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 159 LYS NZ :NH3+ 151:sc= 1.47 (180deg=0.771) USER MOD Set 1.2: B 2 G O2' : rot 9:sc= 0.506 USER MOD Set 2.1: A 128 SER OG : rot 179:sc= 0.821 USER MOD Set 2.2: A 130 GLN : amide:sc= 0.896 K(o=1.7,f=1) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -172:sc= -0.002 (180deg=-0.122) USER MOD Single : A 131 LYS NZ :NH3+ 170:sc= 1.07 (180deg=0.98) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.0876 K(o=-0.088,f=-0.95) USER MOD Single : A 148 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 150 LYS NZ :NH3+ 166:sc= 0.748 (180deg=0.656) USER MOD Single : A 153 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0552) USER MOD Single : A 157 GLN : amide:sc= 0.31 X(o=0.31,f=-0.015) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -0.826 X(o=-0.83,f=-1.1) USER MOD Single : A 165 GLN : amide:sc= -0.75 X(o=-0.75,f=-0.75) USER MOD Single : A 166 SER OG : rot 112:sc= 1.43 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl 178:sc= -2.16 (180deg=-2.25) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ -114:sc= 0.113 (180deg=-0.0694) USER MOD Single : A 179 GLN : amide:sc= -0.889 X(o=-0.89,f=-0.65) USER MOD Single : A 180 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 183 SER OG : rot 180:sc= -0.0483 USER MOD Single : A 185 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 A O2' : rot 66:sc= -0.614 USER MOD Single : B 1 A O5' : rot -48:sc= 0.826 USER MOD Single : B 3 G O2' : rot -55:sc= 1.16 USER MOD Single : B 4 A O2' : rot 15:sc= 0.229 USER MOD Single : B 5 G O2' : rot 29:sc= 0.242 USER MOD Single : B 6 A O2' : rot 174:sc= -0.733 USER MOD Single : B 7 U O2' : rot -166:sc= 0.773 USER MOD Single : B 7 U O3' : rot 136:sc= 0.158 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 11.792 -10.064 0.425 1.00 0.00 N ATOM 2 CA PRO A 124 12.185 -9.787 -0.964 1.00 0.00 C ATOM 3 C PRO A 124 11.545 -8.514 -1.515 1.00 0.00 C ATOM 4 O PRO A 124 10.381 -8.239 -1.241 1.00 0.00 O ATOM 5 CB PRO A 124 11.823 -11.033 -1.775 1.00 0.00 C ATOM 6 CG PRO A 124 11.925 -12.169 -0.746 1.00 0.00 C ATOM 7 CD PRO A 124 12.219 -11.459 0.575 1.00 0.00 C ATOM 0 HA PRO A 124 13.255 -9.590 -1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 124 10.820 -10.961 -2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 124 12.509 -11.183 -2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 124 10.999 -12.741 -0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 124 12.718 -12.870 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 124 11.685 -11.938 1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 124 13.282 -11.512 0.812 1.00 0.00 H new ATOM 15 N LYS A 125 12.323 -7.749 -2.289 1.00 0.00 N ATOM 16 CA LYS A 125 11.926 -6.480 -2.888 1.00 0.00 C ATOM 17 C LYS A 125 11.280 -5.500 -1.906 1.00 0.00 C ATOM 18 O LYS A 125 10.656 -4.533 -2.336 1.00 0.00 O ATOM 19 CB LYS A 125 11.009 -6.742 -4.089 1.00 0.00 C ATOM 20 CG LYS A 125 11.705 -7.619 -5.133 1.00 0.00 C ATOM 21 CD LYS A 125 10.814 -7.840 -6.355 1.00 0.00 C ATOM 22 CE LYS A 125 10.565 -6.518 -7.085 1.00 0.00 C ATOM 23 NZ LYS A 125 9.744 -6.722 -8.292 1.00 0.00 N ATOM 0 H LYS A 125 13.281 -8.011 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 125 12.842 -5.989 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 125 10.094 -7.229 -3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 125 10.718 -5.794 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.639 -7.149 -5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.963 -8.581 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 125 11.286 -8.552 -7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 125 9.864 -8.275 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.064 -5.819 -6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 125 11.518 -6.067 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 9.591 -5.809 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 10.234 -7.371 -8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 8.826 -7.130 -8.023 1.00 0.00 H new ATOM 37 N GLY A 126 11.415 -5.729 -0.597 1.00 0.00 N ATOM 38 CA GLY A 126 10.780 -4.884 0.399 1.00 0.00 C ATOM 39 C GLY A 126 11.621 -3.658 0.710 1.00 0.00 C ATOM 40 O GLY A 126 11.096 -2.552 0.832 1.00 0.00 O ATOM 0 H GLY A 126 11.962 -6.497 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.799 -4.572 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.618 -5.456 1.313 1.00 0.00 H new ATOM 44 N LYS A 127 12.936 -3.857 0.842 1.00 0.00 N ATOM 45 CA LYS A 127 13.866 -2.804 1.214 1.00 0.00 C ATOM 46 C LYS A 127 14.040 -1.802 0.080 1.00 0.00 C ATOM 47 O LYS A 127 13.887 -2.146 -1.092 1.00 0.00 O ATOM 48 CB LYS A 127 15.192 -3.455 1.614 1.00 0.00 C ATOM 49 CG LYS A 127 14.945 -4.386 2.809 1.00 0.00 C ATOM 50 CD LYS A 127 16.151 -5.271 3.111 1.00 0.00 C ATOM 51 CE LYS A 127 17.356 -4.429 3.524 1.00 0.00 C ATOM 52 NZ LYS A 127 18.492 -5.275 3.922 1.00 0.00 N ATOM 0 H LYS A 127 13.381 -4.762 0.691 1.00 0.00 H new ATOM 0 HA LYS A 127 13.475 -2.240 2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 127 15.604 -4.017 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 127 15.924 -2.691 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 127 14.706 -3.789 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 127 14.078 -5.014 2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 127 15.902 -5.972 3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 127 16.401 -5.864 2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 127 17.653 -3.785 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 127 17.079 -3.776 4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.294 -4.673 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 18.215 -5.871 4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 18.771 -5.880 3.123 1.00 0.00 H new ATOM 66 N SER A 128 14.360 -0.556 0.432 1.00 0.00 N ATOM 67 CA SER A 128 14.507 0.526 -0.534 1.00 0.00 C ATOM 68 C SER A 128 15.204 1.723 0.119 1.00 0.00 C ATOM 69 O SER A 128 15.535 1.678 1.301 1.00 0.00 O ATOM 70 CB SER A 128 13.118 0.930 -1.033 1.00 0.00 C ATOM 71 OG SER A 128 13.230 1.779 -2.158 1.00 0.00 O ATOM 0 H SER A 128 14.524 -0.271 1.398 1.00 0.00 H new ATOM 0 HA SER A 128 15.116 0.192 -1.374 1.00 0.00 H new ATOM 0 HB2 SER A 128 12.545 0.041 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 128 12.572 1.438 -0.238 1.00 0.00 H new ATOM 0 HG SER A 128 12.335 2.011 -2.483 1.00 0.00 H new ATOM 77 N MET A 129 15.427 2.794 -0.645 1.00 0.00 N ATOM 78 CA MET A 129 16.025 4.023 -0.133 1.00 0.00 C ATOM 79 C MET A 129 15.228 5.233 -0.604 1.00 0.00 C ATOM 80 O MET A 129 15.743 6.348 -0.688 1.00 0.00 O ATOM 81 CB MET A 129 17.499 4.119 -0.521 1.00 0.00 C ATOM 82 CG MET A 129 18.295 2.944 0.043 1.00 0.00 C ATOM 83 SD MET A 129 20.089 3.080 -0.179 1.00 0.00 S ATOM 84 CE MET A 129 20.199 3.029 -1.987 1.00 0.00 C ATOM 0 H MET A 129 15.197 2.831 -1.638 1.00 0.00 H new ATOM 0 HA MET A 129 15.987 4.005 0.956 1.00 0.00 H new ATOM 0 HB2 MET A 129 17.592 4.137 -1.607 1.00 0.00 H new ATOM 0 HB3 MET A 129 17.915 5.056 -0.150 1.00 0.00 H new ATOM 0 HG2 MET A 129 18.079 2.852 1.107 1.00 0.00 H new ATOM 0 HG3 MET A 129 17.951 2.026 -0.433 1.00 0.00 H new ATOM 0 HE1 MET A 129 21.245 2.959 -2.286 1.00 0.00 H new ATOM 0 HE2 MET A 129 19.656 2.161 -2.360 1.00 0.00 H new ATOM 0 HE3 MET A 129 19.762 3.937 -2.404 1.00 0.00 H new ATOM 94 N GLN A 130 13.957 4.993 -0.912 1.00 0.00 N ATOM 95 CA GLN A 130 13.035 6.011 -1.386 1.00 0.00 C ATOM 96 C GLN A 130 12.588 6.923 -0.248 1.00 0.00 C ATOM 97 O GLN A 130 12.799 6.621 0.926 1.00 0.00 O ATOM 98 CB GLN A 130 11.814 5.327 -1.993 1.00 0.00 C ATOM 99 CG GLN A 130 12.172 4.705 -3.341 1.00 0.00 C ATOM 100 CD GLN A 130 11.023 3.855 -3.856 1.00 0.00 C ATOM 101 OE1 GLN A 130 10.891 2.693 -3.481 1.00 0.00 O ATOM 102 NE2 GLN A 130 10.186 4.424 -4.716 1.00 0.00 N ATOM 0 H GLN A 130 13.535 4.068 -0.837 1.00 0.00 H new ATOM 0 HA GLN A 130 13.543 6.621 -2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 130 11.446 4.557 -1.315 1.00 0.00 H new ATOM 0 HB3 GLN A 130 11.009 6.051 -2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 130 12.402 5.490 -4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 130 13.068 4.093 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 130 10.330 5.392 -5.003 1.00 0.00 H new ATOM 0 HE22 GLN A 130 9.399 3.893 -5.089 1.00 0.00 H new ATOM 111 N LYS A 131 11.965 8.044 -0.615 1.00 0.00 N ATOM 112 CA LYS A 131 11.445 9.037 0.317 1.00 0.00 C ATOM 113 C LYS A 131 9.949 9.220 0.067 1.00 0.00 C ATOM 114 O LYS A 131 9.370 8.533 -0.774 1.00 0.00 O ATOM 115 CB LYS A 131 12.203 10.358 0.158 1.00 0.00 C ATOM 116 CG LYS A 131 13.516 10.418 0.951 1.00 0.00 C ATOM 117 CD LYS A 131 14.633 9.522 0.408 1.00 0.00 C ATOM 118 CE LYS A 131 14.923 9.810 -1.061 1.00 0.00 C ATOM 119 NZ LYS A 131 16.108 9.067 -1.515 1.00 0.00 N ATOM 0 H LYS A 131 11.806 8.289 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 131 11.589 8.696 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.420 10.517 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.558 11.177 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 131 13.870 11.449 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 131 13.314 10.137 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 131 15.539 9.674 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.350 8.476 0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 131 14.061 9.534 -1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 131 15.082 10.879 -1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 16.189 9.141 -2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 16.959 9.467 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 16.015 8.067 -1.246 1.00 0.00 H new ATOM 133 N ARG A 132 9.334 10.149 0.808 1.00 0.00 N ATOM 134 CA ARG A 132 7.901 10.434 0.801 1.00 0.00 C ATOM 135 C ARG A 132 7.264 10.280 -0.573 1.00 0.00 C ATOM 136 O ARG A 132 6.305 9.528 -0.737 1.00 0.00 O ATOM 137 CB ARG A 132 7.715 11.819 1.401 1.00 0.00 C ATOM 138 CG ARG A 132 6.246 12.206 1.563 1.00 0.00 C ATOM 139 CD ARG A 132 6.216 13.407 2.509 1.00 0.00 C ATOM 140 NE ARG A 132 4.849 13.849 2.790 1.00 0.00 N ATOM 141 CZ ARG A 132 3.975 13.172 3.538 1.00 0.00 C ATOM 142 NH1 ARG A 132 4.311 12.005 4.083 1.00 0.00 N ATOM 143 NH2 ARG A 132 2.761 13.670 3.738 1.00 0.00 N ATOM 0 H ARG A 132 9.847 10.747 1.456 1.00 0.00 H new ATOM 0 HA ARG A 132 7.373 9.696 1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 132 8.204 11.856 2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 132 8.211 12.554 0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 132 5.803 12.459 0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 132 5.669 11.376 1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 132 6.712 13.145 3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 132 6.780 14.229 2.069 1.00 0.00 H new ATOM 0 HE ARG A 132 4.544 14.735 2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 132 5.243 11.621 3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 132 3.636 11.495 4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 132 2.502 14.564 3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 132 2.088 13.159 4.308 1.00 0.00 H new ATOM 157 N ARG A 133 7.817 11.004 -1.543 1.00 0.00 N ATOM 158 CA ARG A 133 7.466 10.929 -2.955 1.00 0.00 C ATOM 159 C ARG A 133 8.413 11.803 -3.772 1.00 0.00 C ATOM 160 O ARG A 133 8.472 13.014 -3.574 1.00 0.00 O ATOM 161 CB ARG A 133 6.003 11.320 -3.185 1.00 0.00 C ATOM 162 CG ARG A 133 5.646 12.723 -2.678 1.00 0.00 C ATOM 163 CD ARG A 133 4.147 12.896 -2.906 1.00 0.00 C ATOM 164 NE ARG A 133 3.691 14.217 -2.463 1.00 0.00 N ATOM 165 CZ ARG A 133 2.463 14.681 -2.676 1.00 0.00 C ATOM 166 NH1 ARG A 133 1.549 13.933 -3.291 1.00 0.00 N ATOM 167 NH2 ARG A 133 2.131 15.902 -2.274 1.00 0.00 N ATOM 0 H ARG A 133 8.552 11.686 -1.357 1.00 0.00 H new ATOM 0 HA ARG A 133 7.576 9.897 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 133 5.786 11.264 -4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 133 5.361 10.592 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 133 5.893 12.828 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 133 6.211 13.485 -3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.920 12.766 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 133 3.603 12.121 -2.366 1.00 0.00 H new ATOM 0 HE ARG A 133 4.352 14.813 -1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.787 12.992 -3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.611 14.301 -3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.819 16.488 -1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.188 16.255 -2.439 1.00 0.00 H new ATOM 181 N SER A 134 9.158 11.188 -4.693 1.00 0.00 N ATOM 182 CA SER A 134 10.097 11.919 -5.533 1.00 0.00 C ATOM 183 C SER A 134 10.612 11.071 -6.693 1.00 0.00 C ATOM 184 O SER A 134 11.017 11.632 -7.710 1.00 0.00 O ATOM 185 CB SER A 134 11.283 12.408 -4.698 1.00 0.00 C ATOM 186 OG SER A 134 11.958 11.319 -4.104 1.00 0.00 O ATOM 0 H SER A 134 9.126 10.184 -4.873 1.00 0.00 H new ATOM 0 HA SER A 134 9.558 12.770 -5.951 1.00 0.00 H new ATOM 0 HB2 SER A 134 11.972 12.969 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 134 10.932 13.091 -3.924 1.00 0.00 H new ATOM 0 HG SER A 134 12.714 11.651 -3.576 1.00 0.00 H new ATOM 192 N LYS A 135 10.605 9.739 -6.554 1.00 0.00 N ATOM 193 CA LYS A 135 11.040 8.834 -7.613 1.00 0.00 C ATOM 194 C LYS A 135 10.709 7.388 -7.259 1.00 0.00 C ATOM 195 O LYS A 135 10.806 6.982 -6.101 1.00 0.00 O ATOM 196 CB LYS A 135 12.554 8.980 -7.799 1.00 0.00 C ATOM 197 CG LYS A 135 13.043 8.154 -8.986 1.00 0.00 C ATOM 198 CD LYS A 135 14.521 8.409 -9.260 1.00 0.00 C ATOM 199 CE LYS A 135 15.374 8.036 -8.047 1.00 0.00 C ATOM 200 NZ LYS A 135 16.802 8.232 -8.335 1.00 0.00 N ATOM 0 H LYS A 135 10.298 9.265 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 135 10.519 9.091 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 135 12.805 10.029 -7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 135 13.068 8.660 -6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 135 12.885 7.094 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 135 12.458 8.402 -9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 135 14.840 7.829 -10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 135 14.673 9.460 -9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 135 15.084 8.645 -7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 135 15.192 6.996 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 17.364 7.973 -7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 17.080 7.632 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 16.975 9.230 -8.572 1.00 0.00 H new ATOM 214 N GLY A 136 10.317 6.601 -8.265 1.00 0.00 N ATOM 215 CA GLY A 136 10.040 5.185 -8.098 1.00 0.00 C ATOM 216 C GLY A 136 8.733 4.897 -7.362 1.00 0.00 C ATOM 217 O GLY A 136 8.429 3.736 -7.087 1.00 0.00 O ATOM 0 H GLY A 136 10.185 6.936 -9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.005 4.712 -9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.863 4.725 -7.552 1.00 0.00 H new ATOM 221 N ASP A 137 7.950 5.931 -7.038 1.00 0.00 N ATOM 222 CA ASP A 137 6.652 5.756 -6.411 1.00 0.00 C ATOM 223 C ASP A 137 5.678 5.111 -7.401 1.00 0.00 C ATOM 224 O ASP A 137 5.976 5.009 -8.593 1.00 0.00 O ATOM 225 CB ASP A 137 6.133 7.105 -5.925 1.00 0.00 C ATOM 226 CG ASP A 137 7.150 7.800 -5.029 1.00 0.00 C ATOM 227 OD1 ASP A 137 7.115 7.533 -3.805 1.00 0.00 O ATOM 228 OD2 ASP A 137 7.958 8.590 -5.569 1.00 0.00 O ATOM 0 H ASP A 137 8.203 6.905 -7.205 1.00 0.00 H new ATOM 0 HA ASP A 137 6.746 5.094 -5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.906 7.740 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.201 6.963 -5.378 1.00 0.00 H new ATOM 233 N ARG A 138 4.507 4.677 -6.921 1.00 0.00 N ATOM 234 CA ARG A 138 3.576 3.902 -7.728 1.00 0.00 C ATOM 235 C ARG A 138 2.142 4.399 -7.573 1.00 0.00 C ATOM 236 O ARG A 138 1.841 5.151 -6.653 1.00 0.00 O ATOM 237 CB ARG A 138 3.675 2.432 -7.302 1.00 0.00 C ATOM 238 CG ARG A 138 5.030 1.844 -7.699 1.00 0.00 C ATOM 239 CD ARG A 138 5.112 0.376 -7.283 1.00 0.00 C ATOM 240 NE ARG A 138 6.499 -0.105 -7.254 1.00 0.00 N ATOM 241 CZ ARG A 138 7.323 0.018 -6.208 1.00 0.00 C ATOM 242 NH1 ARG A 138 6.916 0.600 -5.082 1.00 0.00 N ATOM 243 NH2 ARG A 138 8.562 -0.449 -6.290 1.00 0.00 N ATOM 0 H ARG A 138 4.186 4.855 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 138 3.841 4.015 -8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.540 2.351 -6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.874 1.858 -7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.171 1.932 -8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.833 2.409 -7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.663 0.252 -6.297 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.531 -0.232 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 138 6.859 -0.565 -8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 138 5.964 0.959 -5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.556 0.687 -4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.882 -0.899 -7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.195 -0.358 -5.495 1.00 0.00 H new ATOM 257 N CYS A 139 1.268 3.960 -8.488 1.00 0.00 N ATOM 258 CA CYS A 139 -0.159 4.231 -8.505 1.00 0.00 C ATOM 259 C CYS A 139 -0.754 3.990 -7.120 1.00 0.00 C ATOM 260 O CYS A 139 -0.687 2.884 -6.593 1.00 0.00 O ATOM 261 CB CYS A 139 -0.789 3.340 -9.586 1.00 0.00 C ATOM 262 SG CYS A 139 -2.594 3.290 -9.452 1.00 0.00 S ATOM 0 H CYS A 139 1.561 3.377 -9.272 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.365 5.274 -8.748 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.508 3.711 -10.572 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.390 2.329 -9.501 1.00 0.00 H new ATOM 267 N TYR A 140 -1.338 5.041 -6.534 1.00 0.00 N ATOM 268 CA TYR A 140 -1.969 4.986 -5.226 1.00 0.00 C ATOM 269 C TYR A 140 -3.292 4.211 -5.272 1.00 0.00 C ATOM 270 O TYR A 140 -3.980 4.117 -4.257 1.00 0.00 O ATOM 271 CB TYR A 140 -2.210 6.404 -4.716 1.00 0.00 C ATOM 272 CG TYR A 140 -0.983 7.195 -4.309 1.00 0.00 C ATOM 273 CD1 TYR A 140 0.304 6.637 -4.351 1.00 0.00 C ATOM 274 CD2 TYR A 140 -1.148 8.518 -3.871 1.00 0.00 C ATOM 275 CE1 TYR A 140 1.422 7.390 -3.949 1.00 0.00 C ATOM 276 CE2 TYR A 140 -0.039 9.278 -3.472 1.00 0.00 C ATOM 277 CZ TYR A 140 1.251 8.714 -3.502 1.00 0.00 C ATOM 278 OH TYR A 140 2.326 9.455 -3.111 1.00 0.00 O ATOM 0 H TYR A 140 -1.382 5.963 -6.967 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.300 4.459 -4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.733 6.962 -5.493 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.880 6.348 -3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 140 0.437 5.622 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -2.136 8.954 -3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 140 2.409 6.954 -3.983 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -0.174 10.297 -3.141 1.00 0.00 H new ATOM 0 HH TYR A 140 2.026 10.346 -2.834 1.00 0.00 H new ATOM 288 N ASN A 141 -3.661 3.655 -6.432 1.00 0.00 N ATOM 289 CA ASN A 141 -4.933 2.960 -6.576 1.00 0.00 C ATOM 290 C ASN A 141 -4.752 1.468 -6.832 1.00 0.00 C ATOM 291 O ASN A 141 -5.621 0.690 -6.456 1.00 0.00 O ATOM 292 CB ASN A 141 -5.728 3.592 -7.724 1.00 0.00 C ATOM 293 CG ASN A 141 -7.124 3.003 -7.844 1.00 0.00 C ATOM 294 OD1 ASN A 141 -8.056 3.499 -7.213 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.294 1.953 -8.647 1.00 0.00 N ATOM 0 H ASN A 141 -3.094 3.676 -7.280 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.476 3.062 -5.637 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.801 4.668 -7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.191 3.444 -8.661 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.219 1.536 -8.753 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.499 1.566 -9.156 1.00 0.00 H new ATOM 302 N CYS A 142 -3.644 1.064 -7.468 1.00 0.00 N ATOM 303 CA CYS A 142 -3.370 -0.340 -7.706 1.00 0.00 C ATOM 304 C CYS A 142 -2.012 -0.749 -7.148 1.00 0.00 C ATOM 305 O CYS A 142 -1.869 -1.810 -6.550 1.00 0.00 O ATOM 306 CB CYS A 142 -3.501 -0.617 -9.191 1.00 0.00 C ATOM 307 SG CYS A 142 -2.086 0.013 -10.110 1.00 0.00 S ATOM 0 H CYS A 142 -2.929 1.698 -7.823 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.099 -0.952 -7.174 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.593 -1.691 -9.355 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.415 -0.157 -9.568 1.00 0.00 H new ATOM 312 N GLY A 143 -1.014 0.116 -7.355 1.00 0.00 N ATOM 313 CA GLY A 143 0.356 -0.145 -6.960 1.00 0.00 C ATOM 314 C GLY A 143 1.246 -0.370 -8.179 1.00 0.00 C ATOM 315 O GLY A 143 2.331 -0.927 -8.050 1.00 0.00 O ATOM 0 H GLY A 143 -1.145 1.022 -7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.736 0.695 -6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 143 0.391 -1.022 -6.314 1.00 0.00 H new ATOM 319 N GLY A 144 0.785 0.059 -9.361 1.00 0.00 N ATOM 320 CA GLY A 144 1.529 -0.042 -10.599 1.00 0.00 C ATOM 321 C GLY A 144 2.516 1.109 -10.751 1.00 0.00 C ATOM 322 O GLY A 144 2.443 2.097 -10.035 1.00 0.00 O ATOM 0 H GLY A 144 -0.132 0.491 -9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.066 -0.990 -10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.837 -0.044 -11.442 1.00 0.00 H new ATOM 326 N LEU A 145 3.453 0.983 -11.689 1.00 0.00 N ATOM 327 CA LEU A 145 4.520 1.957 -11.852 1.00 0.00 C ATOM 328 C LEU A 145 4.442 2.631 -13.211 1.00 0.00 C ATOM 329 O LEU A 145 4.974 3.723 -13.399 1.00 0.00 O ATOM 330 CB LEU A 145 5.897 1.312 -11.697 1.00 0.00 C ATOM 331 CG LEU A 145 5.915 -0.212 -11.858 1.00 0.00 C ATOM 332 CD1 LEU A 145 7.347 -0.668 -12.116 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.443 -0.877 -10.571 1.00 0.00 C ATOM 0 H LEU A 145 3.491 0.208 -12.351 1.00 0.00 H new ATOM 0 HA LEU A 145 4.387 2.703 -11.068 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.572 1.749 -12.433 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.292 1.564 -10.713 1.00 0.00 H new ATOM 0 HG LEU A 145 5.260 -0.486 -12.685 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.369 -1.752 -12.232 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.720 -0.198 -13.026 1.00 0.00 H new ATOM 0 HD13 LEU A 145 7.978 -0.380 -11.275 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.459 -1.960 -10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 145 6.105 -0.595 -9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.427 -0.552 -10.345 1.00 0.00 H new ATOM 345 N ASP A 146 3.777 1.982 -14.163 1.00 0.00 N ATOM 346 CA ASP A 146 3.651 2.491 -15.515 1.00 0.00 C ATOM 347 C ASP A 146 2.600 3.606 -15.601 1.00 0.00 C ATOM 348 O ASP A 146 2.403 4.198 -16.661 1.00 0.00 O ATOM 349 CB ASP A 146 3.288 1.302 -16.404 1.00 0.00 C ATOM 350 CG ASP A 146 3.059 1.702 -17.857 1.00 0.00 C ATOM 351 OD1 ASP A 146 4.046 2.141 -18.487 1.00 0.00 O ATOM 352 OD2 ASP A 146 1.904 1.568 -18.315 1.00 0.00 O ATOM 0 H ASP A 146 3.311 1.087 -14.013 1.00 0.00 H new ATOM 0 HA ASP A 146 4.587 2.942 -15.845 1.00 0.00 H new ATOM 0 HB2 ASP A 146 4.086 0.561 -16.357 1.00 0.00 H new ATOM 0 HB3 ASP A 146 2.388 0.825 -16.016 1.00 0.00 H new ATOM 357 N HIS A 147 1.924 3.897 -14.487 1.00 0.00 N ATOM 358 CA HIS A 147 0.838 4.866 -14.454 1.00 0.00 C ATOM 359 C HIS A 147 0.616 5.378 -13.028 1.00 0.00 C ATOM 360 O HIS A 147 1.386 5.059 -12.124 1.00 0.00 O ATOM 361 CB HIS A 147 -0.420 4.178 -14.977 1.00 0.00 C ATOM 362 CG HIS A 147 -0.863 3.025 -14.116 1.00 0.00 C ATOM 363 ND1 HIS A 147 -0.386 1.736 -14.161 1.00 0.00 N ATOM 364 CD2 HIS A 147 -1.811 3.070 -13.132 1.00 0.00 C ATOM 365 CE1 HIS A 147 -1.022 1.027 -13.210 1.00 0.00 C ATOM 366 NE2 HIS A 147 -1.911 1.802 -12.555 1.00 0.00 N ATOM 0 H HIS A 147 2.118 3.464 -13.584 1.00 0.00 H new ATOM 0 HA HIS A 147 1.084 5.726 -15.077 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -1.227 4.908 -15.040 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -0.236 3.818 -15.989 1.00 0.00 H new ATOM 0 HD1 HIS A 147 0.324 1.380 -14.801 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.386 3.939 -12.849 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -0.845 -0.018 -13.000 1.00 0.00 H new ATOM 374 N HIS A 148 -0.438 6.177 -12.826 1.00 0.00 N ATOM 375 CA HIS A 148 -0.799 6.721 -11.527 1.00 0.00 C ATOM 376 C HIS A 148 -2.279 6.464 -11.240 1.00 0.00 C ATOM 377 O HIS A 148 -3.020 6.028 -12.115 1.00 0.00 O ATOM 378 CB HIS A 148 -0.473 8.213 -11.479 1.00 0.00 C ATOM 379 CG HIS A 148 1.006 8.492 -11.428 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.702 9.360 -12.277 1.00 0.00 N ATOM 381 CD2 HIS A 148 1.877 7.935 -10.540 1.00 0.00 C ATOM 382 CE1 HIS A 148 2.980 9.294 -11.872 1.00 0.00 C ATOM 383 NE2 HIS A 148 3.115 8.453 -10.834 1.00 0.00 N ATOM 0 H HIS A 148 -1.068 6.463 -13.575 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.217 6.222 -10.752 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -0.899 8.700 -12.356 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -0.951 8.656 -10.605 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.641 7.227 -9.760 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.793 9.845 -12.322 1.00 0.00 H new ATOM 0 HE2 HIS A 148 3.985 8.236 -10.348 1.00 0.00 H new ATOM 391 N ALA A 149 -2.713 6.736 -10.003 1.00 0.00 N ATOM 392 CA ALA A 149 -4.048 6.400 -9.519 1.00 0.00 C ATOM 393 C ALA A 149 -5.154 7.019 -10.367 1.00 0.00 C ATOM 394 O ALA A 149 -6.238 6.446 -10.480 1.00 0.00 O ATOM 395 CB ALA A 149 -4.167 6.870 -8.072 1.00 0.00 C ATOM 0 H ALA A 149 -2.135 7.202 -9.304 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.176 5.320 -9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.159 6.628 -7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.413 6.370 -7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -4.014 7.948 -8.026 1.00 0.00 H new ATOM 401 N LYS A 150 -4.892 8.183 -10.966 1.00 0.00 N ATOM 402 CA LYS A 150 -5.843 8.881 -11.816 1.00 0.00 C ATOM 403 C LYS A 150 -5.895 8.300 -13.220 1.00 0.00 C ATOM 404 O LYS A 150 -6.803 8.622 -13.983 1.00 0.00 O ATOM 405 CB LYS A 150 -5.456 10.355 -11.875 1.00 0.00 C ATOM 406 CG LYS A 150 -4.031 10.552 -12.397 1.00 0.00 C ATOM 407 CD LYS A 150 -3.478 11.892 -11.922 1.00 0.00 C ATOM 408 CE LYS A 150 -3.295 11.858 -10.406 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.937 13.194 -9.894 1.00 0.00 N ATOM 0 H LYS A 150 -4.000 8.669 -10.869 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.838 8.762 -11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -6.155 10.888 -12.519 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.542 10.793 -10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.392 9.742 -12.047 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.026 10.514 -13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.525 12.098 -12.410 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.158 12.697 -12.199 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.215 11.516 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.516 11.142 -10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.048 13.211 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.949 13.407 -10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.561 13.908 -10.321 1.00 0.00 H new ATOM 423 N GLU A 151 -4.924 7.451 -13.547 1.00 0.00 N ATOM 424 CA GLU A 151 -4.856 6.745 -14.819 1.00 0.00 C ATOM 425 C GLU A 151 -5.190 5.264 -14.660 1.00 0.00 C ATOM 426 O GLU A 151 -5.302 4.546 -15.655 1.00 0.00 O ATOM 427 CB GLU A 151 -3.449 6.854 -15.401 1.00 0.00 C ATOM 428 CG GLU A 151 -2.872 8.261 -15.299 1.00 0.00 C ATOM 429 CD GLU A 151 -1.574 8.354 -16.091 1.00 0.00 C ATOM 430 OE1 GLU A 151 -1.654 8.679 -17.296 1.00 0.00 O ATOM 431 OE2 GLU A 151 -0.507 8.107 -15.485 1.00 0.00 O ATOM 0 H GLU A 151 -4.149 7.232 -12.922 1.00 0.00 H new ATOM 0 HA GLU A 151 -5.587 7.206 -15.483 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -2.791 6.158 -14.880 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.470 6.550 -16.448 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.592 8.986 -15.679 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.688 8.512 -14.254 1.00 0.00 H new ATOM 438 N CYS A 152 -5.347 4.806 -13.420 1.00 0.00 N ATOM 439 CA CYS A 152 -5.609 3.412 -13.111 1.00 0.00 C ATOM 440 C CYS A 152 -6.867 2.913 -13.814 1.00 0.00 C ATOM 441 O CYS A 152 -7.689 3.705 -14.277 1.00 0.00 O ATOM 442 CB CYS A 152 -5.686 3.229 -11.600 1.00 0.00 C ATOM 443 SG CYS A 152 -5.154 1.550 -11.213 1.00 0.00 S ATOM 0 H CYS A 152 -5.294 5.404 -12.595 1.00 0.00 H new ATOM 0 HA CYS A 152 -4.786 2.804 -13.487 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.050 3.956 -11.095 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.704 3.397 -11.247 1.00 0.00 H new ATOM 448 N LYS A 153 -7.013 1.588 -13.890 1.00 0.00 N ATOM 449 CA LYS A 153 -8.036 0.963 -14.719 1.00 0.00 C ATOM 450 C LYS A 153 -8.806 -0.131 -13.989 1.00 0.00 C ATOM 451 O LYS A 153 -9.655 -0.803 -14.574 1.00 0.00 O ATOM 452 CB LYS A 153 -7.416 0.447 -16.021 1.00 0.00 C ATOM 453 CG LYS A 153 -6.011 -0.139 -15.819 1.00 0.00 C ATOM 454 CD LYS A 153 -6.029 -1.374 -14.920 1.00 0.00 C ATOM 455 CE LYS A 153 -4.606 -1.716 -14.492 1.00 0.00 C ATOM 456 NZ LYS A 153 -3.750 -2.066 -15.640 1.00 0.00 N ATOM 0 H LYS A 153 -6.428 0.926 -13.381 1.00 0.00 H new ATOM 0 HA LYS A 153 -8.772 1.729 -14.961 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -8.065 -0.317 -16.450 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -7.364 1.263 -16.742 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.585 -0.402 -16.787 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.362 0.619 -15.381 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.649 -1.189 -14.043 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.472 -2.216 -15.451 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.173 -0.867 -13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.630 -2.550 -13.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -2.835 -2.421 -15.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -4.215 -2.802 -16.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.595 -1.222 -16.227 1.00 0.00 H new ATOM 470 N LEU A 154 -8.503 -0.315 -12.703 1.00 0.00 N ATOM 471 CA LEU A 154 -9.161 -1.290 -11.840 1.00 0.00 C ATOM 472 C LEU A 154 -9.840 -0.555 -10.680 1.00 0.00 C ATOM 473 O LEU A 154 -9.585 0.636 -10.477 1.00 0.00 O ATOM 474 CB LEU A 154 -8.144 -2.361 -11.409 1.00 0.00 C ATOM 475 CG LEU A 154 -6.781 -1.821 -11.007 1.00 0.00 C ATOM 476 CD1 LEU A 154 -6.943 -1.134 -9.659 1.00 0.00 C ATOM 477 CD2 LEU A 154 -5.809 -2.979 -10.857 1.00 0.00 C ATOM 0 H LEU A 154 -7.779 0.221 -12.225 1.00 0.00 H new ATOM 0 HA LEU A 154 -9.952 -1.824 -12.367 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.559 -2.920 -10.570 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -8.012 -3.067 -12.229 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.402 -1.127 -11.757 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.982 -0.733 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.664 -0.321 -9.749 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.299 -1.855 -8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -4.830 -2.597 -10.569 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.172 -3.662 -10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -5.727 -3.510 -11.805 1.00 0.00 H new ATOM 489 N PRO A 155 -10.699 -1.232 -9.907 1.00 0.00 N ATOM 490 CA PRO A 155 -11.374 -0.628 -8.767 1.00 0.00 C ATOM 491 C PRO A 155 -10.342 -0.306 -7.690 1.00 0.00 C ATOM 492 O PRO A 155 -9.215 -0.794 -7.753 1.00 0.00 O ATOM 493 CB PRO A 155 -12.401 -1.663 -8.307 1.00 0.00 C ATOM 494 CG PRO A 155 -11.802 -2.988 -8.764 1.00 0.00 C ATOM 495 CD PRO A 155 -11.083 -2.618 -10.060 1.00 0.00 C ATOM 0 HA PRO A 155 -11.873 0.311 -9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.540 -1.637 -7.226 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.377 -1.487 -8.758 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.113 -3.395 -8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -12.572 -3.741 -8.932 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.211 -3.252 -10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -11.736 -2.751 -10.923 1.00 0.00 H new ATOM 503 N PRO A 156 -10.693 0.509 -6.690 1.00 0.00 N ATOM 504 CA PRO A 156 -9.745 1.024 -5.710 1.00 0.00 C ATOM 505 C PRO A 156 -9.167 -0.080 -4.839 1.00 0.00 C ATOM 506 O PRO A 156 -9.778 -0.493 -3.853 1.00 0.00 O ATOM 507 CB PRO A 156 -10.527 2.064 -4.901 1.00 0.00 C ATOM 508 CG PRO A 156 -11.975 1.602 -5.034 1.00 0.00 C ATOM 509 CD PRO A 156 -12.032 1.011 -6.442 1.00 0.00 C ATOM 0 HA PRO A 156 -8.874 1.471 -6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -10.207 2.086 -3.859 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.388 3.069 -5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -12.231 0.861 -4.277 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.673 2.431 -4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.771 0.213 -6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -12.313 1.766 -7.176 1.00 0.00 H new ATOM 517 N GLN A 157 -7.974 -0.563 -5.202 1.00 0.00 N ATOM 518 CA GLN A 157 -7.281 -1.572 -4.420 1.00 0.00 C ATOM 519 C GLN A 157 -6.767 -0.928 -3.145 1.00 0.00 C ATOM 520 O GLN A 157 -6.531 0.282 -3.108 1.00 0.00 O ATOM 521 CB GLN A 157 -6.064 -2.128 -5.171 1.00 0.00 C ATOM 522 CG GLN A 157 -6.375 -2.490 -6.618 1.00 0.00 C ATOM 523 CD GLN A 157 -7.278 -3.701 -6.758 1.00 0.00 C ATOM 524 OE1 GLN A 157 -6.942 -4.790 -6.300 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.432 -3.522 -7.389 1.00 0.00 N ATOM 0 H GLN A 157 -7.472 -0.264 -6.038 1.00 0.00 H new ATOM 0 HA GLN A 157 -7.982 -2.382 -4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.262 -1.390 -5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.696 -3.013 -4.651 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -6.847 -1.636 -7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.440 -2.681 -7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.675 -2.602 -7.756 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.075 -4.305 -7.507 1.00 0.00 H new ATOM 534 N PRO A 158 -6.581 -1.722 -2.093 1.00 0.00 N ATOM 535 CA PRO A 158 -6.005 -1.240 -0.864 1.00 0.00 C ATOM 536 C PRO A 158 -4.499 -1.150 -1.046 1.00 0.00 C ATOM 537 O PRO A 158 -3.855 -2.111 -1.477 1.00 0.00 O ATOM 538 CB PRO A 158 -6.397 -2.291 0.169 1.00 0.00 C ATOM 539 CG PRO A 158 -6.458 -3.587 -0.644 1.00 0.00 C ATOM 540 CD PRO A 158 -6.907 -3.130 -2.032 1.00 0.00 C ATOM 0 HA PRO A 158 -6.348 -0.251 -0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.664 -2.356 0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.357 -2.061 0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.487 -4.081 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.162 -4.298 -0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.393 -3.687 -2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -7.975 -3.293 -2.174 1.00 0.00 H new ATOM 548 N LYS A 159 -3.939 0.009 -0.715 1.00 0.00 N ATOM 549 CA LYS A 159 -2.502 0.218 -0.820 1.00 0.00 C ATOM 550 C LYS A 159 -1.808 -0.536 0.305 1.00 0.00 C ATOM 551 O LYS A 159 -1.801 -0.104 1.452 1.00 0.00 O ATOM 552 CB LYS A 159 -2.116 1.707 -0.874 1.00 0.00 C ATOM 553 CG LYS A 159 -3.065 2.696 -0.202 1.00 0.00 C ATOM 554 CD LYS A 159 -2.510 4.114 -0.344 1.00 0.00 C ATOM 555 CE LYS A 159 -1.537 4.451 0.782 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.247 4.619 2.060 1.00 0.00 N ATOM 0 H LYS A 159 -4.459 0.817 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.158 -0.185 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.133 1.818 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.016 1.993 -1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.054 2.634 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.183 2.444 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -2.004 4.213 -1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -3.332 4.829 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -0.795 3.658 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -0.997 5.366 0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -1.615 4.361 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -2.542 5.611 2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -3.086 4.005 2.074 1.00 0.00 H new ATOM 570 N LYS A 160 -1.225 -1.679 -0.052 1.00 0.00 N ATOM 571 CA LYS A 160 -0.513 -2.538 0.875 1.00 0.00 C ATOM 572 C LYS A 160 0.868 -1.978 1.185 1.00 0.00 C ATOM 573 O LYS A 160 1.399 -1.160 0.434 1.00 0.00 O ATOM 574 CB LYS A 160 -0.343 -3.917 0.240 1.00 0.00 C ATOM 575 CG LYS A 160 -1.692 -4.584 -0.004 1.00 0.00 C ATOM 576 CD LYS A 160 -1.569 -5.676 -1.056 1.00 0.00 C ATOM 577 CE LYS A 160 -2.909 -5.725 -1.791 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.896 -6.707 -2.891 1.00 0.00 N ATOM 0 H LYS A 160 -1.238 -2.034 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.086 -2.600 1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.194 -3.822 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.264 -4.547 0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.067 -5.009 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.418 -3.839 -0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.755 -5.458 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.345 -6.637 -0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.701 -5.979 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -3.142 -4.737 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.822 -6.710 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -2.157 -6.450 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.699 -7.654 -2.509 1.00 0.00 H new ATOM 592 N CYS A 161 1.443 -2.428 2.299 1.00 0.00 N ATOM 593 CA CYS A 161 2.820 -2.134 2.652 1.00 0.00 C ATOM 594 C CYS A 161 3.739 -2.570 1.507 1.00 0.00 C ATOM 595 O CYS A 161 3.693 -3.719 1.076 1.00 0.00 O ATOM 596 CB CYS A 161 3.102 -2.885 3.958 1.00 0.00 C ATOM 597 SG CYS A 161 4.828 -2.721 4.458 1.00 0.00 S ATOM 0 H CYS A 161 0.959 -3.010 2.983 1.00 0.00 H new ATOM 0 HA CYS A 161 2.999 -1.070 2.803 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.456 -2.500 4.747 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.858 -3.940 3.832 1.00 0.00 H new ATOM 602 N HIS A 162 4.584 -1.663 1.004 1.00 0.00 N ATOM 603 CA HIS A 162 5.550 -1.947 -0.053 1.00 0.00 C ATOM 604 C HIS A 162 6.639 -2.891 0.449 1.00 0.00 C ATOM 605 O HIS A 162 7.639 -3.092 -0.238 1.00 0.00 O ATOM 606 CB HIS A 162 6.198 -0.631 -0.512 1.00 0.00 C ATOM 607 CG HIS A 162 5.324 0.240 -1.386 1.00 0.00 C ATOM 608 ND1 HIS A 162 4.367 -0.220 -2.294 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.357 1.603 -1.420 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.863 0.884 -2.865 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.441 1.991 -2.364 1.00 0.00 N ATOM 0 H HIS A 162 4.613 -0.696 1.328 1.00 0.00 H new ATOM 0 HA HIS A 162 5.029 -2.423 -0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.489 -0.060 0.370 1.00 0.00 H new ATOM 0 HB3 HIS A 162 7.113 -0.864 -1.057 1.00 0.00 H new ATOM 0 HD2 HIS A 162 5.982 2.250 -0.821 1.00 0.00 H new ATOM 0 HE1 HIS A 162 3.096 0.884 -3.625 1.00 0.00 H new ATOM 0 HE2 HIS A 162 4.234 2.951 -2.638 1.00 0.00 H new ATOM 619 N PHE A 163 6.454 -3.472 1.637 1.00 0.00 N ATOM 620 CA PHE A 163 7.504 -4.199 2.320 1.00 0.00 C ATOM 621 C PHE A 163 7.050 -5.568 2.812 1.00 0.00 C ATOM 622 O PHE A 163 7.837 -6.512 2.797 1.00 0.00 O ATOM 623 CB PHE A 163 7.900 -3.328 3.495 1.00 0.00 C ATOM 624 CG PHE A 163 9.301 -3.521 3.999 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.608 -4.636 4.791 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.280 -2.578 3.678 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.919 -4.805 5.254 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.586 -2.742 4.149 1.00 0.00 C ATOM 629 CZ PHE A 163 11.906 -3.854 4.928 1.00 0.00 C ATOM 0 H PHE A 163 5.570 -3.446 2.144 1.00 0.00 H new ATOM 0 HA PHE A 163 8.332 -4.393 1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.776 -2.284 3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.208 -3.518 4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.843 -5.356 5.041 1.00 0.00 H new ATOM 0 HD2 PHE A 163 10.029 -1.724 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.173 -5.662 5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.344 -2.011 3.911 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.917 -3.987 5.284 1.00 0.00 H new ATOM 639 N CYS A 164 5.792 -5.681 3.247 1.00 0.00 N ATOM 640 CA CYS A 164 5.232 -6.951 3.691 1.00 0.00 C ATOM 641 C CYS A 164 3.832 -7.173 3.118 1.00 0.00 C ATOM 642 O CYS A 164 3.137 -8.114 3.491 1.00 0.00 O ATOM 643 CB CYS A 164 5.202 -6.921 5.213 1.00 0.00 C ATOM 644 SG CYS A 164 3.935 -5.740 5.710 1.00 0.00 S ATOM 0 H CYS A 164 5.141 -4.898 3.299 1.00 0.00 H new ATOM 0 HA CYS A 164 5.844 -7.780 3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 164 4.980 -7.911 5.611 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.174 -6.629 5.609 1.00 0.00 H new ATOM 649 N GLN A 165 3.427 -6.288 2.204 1.00 0.00 N ATOM 650 CA GLN A 165 2.114 -6.251 1.573 1.00 0.00 C ATOM 651 C GLN A 165 0.955 -6.321 2.579 1.00 0.00 C ATOM 652 O GLN A 165 -0.125 -6.807 2.246 1.00 0.00 O ATOM 653 CB GLN A 165 1.983 -7.279 0.440 1.00 0.00 C ATOM 654 CG GLN A 165 2.858 -6.921 -0.767 1.00 0.00 C ATOM 655 CD GLN A 165 4.344 -7.087 -0.491 1.00 0.00 C ATOM 656 OE1 GLN A 165 4.856 -8.206 -0.479 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.054 -5.985 -0.273 1.00 0.00 N ATOM 0 H GLN A 165 4.039 -5.543 1.871 1.00 0.00 H new ATOM 0 HA GLN A 165 2.033 -5.268 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.264 -8.265 0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 165 0.941 -7.341 0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.578 -7.550 -1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.661 -5.890 -1.059 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.598 -5.073 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.055 -6.051 -0.089 1.00 0.00 H new ATOM 666 N SER A 166 1.158 -5.836 3.807 1.00 0.00 N ATOM 667 CA SER A 166 0.094 -5.759 4.799 1.00 0.00 C ATOM 668 C SER A 166 -0.637 -4.425 4.701 1.00 0.00 C ATOM 669 O SER A 166 -0.050 -3.383 4.977 1.00 0.00 O ATOM 670 CB SER A 166 0.720 -5.883 6.186 1.00 0.00 C ATOM 671 OG SER A 166 1.391 -7.116 6.289 1.00 0.00 O ATOM 0 H SER A 166 2.059 -5.489 4.135 1.00 0.00 H new ATOM 0 HA SER A 166 -0.622 -6.562 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.417 -5.062 6.357 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.051 -5.811 6.953 1.00 0.00 H new ATOM 0 HG SER A 166 2.357 -6.960 6.339 1.00 0.00 H new ATOM 677 N ILE A 167 -1.916 -4.447 4.310 1.00 0.00 N ATOM 678 CA ILE A 167 -2.773 -3.262 4.280 1.00 0.00 C ATOM 679 C ILE A 167 -3.022 -2.701 5.674 1.00 0.00 C ATOM 680 O ILE A 167 -3.423 -1.546 5.819 1.00 0.00 O ATOM 681 CB ILE A 167 -4.128 -3.613 3.665 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.811 -4.730 4.459 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.910 -4.034 2.215 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.899 -5.412 3.641 1.00 0.00 C ATOM 0 H ILE A 167 -2.388 -5.298 4.003 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.254 -2.511 3.684 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.783 -2.742 3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -4.068 -5.467 4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.244 -4.317 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.868 -4.288 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.453 -3.213 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.252 -4.903 2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.362 -6.199 4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.655 -4.679 3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.460 -5.847 2.743 1.00 0.00 H new ATOM 696 N SER A 168 -2.781 -3.518 6.698 1.00 0.00 N ATOM 697 CA SER A 168 -2.854 -3.125 8.093 1.00 0.00 C ATOM 698 C SER A 168 -2.107 -1.810 8.317 1.00 0.00 C ATOM 699 O SER A 168 -2.632 -0.894 8.951 1.00 0.00 O ATOM 700 CB SER A 168 -2.318 -4.268 8.951 1.00 0.00 C ATOM 701 OG SER A 168 -2.324 -3.901 10.313 1.00 0.00 O ATOM 0 H SER A 168 -2.523 -4.497 6.570 1.00 0.00 H new ATOM 0 HA SER A 168 -3.887 -2.940 8.386 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.928 -5.159 8.805 1.00 0.00 H new ATOM 0 HB3 SER A 168 -1.305 -4.521 8.640 1.00 0.00 H new ATOM 0 HG SER A 168 -1.980 -4.643 10.853 1.00 0.00 H new ATOM 707 N HIS A 169 -0.881 -1.734 7.800 1.00 0.00 N ATOM 708 CA HIS A 169 -0.006 -0.582 7.947 1.00 0.00 C ATOM 709 C HIS A 169 0.575 -0.207 6.585 1.00 0.00 C ATOM 710 O HIS A 169 0.076 -0.634 5.543 1.00 0.00 O ATOM 711 CB HIS A 169 1.106 -0.913 8.953 1.00 0.00 C ATOM 712 CG HIS A 169 1.901 -2.140 8.595 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.761 -3.384 9.161 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.895 -2.234 7.661 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.656 -4.203 8.585 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.381 -3.543 7.660 1.00 0.00 N ATOM 0 H HIS A 169 -0.464 -2.490 7.257 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.569 0.271 8.325 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.782 -0.061 9.026 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.662 -1.053 9.939 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.095 -3.640 9.890 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.245 -1.431 7.030 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.778 -5.248 8.830 1.00 0.00 H new ATOM 724 N MET A 170 1.631 0.603 6.604 1.00 0.00 N ATOM 725 CA MET A 170 2.349 1.038 5.419 1.00 0.00 C ATOM 726 C MET A 170 3.819 0.727 5.648 1.00 0.00 C ATOM 727 O MET A 170 4.229 0.522 6.786 1.00 0.00 O ATOM 728 CB MET A 170 2.174 2.548 5.264 1.00 0.00 C ATOM 729 CG MET A 170 0.731 2.972 5.009 1.00 0.00 C ATOM 730 SD MET A 170 0.297 3.245 3.273 1.00 0.00 S ATOM 731 CE MET A 170 0.312 1.555 2.642 1.00 0.00 C ATOM 0 H MET A 170 2.017 0.982 7.469 1.00 0.00 H new ATOM 0 HA MET A 170 1.979 0.537 4.524 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.535 3.042 6.166 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.797 2.895 4.440 1.00 0.00 H new ATOM 0 HG2 MET A 170 0.068 2.208 5.416 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.537 3.890 5.563 1.00 0.00 H new ATOM 0 HE1 MET A 170 0.028 1.557 1.590 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.313 1.136 2.747 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.396 0.949 3.208 1.00 0.00 H new ATOM 741 N VAL A 171 4.625 0.691 4.588 1.00 0.00 N ATOM 742 CA VAL A 171 6.059 0.516 4.753 1.00 0.00 C ATOM 743 C VAL A 171 6.593 1.618 5.648 1.00 0.00 C ATOM 744 O VAL A 171 7.635 1.474 6.285 1.00 0.00 O ATOM 745 CB VAL A 171 6.765 0.556 3.407 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.752 1.978 2.865 1.00 0.00 C ATOM 747 CG2 VAL A 171 8.214 0.114 3.525 1.00 0.00 C ATOM 0 H VAL A 171 4.312 0.780 3.621 1.00 0.00 H new ATOM 0 HA VAL A 171 6.248 -0.456 5.208 1.00 0.00 H new ATOM 0 HB VAL A 171 6.236 -0.124 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 171 7.259 2.004 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.721 2.311 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 171 7.267 2.638 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.688 0.155 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.742 0.777 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.253 -0.907 3.905 1.00 0.00 H new ATOM 757 N ALA A 172 5.856 2.731 5.682 1.00 0.00 N ATOM 758 CA ALA A 172 6.195 3.874 6.492 1.00 0.00 C ATOM 759 C ALA A 172 6.210 3.517 7.976 1.00 0.00 C ATOM 760 O ALA A 172 6.667 4.294 8.809 1.00 0.00 O ATOM 761 CB ALA A 172 5.175 4.971 6.225 1.00 0.00 C ATOM 0 H ALA A 172 5.002 2.852 5.138 1.00 0.00 H new ATOM 0 HA ALA A 172 7.196 4.216 6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.415 5.846 6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 172 5.200 5.242 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 172 4.179 4.613 6.484 1.00 0.00 H new ATOM 767 N SER A 173 5.703 2.329 8.294 1.00 0.00 N ATOM 768 CA SER A 173 5.580 1.840 9.655 1.00 0.00 C ATOM 769 C SER A 173 5.790 0.331 9.722 1.00 0.00 C ATOM 770 O SER A 173 5.482 -0.283 10.742 1.00 0.00 O ATOM 771 CB SER A 173 4.187 2.187 10.176 1.00 0.00 C ATOM 772 OG SER A 173 4.237 2.452 11.558 1.00 0.00 O ATOM 0 H SER A 173 5.361 1.670 7.595 1.00 0.00 H new ATOM 0 HA SER A 173 6.346 2.313 10.269 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.798 3.056 9.645 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.502 1.362 9.981 1.00 0.00 H new ATOM 0 HG SER A 173 3.339 2.675 11.881 1.00 0.00 H new ATOM 778 N CYS A 174 6.305 -0.275 8.642 1.00 0.00 N ATOM 779 CA CYS A 174 6.438 -1.731 8.596 1.00 0.00 C ATOM 780 C CYS A 174 7.161 -2.233 9.844 1.00 0.00 C ATOM 781 O CYS A 174 8.217 -1.708 10.198 1.00 0.00 O ATOM 782 CB CYS A 174 7.156 -2.193 7.327 1.00 0.00 C ATOM 783 SG CYS A 174 6.852 -3.967 7.100 1.00 0.00 S ATOM 0 H CYS A 174 6.629 0.212 7.807 1.00 0.00 H new ATOM 0 HA CYS A 174 5.436 -2.160 8.574 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.795 -1.634 6.464 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.226 -2.000 7.407 1.00 0.00 H new ATOM 788 N PRO A 175 6.614 -3.245 10.523 1.00 0.00 N ATOM 789 CA PRO A 175 7.217 -3.824 11.707 1.00 0.00 C ATOM 790 C PRO A 175 8.455 -4.627 11.325 1.00 0.00 C ATOM 791 O PRO A 175 9.254 -4.976 12.187 1.00 0.00 O ATOM 792 CB PRO A 175 6.136 -4.731 12.293 1.00 0.00 C ATOM 793 CG PRO A 175 5.348 -5.165 11.064 1.00 0.00 C ATOM 794 CD PRO A 175 5.372 -3.918 10.198 1.00 0.00 C ATOM 0 HA PRO A 175 7.543 -3.069 12.423 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.566 -5.584 12.818 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.508 -4.200 13.008 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.813 -6.015 10.564 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.331 -5.462 11.319 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.330 -4.174 9.139 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.513 -3.279 10.406 1.00 0.00 H new ATOM 802 N LEU A 176 8.620 -4.925 10.029 1.00 0.00 N ATOM 803 CA LEU A 176 9.763 -5.690 9.579 1.00 0.00 C ATOM 804 C LEU A 176 10.936 -4.759 9.334 1.00 0.00 C ATOM 805 O LEU A 176 12.022 -4.995 9.852 1.00 0.00 O ATOM 806 CB LEU A 176 9.418 -6.411 8.277 1.00 0.00 C ATOM 807 CG LEU A 176 8.131 -7.221 8.368 1.00 0.00 C ATOM 808 CD1 LEU A 176 7.920 -7.941 7.044 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.228 -8.240 9.496 1.00 0.00 C ATOM 0 H LEU A 176 7.976 -4.645 9.289 1.00 0.00 H new ATOM 0 HA LEU A 176 10.027 -6.420 10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.323 -5.678 7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.240 -7.074 8.007 1.00 0.00 H new ATOM 0 HG LEU A 176 7.292 -6.556 8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.002 -8.527 7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.843 -7.209 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.764 -8.604 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.302 -8.812 9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.061 -8.916 9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.390 -7.722 10.441 1.00 0.00 H new ATOM 821 N LYS A 177 10.744 -3.698 8.550 1.00 0.00 N ATOM 822 CA LYS A 177 11.865 -2.844 8.185 1.00 0.00 C ATOM 823 C LYS A 177 12.556 -2.283 9.416 1.00 0.00 C ATOM 824 O LYS A 177 13.706 -1.866 9.343 1.00 0.00 O ATOM 825 CB LYS A 177 11.398 -1.722 7.258 1.00 0.00 C ATOM 826 CG LYS A 177 10.714 -0.614 8.044 1.00 0.00 C ATOM 827 CD LYS A 177 10.379 0.571 7.139 1.00 0.00 C ATOM 828 CE LYS A 177 11.643 1.279 6.637 1.00 0.00 C ATOM 829 NZ LYS A 177 12.305 2.037 7.717 1.00 0.00 N ATOM 0 H LYS A 177 9.842 -3.417 8.165 1.00 0.00 H new ATOM 0 HA LYS A 177 12.595 -3.452 7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.251 -1.315 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.710 -2.123 6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.801 -0.997 8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.363 -0.285 8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.794 0.224 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.757 1.281 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.336 0.543 6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.383 1.956 5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.256 3.054 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 11.825 1.846 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 13.301 1.745 7.786 1.00 0.00 H new ATOM 843 N ALA A 178 11.863 -2.266 10.555 1.00 0.00 N ATOM 844 CA ALA A 178 12.423 -1.782 11.802 1.00 0.00 C ATOM 845 C ALA A 178 13.605 -2.646 12.254 1.00 0.00 C ATOM 846 O ALA A 178 14.356 -2.266 13.151 1.00 0.00 O ATOM 847 CB ALA A 178 11.327 -1.846 12.857 1.00 0.00 C ATOM 0 H ALA A 178 10.898 -2.589 10.632 1.00 0.00 H new ATOM 0 HA ALA A 178 12.786 -0.764 11.663 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.717 -1.488 13.809 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.489 -1.220 12.550 1.00 0.00 H new ATOM 0 HB3 ALA A 178 10.989 -2.876 12.968 1.00 0.00 H new ATOM 853 N GLN A 179 13.745 -3.808 11.618 1.00 0.00 N ATOM 854 CA GLN A 179 14.767 -4.802 11.906 1.00 0.00 C ATOM 855 C GLN A 179 15.336 -5.374 10.607 1.00 0.00 C ATOM 856 O GLN A 179 16.081 -6.351 10.648 1.00 0.00 O ATOM 857 CB GLN A 179 14.155 -5.904 12.785 1.00 0.00 C ATOM 858 CG GLN A 179 12.884 -6.454 12.127 1.00 0.00 C ATOM 859 CD GLN A 179 12.232 -7.596 12.883 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.743 -8.064 13.898 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.086 -8.048 12.382 1.00 0.00 N ATOM 0 H GLN A 179 13.124 -4.090 10.860 1.00 0.00 H new ATOM 0 HA GLN A 179 15.594 -4.340 12.445 1.00 0.00 H new ATOM 0 HB2 GLN A 179 14.877 -6.708 12.930 1.00 0.00 H new ATOM 0 HB3 GLN A 179 13.920 -5.505 13.772 1.00 0.00 H new ATOM 0 HG2 GLN A 179 12.163 -5.643 12.024 1.00 0.00 H new ATOM 0 HG3 GLN A 179 13.128 -6.793 11.120 1.00 0.00 H new ATOM 0 HE21 GLN A 179 10.699 -7.629 11.537 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.595 -8.814 12.843 1.00 0.00 H new ATOM 870 N GLN A 180 14.998 -4.779 9.454 1.00 0.00 N ATOM 871 CA GLN A 180 15.539 -5.205 8.163 1.00 0.00 C ATOM 872 C GLN A 180 16.133 -4.030 7.389 1.00 0.00 C ATOM 873 O GLN A 180 16.946 -4.235 6.488 1.00 0.00 O ATOM 874 CB GLN A 180 14.454 -5.834 7.284 1.00 0.00 C ATOM 875 CG GLN A 180 13.469 -6.741 8.010 1.00 0.00 C ATOM 876 CD GLN A 180 13.203 -8.020 7.231 1.00 0.00 C ATOM 877 OE1 GLN A 180 12.431 -8.031 6.278 1.00 0.00 O ATOM 878 NE2 GLN A 180 13.843 -9.111 7.629 1.00 0.00 N ATOM 0 H GLN A 180 14.347 -3.996 9.394 1.00 0.00 H new ATOM 0 HA GLN A 180 16.315 -5.937 8.386 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.895 -5.034 6.798 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.938 -6.410 6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.862 -6.990 8.996 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.531 -6.208 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 180 14.478 -9.067 8.426 1.00 0.00 H new ATOM 0 HE22 GLN A 180 13.700 -9.994 7.138 1.00 0.00 H new ATOM 887 N GLY A 181 15.736 -2.804 7.732 1.00 0.00 N ATOM 888 CA GLY A 181 16.187 -1.608 7.040 1.00 0.00 C ATOM 889 C GLY A 181 15.618 -0.347 7.693 1.00 0.00 C ATOM 890 O GLY A 181 14.899 0.402 7.038 1.00 0.00 O ATOM 0 H GLY A 181 15.091 -2.618 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 181 17.276 -1.567 7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.880 -1.651 5.995 1.00 0.00 H new ATOM 894 N PRO A 182 15.931 -0.104 8.975 1.00 0.00 N ATOM 895 CA PRO A 182 15.434 1.040 9.727 1.00 0.00 C ATOM 896 C PRO A 182 16.065 2.351 9.253 1.00 0.00 C ATOM 897 O PRO A 182 15.778 3.414 9.804 1.00 0.00 O ATOM 898 CB PRO A 182 15.783 0.746 11.186 1.00 0.00 C ATOM 899 CG PRO A 182 17.049 -0.100 11.060 1.00 0.00 C ATOM 900 CD PRO A 182 16.800 -0.921 9.798 1.00 0.00 C ATOM 0 HA PRO A 182 14.361 1.172 9.587 1.00 0.00 H new ATOM 0 HB2 PRO A 182 15.961 1.660 11.753 1.00 0.00 H new ATOM 0 HB3 PRO A 182 14.983 0.206 11.694 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.940 0.521 10.966 1.00 0.00 H new ATOM 0 HG3 PRO A 182 17.195 -0.737 11.932 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.734 -1.143 9.283 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.332 -1.876 10.036 1.00 0.00 H new ATOM 908 N SER A 183 16.926 2.289 8.235 1.00 0.00 N ATOM 909 CA SER A 183 17.585 3.458 7.690 1.00 0.00 C ATOM 910 C SER A 183 17.941 3.246 6.225 1.00 0.00 C ATOM 911 O SER A 183 17.874 2.128 5.715 1.00 0.00 O ATOM 912 CB SER A 183 18.849 3.740 8.502 1.00 0.00 C ATOM 913 OG SER A 183 19.492 4.904 8.026 1.00 0.00 O ATOM 0 H SER A 183 17.181 1.418 7.769 1.00 0.00 H new ATOM 0 HA SER A 183 16.908 4.310 7.751 1.00 0.00 H new ATOM 0 HB2 SER A 183 18.593 3.863 9.554 1.00 0.00 H new ATOM 0 HB3 SER A 183 19.528 2.890 8.437 1.00 0.00 H new ATOM 0 HG SER A 183 20.298 5.073 8.557 1.00 0.00 H new ATOM 919 N ALA A 184 18.321 4.333 5.555 1.00 0.00 N ATOM 920 CA ALA A 184 18.732 4.330 4.165 1.00 0.00 C ATOM 921 C ALA A 184 19.908 5.287 3.974 1.00 0.00 C ATOM 922 O ALA A 184 20.265 5.623 2.847 1.00 0.00 O ATOM 923 CB ALA A 184 17.543 4.733 3.302 1.00 0.00 C ATOM 0 H ALA A 184 18.350 5.260 5.981 1.00 0.00 H new ATOM 0 HA ALA A 184 19.060 3.334 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 184 17.839 4.735 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 184 16.730 4.022 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 184 17.209 5.731 3.586 1.00 0.00 H new ATOM 929 N GLN A 185 20.514 5.723 5.079 1.00 0.00 N ATOM 930 CA GLN A 185 21.628 6.662 5.072 1.00 0.00 C ATOM 931 C GLN A 185 22.681 6.239 6.094 1.00 0.00 C ATOM 932 O GLN A 185 23.482 7.055 6.541 1.00 0.00 O ATOM 933 CB GLN A 185 21.125 8.080 5.357 1.00 0.00 C ATOM 934 CG GLN A 185 20.142 8.542 4.278 1.00 0.00 C ATOM 935 CD GLN A 185 19.859 10.033 4.413 1.00 0.00 C ATOM 936 OE1 GLN A 185 18.900 10.441 5.062 1.00 0.00 O ATOM 937 NE2 GLN A 185 20.701 10.860 3.795 1.00 0.00 N ATOM 0 H GLN A 185 20.238 5.427 6.015 1.00 0.00 H new ATOM 0 HA GLN A 185 22.091 6.657 4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 185 20.639 8.108 6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 185 21.970 8.767 5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 185 20.553 8.332 3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 185 19.211 7.981 4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 185 21.487 10.485 3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 185 20.559 11.869 3.852 1.00 0.00 H new ATOM 946 N GLY A 186 22.684 4.960 6.474 1.00 0.00 N ATOM 947 CA GLY A 186 23.637 4.425 7.440 1.00 0.00 C ATOM 948 C GLY A 186 23.519 2.911 7.510 1.00 0.00 C ATOM 949 O GLY A 186 24.467 2.247 7.043 1.00 0.00 O ATOM 950 OXT GLY A 186 22.487 2.433 8.025 1.00 0.00 O ATOM 0 H GLY A 186 22.024 4.268 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 186 24.651 4.705 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 186 23.451 4.857 8.423 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 11.795 7.174 3.499 1.00 0.00 O ATOM 956 C5' A B 1 10.541 6.756 4.001 1.00 0.00 C ATOM 957 C4' A B 1 9.444 7.074 2.992 1.00 0.00 C ATOM 958 O4' A B 1 9.647 6.266 1.838 1.00 0.00 O ATOM 959 C3' A B 1 8.076 6.731 3.569 1.00 0.00 C ATOM 960 O3' A B 1 7.116 7.599 2.981 1.00 0.00 O ATOM 961 C2' A B 1 7.914 5.312 3.071 1.00 0.00 C ATOM 962 O2' A B 1 6.565 4.941 3.059 1.00 0.00 O ATOM 963 C1' A B 1 8.495 5.466 1.680 1.00 0.00 C ATOM 964 N9 A B 1 8.739 4.162 1.026 1.00 0.00 N ATOM 965 C8 A B 1 8.134 3.703 -0.111 1.00 0.00 C ATOM 966 N7 A B 1 8.497 2.501 -0.471 1.00 0.00 N ATOM 967 C5 A B 1 9.402 2.126 0.515 1.00 0.00 C ATOM 968 C6 A B 1 10.121 0.943 0.744 1.00 0.00 C ATOM 969 N6 A B 1 10.050 -0.127 -0.053 1.00 0.00 N ATOM 970 N1 A B 1 10.916 0.879 1.818 1.00 0.00 N ATOM 971 C2 A B 1 10.980 1.919 2.635 1.00 0.00 C ATOM 972 N3 A B 1 10.360 3.092 2.540 1.00 0.00 N ATOM 973 C4 A B 1 9.565 3.132 1.439 1.00 0.00 C ATOM 0 H5' A B 1 10.333 7.257 4.947 1.00 0.00 H new ATOM 0 H5'' A B 1 10.560 5.685 4.205 1.00 0.00 H new ATOM 0 H4' A B 1 9.481 8.136 2.748 1.00 0.00 H new ATOM 0 H3' A B 1 7.965 6.830 4.649 1.00 0.00 H new ATOM 0 H2' A B 1 8.389 4.535 3.670 1.00 0.00 H new ATOM 0 HO2' A B 1 6.083 5.481 2.398 1.00 0.00 H new ATOM 0 HO5' A B 1 11.897 6.864 2.575 1.00 0.00 H new ATOM 0 H1' A B 1 7.799 5.951 0.996 1.00 0.00 H new ATOM 0 H8 A B 1 7.415 4.287 -0.666 1.00 0.00 H new ATOM 0 H61 A B 1 10.596 -0.961 0.163 1.00 0.00 H new ATOM 0 H62 A B 1 9.450 -0.110 -0.877 1.00 0.00 H new ATOM 0 H2 A B 1 11.622 1.799 3.495 1.00 0.00 H new ATOM 986 P G B 2 6.016 8.357 3.876 1.00 0.00 P ATOM 987 OP1 G B 2 6.286 9.810 3.797 1.00 0.00 O ATOM 988 OP2 G B 2 5.961 7.702 5.197 1.00 0.00 O ATOM 989 O5' G B 2 4.621 8.048 3.128 1.00 0.00 O ATOM 990 C5' G B 2 4.070 8.957 2.196 1.00 0.00 C ATOM 991 C4' G B 2 2.714 8.450 1.687 1.00 0.00 C ATOM 992 O4' G B 2 2.925 7.432 0.717 1.00 0.00 O ATOM 993 C3' G B 2 1.819 7.880 2.796 1.00 0.00 C ATOM 994 O3' G B 2 0.823 8.762 3.281 1.00 0.00 O ATOM 995 C2' G B 2 1.100 6.746 2.083 1.00 0.00 C ATOM 996 O2' G B 2 -0.089 7.213 1.489 1.00 0.00 O ATOM 997 C1' G B 2 2.063 6.339 0.977 1.00 0.00 C ATOM 998 N9 G B 2 2.817 5.157 1.416 1.00 0.00 N ATOM 999 C8 G B 2 3.770 5.034 2.398 1.00 0.00 C ATOM 1000 N7 G B 2 4.127 3.807 2.606 1.00 0.00 N ATOM 1001 C5 G B 2 3.448 3.074 1.644 1.00 0.00 C ATOM 1002 C6 G B 2 3.494 1.688 1.359 1.00 0.00 C ATOM 1003 O6 G B 2 4.122 0.810 1.937 1.00 0.00 O ATOM 1004 N1 G B 2 2.711 1.346 0.278 1.00 0.00 N ATOM 1005 C2 G B 2 1.939 2.234 -0.434 1.00 0.00 C ATOM 1006 N2 G B 2 1.245 1.744 -1.460 1.00 0.00 N ATOM 1007 N3 G B 2 1.861 3.540 -0.154 1.00 0.00 N ATOM 1008 C4 G B 2 2.656 3.897 0.888 1.00 0.00 C ATOM 0 H5' G B 2 4.754 9.087 1.358 1.00 0.00 H new ATOM 0 H5'' G B 2 3.948 9.935 2.662 1.00 0.00 H new ATOM 0 H4' G B 2 2.202 9.314 1.263 1.00 0.00 H new ATOM 0 H3' G B 2 2.426 7.626 3.665 1.00 0.00 H new ATOM 0 H2' G B 2 0.838 5.935 2.763 1.00 0.00 H new ATOM 0 HO2' G B 2 -0.123 8.191 1.550 1.00 0.00 H new ATOM 0 H1' G B 2 1.531 6.084 0.061 1.00 0.00 H new ATOM 0 H8 G B 2 4.179 5.874 2.940 1.00 0.00 H new ATOM 0 H1 G B 2 2.703 0.369 -0.014 1.00 0.00 H new ATOM 0 H21 G B 2 0.657 2.362 -2.020 1.00 0.00 H new ATOM 0 H22 G B 2 1.301 0.751 -1.686 1.00 0.00 H new ATOM 1020 P G B 3 1.190 10.175 3.925 1.00 0.00 P ATOM 1021 OP1 G B 3 2.527 10.067 4.544 1.00 0.00 O ATOM 1022 OP2 G B 3 0.053 10.626 4.754 1.00 0.00 O ATOM 1023 O5' G B 3 1.281 11.128 2.635 1.00 0.00 O ATOM 1024 C5' G B 3 0.104 11.647 2.043 1.00 0.00 C ATOM 1025 C4' G B 3 -0.164 11.082 0.645 1.00 0.00 C ATOM 1026 O4' G B 3 -0.582 9.722 0.710 1.00 0.00 O ATOM 1027 C3' G B 3 -1.294 11.896 0.010 1.00 0.00 C ATOM 1028 O3' G B 3 -0.932 12.303 -1.297 1.00 0.00 O ATOM 1029 C2' G B 3 -2.495 10.953 0.024 1.00 0.00 C ATOM 1030 O2' G B 3 -3.258 11.075 -1.160 1.00 0.00 O ATOM 1031 C1' G B 3 -1.873 9.565 0.142 1.00 0.00 C ATOM 1032 N9 G B 3 -2.722 8.669 0.956 1.00 0.00 N ATOM 1033 C8 G B 3 -3.343 7.513 0.563 1.00 0.00 C ATOM 1034 N7 G B 3 -4.062 6.947 1.492 1.00 0.00 N ATOM 1035 C5 G B 3 -3.911 7.792 2.586 1.00 0.00 C ATOM 1036 C6 G B 3 -4.469 7.702 3.897 1.00 0.00 C ATOM 1037 O6 G B 3 -5.225 6.849 4.354 1.00 0.00 O ATOM 1038 N1 G B 3 -4.059 8.747 4.705 1.00 0.00 N ATOM 1039 C2 G B 3 -3.220 9.762 4.308 1.00 0.00 C ATOM 1040 N2 G B 3 -2.916 10.674 5.226 1.00 0.00 N ATOM 1041 N3 G B 3 -2.706 9.865 3.081 1.00 0.00 N ATOM 1042 C4 G B 3 -3.092 8.849 2.269 1.00 0.00 C ATOM 0 H5' G B 3 0.184 12.732 1.981 1.00 0.00 H new ATOM 0 H5'' G B 3 -0.747 11.426 2.687 1.00 0.00 H new ATOM 0 H4' G B 3 0.755 11.140 0.062 1.00 0.00 H new ATOM 0 H3' G B 3 -1.516 12.819 0.545 1.00 0.00 H new ATOM 0 H2' G B 3 -3.187 11.171 0.837 1.00 0.00 H new ATOM 0 HO2' G B 3 -3.519 12.011 -1.286 1.00 0.00 H new ATOM 0 H1' G B 3 -1.792 9.099 -0.840 1.00 0.00 H new ATOM 0 H8 G B 3 -3.245 7.105 -0.432 1.00 0.00 H new ATOM 0 H1 G B 3 -4.404 8.766 5.665 1.00 0.00 H new ATOM 0 H21 G B 3 -2.298 11.450 4.989 1.00 0.00 H new ATOM 0 H22 G B 3 -3.301 10.598 6.168 1.00 0.00 H new ATOM 1054 P A B 4 -1.557 13.646 -1.925 1.00 0.00 P ATOM 1055 OP1 A B 4 -0.676 14.776 -1.568 1.00 0.00 O ATOM 1056 OP2 A B 4 -2.994 13.708 -1.571 1.00 0.00 O ATOM 1057 O5' A B 4 -1.454 13.433 -3.514 1.00 0.00 O ATOM 1058 C5' A B 4 -2.275 12.477 -4.149 1.00 0.00 C ATOM 1059 C4' A B 4 -2.276 12.683 -5.666 1.00 0.00 C ATOM 1060 O4' A B 4 -2.899 11.573 -6.293 1.00 0.00 O ATOM 1061 C3' A B 4 -3.139 13.892 -6.017 1.00 0.00 C ATOM 1062 O3' A B 4 -2.867 14.350 -7.327 1.00 0.00 O ATOM 1063 C2' A B 4 -4.528 13.278 -5.973 1.00 0.00 C ATOM 1064 O2' A B 4 -5.425 13.952 -6.834 1.00 0.00 O ATOM 1065 C1' A B 4 -4.286 11.842 -6.427 1.00 0.00 C ATOM 1066 N9 A B 4 -5.114 10.892 -5.656 1.00 0.00 N ATOM 1067 C8 A B 4 -5.275 10.783 -4.297 1.00 0.00 C ATOM 1068 N7 A B 4 -6.097 9.838 -3.928 1.00 0.00 N ATOM 1069 C5 A B 4 -6.515 9.282 -5.139 1.00 0.00 C ATOM 1070 C6 A B 4 -7.402 8.244 -5.466 1.00 0.00 C ATOM 1071 N6 A B 4 -8.060 7.529 -4.551 1.00 0.00 N ATOM 1072 N1 A B 4 -7.600 7.955 -6.760 1.00 0.00 N ATOM 1073 C2 A B 4 -6.956 8.659 -7.681 1.00 0.00 C ATOM 1074 N3 A B 4 -6.099 9.654 -7.512 1.00 0.00 N ATOM 1075 C4 A B 4 -5.923 9.921 -6.195 1.00 0.00 C ATOM 0 H5' A B 4 -3.293 12.554 -3.766 1.00 0.00 H new ATOM 0 H5'' A B 4 -1.921 11.473 -3.914 1.00 0.00 H new ATOM 0 H4' A B 4 -1.244 12.811 -5.994 1.00 0.00 H new ATOM 0 H3' A B 4 -2.985 14.749 -5.361 1.00 0.00 H new ATOM 0 H2' A B 4 -4.990 13.342 -4.988 1.00 0.00 H new ATOM 0 HO2' A B 4 -4.920 14.523 -7.450 1.00 0.00 H new ATOM 0 H1' A B 4 -4.580 11.718 -7.469 1.00 0.00 H new ATOM 0 H8 A B 4 -4.765 11.424 -3.593 1.00 0.00 H new ATOM 0 H61 A B 4 -8.693 6.785 -4.844 1.00 0.00 H new ATOM 0 H62 A B 4 -7.929 7.727 -3.559 1.00 0.00 H new ATOM 0 H2 A B 4 -7.157 8.384 -8.706 1.00 0.00 H new ATOM 1087 P G B 5 -2.058 15.712 -7.582 1.00 0.00 P ATOM 1088 OP1 G B 5 -2.333 16.635 -6.459 1.00 0.00 O ATOM 1089 OP2 G B 5 -2.334 16.146 -8.966 1.00 0.00 O ATOM 1090 O5' G B 5 -0.529 15.252 -7.526 1.00 0.00 O ATOM 1091 C5' G B 5 0.319 15.628 -6.463 1.00 0.00 C ATOM 1092 C4' G B 5 1.662 14.903 -6.611 1.00 0.00 C ATOM 1093 O4' G B 5 1.432 13.529 -6.373 1.00 0.00 O ATOM 1094 C3' G B 5 2.237 15.051 -8.020 1.00 0.00 C ATOM 1095 O3' G B 5 3.646 15.054 -8.000 1.00 0.00 O ATOM 1096 C2' G B 5 1.779 13.759 -8.685 1.00 0.00 C ATOM 1097 O2' G B 5 2.634 13.365 -9.737 1.00 0.00 O ATOM 1098 C1' G B 5 1.811 12.785 -7.516 1.00 0.00 C ATOM 1099 N9 G B 5 0.865 11.683 -7.756 1.00 0.00 N ATOM 1100 C8 G B 5 -0.417 11.739 -8.237 1.00 0.00 C ATOM 1101 N7 G B 5 -0.991 10.574 -8.356 1.00 0.00 N ATOM 1102 C5 G B 5 -0.022 9.679 -7.912 1.00 0.00 C ATOM 1103 C6 G B 5 -0.073 8.264 -7.747 1.00 0.00 C ATOM 1104 O6 G B 5 -1.002 7.498 -7.989 1.00 0.00 O ATOM 1105 N1 G B 5 1.111 7.749 -7.248 1.00 0.00 N ATOM 1106 C2 G B 5 2.223 8.498 -6.974 1.00 0.00 C ATOM 1107 N2 G B 5 3.281 7.838 -6.532 1.00 0.00 N ATOM 1108 N3 G B 5 2.291 9.824 -7.118 1.00 0.00 N ATOM 1109 C4 G B 5 1.129 10.351 -7.582 1.00 0.00 C ATOM 0 H5' G B 5 -0.141 15.375 -5.508 1.00 0.00 H new ATOM 0 H5'' G B 5 0.472 16.707 -6.468 1.00 0.00 H new ATOM 0 H4' G B 5 2.373 15.335 -5.907 1.00 0.00 H new ATOM 0 H3' G B 5 1.921 15.973 -8.508 1.00 0.00 H new ATOM 0 H2' G B 5 0.805 13.834 -9.168 1.00 0.00 H new ATOM 0 HO2' G B 5 3.541 13.693 -9.562 1.00 0.00 H new ATOM 0 H1' G B 5 2.799 12.343 -7.385 1.00 0.00 H new ATOM 0 H8 G B 5 -0.908 12.666 -8.495 1.00 0.00 H new ATOM 0 H1 G B 5 1.158 6.745 -7.073 1.00 0.00 H new ATOM 0 H21 G B 5 4.140 8.341 -6.310 1.00 0.00 H new ATOM 0 H22 G B 5 3.238 6.826 -6.413 1.00 0.00 H new ATOM 1121 P A B 6 4.465 16.366 -7.598 1.00 0.00 P ATOM 1122 OP1 A B 6 3.607 17.542 -7.829 1.00 0.00 O ATOM 1123 OP2 A B 6 5.786 16.279 -8.259 1.00 0.00 O ATOM 1124 O5' A B 6 4.690 16.215 -6.019 1.00 0.00 O ATOM 1125 C5' A B 6 5.285 17.268 -5.299 1.00 0.00 C ATOM 1126 C4' A B 6 5.972 16.732 -4.043 1.00 0.00 C ATOM 1127 O4' A B 6 6.941 15.775 -4.420 1.00 0.00 O ATOM 1128 C3' A B 6 6.707 17.879 -3.351 1.00 0.00 C ATOM 1129 O3' A B 6 6.857 17.530 -1.986 1.00 0.00 O ATOM 1130 C2' A B 6 8.015 17.838 -4.123 1.00 0.00 C ATOM 1131 O2' A B 6 9.061 18.524 -3.473 1.00 0.00 O ATOM 1132 C1' A B 6 8.221 16.332 -4.199 1.00 0.00 C ATOM 1133 N9 A B 6 9.151 15.972 -5.284 1.00 0.00 N ATOM 1134 C8 A B 6 8.869 15.729 -6.604 1.00 0.00 C ATOM 1135 N7 A B 6 9.917 15.461 -7.329 1.00 0.00 N ATOM 1136 C5 A B 6 10.971 15.536 -6.421 1.00 0.00 C ATOM 1137 C6 A B 6 12.362 15.384 -6.545 1.00 0.00 C ATOM 1138 N6 A B 6 12.969 15.119 -7.703 1.00 0.00 N ATOM 1139 N1 A B 6 13.128 15.517 -5.452 1.00 0.00 N ATOM 1140 C2 A B 6 12.542 15.788 -4.294 1.00 0.00 C ATOM 1141 N3 A B 6 11.255 15.966 -4.038 1.00 0.00 N ATOM 1142 C4 A B 6 10.511 15.828 -5.166 1.00 0.00 C ATOM 0 H5' A B 6 4.528 18.002 -5.022 1.00 0.00 H new ATOM 0 H5'' A B 6 6.012 17.782 -5.928 1.00 0.00 H new ATOM 0 H4' A B 6 5.226 16.291 -3.382 1.00 0.00 H new ATOM 0 H3' A B 6 6.240 18.864 -3.353 1.00 0.00 H new ATOM 0 H2' A B 6 7.998 18.339 -5.091 1.00 0.00 H new ATOM 0 HO2' A B 6 9.898 18.383 -3.963 1.00 0.00 H new ATOM 0 H1' A B 6 8.668 15.950 -3.281 1.00 0.00 H new ATOM 0 H8 A B 6 7.867 15.757 -7.006 1.00 0.00 H new ATOM 0 H61 A B 6 13.984 15.019 -7.736 1.00 0.00 H new ATOM 0 H62 A B 6 12.419 15.017 -8.556 1.00 0.00 H new ATOM 0 H2 A B 6 13.204 15.875 -3.445 1.00 0.00 H new ATOM 1154 P U B 7 7.100 18.634 -0.845 1.00 0.00 P ATOM 1155 OP1 U B 7 6.539 18.076 0.402 1.00 0.00 O ATOM 1156 OP2 U B 7 6.613 19.943 -1.338 1.00 0.00 O ATOM 1157 O5' U B 7 8.694 18.723 -0.655 1.00 0.00 O ATOM 1158 C5' U B 7 9.230 19.206 0.560 1.00 0.00 C ATOM 1159 C4' U B 7 10.764 19.253 0.572 1.00 0.00 C ATOM 1160 O4' U B 7 11.306 17.974 0.870 1.00 0.00 O ATOM 1161 C3' U B 7 11.366 19.697 -0.759 1.00 0.00 C ATOM 1162 O3' U B 7 12.588 20.363 -0.504 1.00 0.00 O ATOM 1163 C2' U B 7 11.620 18.368 -1.453 1.00 0.00 C ATOM 1164 O2' U B 7 12.685 18.436 -2.380 1.00 0.00 O ATOM 1165 C1' U B 7 11.940 17.447 -0.283 1.00 0.00 C ATOM 1166 N1 U B 7 11.462 16.074 -0.563 1.00 0.00 N ATOM 1167 C2 U B 7 12.397 15.057 -0.632 1.00 0.00 C ATOM 1168 O2 U B 7 13.602 15.247 -0.470 1.00 0.00 O ATOM 1169 N3 U B 7 11.907 13.787 -0.896 1.00 0.00 N ATOM 1170 C4 U B 7 10.580 13.455 -1.085 1.00 0.00 C ATOM 1171 O4 U B 7 10.257 12.286 -1.285 1.00 0.00 O ATOM 1172 C5 U B 7 9.676 14.578 -1.022 1.00 0.00 C ATOM 1173 C6 U B 7 10.129 15.823 -0.769 1.00 0.00 C ATOM 0 H5' U B 7 8.887 18.572 1.378 1.00 0.00 H new ATOM 0 H5'' U B 7 8.841 20.207 0.748 1.00 0.00 H new ATOM 0 H4' U B 7 11.020 19.985 1.338 1.00 0.00 H new ATOM 0 H3' U B 7 10.743 20.376 -1.342 1.00 0.00 H new ATOM 0 H2' U B 7 10.776 18.032 -2.056 1.00 0.00 H new ATOM 0 HO2' U B 7 12.671 17.641 -2.953 1.00 0.00 H new ATOM 0 HO3' U B 7 13.266 20.058 -1.143 1.00 0.00 H new ATOM 0 H1' U B 7 13.017 17.393 -0.125 1.00 0.00 H new ATOM 0 H3 U B 7 12.588 13.030 -0.956 1.00 0.00 H new ATOM 0 H5 U B 7 8.620 14.419 -1.180 1.00 0.00 H new ATOM 0 H6 U B 7 9.426 16.642 -0.728 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -3.078 1.736 -10.808 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.913 -3.919 6.202 1.00 0.00 ZN