USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=24 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 131 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0) USER MOD Set 1.2: B 1 A O5' : rot 180:sc= 1.06 USER MOD Set 2.1: A 159 LYS NZ :NH3+ -173:sc= 2.41 (180deg=1.08) USER MOD Set 2.2: B 2 G O2' : rot -110:sc= 1.03 USER MOD Set 3.1: A 148 HIS : no HD1:sc= -1.28 K(o=-1.1,f=0.13) USER MOD Set 3.2: B 5 G O2' : rot 12:sc= 0.211 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 166:sc= -0.022 (180deg=-0.236) USER MOD Single : A 128 SER OG : rot 130:sc= 0.689 USER MOD Single : A 129 MET CE :methyl 160:sc= -1.07 (180deg=-1.62!) USER MOD Single : A 130 GLN : amide:sc= -0.837 K(o=-0.84,f=-1.4) USER MOD Single : A 134 SER OG : rot 180:sc= 0.00334 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 30:sc= 0.00693 USER MOD Single : A 141 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.93) USER MOD Single : A 150 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.818) USER MOD Single : A 153 LYS NZ :NH3+ 168:sc=-0.00485 (180deg=-0.141) USER MOD Single : A 157 GLN : amide:sc= -1.17! K(o=-1.2!,f=-0.25) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 165 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 166 SER OG : rot 98:sc= 1.27 USER MOD Single : A 168 SER OG : rot 180:sc= -0.114 USER MOD Single : A 170 MET CE :methyl 178:sc= -4.73! (180deg=-5!) USER MOD Single : A 173 SER OG : rot -51:sc= 0.0232 USER MOD Single : A 177 LYS NZ :NH3+ 178:sc=-0.00892 (180deg=-0.0214) USER MOD Single : A 179 GLN : amide:sc= -0.543 K(o=-0.54,f=-0.014) USER MOD Single : A 180 GLN : amide:sc= 0.737 K(o=0.74,f=-7.1!) USER MOD Single : A 183 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 185 GLN : amide:sc= -0.0592 K(o=-0.059,f=-0.67) USER MOD Single : B 1 A O2' : rot -86:sc=-0.00365! USER MOD Single : B 3 G O2' : rot -100:sc= 1.49 USER MOD Single : B 4 A O2' : rot 180:sc= -0.825 USER MOD Single : B 6 A O2' : rot -25:sc= 0.709 USER MOD Single : B 7 U O2' : rot -18:sc= 0.35 USER MOD Single : B 7 U O3' : rot -76:sc= 0.602 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 124 7.151 -13.440 7.068 1.00 0.00 N ATOM 2 CA PRO A 124 7.249 -12.354 6.086 1.00 0.00 C ATOM 3 C PRO A 124 8.512 -11.516 6.248 1.00 0.00 C ATOM 4 O PRO A 124 8.892 -11.181 7.369 1.00 0.00 O ATOM 5 CB PRO A 124 5.979 -11.517 6.233 1.00 0.00 C ATOM 6 CG PRO A 124 4.950 -12.499 6.804 1.00 0.00 C ATOM 7 CD PRO A 124 5.731 -13.799 6.968 1.00 0.00 C ATOM 0 HA PRO A 124 7.329 -12.766 5.080 1.00 0.00 H new ATOM 0 HB2 PRO A 124 6.135 -10.670 6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 124 5.655 -11.112 5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.551 -12.150 7.757 1.00 0.00 H new ATOM 0 HG3 PRO A 124 4.102 -12.625 6.131 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.405 -14.334 7.860 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.560 -14.461 6.119 1.00 0.00 H new ATOM 15 N LYS A 125 9.156 -11.177 5.130 1.00 0.00 N ATOM 16 CA LYS A 125 10.360 -10.352 5.114 1.00 0.00 C ATOM 17 C LYS A 125 10.492 -9.613 3.790 1.00 0.00 C ATOM 18 O LYS A 125 9.780 -9.914 2.827 1.00 0.00 O ATOM 19 CB LYS A 125 11.592 -11.224 5.378 1.00 0.00 C ATOM 20 CG LYS A 125 11.793 -12.291 4.299 1.00 0.00 C ATOM 21 CD LYS A 125 13.083 -13.077 4.556 1.00 0.00 C ATOM 22 CE LYS A 125 13.005 -13.819 5.890 1.00 0.00 C ATOM 23 NZ LYS A 125 14.286 -14.471 6.213 1.00 0.00 N ATOM 0 H LYS A 125 8.851 -11.472 4.202 1.00 0.00 H new ATOM 0 HA LYS A 125 10.284 -9.605 5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.478 -10.591 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.490 -11.708 6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 125 10.941 -12.971 4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.837 -11.820 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.249 -13.789 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.935 -12.397 4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.740 -13.120 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.214 -14.567 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 14.203 -14.967 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 14.525 -15.155 5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.035 -13.752 6.277 1.00 0.00 H new ATOM 37 N GLY A 126 11.404 -8.643 3.732 1.00 0.00 N ATOM 38 CA GLY A 126 11.657 -7.879 2.515 1.00 0.00 C ATOM 39 C GLY A 126 12.690 -6.784 2.746 1.00 0.00 C ATOM 40 O GLY A 126 13.175 -6.608 3.860 1.00 0.00 O ATOM 0 H GLY A 126 11.985 -8.367 4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 126 12.006 -8.549 1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.726 -7.434 2.164 1.00 0.00 H new ATOM 44 N LYS A 127 13.030 -6.050 1.683 1.00 0.00 N ATOM 45 CA LYS A 127 13.991 -4.958 1.727 1.00 0.00 C ATOM 46 C LYS A 127 13.590 -3.864 0.749 1.00 0.00 C ATOM 47 O LYS A 127 13.162 -4.155 -0.369 1.00 0.00 O ATOM 48 CB LYS A 127 15.375 -5.474 1.316 1.00 0.00 C ATOM 49 CG LYS A 127 15.955 -6.493 2.295 1.00 0.00 C ATOM 50 CD LYS A 127 16.337 -5.826 3.621 1.00 0.00 C ATOM 51 CE LYS A 127 16.876 -6.858 4.610 1.00 0.00 C ATOM 52 NZ LYS A 127 18.090 -7.516 4.101 1.00 0.00 N ATOM 0 H LYS A 127 12.636 -6.205 0.755 1.00 0.00 H new ATOM 0 HA LYS A 127 14.014 -4.561 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 127 15.307 -5.928 0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 127 16.060 -4.630 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 127 15.226 -7.282 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 127 16.833 -6.966 1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 127 17.089 -5.058 3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 127 15.466 -5.327 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 127 17.097 -6.371 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 127 16.110 -7.608 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 18.559 -8.026 4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 17.832 -8.188 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 18.738 -6.799 3.716 1.00 0.00 H new ATOM 66 N SER A 128 13.730 -2.606 1.169 1.00 0.00 N ATOM 67 CA SER A 128 13.491 -1.453 0.313 1.00 0.00 C ATOM 68 C SER A 128 14.072 -0.203 0.966 1.00 0.00 C ATOM 69 O SER A 128 14.253 -0.167 2.182 1.00 0.00 O ATOM 70 CB SER A 128 11.987 -1.283 0.103 1.00 0.00 C ATOM 71 OG SER A 128 11.759 -0.323 -0.907 1.00 0.00 O ATOM 0 H SER A 128 14.014 -2.362 2.118 1.00 0.00 H new ATOM 0 HA SER A 128 13.974 -1.605 -0.652 1.00 0.00 H new ATOM 0 HB2 SER A 128 11.538 -2.236 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 128 11.512 -0.969 1.032 1.00 0.00 H new ATOM 0 HG SER A 128 11.132 -0.685 -1.567 1.00 0.00 H new ATOM 77 N MET A 129 14.368 0.817 0.156 1.00 0.00 N ATOM 78 CA MET A 129 14.955 2.070 0.607 1.00 0.00 C ATOM 79 C MET A 129 14.448 3.209 -0.270 1.00 0.00 C ATOM 80 O MET A 129 14.965 3.445 -1.362 1.00 0.00 O ATOM 81 CB MET A 129 16.483 1.998 0.523 1.00 0.00 C ATOM 82 CG MET A 129 17.127 1.270 1.706 1.00 0.00 C ATOM 83 SD MET A 129 17.194 2.233 3.245 1.00 0.00 S ATOM 84 CE MET A 129 15.715 1.634 4.106 1.00 0.00 C ATOM 0 H MET A 129 14.201 0.789 -0.850 1.00 0.00 H new ATOM 0 HA MET A 129 14.667 2.247 1.643 1.00 0.00 H new ATOM 0 HB2 MET A 129 16.765 1.493 -0.401 1.00 0.00 H new ATOM 0 HB3 MET A 129 16.884 3.010 0.468 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.574 0.350 1.893 1.00 0.00 H new ATOM 0 HG3 MET A 129 18.141 0.982 1.429 1.00 0.00 H new ATOM 0 HE1 MET A 129 15.803 1.846 5.172 1.00 0.00 H new ATOM 0 HE2 MET A 129 14.834 2.137 3.708 1.00 0.00 H new ATOM 0 HE3 MET A 129 15.618 0.559 3.957 1.00 0.00 H new ATOM 94 N GLN A 130 13.422 3.916 0.215 1.00 0.00 N ATOM 95 CA GLN A 130 12.863 5.078 -0.462 1.00 0.00 C ATOM 96 C GLN A 130 12.418 6.088 0.588 1.00 0.00 C ATOM 97 O GLN A 130 12.195 5.726 1.744 1.00 0.00 O ATOM 98 CB GLN A 130 11.664 4.666 -1.324 1.00 0.00 C ATOM 99 CG GLN A 130 12.041 3.692 -2.443 1.00 0.00 C ATOM 100 CD GLN A 130 10.828 3.336 -3.297 1.00 0.00 C ATOM 101 OE1 GLN A 130 9.837 4.063 -3.323 1.00 0.00 O ATOM 102 NE2 GLN A 130 10.885 2.210 -4.003 1.00 0.00 N ATOM 0 H GLN A 130 12.957 3.692 1.095 1.00 0.00 H new ATOM 0 HA GLN A 130 13.619 5.520 -1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 130 10.907 4.206 -0.689 1.00 0.00 H new ATOM 0 HB3 GLN A 130 11.214 5.557 -1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 130 12.813 4.137 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 130 12.464 2.785 -2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 130 11.720 1.625 -3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 130 10.094 1.932 -4.584 1.00 0.00 H new ATOM 111 N LYS A 131 12.292 7.353 0.183 1.00 0.00 N ATOM 112 CA LYS A 131 11.921 8.453 1.061 1.00 0.00 C ATOM 113 C LYS A 131 11.132 9.516 0.301 1.00 0.00 C ATOM 114 O LYS A 131 10.544 10.399 0.923 1.00 0.00 O ATOM 115 CB LYS A 131 13.203 9.097 1.613 1.00 0.00 C ATOM 116 CG LYS A 131 13.968 8.199 2.590 1.00 0.00 C ATOM 117 CD LYS A 131 13.197 7.983 3.895 1.00 0.00 C ATOM 118 CE LYS A 131 13.034 9.313 4.633 1.00 0.00 C ATOM 119 NZ LYS A 131 12.365 9.120 5.925 1.00 0.00 N ATOM 0 H LYS A 131 12.449 7.642 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 131 11.300 8.062 1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 131 13.858 9.355 0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 131 12.944 10.029 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 131 14.162 7.235 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 131 14.937 8.647 2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 131 12.218 7.554 3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 131 13.727 7.270 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 131 14.012 9.768 4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 131 12.456 10.004 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.907 10.008 6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.647 8.373 5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 13.066 8.842 6.641 1.00 0.00 H new ATOM 133 N ARG A 132 11.106 9.442 -1.034 1.00 0.00 N ATOM 134 CA ARG A 132 10.507 10.459 -1.883 1.00 0.00 C ATOM 135 C ARG A 132 9.887 9.843 -3.131 1.00 0.00 C ATOM 136 O ARG A 132 10.083 8.663 -3.416 1.00 0.00 O ATOM 137 CB ARG A 132 11.576 11.476 -2.267 1.00 0.00 C ATOM 138 CG ARG A 132 11.912 12.353 -1.063 1.00 0.00 C ATOM 139 CD ARG A 132 12.813 13.494 -1.510 1.00 0.00 C ATOM 140 NE ARG A 132 13.083 14.415 -0.400 1.00 0.00 N ATOM 141 CZ ARG A 132 13.833 15.512 -0.503 1.00 0.00 C ATOM 142 NH1 ARG A 132 14.421 15.825 -1.654 1.00 0.00 N ATOM 143 NH2 ARG A 132 13.994 16.306 0.555 1.00 0.00 N ATOM 0 H ARG A 132 11.507 8.662 -1.555 1.00 0.00 H new ATOM 0 HA ARG A 132 9.707 10.954 -1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 132 12.472 10.962 -2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 132 11.223 12.095 -3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 132 10.998 12.748 -0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 132 12.409 11.761 -0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 132 13.752 13.093 -1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 132 12.341 14.035 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 132 12.670 14.202 0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 132 14.300 15.223 -2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 132 14.993 16.667 -1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 132 13.544 16.073 1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 132 14.567 17.146 0.480 1.00 0.00 H new ATOM 157 N ARG A 133 9.134 10.656 -3.877 1.00 0.00 N ATOM 158 CA ARG A 133 8.469 10.236 -5.105 1.00 0.00 C ATOM 159 C ARG A 133 9.355 10.431 -6.334 1.00 0.00 C ATOM 160 O ARG A 133 8.871 10.409 -7.465 1.00 0.00 O ATOM 161 CB ARG A 133 7.140 10.956 -5.242 1.00 0.00 C ATOM 162 CG ARG A 133 7.306 12.449 -5.509 1.00 0.00 C ATOM 163 CD ARG A 133 5.918 13.012 -5.763 1.00 0.00 C ATOM 164 NE ARG A 133 5.137 13.130 -4.525 1.00 0.00 N ATOM 165 CZ ARG A 133 4.212 12.261 -4.119 1.00 0.00 C ATOM 166 NH1 ARG A 133 3.880 11.204 -4.852 1.00 0.00 N ATOM 167 NH2 ARG A 133 3.597 12.453 -2.957 1.00 0.00 N ATOM 0 H ARG A 133 8.970 11.634 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 133 8.276 9.165 -5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 133 6.570 10.507 -6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 133 6.560 10.816 -4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 133 7.773 12.944 -4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 133 7.954 12.617 -6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 133 6.005 13.992 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 133 5.389 12.368 -6.466 1.00 0.00 H new ATOM 0 HE ARG A 133 5.316 13.939 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 133 4.337 11.042 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 133 3.168 10.554 -4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.834 13.262 -2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.888 11.792 -2.640 1.00 0.00 H new ATOM 181 N SER A 134 10.652 10.622 -6.103 1.00 0.00 N ATOM 182 CA SER A 134 11.623 10.793 -7.172 1.00 0.00 C ATOM 183 C SER A 134 11.691 9.528 -8.028 1.00 0.00 C ATOM 184 O SER A 134 11.823 9.614 -9.247 1.00 0.00 O ATOM 185 CB SER A 134 12.986 11.099 -6.562 1.00 0.00 C ATOM 186 OG SER A 134 13.300 10.103 -5.612 1.00 0.00 O ATOM 0 H SER A 134 11.056 10.662 -5.167 1.00 0.00 H new ATOM 0 HA SER A 134 11.321 11.622 -7.813 1.00 0.00 H new ATOM 0 HB2 SER A 134 13.748 11.130 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 134 12.974 12.081 -6.088 1.00 0.00 H new ATOM 0 HG SER A 134 14.176 10.293 -5.217 1.00 0.00 H new ATOM 192 N LYS A 135 11.597 8.360 -7.380 1.00 0.00 N ATOM 193 CA LYS A 135 11.542 7.052 -8.019 1.00 0.00 C ATOM 194 C LYS A 135 10.838 6.067 -7.095 1.00 0.00 C ATOM 195 O LYS A 135 10.617 6.347 -5.919 1.00 0.00 O ATOM 196 CB LYS A 135 12.949 6.510 -8.280 1.00 0.00 C ATOM 197 CG LYS A 135 13.594 7.224 -9.466 1.00 0.00 C ATOM 198 CD LYS A 135 14.875 6.512 -9.912 1.00 0.00 C ATOM 199 CE LYS A 135 14.543 5.134 -10.484 1.00 0.00 C ATOM 200 NZ LYS A 135 15.754 4.454 -10.964 1.00 0.00 N ATOM 0 H LYS A 135 11.556 8.305 -6.362 1.00 0.00 H new ATOM 0 HA LYS A 135 11.008 7.163 -8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 135 13.565 6.643 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 135 12.900 5.439 -8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 135 12.889 7.264 -10.297 1.00 0.00 H new ATOM 0 HG3 LYS A 135 13.824 8.254 -9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 135 15.390 7.111 -10.663 1.00 0.00 H new ATOM 0 HD3 LYS A 135 15.555 6.408 -9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 135 14.060 4.526 -9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 135 13.832 5.239 -11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 15.500 3.521 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 16.200 5.025 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 16.421 4.334 -10.175 1.00 0.00 H new ATOM 214 N GLY A 136 10.488 4.905 -7.641 1.00 0.00 N ATOM 215 CA GLY A 136 9.911 3.816 -6.868 1.00 0.00 C ATOM 216 C GLY A 136 8.425 4.031 -6.590 1.00 0.00 C ATOM 217 O GLY A 136 7.735 3.096 -6.200 1.00 0.00 O ATOM 0 H GLY A 136 10.598 4.695 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 136 10.046 2.878 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.446 3.720 -5.923 1.00 0.00 H new ATOM 221 N ASP A 137 7.925 5.256 -6.787 1.00 0.00 N ATOM 222 CA ASP A 137 6.511 5.567 -6.641 1.00 0.00 C ATOM 223 C ASP A 137 5.719 4.848 -7.727 1.00 0.00 C ATOM 224 O ASP A 137 6.245 4.569 -8.810 1.00 0.00 O ATOM 225 CB ASP A 137 6.298 7.086 -6.700 1.00 0.00 C ATOM 226 CG ASP A 137 6.869 7.739 -7.958 1.00 0.00 C ATOM 227 OD1 ASP A 137 8.052 7.482 -8.281 1.00 0.00 O ATOM 228 OD2 ASP A 137 6.110 8.503 -8.593 1.00 0.00 O ATOM 0 H ASP A 137 8.497 6.058 -7.053 1.00 0.00 H new ATOM 0 HA ASP A 137 6.154 5.220 -5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.230 7.296 -6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.758 7.543 -5.824 1.00 0.00 H new ATOM 233 N ARG A 138 4.447 4.549 -7.444 1.00 0.00 N ATOM 234 CA ARG A 138 3.608 3.751 -8.329 1.00 0.00 C ATOM 235 C ARG A 138 2.157 4.221 -8.256 1.00 0.00 C ATOM 236 O ARG A 138 1.808 5.021 -7.393 1.00 0.00 O ATOM 237 CB ARG A 138 3.716 2.284 -7.895 1.00 0.00 C ATOM 238 CG ARG A 138 5.079 1.700 -8.264 1.00 0.00 C ATOM 239 CD ARG A 138 5.208 0.252 -7.800 1.00 0.00 C ATOM 240 NE ARG A 138 6.602 -0.197 -7.880 1.00 0.00 N ATOM 241 CZ ARG A 138 7.250 -0.869 -6.926 1.00 0.00 C ATOM 242 NH1 ARG A 138 6.663 -1.187 -5.775 1.00 0.00 N ATOM 243 NH2 ARG A 138 8.507 -1.236 -7.131 1.00 0.00 N ATOM 0 H ARG A 138 3.975 4.856 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 138 3.942 3.862 -9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.564 2.208 -6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.927 1.702 -8.370 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.218 1.751 -9.344 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.868 2.300 -7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.850 0.160 -6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.578 -0.390 -8.416 1.00 0.00 H new ATOM 0 HE ARG A 138 7.117 0.022 -8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 138 5.694 -0.917 -5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.182 -1.701 -5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.969 -1.004 -8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.012 -1.750 -6.409 1.00 0.00 H new ATOM 257 N CYS A 139 1.319 3.715 -9.169 1.00 0.00 N ATOM 258 CA CYS A 139 -0.113 3.962 -9.211 1.00 0.00 C ATOM 259 C CYS A 139 -0.698 3.783 -7.815 1.00 0.00 C ATOM 260 O CYS A 139 -0.714 2.678 -7.276 1.00 0.00 O ATOM 261 CB CYS A 139 -0.745 2.997 -10.223 1.00 0.00 C ATOM 262 SG CYS A 139 -2.540 2.951 -10.033 1.00 0.00 S ATOM 0 H CYS A 139 1.638 3.103 -9.920 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.324 4.983 -9.529 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.490 3.308 -11.236 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.335 1.997 -10.084 1.00 0.00 H new ATOM 267 N TYR A 140 -1.177 4.884 -7.234 1.00 0.00 N ATOM 268 CA TYR A 140 -1.778 4.891 -5.908 1.00 0.00 C ATOM 269 C TYR A 140 -3.182 4.291 -5.928 1.00 0.00 C ATOM 270 O TYR A 140 -3.942 4.487 -4.979 1.00 0.00 O ATOM 271 CB TYR A 140 -1.780 6.319 -5.368 1.00 0.00 C ATOM 272 CG TYR A 140 -0.379 6.853 -5.146 1.00 0.00 C ATOM 273 CD1 TYR A 140 0.518 6.123 -4.346 1.00 0.00 C ATOM 274 CD2 TYR A 140 0.028 8.062 -5.731 1.00 0.00 C ATOM 275 CE1 TYR A 140 1.827 6.580 -4.156 1.00 0.00 C ATOM 276 CE2 TYR A 140 1.340 8.518 -5.545 1.00 0.00 C ATOM 277 CZ TYR A 140 2.247 7.778 -4.764 1.00 0.00 C ATOM 278 OH TYR A 140 3.522 8.227 -4.595 1.00 0.00 O ATOM 0 H TYR A 140 -1.156 5.802 -7.678 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.185 4.264 -5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.307 6.968 -6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.331 6.349 -4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 140 0.195 5.206 -3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.667 8.639 -6.322 1.00 0.00 H new ATOM 0 HE1 TYR A 140 2.514 6.014 -3.544 1.00 0.00 H new ATOM 0 HE2 TYR A 140 1.657 9.443 -6.004 1.00 0.00 H new ATOM 0 HH TYR A 140 4.124 7.464 -4.469 1.00 0.00 H new ATOM 288 N ASN A 141 -3.541 3.562 -6.992 1.00 0.00 N ATOM 289 CA ASN A 141 -4.817 2.878 -7.063 1.00 0.00 C ATOM 290 C ASN A 141 -4.633 1.365 -7.176 1.00 0.00 C ATOM 291 O ASN A 141 -5.458 0.622 -6.650 1.00 0.00 O ATOM 292 CB ASN A 141 -5.608 3.456 -8.239 1.00 0.00 C ATOM 293 CG ASN A 141 -7.005 2.865 -8.331 1.00 0.00 C ATOM 294 OD1 ASN A 141 -7.972 3.450 -7.855 1.00 0.00 O ATOM 295 ND2 ASN A 141 -7.129 1.700 -8.949 1.00 0.00 N ATOM 0 H ASN A 141 -2.953 3.437 -7.816 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.378 3.041 -6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.679 4.538 -8.131 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.071 3.262 -9.167 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -8.048 1.266 -9.039 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.306 1.237 -9.335 1.00 0.00 H new ATOM 302 N CYS A 142 -3.575 0.898 -7.855 1.00 0.00 N ATOM 303 CA CYS A 142 -3.304 -0.526 -7.986 1.00 0.00 C ATOM 304 C CYS A 142 -1.920 -0.902 -7.465 1.00 0.00 C ATOM 305 O CYS A 142 -1.754 -1.935 -6.817 1.00 0.00 O ATOM 306 CB CYS A 142 -3.494 -0.923 -9.444 1.00 0.00 C ATOM 307 SG CYS A 142 -2.093 -0.409 -10.447 1.00 0.00 S ATOM 0 H CYS A 142 -2.894 1.497 -8.322 1.00 0.00 H new ATOM 0 HA CYS A 142 -4.007 -1.082 -7.366 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -3.619 -2.003 -9.516 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.407 -0.470 -9.831 1.00 0.00 H new ATOM 312 N GLY A 143 -0.932 -0.050 -7.752 1.00 0.00 N ATOM 313 CA GLY A 143 0.448 -0.266 -7.373 1.00 0.00 C ATOM 314 C GLY A 143 1.328 -0.567 -8.586 1.00 0.00 C ATOM 315 O GLY A 143 2.427 -1.089 -8.421 1.00 0.00 O ATOM 0 H GLY A 143 -1.081 0.820 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 143 0.827 0.618 -6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 143 0.506 -1.094 -6.667 1.00 0.00 H new ATOM 319 N GLY A 144 0.859 -0.247 -9.796 1.00 0.00 N ATOM 320 CA GLY A 144 1.627 -0.446 -11.017 1.00 0.00 C ATOM 321 C GLY A 144 2.556 0.732 -11.294 1.00 0.00 C ATOM 322 O GLY A 144 2.420 1.779 -10.676 1.00 0.00 O ATOM 0 H GLY A 144 -0.065 0.157 -9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.214 -1.361 -10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.946 -0.579 -11.858 1.00 0.00 H new ATOM 326 N LEU A 145 3.501 0.578 -12.216 1.00 0.00 N ATOM 327 CA LEU A 145 4.544 1.574 -12.436 1.00 0.00 C ATOM 328 C LEU A 145 4.468 2.174 -13.829 1.00 0.00 C ATOM 329 O LEU A 145 4.940 3.290 -14.045 1.00 0.00 O ATOM 330 CB LEU A 145 5.939 0.979 -12.225 1.00 0.00 C ATOM 331 CG LEU A 145 6.017 -0.549 -12.317 1.00 0.00 C ATOM 332 CD1 LEU A 145 7.461 -0.979 -12.537 1.00 0.00 C ATOM 333 CD2 LEU A 145 5.554 -1.172 -11.006 1.00 0.00 C ATOM 0 H LEU A 145 3.566 -0.235 -12.828 1.00 0.00 H new ATOM 0 HA LEU A 145 4.374 2.362 -11.703 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.615 1.407 -12.966 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.304 1.287 -11.245 1.00 0.00 H new ATOM 0 HG LEU A 145 5.385 -0.874 -13.143 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.511 -2.066 -12.602 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.833 -0.543 -13.464 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.074 -0.637 -11.703 1.00 0.00 H new ATOM 0 HD21 LEU A 145 5.612 -2.258 -11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 145 6.194 -0.828 -10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.524 -0.876 -10.806 1.00 0.00 H new ATOM 345 N ASP A 146 3.880 1.449 -14.782 1.00 0.00 N ATOM 346 CA ASP A 146 3.739 1.917 -16.148 1.00 0.00 C ATOM 347 C ASP A 146 2.642 2.979 -16.258 1.00 0.00 C ATOM 348 O ASP A 146 2.414 3.528 -17.337 1.00 0.00 O ATOM 349 CB ASP A 146 3.446 0.714 -17.044 1.00 0.00 C ATOM 350 CG ASP A 146 3.127 1.128 -18.476 1.00 0.00 C ATOM 351 OD1 ASP A 146 4.039 1.665 -19.144 1.00 0.00 O ATOM 352 OD2 ASP A 146 1.971 0.907 -18.902 1.00 0.00 O ATOM 0 H ASP A 146 3.490 0.520 -14.621 1.00 0.00 H new ATOM 0 HA ASP A 146 4.665 2.392 -16.472 1.00 0.00 H new ATOM 0 HB2 ASP A 146 4.306 0.045 -17.044 1.00 0.00 H new ATOM 0 HB3 ASP A 146 2.606 0.153 -16.634 1.00 0.00 H new ATOM 357 N HIS A 147 1.957 3.275 -15.151 1.00 0.00 N ATOM 358 CA HIS A 147 0.845 4.209 -15.142 1.00 0.00 C ATOM 359 C HIS A 147 0.651 4.823 -13.758 1.00 0.00 C ATOM 360 O HIS A 147 1.456 4.607 -12.852 1.00 0.00 O ATOM 361 CB HIS A 147 -0.420 3.466 -15.577 1.00 0.00 C ATOM 362 CG HIS A 147 -0.833 2.393 -14.604 1.00 0.00 C ATOM 363 ND1 HIS A 147 -0.295 1.134 -14.492 1.00 0.00 N ATOM 364 CD2 HIS A 147 -1.822 2.495 -13.663 1.00 0.00 C ATOM 365 CE1 HIS A 147 -0.938 0.499 -13.496 1.00 0.00 C ATOM 366 NE2 HIS A 147 -1.885 1.288 -12.960 1.00 0.00 N ATOM 0 H HIS A 147 2.163 2.870 -14.238 1.00 0.00 H new ATOM 0 HA HIS A 147 1.056 5.025 -15.834 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -1.235 4.181 -15.689 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -0.253 3.017 -16.556 1.00 0.00 H new ATOM 0 HD1 HIS A 147 0.458 0.749 -15.063 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.447 3.360 -13.493 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -0.723 -0.508 -13.171 1.00 0.00 H new ATOM 374 N HIS A 148 -0.431 5.594 -13.601 1.00 0.00 N ATOM 375 CA HIS A 148 -0.766 6.277 -12.356 1.00 0.00 C ATOM 376 C HIS A 148 -2.222 6.030 -11.987 1.00 0.00 C ATOM 377 O HIS A 148 -2.993 5.506 -12.786 1.00 0.00 O ATOM 378 CB HIS A 148 -0.493 7.777 -12.511 1.00 0.00 C ATOM 379 CG HIS A 148 0.976 8.106 -12.585 1.00 0.00 C ATOM 380 ND1 HIS A 148 1.559 9.042 -13.437 1.00 0.00 N ATOM 381 CD2 HIS A 148 1.946 7.530 -11.824 1.00 0.00 C ATOM 382 CE1 HIS A 148 2.872 9.009 -13.157 1.00 0.00 C ATOM 383 NE2 HIS A 148 3.131 8.108 -12.196 1.00 0.00 N ATOM 0 H HIS A 148 -1.105 5.760 -14.348 1.00 0.00 H new ATOM 0 HA HIS A 148 -0.146 5.883 -11.551 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -0.986 8.139 -13.413 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -0.937 8.310 -11.670 1.00 0.00 H new ATOM 0 HD2 HIS A 148 1.808 6.766 -11.073 1.00 0.00 H new ATOM 0 HE1 HIS A 148 3.618 9.623 -13.639 1.00 0.00 H new ATOM 0 HE2 HIS A 148 4.050 7.892 -11.810 1.00 0.00 H new ATOM 391 N ALA A 149 -2.611 6.412 -10.769 1.00 0.00 N ATOM 392 CA ALA A 149 -3.930 6.126 -10.215 1.00 0.00 C ATOM 393 C ALA A 149 -5.057 6.705 -11.069 1.00 0.00 C ATOM 394 O ALA A 149 -6.182 6.214 -11.031 1.00 0.00 O ATOM 395 CB ALA A 149 -4.005 6.698 -8.801 1.00 0.00 C ATOM 0 H ALA A 149 -2.009 6.935 -10.134 1.00 0.00 H new ATOM 0 HA ALA A 149 -4.064 5.044 -10.200 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.987 6.490 -8.376 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -3.236 6.237 -8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -3.845 7.776 -8.836 1.00 0.00 H new ATOM 401 N LYS A 150 -4.753 7.752 -11.837 1.00 0.00 N ATOM 402 CA LYS A 150 -5.708 8.400 -12.722 1.00 0.00 C ATOM 403 C LYS A 150 -5.852 7.640 -14.040 1.00 0.00 C ATOM 404 O LYS A 150 -6.844 7.806 -14.752 1.00 0.00 O ATOM 405 CB LYS A 150 -5.219 9.821 -12.973 1.00 0.00 C ATOM 406 CG LYS A 150 -3.856 9.787 -13.670 1.00 0.00 C ATOM 407 CD LYS A 150 -3.190 11.155 -13.681 1.00 0.00 C ATOM 408 CE LYS A 150 -2.825 11.581 -12.263 1.00 0.00 C ATOM 409 NZ LYS A 150 -2.155 12.892 -12.285 1.00 0.00 N ATOM 0 H LYS A 150 -3.825 8.175 -11.859 1.00 0.00 H new ATOM 0 HA LYS A 150 -6.693 8.411 -12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.939 10.359 -13.589 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.141 10.360 -12.029 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -3.207 9.072 -13.164 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.981 9.436 -14.694 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.294 11.125 -14.300 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.861 11.889 -14.127 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.723 11.633 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.171 10.837 -11.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.300 13.371 -11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.137 12.759 -12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.555 13.473 -13.049 1.00 0.00 H new ATOM 423 N GLU A 151 -4.861 6.808 -14.356 1.00 0.00 N ATOM 424 CA GLU A 151 -4.848 5.983 -15.560 1.00 0.00 C ATOM 425 C GLU A 151 -5.158 4.523 -15.246 1.00 0.00 C ATOM 426 O GLU A 151 -5.240 3.695 -16.153 1.00 0.00 O ATOM 427 CB GLU A 151 -3.474 6.056 -16.235 1.00 0.00 C ATOM 428 CG GLU A 151 -2.990 7.493 -16.358 1.00 0.00 C ATOM 429 CD GLU A 151 -1.772 7.581 -17.274 1.00 0.00 C ATOM 430 OE1 GLU A 151 -1.975 7.698 -18.502 1.00 0.00 O ATOM 431 OE2 GLU A 151 -0.640 7.537 -16.739 1.00 0.00 O ATOM 0 H GLU A 151 -4.033 6.687 -13.773 1.00 0.00 H new ATOM 0 HA GLU A 151 -5.619 6.371 -16.225 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -2.753 5.476 -15.659 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.529 5.603 -17.225 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.791 8.119 -16.751 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -2.737 7.881 -15.372 1.00 0.00 H new ATOM 438 N CYS A 152 -5.336 4.207 -13.962 1.00 0.00 N ATOM 439 CA CYS A 152 -5.629 2.865 -13.505 1.00 0.00 C ATOM 440 C CYS A 152 -6.925 2.338 -14.104 1.00 0.00 C ATOM 441 O CYS A 152 -7.731 3.105 -14.631 1.00 0.00 O ATOM 442 CB CYS A 152 -5.634 2.844 -11.978 1.00 0.00 C ATOM 443 SG CYS A 152 -5.183 1.167 -11.475 1.00 0.00 S ATOM 0 H CYS A 152 -5.278 4.891 -13.208 1.00 0.00 H new ATOM 0 HA CYS A 152 -4.849 2.187 -13.852 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.926 3.570 -11.579 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -6.617 3.112 -11.591 1.00 0.00 H new ATOM 448 N LYS A 153 -7.131 1.020 -14.017 1.00 0.00 N ATOM 449 CA LYS A 153 -8.235 0.346 -14.688 1.00 0.00 C ATOM 450 C LYS A 153 -9.025 -0.570 -13.763 1.00 0.00 C ATOM 451 O LYS A 153 -9.986 -1.200 -14.202 1.00 0.00 O ATOM 452 CB LYS A 153 -7.711 -0.402 -15.922 1.00 0.00 C ATOM 453 CG LYS A 153 -6.327 -1.027 -15.741 1.00 0.00 C ATOM 454 CD LYS A 153 -6.286 -2.118 -14.679 1.00 0.00 C ATOM 455 CE LYS A 153 -7.065 -3.351 -15.124 1.00 0.00 C ATOM 456 NZ LYS A 153 -6.333 -4.074 -16.173 1.00 0.00 N ATOM 0 H LYS A 153 -6.533 0.394 -13.477 1.00 0.00 H new ATOM 0 HA LYS A 153 -8.943 1.110 -15.010 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -8.420 -1.188 -16.184 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -7.677 0.290 -16.764 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.999 -1.445 -16.693 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.616 -0.245 -15.474 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -5.251 -2.392 -14.476 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.704 -1.738 -13.747 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.234 -4.009 -14.271 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -8.045 -3.054 -15.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -6.768 -5.007 -16.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -6.370 -3.531 -17.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -5.342 -4.196 -15.883 1.00 0.00 H new ATOM 470 N LEU A 154 -8.626 -0.646 -12.494 1.00 0.00 N ATOM 471 CA LEU A 154 -9.298 -1.452 -11.483 1.00 0.00 C ATOM 472 C LEU A 154 -9.804 -0.552 -10.356 1.00 0.00 C ATOM 473 O LEU A 154 -9.410 0.614 -10.288 1.00 0.00 O ATOM 474 CB LEU A 154 -8.361 -2.588 -11.043 1.00 0.00 C ATOM 475 CG LEU A 154 -6.924 -2.167 -10.742 1.00 0.00 C ATOM 476 CD1 LEU A 154 -6.916 -1.502 -9.377 1.00 0.00 C ATOM 477 CD2 LEU A 154 -6.033 -3.398 -10.680 1.00 0.00 C ATOM 0 H LEU A 154 -7.815 -0.141 -12.137 1.00 0.00 H new ATOM 0 HA LEU A 154 -10.189 -1.937 -11.880 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -8.779 -3.058 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -8.344 -3.347 -11.825 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.559 -1.492 -11.516 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.901 -1.188 -9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -7.571 -0.631 -9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -7.270 -2.208 -8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -5.008 -3.095 -10.465 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -6.387 -4.064 -9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -6.064 -3.918 -11.637 1.00 0.00 H new ATOM 489 N PRO A 155 -10.667 -1.053 -9.463 1.00 0.00 N ATOM 490 CA PRO A 155 -11.208 -0.266 -8.365 1.00 0.00 C ATOM 491 C PRO A 155 -10.093 0.090 -7.382 1.00 0.00 C ATOM 492 O PRO A 155 -9.013 -0.488 -7.449 1.00 0.00 O ATOM 493 CB PRO A 155 -12.292 -1.137 -7.731 1.00 0.00 C ATOM 494 CG PRO A 155 -11.861 -2.556 -8.083 1.00 0.00 C ATOM 495 CD PRO A 155 -11.193 -2.405 -9.445 1.00 0.00 C ATOM 0 HA PRO A 155 -11.632 0.683 -8.693 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -12.345 -0.990 -6.652 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -13.278 -0.906 -8.133 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -11.172 -2.960 -7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -12.714 -3.234 -8.128 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -10.398 -3.139 -9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -11.907 -2.560 -10.253 1.00 0.00 H new ATOM 503 N PRO A 156 -10.341 1.035 -6.467 1.00 0.00 N ATOM 504 CA PRO A 156 -9.327 1.532 -5.552 1.00 0.00 C ATOM 505 C PRO A 156 -8.895 0.443 -4.584 1.00 0.00 C ATOM 506 O PRO A 156 -9.574 0.172 -3.594 1.00 0.00 O ATOM 507 CB PRO A 156 -9.967 2.713 -4.831 1.00 0.00 C ATOM 508 CG PRO A 156 -11.472 2.435 -4.924 1.00 0.00 C ATOM 509 CD PRO A 156 -11.613 1.699 -6.254 1.00 0.00 C ATOM 0 HA PRO A 156 -8.421 1.841 -6.074 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -9.636 2.774 -3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -9.706 3.659 -5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.821 1.827 -4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -12.053 3.357 -4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -12.430 0.979 -6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -11.834 2.393 -7.065 1.00 0.00 H new ATOM 517 N GLN A 157 -7.754 -0.187 -4.871 1.00 0.00 N ATOM 518 CA GLN A 157 -7.198 -1.218 -4.019 1.00 0.00 C ATOM 519 C GLN A 157 -6.732 -0.590 -2.703 1.00 0.00 C ATOM 520 O GLN A 157 -6.454 0.607 -2.651 1.00 0.00 O ATOM 521 CB GLN A 157 -6.016 -1.880 -4.722 1.00 0.00 C ATOM 522 CG GLN A 157 -6.410 -2.401 -6.104 1.00 0.00 C ATOM 523 CD GLN A 157 -7.489 -3.476 -6.047 1.00 0.00 C ATOM 524 OE1 GLN A 157 -7.398 -4.430 -5.276 1.00 0.00 O ATOM 525 NE2 GLN A 157 -8.523 -3.324 -6.874 1.00 0.00 N ATOM 0 H GLN A 157 -7.196 0.009 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 157 -7.958 -1.971 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -5.201 -1.163 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.644 -2.704 -4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -6.765 -1.569 -6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -5.527 -2.805 -6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -8.562 -2.519 -7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -9.275 -4.013 -6.882 1.00 0.00 H new ATOM 534 N PRO A 158 -6.639 -1.383 -1.633 1.00 0.00 N ATOM 535 CA PRO A 158 -6.167 -0.907 -0.353 1.00 0.00 C ATOM 536 C PRO A 158 -4.661 -0.694 -0.423 1.00 0.00 C ATOM 537 O PRO A 158 -3.930 -1.559 -0.905 1.00 0.00 O ATOM 538 CB PRO A 158 -6.536 -2.013 0.637 1.00 0.00 C ATOM 539 CG PRO A 158 -6.520 -3.280 -0.217 1.00 0.00 C ATOM 540 CD PRO A 158 -6.984 -2.788 -1.588 1.00 0.00 C ATOM 0 HA PRO A 158 -6.606 0.045 -0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -5.820 -2.073 1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.516 -1.842 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -5.524 -3.721 -0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -7.188 -4.043 0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.492 -3.339 -2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -8.057 -2.933 -1.714 1.00 0.00 H new ATOM 548 N LYS A 159 -4.205 0.461 0.065 1.00 0.00 N ATOM 549 CA LYS A 159 -2.786 0.786 0.129 1.00 0.00 C ATOM 550 C LYS A 159 -2.070 -0.201 1.048 1.00 0.00 C ATOM 551 O LYS A 159 -2.048 -0.025 2.262 1.00 0.00 O ATOM 552 CB LYS A 159 -2.564 2.241 0.561 1.00 0.00 C ATOM 553 CG LYS A 159 -3.505 2.696 1.677 1.00 0.00 C ATOM 554 CD LYS A 159 -3.102 4.042 2.272 1.00 0.00 C ATOM 555 CE LYS A 159 -2.736 5.052 1.185 1.00 0.00 C ATOM 556 NZ LYS A 159 -2.679 6.419 1.731 1.00 0.00 N ATOM 0 H LYS A 159 -4.813 1.196 0.426 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.358 0.692 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -1.533 2.359 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -2.696 2.892 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.520 2.765 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.518 1.944 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -3.922 4.435 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -2.253 3.905 2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -1.771 4.790 0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -3.471 5.008 0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -2.546 7.098 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -3.567 6.631 2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -1.883 6.494 2.396 1.00 0.00 H new ATOM 570 N LYS A 160 -1.486 -1.244 0.455 1.00 0.00 N ATOM 571 CA LYS A 160 -0.689 -2.223 1.180 1.00 0.00 C ATOM 572 C LYS A 160 0.678 -1.630 1.492 1.00 0.00 C ATOM 573 O LYS A 160 1.120 -0.684 0.830 1.00 0.00 O ATOM 574 CB LYS A 160 -0.495 -3.479 0.326 1.00 0.00 C ATOM 575 CG LYS A 160 -1.779 -4.272 0.115 1.00 0.00 C ATOM 576 CD LYS A 160 -1.673 -5.132 -1.144 1.00 0.00 C ATOM 577 CE LYS A 160 -2.659 -4.581 -2.175 1.00 0.00 C ATOM 578 NZ LYS A 160 -2.577 -5.314 -3.451 1.00 0.00 N ATOM 0 H LYS A 160 -1.556 -1.430 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.207 -2.485 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.091 -3.191 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.246 -4.122 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.969 -4.906 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.625 -3.590 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.657 -5.108 -1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -1.902 -6.173 -0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.673 -4.648 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.453 -3.525 -2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.259 -4.913 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.616 -5.229 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.798 -6.317 -3.290 1.00 0.00 H new ATOM 592 N CYS A 161 1.346 -2.193 2.499 1.00 0.00 N ATOM 593 CA CYS A 161 2.708 -1.845 2.854 1.00 0.00 C ATOM 594 C CYS A 161 3.624 -2.091 1.654 1.00 0.00 C ATOM 595 O CYS A 161 3.630 -3.180 1.083 1.00 0.00 O ATOM 596 CB CYS A 161 3.078 -2.713 4.063 1.00 0.00 C ATOM 597 SG CYS A 161 4.797 -2.482 4.567 1.00 0.00 S ATOM 0 H CYS A 161 0.943 -2.915 3.096 1.00 0.00 H new ATOM 0 HA CYS A 161 2.816 -0.793 3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 161 2.420 -2.470 4.898 1.00 0.00 H new ATOM 0 HB3 CYS A 161 2.910 -3.762 3.820 1.00 0.00 H new ATOM 602 N HIS A 162 4.408 -1.085 1.261 1.00 0.00 N ATOM 603 CA HIS A 162 5.370 -1.202 0.168 1.00 0.00 C ATOM 604 C HIS A 162 6.517 -2.150 0.529 1.00 0.00 C ATOM 605 O HIS A 162 7.491 -2.252 -0.216 1.00 0.00 O ATOM 606 CB HIS A 162 5.960 0.174 -0.154 1.00 0.00 C ATOM 607 CG HIS A 162 4.995 1.151 -0.767 1.00 0.00 C ATOM 608 ND1 HIS A 162 3.951 0.832 -1.635 1.00 0.00 N ATOM 609 CD2 HIS A 162 5.025 2.505 -0.569 1.00 0.00 C ATOM 610 CE1 HIS A 162 3.396 2.010 -1.962 1.00 0.00 C ATOM 611 NE2 HIS A 162 4.009 3.027 -1.336 1.00 0.00 N ATOM 0 H HIS A 162 4.392 -0.162 1.696 1.00 0.00 H new ATOM 0 HA HIS A 162 4.839 -1.603 -0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 162 6.357 0.606 0.764 1.00 0.00 H new ATOM 0 HB3 HIS A 162 6.801 0.042 -0.834 1.00 0.00 H new ATOM 0 HD2 HIS A 162 5.709 3.053 0.062 1.00 0.00 H new ATOM 0 HE1 HIS A 162 2.564 2.125 -2.641 1.00 0.00 H new ATOM 0 HE2 HIS A 162 3.764 4.014 -1.415 1.00 0.00 H new ATOM 619 N PHE A 163 6.414 -2.846 1.667 1.00 0.00 N ATOM 620 CA PHE A 163 7.524 -3.585 2.230 1.00 0.00 C ATOM 621 C PHE A 163 7.158 -5.011 2.613 1.00 0.00 C ATOM 622 O PHE A 163 7.997 -5.902 2.515 1.00 0.00 O ATOM 623 CB PHE A 163 7.933 -2.809 3.466 1.00 0.00 C ATOM 624 CG PHE A 163 9.341 -3.018 3.934 1.00 0.00 C ATOM 625 CD1 PHE A 163 9.666 -4.158 4.684 1.00 0.00 C ATOM 626 CD2 PHE A 163 10.317 -2.060 3.633 1.00 0.00 C ATOM 627 CE1 PHE A 163 10.984 -4.342 5.118 1.00 0.00 C ATOM 628 CE2 PHE A 163 11.630 -2.241 4.080 1.00 0.00 C ATOM 629 CZ PHE A 163 11.966 -3.383 4.814 1.00 0.00 C ATOM 0 H PHE A 163 5.556 -2.906 2.215 1.00 0.00 H new ATOM 0 HA PHE A 163 8.323 -3.677 1.495 1.00 0.00 H new ATOM 0 HB2 PHE A 163 7.790 -1.747 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 163 7.257 -3.075 4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 163 8.906 -4.887 4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 163 10.057 -1.184 3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 163 11.247 -5.222 5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 163 12.383 -1.500 3.859 1.00 0.00 H new ATOM 0 HZ PHE A 163 12.983 -3.529 5.148 1.00 0.00 H new ATOM 639 N CYS A 164 5.911 -5.234 3.045 1.00 0.00 N ATOM 640 CA CYS A 164 5.434 -6.573 3.355 1.00 0.00 C ATOM 641 C CYS A 164 4.056 -6.834 2.745 1.00 0.00 C ATOM 642 O CYS A 164 3.479 -7.904 2.940 1.00 0.00 O ATOM 643 CB CYS A 164 5.387 -6.709 4.867 1.00 0.00 C ATOM 644 SG CYS A 164 4.050 -5.668 5.470 1.00 0.00 S ATOM 0 H CYS A 164 5.218 -4.498 3.186 1.00 0.00 H new ATOM 0 HA CYS A 164 6.110 -7.312 2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 164 5.221 -7.748 5.152 1.00 0.00 H new ATOM 0 HB3 CYS A 164 6.336 -6.405 5.308 1.00 0.00 H new ATOM 649 N GLN A 165 3.533 -5.847 2.014 1.00 0.00 N ATOM 650 CA GLN A 165 2.219 -5.861 1.381 1.00 0.00 C ATOM 651 C GLN A 165 1.071 -6.062 2.371 1.00 0.00 C ATOM 652 O GLN A 165 0.001 -6.527 1.989 1.00 0.00 O ATOM 653 CB GLN A 165 2.189 -6.848 0.212 1.00 0.00 C ATOM 654 CG GLN A 165 3.085 -6.387 -0.940 1.00 0.00 C ATOM 655 CD GLN A 165 4.570 -6.454 -0.604 1.00 0.00 C ATOM 656 OE1 GLN A 165 5.156 -7.536 -0.553 1.00 0.00 O ATOM 657 NE2 GLN A 165 5.194 -5.306 -0.368 1.00 0.00 N ATOM 0 H GLN A 165 4.039 -4.979 1.841 1.00 0.00 H new ATOM 0 HA GLN A 165 2.050 -4.866 0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 165 2.514 -7.830 0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 165 1.165 -6.959 -0.145 1.00 0.00 H new ATOM 0 HG2 GLN A 165 2.888 -7.005 -1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 165 2.825 -5.363 -1.208 1.00 0.00 H new ATOM 0 HE21 GLN A 165 4.680 -4.426 -0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 165 6.187 -5.304 -0.137 1.00 0.00 H new ATOM 666 N SER A 166 1.278 -5.713 3.642 1.00 0.00 N ATOM 667 CA SER A 166 0.227 -5.788 4.646 1.00 0.00 C ATOM 668 C SER A 166 -0.545 -4.470 4.695 1.00 0.00 C ATOM 669 O SER A 166 0.026 -3.437 5.030 1.00 0.00 O ATOM 670 CB SER A 166 0.863 -6.050 6.008 1.00 0.00 C ATOM 671 OG SER A 166 1.514 -7.303 6.007 1.00 0.00 O ATOM 0 H SER A 166 2.172 -5.374 3.997 1.00 0.00 H new ATOM 0 HA SER A 166 -0.461 -6.594 4.391 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.577 -5.261 6.242 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.099 -6.029 6.785 1.00 0.00 H new ATOM 0 HG SER A 166 2.471 -7.174 5.842 1.00 0.00 H new ATOM 677 N ILE A 167 -1.838 -4.505 4.361 1.00 0.00 N ATOM 678 CA ILE A 167 -2.730 -3.356 4.494 1.00 0.00 C ATOM 679 C ILE A 167 -2.941 -2.953 5.947 1.00 0.00 C ATOM 680 O ILE A 167 -3.350 -1.824 6.221 1.00 0.00 O ATOM 681 CB ILE A 167 -4.093 -3.692 3.875 1.00 0.00 C ATOM 682 CG1 ILE A 167 -4.685 -4.935 4.558 1.00 0.00 C ATOM 683 CG2 ILE A 167 -3.913 -3.917 2.383 1.00 0.00 C ATOM 684 CD1 ILE A 167 -5.794 -5.577 3.739 1.00 0.00 C ATOM 0 H ILE A 167 -2.295 -5.337 3.989 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.260 -2.520 3.975 1.00 0.00 H new ATOM 0 HB ILE A 167 -4.789 -2.866 4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -3.893 -5.665 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -5.075 -4.656 5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -4.876 -4.157 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.513 -3.013 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.221 -4.743 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -6.177 -6.450 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -6.601 -4.859 3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.400 -5.883 2.770 1.00 0.00 H new ATOM 696 N SER A 168 -2.665 -3.870 6.872 1.00 0.00 N ATOM 697 CA SER A 168 -2.762 -3.641 8.305 1.00 0.00 C ATOM 698 C SER A 168 -2.056 -2.347 8.705 1.00 0.00 C ATOM 699 O SER A 168 -2.582 -1.559 9.488 1.00 0.00 O ATOM 700 CB SER A 168 -2.238 -4.858 9.056 1.00 0.00 C ATOM 701 OG SER A 168 -0.862 -5.043 8.820 1.00 0.00 O ATOM 0 H SER A 168 -2.361 -4.815 6.636 1.00 0.00 H new ATOM 0 HA SER A 168 -3.808 -3.510 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 168 -2.414 -4.734 10.125 1.00 0.00 H new ATOM 0 HB3 SER A 168 -2.787 -5.746 8.744 1.00 0.00 H new ATOM 0 HG SER A 168 -0.548 -5.829 9.314 1.00 0.00 H new ATOM 707 N HIS A 169 -0.858 -2.139 8.161 1.00 0.00 N ATOM 708 CA HIS A 169 -0.039 -0.963 8.412 1.00 0.00 C ATOM 709 C HIS A 169 0.459 -0.397 7.086 1.00 0.00 C ATOM 710 O HIS A 169 -0.100 -0.675 6.028 1.00 0.00 O ATOM 711 CB HIS A 169 1.131 -1.332 9.331 1.00 0.00 C ATOM 712 CG HIS A 169 1.955 -2.477 8.804 1.00 0.00 C ATOM 713 ND1 HIS A 169 1.885 -3.781 9.231 1.00 0.00 N ATOM 714 CD2 HIS A 169 2.905 -2.424 7.819 1.00 0.00 C ATOM 715 CE1 HIS A 169 2.763 -4.496 8.515 1.00 0.00 C ATOM 716 NE2 HIS A 169 3.422 -3.708 7.644 1.00 0.00 N ATOM 0 H HIS A 169 -0.423 -2.802 7.519 1.00 0.00 H new ATOM 0 HA HIS A 169 -0.634 -0.198 8.911 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.772 -0.460 9.462 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.744 -1.593 10.316 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.273 -4.141 9.963 1.00 0.00 H new ATOM 0 HD2 HIS A 169 3.202 -1.541 7.272 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.921 -5.559 8.622 1.00 0.00 H new ATOM 724 N MET A 170 1.517 0.409 7.152 1.00 0.00 N ATOM 725 CA MET A 170 2.162 1.000 5.995 1.00 0.00 C ATOM 726 C MET A 170 3.651 0.758 6.129 1.00 0.00 C ATOM 727 O MET A 170 4.131 0.488 7.228 1.00 0.00 O ATOM 728 CB MET A 170 1.899 2.507 6.006 1.00 0.00 C ATOM 729 CG MET A 170 0.430 2.870 5.800 1.00 0.00 C ATOM 730 SD MET A 170 -0.052 3.180 4.088 1.00 0.00 S ATOM 731 CE MET A 170 0.165 1.531 3.386 1.00 0.00 C ATOM 0 H MET A 170 1.955 0.672 8.035 1.00 0.00 H new ATOM 0 HA MET A 170 1.782 0.567 5.070 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.237 2.920 6.956 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.495 2.978 5.224 1.00 0.00 H new ATOM 0 HG2 MET A 170 -0.186 2.062 6.193 1.00 0.00 H new ATOM 0 HG3 MET A 170 0.205 3.758 6.390 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.127 1.541 2.336 1.00 0.00 H new ATOM 0 HE2 MET A 170 1.211 1.235 3.469 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.458 0.820 3.928 1.00 0.00 H new ATOM 741 N VAL A 171 4.406 0.850 5.035 1.00 0.00 N ATOM 742 CA VAL A 171 5.853 0.745 5.117 1.00 0.00 C ATOM 743 C VAL A 171 6.385 1.805 6.067 1.00 0.00 C ATOM 744 O VAL A 171 7.465 1.668 6.638 1.00 0.00 O ATOM 745 CB VAL A 171 6.472 0.942 3.736 1.00 0.00 C ATOM 746 CG1 VAL A 171 6.337 2.392 3.295 1.00 0.00 C ATOM 747 CG2 VAL A 171 7.953 0.625 3.778 1.00 0.00 C ATOM 0 H VAL A 171 4.040 0.995 4.094 1.00 0.00 H new ATOM 0 HA VAL A 171 6.118 -0.245 5.487 1.00 0.00 H new ATOM 0 HB VAL A 171 5.952 0.280 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 171 6.783 2.515 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 171 5.282 2.663 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 171 6.849 3.038 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 171 8.384 0.769 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 171 8.447 1.288 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 171 8.095 -0.410 4.088 1.00 0.00 H new ATOM 757 N ALA A 172 5.592 2.871 6.228 1.00 0.00 N ATOM 758 CA ALA A 172 5.925 3.958 7.114 1.00 0.00 C ATOM 759 C ALA A 172 5.949 3.498 8.566 1.00 0.00 C ATOM 760 O ALA A 172 6.358 4.237 9.457 1.00 0.00 O ATOM 761 CB ALA A 172 4.884 5.054 6.939 1.00 0.00 C ATOM 0 H ALA A 172 4.704 2.990 5.741 1.00 0.00 H new ATOM 0 HA ALA A 172 6.920 4.329 6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.118 5.887 7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 172 4.890 5.400 5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 172 3.897 4.661 7.185 1.00 0.00 H new ATOM 767 N SER A 173 5.503 2.262 8.790 1.00 0.00 N ATOM 768 CA SER A 173 5.404 1.654 10.104 1.00 0.00 C ATOM 769 C SER A 173 5.713 0.158 10.048 1.00 0.00 C ATOM 770 O SER A 173 5.482 -0.540 11.036 1.00 0.00 O ATOM 771 CB SER A 173 3.983 1.834 10.623 1.00 0.00 C ATOM 772 OG SER A 173 3.984 1.845 12.034 1.00 0.00 O ATOM 0 H SER A 173 5.194 1.645 8.039 1.00 0.00 H new ATOM 0 HA SER A 173 6.128 2.136 10.761 1.00 0.00 H new ATOM 0 HB2 SER A 173 3.564 2.766 10.244 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.348 1.027 10.258 1.00 0.00 H new ATOM 0 HG SER A 173 4.476 1.065 12.367 1.00 0.00 H new ATOM 778 N CYS A 174 6.224 -0.340 8.911 1.00 0.00 N ATOM 779 CA CYS A 174 6.401 -1.781 8.749 1.00 0.00 C ATOM 780 C CYS A 174 7.137 -2.374 9.952 1.00 0.00 C ATOM 781 O CYS A 174 8.186 -1.865 10.348 1.00 0.00 O ATOM 782 CB CYS A 174 7.130 -2.115 7.443 1.00 0.00 C ATOM 783 SG CYS A 174 6.876 -3.871 7.072 1.00 0.00 S ATOM 0 H CYS A 174 6.514 0.223 8.111 1.00 0.00 H new ATOM 0 HA CYS A 174 5.410 -2.233 8.696 1.00 0.00 H new ATOM 0 HB2 CYS A 174 6.750 -1.498 6.629 1.00 0.00 H new ATOM 0 HB3 CYS A 174 8.194 -1.898 7.538 1.00 0.00 H new ATOM 788 N PRO A 175 6.605 -3.448 10.545 1.00 0.00 N ATOM 789 CA PRO A 175 7.209 -4.100 11.688 1.00 0.00 C ATOM 790 C PRO A 175 8.462 -4.851 11.254 1.00 0.00 C ATOM 791 O PRO A 175 9.274 -5.234 12.097 1.00 0.00 O ATOM 792 CB PRO A 175 6.145 -5.072 12.185 1.00 0.00 C ATOM 793 CG PRO A 175 5.390 -5.429 10.908 1.00 0.00 C ATOM 794 CD PRO A 175 5.385 -4.116 10.147 1.00 0.00 C ATOM 0 HA PRO A 175 7.512 -3.396 12.463 1.00 0.00 H new ATOM 0 HB2 PRO A 175 6.588 -5.952 12.653 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.491 -4.612 12.926 1.00 0.00 H new ATOM 0 HG2 PRO A 175 5.891 -6.219 10.349 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.379 -5.779 11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 175 5.360 -4.284 9.070 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.508 -3.518 10.397 1.00 0.00 H new ATOM 802 N LEU A 176 8.621 -5.067 9.947 1.00 0.00 N ATOM 803 CA LEU A 176 9.772 -5.785 9.440 1.00 0.00 C ATOM 804 C LEU A 176 10.949 -4.840 9.319 1.00 0.00 C ATOM 805 O LEU A 176 12.004 -5.107 9.878 1.00 0.00 O ATOM 806 CB LEU A 176 9.455 -6.368 8.069 1.00 0.00 C ATOM 807 CG LEU A 176 8.174 -7.197 8.066 1.00 0.00 C ATOM 808 CD1 LEU A 176 7.990 -7.795 6.680 1.00 0.00 C ATOM 809 CD2 LEU A 176 8.272 -8.319 9.092 1.00 0.00 C ATOM 0 H LEU A 176 7.966 -4.753 9.231 1.00 0.00 H new ATOM 0 HA LEU A 176 10.019 -6.592 10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 176 9.360 -5.557 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 176 10.287 -6.991 7.742 1.00 0.00 H new ATOM 0 HG LEU A 176 7.326 -6.562 8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 176 7.078 -8.392 6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.916 -6.994 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.844 -8.429 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 176 7.352 -8.904 9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.115 -8.964 8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.419 -7.893 10.084 1.00 0.00 H new ATOM 821 N LYS A 177 10.778 -3.731 8.587 1.00 0.00 N ATOM 822 CA LYS A 177 11.882 -2.829 8.297 1.00 0.00 C ATOM 823 C LYS A 177 12.562 -2.342 9.566 1.00 0.00 C ATOM 824 O LYS A 177 13.696 -1.877 9.523 1.00 0.00 O ATOM 825 CB LYS A 177 11.391 -1.661 7.447 1.00 0.00 C ATOM 826 CG LYS A 177 10.633 -0.649 8.293 1.00 0.00 C ATOM 827 CD LYS A 177 10.212 0.550 7.445 1.00 0.00 C ATOM 828 CE LYS A 177 11.400 1.407 7.006 1.00 0.00 C ATOM 829 NZ LYS A 177 11.930 2.213 8.119 1.00 0.00 N ATOM 0 H LYS A 177 9.884 -3.444 8.189 1.00 0.00 H new ATOM 0 HA LYS A 177 12.633 -3.381 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 177 12.240 -1.175 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 177 10.744 -2.032 6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 177 9.752 -1.119 8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 177 11.260 -0.315 9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 177 9.678 0.197 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 177 9.515 1.166 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 177 12.188 0.764 6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 177 11.093 2.066 6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 12.755 2.755 7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 11.195 2.868 8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 12.214 1.585 8.898 1.00 0.00 H new ATOM 843 N ALA A 178 11.869 -2.456 10.701 1.00 0.00 N ATOM 844 CA ALA A 178 12.420 -2.079 11.986 1.00 0.00 C ATOM 845 C ALA A 178 13.660 -2.905 12.334 1.00 0.00 C ATOM 846 O ALA A 178 14.387 -2.583 13.275 1.00 0.00 O ATOM 847 CB ALA A 178 11.341 -2.311 13.039 1.00 0.00 C ATOM 0 H ALA A 178 10.914 -2.812 10.746 1.00 0.00 H new ATOM 0 HA ALA A 178 12.725 -1.033 11.953 1.00 0.00 H new ATOM 0 HB1 ALA A 178 11.726 -2.036 14.021 1.00 0.00 H new ATOM 0 HB2 ALA A 178 10.469 -1.700 12.807 1.00 0.00 H new ATOM 0 HB3 ALA A 178 11.056 -3.363 13.043 1.00 0.00 H new ATOM 853 N GLN A 179 13.899 -3.972 11.573 1.00 0.00 N ATOM 854 CA GLN A 179 15.051 -4.844 11.721 1.00 0.00 C ATOM 855 C GLN A 179 15.576 -5.279 10.352 1.00 0.00 C ATOM 856 O GLN A 179 16.422 -6.165 10.279 1.00 0.00 O ATOM 857 CB GLN A 179 14.662 -6.046 12.587 1.00 0.00 C ATOM 858 CG GLN A 179 13.836 -7.062 11.798 1.00 0.00 C ATOM 859 CD GLN A 179 12.744 -7.695 12.652 1.00 0.00 C ATOM 860 OE1 GLN A 179 12.981 -8.100 13.787 1.00 0.00 O ATOM 861 NE2 GLN A 179 11.534 -7.783 12.107 1.00 0.00 N ATOM 0 H GLN A 179 13.276 -4.257 10.817 1.00 0.00 H new ATOM 0 HA GLN A 179 15.859 -4.306 12.217 1.00 0.00 H new ATOM 0 HB2 GLN A 179 15.562 -6.526 12.970 1.00 0.00 H new ATOM 0 HB3 GLN A 179 14.092 -5.704 13.451 1.00 0.00 H new ATOM 0 HG2 GLN A 179 13.384 -6.571 10.936 1.00 0.00 H new ATOM 0 HG3 GLN A 179 14.493 -7.842 11.412 1.00 0.00 H new ATOM 0 HE21 GLN A 179 11.374 -7.436 11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.766 -8.198 12.635 1.00 0.00 H new ATOM 870 N GLN A 180 15.084 -4.664 9.265 1.00 0.00 N ATOM 871 CA GLN A 180 15.550 -4.978 7.916 1.00 0.00 C ATOM 872 C GLN A 180 16.066 -3.733 7.198 1.00 0.00 C ATOM 873 O GLN A 180 16.807 -3.850 6.225 1.00 0.00 O ATOM 874 CB GLN A 180 14.421 -5.566 7.061 1.00 0.00 C ATOM 875 CG GLN A 180 13.516 -6.562 7.775 1.00 0.00 C ATOM 876 CD GLN A 180 13.281 -7.808 6.930 1.00 0.00 C ATOM 877 OE1 GLN A 180 12.207 -7.986 6.368 1.00 0.00 O ATOM 878 NE2 GLN A 180 14.285 -8.676 6.837 1.00 0.00 N ATOM 0 H GLN A 180 14.361 -3.945 9.300 1.00 0.00 H new ATOM 0 HA GLN A 180 16.355 -5.704 8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 180 13.808 -4.747 6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 180 14.862 -6.058 6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 180 13.965 -6.846 8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 180 12.560 -6.089 8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 180 15.164 -8.492 7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 180 14.175 -9.525 6.283 1.00 0.00 H new ATOM 887 N GLY A 181 15.677 -2.548 7.674 1.00 0.00 N ATOM 888 CA GLY A 181 16.062 -1.292 7.047 1.00 0.00 C ATOM 889 C GLY A 181 15.458 -0.095 7.774 1.00 0.00 C ATOM 890 O GLY A 181 14.698 0.667 7.170 1.00 0.00 O ATOM 0 H GLY A 181 15.090 -2.437 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 181 17.149 -1.205 7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 181 15.737 -1.289 6.007 1.00 0.00 H new ATOM 894 N PRO A 182 15.772 0.092 9.062 1.00 0.00 N ATOM 895 CA PRO A 182 15.238 1.170 9.882 1.00 0.00 C ATOM 896 C PRO A 182 15.836 2.529 9.511 1.00 0.00 C ATOM 897 O PRO A 182 15.477 3.537 10.123 1.00 0.00 O ATOM 898 CB PRO A 182 15.616 0.794 11.313 1.00 0.00 C ATOM 899 CG PRO A 182 16.918 0.018 11.132 1.00 0.00 C ATOM 900 CD PRO A 182 16.686 -0.736 9.826 1.00 0.00 C ATOM 0 HA PRO A 182 14.162 1.276 9.741 1.00 0.00 H new ATOM 0 HB2 PRO A 182 15.755 1.676 11.938 1.00 0.00 H new ATOM 0 HB3 PRO A 182 14.846 0.185 11.787 1.00 0.00 H new ATOM 0 HG2 PRO A 182 17.779 0.683 11.067 1.00 0.00 H new ATOM 0 HG3 PRO A 182 17.102 -0.662 11.964 1.00 0.00 H new ATOM 0 HD2 PRO A 182 17.622 -0.888 9.288 1.00 0.00 H new ATOM 0 HD3 PRO A 182 16.261 -1.722 10.012 1.00 0.00 H new ATOM 908 N SER A 183 16.737 2.562 8.516 1.00 0.00 N ATOM 909 CA SER A 183 17.482 3.750 8.127 1.00 0.00 C ATOM 910 C SER A 183 18.360 4.250 9.269 1.00 0.00 C ATOM 911 O SER A 183 18.340 3.686 10.362 1.00 0.00 O ATOM 912 CB SER A 183 16.521 4.822 7.604 1.00 0.00 C ATOM 913 OG SER A 183 17.248 5.841 6.954 1.00 0.00 O ATOM 0 H SER A 183 16.966 1.742 7.954 1.00 0.00 H new ATOM 0 HA SER A 183 18.161 3.495 7.314 1.00 0.00 H new ATOM 0 HB2 SER A 183 15.806 4.376 6.913 1.00 0.00 H new ATOM 0 HB3 SER A 183 15.947 5.243 8.430 1.00 0.00 H new ATOM 0 HG SER A 183 16.628 6.523 6.620 1.00 0.00 H new ATOM 919 N ALA A 184 19.136 5.310 9.021 1.00 0.00 N ATOM 920 CA ALA A 184 20.071 5.866 9.986 1.00 0.00 C ATOM 921 C ALA A 184 20.985 4.808 10.621 1.00 0.00 C ATOM 922 O ALA A 184 21.505 5.019 11.718 1.00 0.00 O ATOM 923 CB ALA A 184 19.281 6.655 11.028 1.00 0.00 C ATOM 0 H ALA A 184 19.127 5.808 8.131 1.00 0.00 H new ATOM 0 HA ALA A 184 20.754 6.536 9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 184 19.968 7.079 11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 184 18.732 7.459 10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 184 18.578 5.991 11.531 1.00 0.00 H new ATOM 929 N GLN A 185 21.183 3.673 9.945 1.00 0.00 N ATOM 930 CA GLN A 185 22.015 2.577 10.432 1.00 0.00 C ATOM 931 C GLN A 185 22.765 1.905 9.281 1.00 0.00 C ATOM 932 O GLN A 185 23.397 0.868 9.476 1.00 0.00 O ATOM 933 CB GLN A 185 21.145 1.541 11.149 1.00 0.00 C ATOM 934 CG GLN A 185 20.499 2.102 12.418 1.00 0.00 C ATOM 935 CD GLN A 185 19.653 1.040 13.107 1.00 0.00 C ATOM 936 OE1 GLN A 185 19.998 -0.140 13.110 1.00 0.00 O ATOM 937 NE2 GLN A 185 18.537 1.448 13.699 1.00 0.00 N ATOM 0 H GLN A 185 20.764 3.490 9.033 1.00 0.00 H new ATOM 0 HA GLN A 185 22.745 2.989 11.129 1.00 0.00 H new ATOM 0 HB2 GLN A 185 20.366 1.193 10.471 1.00 0.00 H new ATOM 0 HB3 GLN A 185 21.754 0.675 11.407 1.00 0.00 H new ATOM 0 HG2 GLN A 185 21.272 2.456 13.099 1.00 0.00 H new ATOM 0 HG3 GLN A 185 19.878 2.962 12.166 1.00 0.00 H new ATOM 0 HE21 GLN A 185 18.280 2.435 13.678 1.00 0.00 H new ATOM 0 HE22 GLN A 185 17.937 0.775 14.175 1.00 0.00 H new ATOM 946 N GLY A 186 22.696 2.493 8.086 1.00 0.00 N ATOM 947 CA GLY A 186 23.331 1.964 6.883 1.00 0.00 C ATOM 948 C GLY A 186 23.003 2.834 5.682 1.00 0.00 C ATOM 949 O GLY A 186 23.355 4.034 5.733 1.00 0.00 O ATOM 950 OXT GLY A 186 22.401 2.296 4.726 1.00 0.00 O ATOM 0 H GLY A 186 22.189 3.364 7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 186 24.411 1.920 7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 186 22.992 0.944 6.704 1.00 0.00 H new TER 954 GLY A 186 ATOM 955 O5' A B 1 10.733 6.906 6.100 1.00 0.00 O ATOM 956 C5' A B 1 9.391 6.500 5.954 1.00 0.00 C ATOM 957 C4' A B 1 8.719 7.292 4.834 1.00 0.00 C ATOM 958 O4' A B 1 9.213 6.870 3.564 1.00 0.00 O ATOM 959 C3' A B 1 7.217 7.036 4.875 1.00 0.00 C ATOM 960 O3' A B 1 6.589 8.183 4.330 1.00 0.00 O ATOM 961 C2' A B 1 7.133 5.839 3.948 1.00 0.00 C ATOM 962 O2' A B 1 5.869 5.690 3.357 1.00 0.00 O ATOM 963 C1' A B 1 8.108 6.302 2.895 1.00 0.00 C ATOM 964 N9 A B 1 8.371 5.270 1.882 1.00 0.00 N ATOM 965 C8 A B 1 7.827 5.238 0.627 1.00 0.00 C ATOM 966 N7 A B 1 8.155 4.189 -0.074 1.00 0.00 N ATOM 967 C5 A B 1 8.962 3.457 0.794 1.00 0.00 C ATOM 968 C6 A B 1 9.646 2.237 0.664 1.00 0.00 C ATOM 969 N6 A B 1 9.632 1.503 -0.446 1.00 0.00 N ATOM 970 N1 A B 1 10.344 1.783 1.707 1.00 0.00 N ATOM 971 C2 A B 1 10.365 2.494 2.827 1.00 0.00 C ATOM 972 N3 A B 1 9.769 3.653 3.085 1.00 0.00 N ATOM 973 C4 A B 1 9.073 4.088 2.006 1.00 0.00 C ATOM 0 H5' A B 1 8.854 6.652 6.890 1.00 0.00 H new ATOM 0 H5'' A B 1 9.348 5.434 5.732 1.00 0.00 H new ATOM 0 H4' A B 1 8.934 8.351 4.974 1.00 0.00 H new ATOM 0 H3' A B 1 6.755 6.857 5.846 1.00 0.00 H new ATOM 0 H2' A B 1 7.325 4.884 4.438 1.00 0.00 H new ATOM 0 HO2' A B 1 5.284 5.184 3.959 1.00 0.00 H new ATOM 0 HO5' A B 1 11.153 6.393 6.821 1.00 0.00 H new ATOM 0 H1' A B 1 7.697 7.092 2.266 1.00 0.00 H new ATOM 0 H8 A B 1 7.180 6.016 0.249 1.00 0.00 H new ATOM 0 H61 A B 1 10.148 0.624 -0.483 1.00 0.00 H new ATOM 0 H62 A B 1 9.105 1.819 -1.260 1.00 0.00 H new ATOM 0 H2 A B 1 10.944 2.075 3.637 1.00 0.00 H new ATOM 986 P G B 2 5.316 8.855 5.032 1.00 0.00 P ATOM 987 OP1 G B 2 5.504 10.318 4.980 1.00 0.00 O ATOM 988 OP2 G B 2 5.102 8.207 6.339 1.00 0.00 O ATOM 989 O5' G B 2 4.072 8.470 4.087 1.00 0.00 O ATOM 990 C5' G B 2 3.576 9.374 3.120 1.00 0.00 C ATOM 991 C4' G B 2 2.165 8.973 2.667 1.00 0.00 C ATOM 992 O4' G B 2 2.179 7.859 1.788 1.00 0.00 O ATOM 993 C3' G B 2 1.291 8.629 3.878 1.00 0.00 C ATOM 994 O3' G B 2 0.265 9.558 4.199 1.00 0.00 O ATOM 995 C2' G B 2 0.685 7.263 3.578 1.00 0.00 C ATOM 996 O2' G B 2 -0.711 7.334 3.389 1.00 0.00 O ATOM 997 C1' G B 2 1.367 6.810 2.294 1.00 0.00 C ATOM 998 N9 G B 2 2.197 5.621 2.549 1.00 0.00 N ATOM 999 C8 G B 2 3.204 5.441 3.464 1.00 0.00 C ATOM 1000 N7 G B 2 3.647 4.217 3.511 1.00 0.00 N ATOM 1001 C5 G B 2 2.951 3.559 2.506 1.00 0.00 C ATOM 1002 C6 G B 2 3.052 2.216 2.049 1.00 0.00 C ATOM 1003 O6 G B 2 3.755 1.302 2.465 1.00 0.00 O ATOM 1004 N1 G B 2 2.217 1.963 0.982 1.00 0.00 N ATOM 1005 C2 G B 2 1.361 2.880 0.426 1.00 0.00 C ATOM 1006 N2 G B 2 0.614 2.466 -0.589 1.00 0.00 N ATOM 1007 N3 G B 2 1.248 4.144 0.855 1.00 0.00 N ATOM 1008 C4 G B 2 2.078 4.420 1.894 1.00 0.00 C ATOM 0 H5' G B 2 4.246 9.396 2.260 1.00 0.00 H new ATOM 0 H5'' G B 2 3.556 10.382 3.535 1.00 0.00 H new ATOM 0 H4' G B 2 1.754 9.830 2.133 1.00 0.00 H new ATOM 0 H3' G B 2 1.929 8.650 4.762 1.00 0.00 H new ATOM 0 H2' G B 2 0.838 6.573 4.408 1.00 0.00 H new ATOM 0 HO2' G B 2 -1.166 6.905 4.144 1.00 0.00 H new ATOM 0 H1' G B 2 0.602 6.556 1.560 1.00 0.00 H new ATOM 0 H8 G B 2 3.591 6.236 4.084 1.00 0.00 H new ATOM 0 H1 G B 2 2.237 1.027 0.577 1.00 0.00 H new ATOM 0 H21 G B 2 -0.039 3.109 -1.037 1.00 0.00 H new ATOM 0 H22 G B 2 0.692 1.505 -0.921 1.00 0.00 H new ATOM 1020 P G B 3 -0.499 10.479 3.114 1.00 0.00 P ATOM 1021 OP1 G B 3 0.373 11.634 2.807 1.00 0.00 O ATOM 1022 OP2 G B 3 -1.860 10.720 3.643 1.00 0.00 O ATOM 1023 O5' G B 3 -0.646 9.615 1.767 1.00 0.00 O ATOM 1024 C5' G B 3 -1.325 10.142 0.646 1.00 0.00 C ATOM 1025 C4' G B 3 -1.114 9.230 -0.564 1.00 0.00 C ATOM 1026 O4' G B 3 -1.804 8.004 -0.382 1.00 0.00 O ATOM 1027 C3' G B 3 -1.653 9.853 -1.859 1.00 0.00 C ATOM 1028 O3' G B 3 -0.660 9.781 -2.857 1.00 0.00 O ATOM 1029 C2' G B 3 -2.783 8.910 -2.250 1.00 0.00 C ATOM 1030 O2' G B 3 -2.924 8.824 -3.655 1.00 0.00 O ATOM 1031 C1' G B 3 -2.284 7.607 -1.645 1.00 0.00 C ATOM 1032 N9 G B 3 -3.342 6.583 -1.547 1.00 0.00 N ATOM 1033 C8 G B 3 -3.332 5.318 -2.075 1.00 0.00 C ATOM 1034 N7 G B 3 -4.406 4.624 -1.809 1.00 0.00 N ATOM 1035 C5 G B 3 -5.197 5.493 -1.064 1.00 0.00 C ATOM 1036 C6 G B 3 -6.474 5.291 -0.459 1.00 0.00 C ATOM 1037 O6 G B 3 -7.169 4.276 -0.458 1.00 0.00 O ATOM 1038 N1 G B 3 -6.924 6.426 0.191 1.00 0.00 N ATOM 1039 C2 G B 3 -6.227 7.605 0.283 1.00 0.00 C ATOM 1040 N2 G B 3 -6.823 8.594 0.945 1.00 0.00 N ATOM 1041 N3 G B 3 -5.017 7.794 -0.250 1.00 0.00 N ATOM 1042 C4 G B 3 -4.563 6.702 -0.911 1.00 0.00 C ATOM 0 H5' G B 3 -0.958 11.145 0.426 1.00 0.00 H new ATOM 0 H5'' G B 3 -2.389 10.232 0.863 1.00 0.00 H new ATOM 0 H4' G B 3 -0.038 9.078 -0.647 1.00 0.00 H new ATOM 0 H3' G B 3 -1.956 10.893 -1.742 1.00 0.00 H new ATOM 0 H2' G B 3 -3.771 9.214 -1.905 1.00 0.00 H new ATOM 0 HO2' G B 3 -3.662 9.399 -3.945 1.00 0.00 H new ATOM 0 H1' G B 3 -1.522 7.125 -2.257 1.00 0.00 H new ATOM 0 H8 G B 3 -2.510 4.930 -2.658 1.00 0.00 H new ATOM 0 H1 G B 3 -7.841 6.384 0.635 1.00 0.00 H new ATOM 0 H21 G B 3 -6.355 9.494 1.047 1.00 0.00 H new ATOM 0 H22 G B 3 -7.748 8.451 1.350 1.00 0.00 H new ATOM 1054 P A B 4 0.456 10.922 -3.011 1.00 0.00 P ATOM 1055 OP1 A B 4 1.782 10.318 -2.763 1.00 0.00 O ATOM 1056 OP2 A B 4 0.035 12.109 -2.236 1.00 0.00 O ATOM 1057 O5' A B 4 0.346 11.282 -4.571 1.00 0.00 O ATOM 1058 C5' A B 4 -0.682 12.119 -5.059 1.00 0.00 C ATOM 1059 C4' A B 4 -0.694 12.068 -6.594 1.00 0.00 C ATOM 1060 O4' A B 4 -1.455 10.961 -7.052 1.00 0.00 O ATOM 1061 C3' A B 4 -1.334 13.323 -7.181 1.00 0.00 C ATOM 1062 O3' A B 4 -0.693 13.567 -8.420 1.00 0.00 O ATOM 1063 C2' A B 4 -2.788 12.904 -7.325 1.00 0.00 C ATOM 1064 O2' A B 4 -3.498 13.595 -8.334 1.00 0.00 O ATOM 1065 C1' A B 4 -2.681 11.413 -7.603 1.00 0.00 C ATOM 1066 N9 A B 4 -3.829 10.749 -6.969 1.00 0.00 N ATOM 1067 C8 A B 4 -4.101 10.633 -5.631 1.00 0.00 C ATOM 1068 N7 A B 4 -5.210 9.998 -5.372 1.00 0.00 N ATOM 1069 C5 A B 4 -5.708 9.669 -6.631 1.00 0.00 C ATOM 1070 C6 A B 4 -6.859 8.994 -7.068 1.00 0.00 C ATOM 1071 N6 A B 4 -7.764 8.467 -6.244 1.00 0.00 N ATOM 1072 N1 A B 4 -7.072 8.872 -8.384 1.00 0.00 N ATOM 1073 C2 A B 4 -6.183 9.381 -9.220 1.00 0.00 C ATOM 1074 N3 A B 4 -5.056 10.032 -8.951 1.00 0.00 N ATOM 1075 C4 A B 4 -4.872 10.137 -7.614 1.00 0.00 C ATOM 0 H5' A B 4 -0.525 13.143 -4.719 1.00 0.00 H new ATOM 0 H5'' A B 4 -1.646 11.797 -4.666 1.00 0.00 H new ATOM 0 H4' A B 4 0.345 11.985 -6.914 1.00 0.00 H new ATOM 0 H3' A B 4 -1.250 14.242 -6.600 1.00 0.00 H new ATOM 0 H2' A B 4 -3.370 13.144 -6.435 1.00 0.00 H new ATOM 0 HO2' A B 4 -4.422 13.269 -8.366 1.00 0.00 H new ATOM 0 H1' A B 4 -2.695 11.189 -8.670 1.00 0.00 H new ATOM 0 H8 A B 4 -3.456 11.031 -4.862 1.00 0.00 H new ATOM 0 H61 A B 4 -8.581 7.988 -6.623 1.00 0.00 H new ATOM 0 H62 A B 4 -7.640 8.543 -5.234 1.00 0.00 H new ATOM 0 H2 A B 4 -6.404 9.249 -10.269 1.00 0.00 H new ATOM 1087 P G B 5 -0.941 14.908 -9.258 1.00 0.00 P ATOM 1088 OP1 G B 5 -1.006 16.041 -8.315 1.00 0.00 O ATOM 1089 OP2 G B 5 -2.057 14.652 -10.192 1.00 0.00 O ATOM 1090 O5' G B 5 0.408 15.038 -10.118 1.00 0.00 O ATOM 1091 C5' G B 5 1.611 15.464 -9.520 1.00 0.00 C ATOM 1092 C4' G B 5 2.731 14.484 -9.855 1.00 0.00 C ATOM 1093 O4' G B 5 2.435 13.232 -9.263 1.00 0.00 O ATOM 1094 C3' G B 5 2.885 14.293 -11.364 1.00 0.00 C ATOM 1095 O3' G B 5 4.251 14.353 -11.735 1.00 0.00 O ATOM 1096 C2' G B 5 2.313 12.896 -11.589 1.00 0.00 C ATOM 1097 O2' G B 5 2.979 12.198 -12.624 1.00 0.00 O ATOM 1098 C1' G B 5 2.492 12.205 -10.239 1.00 0.00 C ATOM 1099 N9 G B 5 1.403 11.236 -10.005 1.00 0.00 N ATOM 1100 C8 G B 5 0.054 11.373 -10.220 1.00 0.00 C ATOM 1101 N7 G B 5 -0.653 10.320 -9.910 1.00 0.00 N ATOM 1102 C5 G B 5 0.298 9.409 -9.456 1.00 0.00 C ATOM 1103 C6 G B 5 0.139 8.090 -8.941 1.00 0.00 C ATOM 1104 O6 G B 5 -0.892 7.436 -8.791 1.00 0.00 O ATOM 1105 N1 G B 5 1.350 7.527 -8.578 1.00 0.00 N ATOM 1106 C2 G B 5 2.568 8.114 -8.774 1.00 0.00 C ATOM 1107 N2 G B 5 3.631 7.379 -8.477 1.00 0.00 N ATOM 1108 N3 G B 5 2.739 9.357 -9.239 1.00 0.00 N ATOM 1109 C4 G B 5 1.558 9.950 -9.551 1.00 0.00 C ATOM 0 H5' G B 5 1.486 15.532 -8.439 1.00 0.00 H new ATOM 0 H5'' G B 5 1.870 16.462 -9.874 1.00 0.00 H new ATOM 0 H4' G B 5 3.665 14.890 -9.468 1.00 0.00 H new ATOM 0 H3' G B 5 2.384 15.059 -11.956 1.00 0.00 H new ATOM 0 H2' G B 5 1.273 12.929 -11.913 1.00 0.00 H new ATOM 0 HO2' G B 5 3.797 12.679 -12.869 1.00 0.00 H new ATOM 0 H1' G B 5 3.434 11.657 -10.200 1.00 0.00 H new ATOM 0 H8 G B 5 -0.386 12.277 -10.613 1.00 0.00 H new ATOM 0 H1 G B 5 1.332 6.609 -8.133 1.00 0.00 H new ATOM 0 H21 G B 5 4.568 7.763 -8.602 1.00 0.00 H new ATOM 0 H22 G B 5 3.512 6.430 -8.123 1.00 0.00 H new ATOM 1121 P A B 6 5.028 15.760 -11.757 1.00 0.00 P ATOM 1122 OP1 A B 6 4.044 16.840 -11.993 1.00 0.00 O ATOM 1123 OP2 A B 6 6.191 15.625 -12.659 1.00 0.00 O ATOM 1124 O5' A B 6 5.578 15.923 -10.258 1.00 0.00 O ATOM 1125 C5' A B 6 6.638 15.113 -9.792 1.00 0.00 C ATOM 1126 C4' A B 6 7.055 15.527 -8.382 1.00 0.00 C ATOM 1127 O4' A B 6 8.105 14.670 -7.965 1.00 0.00 O ATOM 1128 C3' A B 6 7.585 16.958 -8.341 1.00 0.00 C ATOM 1129 O3' A B 6 7.405 17.464 -7.033 1.00 0.00 O ATOM 1130 C2' A B 6 9.049 16.723 -8.667 1.00 0.00 C ATOM 1131 O2' A B 6 9.896 17.768 -8.241 1.00 0.00 O ATOM 1132 C1' A B 6 9.294 15.428 -7.901 1.00 0.00 C ATOM 1133 N9 A B 6 10.440 14.694 -8.473 1.00 0.00 N ATOM 1134 C8 A B 6 10.475 13.907 -9.595 1.00 0.00 C ATOM 1135 N7 A B 6 11.665 13.442 -9.876 1.00 0.00 N ATOM 1136 C5 A B 6 12.466 13.944 -8.849 1.00 0.00 C ATOM 1137 C6 A B 6 13.840 13.841 -8.550 1.00 0.00 C ATOM 1138 N6 A B 6 14.719 13.159 -9.290 1.00 0.00 N ATOM 1139 N1 A B 6 14.302 14.470 -7.460 1.00 0.00 N ATOM 1140 C2 A B 6 13.456 15.155 -6.708 1.00 0.00 C ATOM 1141 N3 A B 6 12.152 15.333 -6.869 1.00 0.00 N ATOM 1142 C4 A B 6 11.718 14.691 -7.979 1.00 0.00 C ATOM 0 H5' A B 6 7.490 15.196 -10.467 1.00 0.00 H new ATOM 0 H5'' A B 6 6.331 14.067 -9.793 1.00 0.00 H new ATOM 0 H4' A B 6 6.180 15.460 -7.735 1.00 0.00 H new ATOM 0 H3' A B 6 7.107 17.675 -9.008 1.00 0.00 H new ATOM 0 H2' A B 6 9.262 16.675 -9.735 1.00 0.00 H new ATOM 0 HO2' A B 6 9.382 18.600 -8.175 1.00 0.00 H new ATOM 0 H1' A B 6 9.546 15.633 -6.861 1.00 0.00 H new ATOM 0 H8 A B 6 9.601 13.691 -10.192 1.00 0.00 H new ATOM 0 H61 A B 6 15.701 13.126 -9.015 1.00 0.00 H new ATOM 0 H62 A B 6 14.408 12.671 -10.130 1.00 0.00 H new ATOM 0 H2 A B 6 13.888 15.636 -5.843 1.00 0.00 H new ATOM 1154 P U B 7 7.265 19.041 -6.763 1.00 0.00 P ATOM 1155 OP1 U B 7 5.941 19.474 -7.262 1.00 0.00 O ATOM 1156 OP2 U B 7 8.482 19.722 -7.252 1.00 0.00 O ATOM 1157 O5' U B 7 7.233 19.113 -5.155 1.00 0.00 O ATOM 1158 C5' U B 7 8.281 18.573 -4.373 1.00 0.00 C ATOM 1159 C4' U B 7 9.468 19.545 -4.267 1.00 0.00 C ATOM 1160 O4' U B 7 10.066 19.381 -2.994 1.00 0.00 O ATOM 1161 C3' U B 7 10.569 19.266 -5.297 1.00 0.00 C ATOM 1162 O3' U B 7 10.923 20.442 -5.992 1.00 0.00 O ATOM 1163 C2' U B 7 11.759 18.803 -4.455 1.00 0.00 C ATOM 1164 O2' U B 7 12.653 19.865 -4.194 1.00 0.00 O ATOM 1165 C1' U B 7 11.102 18.423 -3.131 1.00 0.00 C ATOM 1166 N1 U B 7 10.549 17.048 -3.094 1.00 0.00 N ATOM 1167 C2 U B 7 10.057 16.608 -1.869 1.00 0.00 C ATOM 1168 O2 U B 7 10.059 17.319 -0.865 1.00 0.00 O ATOM 1169 N3 U B 7 9.551 15.319 -1.829 1.00 0.00 N ATOM 1170 C4 U B 7 9.524 14.431 -2.880 1.00 0.00 C ATOM 1171 O4 U B 7 9.084 13.296 -2.723 1.00 0.00 O ATOM 1172 C5 U B 7 10.048 14.962 -4.117 1.00 0.00 C ATOM 1173 C6 U B 7 10.527 16.225 -4.193 1.00 0.00 C ATOM 0 H5' U B 7 8.617 17.634 -4.813 1.00 0.00 H new ATOM 0 H5'' U B 7 7.909 18.342 -3.375 1.00 0.00 H new ATOM 0 H4' U B 7 9.071 20.546 -4.437 1.00 0.00 H new ATOM 0 H3' U B 7 10.251 18.538 -6.043 1.00 0.00 H new ATOM 0 H2' U B 7 12.324 18.012 -4.948 1.00 0.00 H new ATOM 0 HO2' U B 7 12.492 20.592 -4.831 1.00 0.00 H new ATOM 0 HO3' U B 7 10.235 20.647 -6.659 1.00 0.00 H new ATOM 0 H1' U B 7 11.832 18.426 -2.322 1.00 0.00 H new ATOM 0 H3 U B 7 9.164 15.000 -0.941 1.00 0.00 H new ATOM 0 H5 U B 7 10.058 14.338 -4.999 1.00 0.00 H new ATOM 0 H6 U B 7 10.900 16.593 -5.137 1.00 0.00 H new TER 1185 U B 7 HETATM 1186 ZN ZN A 187 -3.071 1.279 -11.224 1.00 0.00 ZN HETATM 1187 ZN ZN A 188 4.946 -3.873 6.169 1.00 0.00 ZN