0 H5' G B 2 4.818 9.549 2.049 1.00 0.00 H new ATOM 0 H5'' G B 2 4.226 10.305 3.515 1.00 0.00 H new ATOM 0 H4' G B 2 2.384 9.765 2.156 1.00 0.00 H new ATOM 0 H3' G B 2 2.736 8.233 4.690 1.00 0.00 H new ATOM 0 H2' G B 2 1.002 6.639 4.192 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.054 8.617 2.475 1.00 0.00 H new ATOM 0 H1' G B 2 1.157 6.635 1.386 1.00 0.00 H new ATOM 0 H8 G B 2 3.905 6.134 4.148 1.00 0.00 H new ATOM 0 H1 G B 2 2.534 0.970 0.594 1.00 0.00 H new ATOM 0 H21 G B 2 0.499 3.146 -1.220 1.00 0.00 H new ATOM 0 H22 G B 2 1.141 1.510 -1.037 1.00 0.00 H new ATOM 1020 P G B 3 0.760 10.847 3.706 1.00 0.00 P ATOM 1021 OP1 G B 3 1.914 11.688 3.324 1.00 0.00 O ATOM 1022 OP2 G B 3 -0.341 11.435 4.505 1.00 0.00 O ATOM 1023 O5' G B 3 0.120 10.238 2.365 1.00 0.00 O ATOM 1024 C5' G B 3 -0.692 11.025 1.531 1.00 0.00 C ATOM 1025 C4' G B 3 -0.890 10.316 0.194 1.00 0.00 C ATOM 1026 O4' G B 3 -1.751 9.194 0.351 1.00 0.00 O ATOM 1027 C3' G B 3 -1.547 11.299 -0.774 1.00 0.00 C ATOM 1028 O3' G B 3 -0.842 11.338 -2.003 1.00 0.00 O ATOM 1029 C2' G B 3 -2.950 10.732 -0.946 1.00 0.00 C ATOM 1030 O2' G B 3 -3.471 10.952 -2.240 1.00 0.00 O ATOM 1031 C1' G B 3 -2.717 9.253 -0.675 1.00 0.00 C ATOM 1032 N9 G B 3 -3.978 8.566 -0.323 1.00 0.00 N ATOM 1033 C8 G B 3 -4.605 7.557 -1.004 1.00 0.00 C ATOM 1034 N7 G B 3 -5.748 7.197 -0.489 1.00 0.00 N ATOM 1035 C5 G B 3 -5.886 8.024 0.621 1.00 0.00 C ATOM 1036 C6 G B 3 -6.941 8.106 1.578 1.00 0.00 C ATOM 1037 O6 G B 3 -7.994 7.471 1.606 1.00 0.00 O ATOM 1038 N1 G B 3 -6.676 9.043 2.563 1.00 0.00 N ATOM 1039 C2 G B 3 -5.546 9.824 2.622 1.00 0.00 C ATOM 1040 N2 G B 3 -5.439 10.650 3.659 1.00 0.00 N ATOM 1041 N3 G B 3 -4.573 9.789 1.705 1.00 0.00 N ATOM 1042 C4 G B 3 -4.800 8.862 0.736 1.00 0.00 C ATOM 0 H5' G B 3 -0.231 12.000 1.373 1.00 0.00 H new ATOM 0 H5'' G B 3 -1.657 11.202 2.007 1.00 0.00 H new ATOM 0 H4' G B 3 0.075 9.976 -0.182 1.00 0.00 H new ATOM 0 H3' G B 3 -1.553 12.328 -0.413 1.00 0.00 H new ATOM 0 H2' G B 3 -3.688 11.196 -0.292 1.00 0.00 H new ATOM 0 HO2' G B 3 -3.238 11.857 -2.537 1.00 0.00 H new ATOM 0 H1' G B 3 -2.356 8.730 -1.560 1.00 0.00 H new ATOM 0 H8 G B 3 -4.190 7.099 -1.890 1.00 0.00 H new ATOM 0 H1 G B 3 -7.371 9.163 3.300 1.00 0.00 H new ATOM 0 H21 G B 3 -4.620 11.251 3.750 1.00 0.00 H new ATOM 0 H22 G B 3 -6.176 10.682 4.363 1.00 0.00 H new ATOM 1054 P A B 4 -0.891 12.657 -2.913 1.00 0.00 P ATOM 1055 OP1 A B 4 0.361 13.412 -2.694 1.00 0.00 O ATOM 1056 OP2 A B 4 -2.185 13.325 -2.660 1.00 0.00 O ATOM 1057 O5' A B 4 -0.911 12.134 -4.432 1.00 0.00 O ATOM 1058 C5' A B 4 0.269 11.669 -5.053 1.00 0.00 C ATOM 1059 C4' A B 4 0.096 11.612 -6.576 1.00 0.00 C ATOM 1060 O4' A B 4 -0.708 10.509 -6.968 1.00 0.00 O ATOM 1061 C3' A B 4 -0.574 12.890 -7.083 1.00 0.00 C ATOM 1062 O3' A B 4 0.000 13.274 -8.319 1.00 0.00 O ATOM 1063 C2' A B 4 -2.038 12.472 -7.202 1.00 0.00 C ATOM 1064 O2' A B 4 -2.734 13.090 -8.259 1.00 0.00 O ATOM 1065 C1' A B 4 -1.959 10.972 -7.444 1.00 0.00 C ATOM 1066 N9 A B 4 -3.070 10.306 -6.742 1.00 0.00 N ATOM 1067 C8 A B 4 -3.188 10.055 -5.401 1.00 0.00 C ATOM 1068 N7 A B 4 -4.287 9.427 -5.073 1.00 0.00 N ATOM 1069 C5 A B 4 -4.951 9.277 -6.289 1.00 0.00 C ATOM 1070 C6 A B 4 -6.182 8.697 -6.649 1.00 0.00 C ATOM 1071 N6 A B 4 -7.001 8.097 -5.783 1.00 0.00 N ATOM 1072 N1 A B 4 -6.562 8.744 -7.935 1.00 0.00 N ATOM 1073 C2 A B 4 -5.762 9.332 -8.815 1.00 0.00 C ATOM 1074 N3 A B 4 -4.576 9.895 -8.620 1.00 0.00 N ATOM 1075 C4 A B 4 -4.223 9.826 -7.311 1.00 0.00 C ATOM 0 H5' A B 4 0.519 10.678 -4.673 1.00 0.00 H new ATOM 0 H5'' A B 4 1.101 12.326 -4.801 1.00 0.00 H new ATOM 0 H4' A B 4 1.092 11.505 -7.006 1.00 0.00 H new ATOM 0 H3' A B 4 -0.454 13.761 -6.439 1.00 0.00 H new ATOM 0 H2' A B 4 -2.592 12.765 -6.310 1.00 0.00 H new ATOM 0 HO2' A B 4 -3.661 12.771 -8.271 1.00 0.00 H new ATOM 0 H1' A B 4 -2.044 10.746 -8.507 1.00 0.00 H new ATOM 0 H8 A B 4 -2.441 10.349 -4.679 1.00 0.00 H new ATOM 0 H61 A B 4 -7.881 7.695 -6.107 1.00 0.00 H new ATOM 0 H62 A B 4 -6.747 8.040 -4.797 1.00 0.00 H new ATOM 0 H2 A B 4 -6.127 9.356 -9.831 1.00 0.00 H new ATOM 1087 P G B 5 -0.227 14.743 -8.928 1.00 0.00 P ATOM 1088 OP1 G B 5 -0.390 15.697 -7.808 1.00 0.00 O ATOM 1089 OP2 G B 5 -1.280 14.660 -9.959 1.00 0.00 O ATOM 1090 O5' G B 5 1.159 15.062 -9.666 1.00 0.00 O ATOM 1091 C5' G B 5 2.350 15.249 -8.934 1.00 0.00 C ATOM 1092 C4' G B 5 3.351 14.136 -9.248 1.00 0.00 C ATOM 1093 O4' G B 5 2.787 12.897 -8.877 1.00 0.00 O ATOM 1094 C3' G B 5 3.701 14.085 -10.732 1.00 0.00 C ATOM 1095 O3' G B 5 5.110 14.031 -10.856 1.00 0.00 O ATOM 1096 C2' G B 5 3.019 12.805 -11.212 1.00 0.00 C ATOM 1097 O2' G B 5 3.769 12.123 -12.193 1.00 0.00 O ATOM 1098 C1' G B 5 2.937 11.975 -9.938 1.00 0.00 C ATOM 1099 N9 G B 5 1.782 11.052 -9.962 1.00 0.00 N ATOM 1100 C8 G B 5 0.485 11.299 -10.327 1.00 0.00 C ATOM 1101 N7 G B 5 -0.319 10.279 -10.184 1.00 0.00 N ATOM 1102 C5 G B 5 0.516 9.271 -9.706 1.00 0.00 C ATOM 1103 C6 G B 5 0.222 7.926 -9.323 1.00 0.00 C ATOM 1104 O6 G B 5 -0.857 7.338 -9.324 1.00 0.00 O ATOM 1105 N1 G B 5 1.355 7.246 -8.907 1.00 0.00 N ATOM 1106 C2 G B 5 2.621 7.772 -8.897 1.00 0.00 C ATOM 1107 N2 G B 5 3.589 6.953 -8.509 1.00 0.00 N ATOM 1108 N3 G B 5 2.912 9.024 -9.252 1.00 0.00 N ATOM 1109 C4 G B 5 1.811 9.721 -9.631 1.00 0.00 C ATOM 0 H5' G B 5 2.130 15.258 -7.866 1.00 0.00 H new ATOM 0 H5'' G B 5 2.786 16.218 -9.178 1.00 0.00 H new ATOM 0 H4' G B 5 4.264 14.340 -8.689 1.00 0.00 H new ATOM 0 H3' G B 5 3.374 14.946 -11.315 1.00 0.00 H new ATOM 0 H2' G B 5 2.058 13.003 -11.686 1.00 0.00 H new ATOM 0 HO2' G B 5 4.038 12.752 -12.895 1.00 0.00 H new ATOM 0 H1' G B 5 3.831 11.360 -9.828 1.00 0.00 H new ATOM 0 H8 G B 5 0.155 12.257 -10.702 1.00 0.00 H new ATOM 0 H1 G B 5 1.239 6.285 -8.585 1.00 0.00 H new ATOM 0 H21 G B 5 4.554 7.282 -8.479 1.00 0.00 H new ATOM 0 H22 G B 5 3.369 5.994 -8.241 1.00 0.00 H new ATOM 1121 P A B 6 5.840 14.587 -12.172 1.00 0.00 P ATOM 1122 OP1 A B 6 5.104 14.108 -13.362 1.00 0.00 O ATOM 1123 OP2 A B 6 7.293 14.336 -12.045 1.00 0.00 O ATOM 1124 O5' A B 6 5.588 16.168 -12.029 1.00 0.00 O ATOM 1125 C5' A B 6 6.555 17.001 -11.437 1.00 0.00 C ATOM 1126 C4' A B 6 5.903 18.276 -10.916 1.00 0.00 C ATOM 1127 O4' A B 6 5.279 17.975 -9.678 1.00 0.00 O ATOM 1128 C3' A B 6 6.957 19.352 -10.659 1.00 0.00 C ATOM 1129 O3' A B 6 6.365 20.625 -10.820 1.00 0.00 O ATOM 1130 C2' A B 6 7.305 19.088 -9.212 1.00 0.00 C ATOM 1131 O2' A B 6 7.821 20.222 -8.548 1.00 0.00 O ATOM 1132 C1' A B 6 5.951 18.680 -8.657 1.00 0.00 C ATOM 1133 N9 A B 6 6.152 17.865 -7.447 1.00 0.00 N ATOM 1134 C8 A B 6 6.002 16.511 -7.293 1.00 0.00 C ATOM 1135 N7 A B 6 6.240 16.085 -6.080 1.00 0.00 N ATOM 1136 C5 A B 6 6.591 17.246 -5.388 1.00 0.00 C ATOM 1137 C6 A B 6 6.971 17.506 -4.059 1.00 0.00 C ATOM 1138 N6 A B 6 7.051 16.574 -3.112 1.00 0.00 N ATOM 1139 N1 A B 6 7.283 18.762 -3.713 1.00 0.00 N ATOM 1140 C2 A B 6 7.210 19.714 -4.629 1.00 0.00 C ATOM 1141 N3 A B 6 6.859 19.616 -5.905 1.00 0.00 N ATOM 1142 C4 A B 6 6.554 18.334 -6.220 1.00 0.00 C ATOM 0 H5' A B 6 7.326 17.250 -12.166 1.00 0.00 H new ATOM 0 H5'' A B 6 7.047 16.475 -10.619 1.00 0.00 H new ATOM 0 H4' A B 6 5.188 18.640 -11.654 1.00 0.00 H new ATOM 0 H3' A B 6 7.821 19.330 -11.323 1.00 0.00 H new ATOM 0 H2' A B 6 8.094 18.347 -9.085 1.00 0.00 H new ATOM 0 HO2' A B 6 7.475 20.250 -7.632 1.00 0.00 H new ATOM 0 H1' A B 6 5.347 19.539 -8.364 1.00 0.00 H new ATOM 0 H8 A B 6 5.713 15.855 -8.101 1.00 0.00 H new ATOM 0 H61 A B 6 7.334 16.831 -2.166 1.00 0.00 H new ATOM 0 H62 A B 6 6.830 15.603 -3.332 1.00 0.00 H new ATOM 0 H2 A B 6 7.472 20.706 -4.292 1.00 0.00 H new ATOM 1154 P U B 7 7.105 21.802 -11.615 1.00 0.00 P ATOM 1155 OP1 U B 7 6.140 22.920 -11.741 1.00 0.00 O ATOM 1156 OP2 U B 7 7.713 21.227 -12.834 1.00 0.00 O ATOM 1157 O5' U B 7 8.276 22.303 -10.637 1.00 0.00 O ATOM 1158 C5' U B 7 9.578 21.765 -10.691 1.00 0.00 C ATOM 1159 C4' U B 7 10.448 22.525 -9.688 1.00 0.00 C ATOM 1160 O4' U B 7 10.231 22.016 -8.383 1.00 0.00 O ATOM 1161 C3' U B 7 11.936 22.339 -9.980 1.00 0.00 C ATOM 1162 O3' U B 7 12.652 23.409 -9.390 1.00 0.00 O ATOM 1163 C2' U B 7 12.217 21.031 -9.257 1.00 0.00 C ATOM 1164 O2' U B 7 13.584 20.909 -8.902 1.00 0.00 O ATOM 1165 C1' U B 7 11.311 21.163 -8.030 1.00 0.00 C ATOM 1166 N1 U B 7 10.820 19.868 -7.488 1.00 0.00 N ATOM 1167 C2 U B 7 10.610 19.800 -6.115 1.00 0.00 C ATOM 1168 O2 U B 7 10.799 20.759 -5.369 1.00 0.00 O ATOM 1169 N3 U B 7 10.169 18.582 -5.622 1.00 0.00 N ATOM 1170 C4 U B 7 9.905 17.450 -6.371 1.00 0.00 C ATOM 1171 O4 U B 7 9.487 16.426 -5.835 1.00 0.00 O ATOM 1172 C5 U B 7 10.158 17.606 -7.783 1.00 0.00 C ATOM 1173 C6 U B 7 10.586 18.781 -8.292 1.00 0.00 C ATOM 0 H5' U B 7 9.987 21.858 -11.697 1.00 0.00 H new ATOM 0 H5'' U B 7 9.561 20.702 -10.451 1.00 0.00 H new ATOM 0 H4' U B 7 10.176 23.578 -9.768 1.00 0.00 H new ATOM 0 H3' U B 7 12.212 22.322 -11.034 1.00 0.00 H new ATOM 0 H2' U B 7 12.023 20.140 -9.854 1.00 0.00 H new ATOM 0 HO2' U B 7 13.717 20.082 -8.393 1.00 0.00 H new ATOM 0 HO3' U B 7 13.474 23.066 -8.982 1.00 0.00 H new ATOM 0 H1' U B 7 11.902 21.586 -7.217 1.00 0.00 H new ATOM 0 H3 U B 7 10.026 18.514 -4.614 1.00 0.00 H new ATOM 0 H5 U B 7 10.002 16.767 -8.445 1.00 0.00 H new ATOM 0 H6 U B 7 10.748 18.867 -9.356 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -3.329 1.021 -11.198 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.947 -4.002 6.316 1.00 0.00 ZN