USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 643 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 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 5 ASN : amide:sc= 1.6 K(o=2.1,f=-4.6!) USER MOD Set 1.2: B 212 G O2' : rot -27:sc= 0.495 USER MOD Single : A 1 MET CE :methyl -153:sc= -0.214 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0 (180deg=-0.0354) USER MOD Single : A 2 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.4) USER MOD Single : A 3 LYS NZ :NH3+ -110:sc= -0.784 (180deg=-1.48) USER MOD Single : A 8 ASN : amide:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : A 9 GLN : amide:sc= -1.92 K(o=-1.9,f=-3.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0152 K(o=-0.015,f=-7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.029) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -102:sc= 0.623 (180deg=-0.229) USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0265) USER MOD Single : A 45 GLN : amide:sc= -3.35! C(o=-3.4!,f=-2.3!) USER MOD Single : A 46 MET CE :methyl 165:sc= -0.0448 (180deg=-0.618) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= -0.0316 (180deg=-0.803) USER MOD Single : A 50 THR OG1 : rot -108:sc= 0.132 USER MOD Single : A 53 GLN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.0657 K(o=-0.066,f=-0.66) USER MOD Single : B 201 G O2' : rot -14:sc= 0.425 USER MOD Single : B 202 G O2' : rot -11:sc= -0.0828 USER MOD Single : B 203 A O2' : rot -2:sc= -0.26 USER MOD Single : B 204 C O2' : rot -98:sc= 1.06 USER MOD Single : B 205 U O2' : rot 15:sc= -0.65 USER MOD Single : B 206 A O2' : rot -153:sc= -1.05 USER MOD Single : B 207 G O2' : rot -54:sc= 0.833 USER MOD Single : B 208 C O2' : rot -113:sc= 0.644 USER MOD Single : B 209 G O2' : rot -171:sc= -1.67 USER MOD Single : B 210 G O2' : rot 15:sc= 0.663 USER MOD Single : B 211 A O2' : rot -59:sc= 0.785 USER MOD Single : B 213 G O2' : rot -78:sc= 1.02 USER MOD Single : B 214 C O2' : rot -24:sc= 0.451 USER MOD Single : B 215 U O2' : rot -139:sc= -0.0307 USER MOD Single : B 216 A O2' : rot -147:sc= -0.916 USER MOD Single : B 217 G O2' : rot -25:sc= 0.517 USER MOD Single : B 218 U O2' : rot 8:sc= -0.0704 USER MOD Single : B 219 C O2' : rot -32:sc= 0.463 USER MOD Single : B 220 C O2' : rot -27:sc= 0.428 USER MOD Single : B 220 C O3' : rot 180:sc= 0.399 USER MOD ----------------------------------------------------------------- ATOM 1 P G B 201 1.322 -22.205 -7.355 1.00 0.00 P ATOM 2 OP1 G B 201 0.329 -21.111 -7.423 1.00 0.00 O ATOM 3 OP2 G B 201 2.340 -22.271 -8.428 1.00 0.00 O ATOM 4 O5' G B 201 2.087 -22.092 -5.955 1.00 0.00 O ATOM 5 C5' G B 201 1.491 -21.382 -4.871 1.00 0.00 C ATOM 6 C4' G B 201 1.681 -22.146 -3.581 1.00 0.00 C ATOM 7 O4' G B 201 2.025 -23.462 -3.925 1.00 0.00 O ATOM 8 C3' G B 201 2.943 -21.775 -2.809 1.00 0.00 C ATOM 9 O3' G B 201 2.640 -20.748 -1.868 1.00 0.00 O ATOM 10 C2' G B 201 3.375 -23.042 -2.122 1.00 0.00 C ATOM 11 O2' G B 201 2.527 -23.088 -0.996 1.00 0.00 O ATOM 12 C1' G B 201 3.077 -24.070 -3.210 1.00 0.00 C ATOM 13 N9 G B 201 4.231 -24.348 -4.090 1.00 0.00 N ATOM 14 C8 G B 201 4.828 -23.498 -4.951 1.00 0.00 C ATOM 15 N7 G B 201 5.845 -24.055 -5.600 1.00 0.00 N ATOM 16 C5 G B 201 5.885 -25.334 -5.112 1.00 0.00 C ATOM 17 C6 G B 201 6.738 -26.419 -5.403 1.00 0.00 C ATOM 18 O6 G B 201 7.666 -26.400 -6.210 1.00 0.00 O ATOM 19 N1 G B 201 6.518 -27.585 -4.737 1.00 0.00 N ATOM 20 C2 G B 201 5.504 -27.636 -3.843 1.00 0.00 C ATOM 21 N2 G B 201 5.418 -28.839 -3.278 1.00 0.00 N ATOM 22 N3 G B 201 4.636 -26.671 -3.489 1.00 0.00 N ATOM 23 C4 G B 201 4.909 -25.535 -4.189 1.00 0.00 C ATOM 0 H5' G B 201 0.428 -21.236 -5.063 1.00 0.00 H new ATOM 0 H5'' G B 201 1.938 -20.392 -4.785 1.00 0.00 H new ATOM 0 H4' G B 201 0.770 -21.964 -3.011 1.00 0.00 H new ATOM 0 H3' G B 201 3.735 -21.391 -3.452 1.00 0.00 H new ATOM 0 H2' G B 201 4.399 -23.170 -1.771 1.00 0.00 H new ATOM 0 HO2' G B 201 2.103 -22.214 -0.870 1.00 0.00 H new ATOM 0 H1' G B 201 2.832 -25.047 -2.794 1.00 0.00 H new ATOM 0 H8 G B 201 4.513 -22.475 -5.097 1.00 0.00 H new ATOM 0 H1 G B 201 7.104 -28.402 -4.908 1.00 0.00 H new ATOM 0 H21 G B 201 4.697 -29.025 -2.581 1.00 0.00 H new ATOM 0 H22 G B 201 6.073 -29.575 -3.542 1.00 0.00 H new ATOM 35 P G B 202 3.425 -19.355 -1.923 1.00 0.00 P ATOM 36 OP1 G B 202 2.591 -18.288 -1.325 1.00 0.00 O ATOM 37 OP2 G B 202 3.944 -19.129 -3.291 1.00 0.00 O ATOM 38 O5' G B 202 4.674 -19.608 -0.956 1.00 0.00 O ATOM 39 C5' G B 202 4.494 -20.308 0.273 1.00 0.00 C ATOM 40 C4' G B 202 5.766 -21.033 0.650 1.00 0.00 C ATOM 41 O4' G B 202 6.044 -22.066 -0.238 1.00 0.00 O ATOM 42 C3' G B 202 7.043 -20.243 0.384 1.00 0.00 C ATOM 43 O3' G B 202 7.281 -19.344 1.465 1.00 0.00 O ATOM 44 C2' G B 202 8.133 -21.274 0.274 1.00 0.00 C ATOM 45 O2' G B 202 8.435 -21.549 1.623 1.00 0.00 O ATOM 46 C1' G B 202 7.398 -22.383 -0.473 1.00 0.00 C ATOM 47 N9 G B 202 7.695 -22.417 -1.920 1.00 0.00 N ATOM 48 C8 G B 202 7.257 -21.560 -2.867 1.00 0.00 C ATOM 49 N7 G B 202 7.705 -21.863 -4.080 1.00 0.00 N ATOM 50 C5 G B 202 8.471 -22.979 -3.878 1.00 0.00 C ATOM 51 C6 G B 202 9.215 -23.778 -4.773 1.00 0.00 C ATOM 52 O6 G B 202 9.309 -23.592 -5.985 1.00 0.00 O ATOM 53 N1 G B 202 9.883 -24.843 -4.254 1.00 0.00 N ATOM 54 C2 G B 202 9.798 -25.074 -2.925 1.00 0.00 C ATOM 55 N2 G B 202 10.504 -26.146 -2.573 1.00 0.00 N ATOM 56 N3 G B 202 9.124 -24.385 -1.985 1.00 0.00 N ATOM 57 C4 G B 202 8.479 -23.335 -2.567 1.00 0.00 C ATOM 0 H5' G B 202 3.675 -21.021 0.178 1.00 0.00 H new ATOM 0 H5'' G B 202 4.218 -19.608 1.062 1.00 0.00 H new ATOM 0 H4' G B 202 5.574 -21.283 1.693 1.00 0.00 H new ATOM 0 H3' G B 202 6.986 -19.639 -0.522 1.00 0.00 H new ATOM 0 H2' G B 202 9.070 -21.051 -0.237 1.00 0.00 H new ATOM 0 HO2' G B 202 7.999 -20.885 2.198 1.00 0.00 H new ATOM 0 H1' G B 202 7.694 -23.374 -0.128 1.00 0.00 H new ATOM 0 H8 G B 202 6.612 -20.719 -2.660 1.00 0.00 H new ATOM 0 H1 G B 202 10.436 -25.454 -4.855 1.00 0.00 H new ATOM 0 H21 G B 202 10.532 -26.441 -1.597 1.00 0.00 H new ATOM 0 H22 G B 202 11.017 -26.673 -3.279 1.00 0.00 H new ATOM 69 P A B 203 7.989 -17.934 1.195 1.00 0.00 P ATOM 70 OP1 A B 203 7.875 -17.081 2.397 1.00 0.00 O ATOM 71 OP2 A B 203 7.509 -17.374 -0.089 1.00 0.00 O ATOM 72 O5' A B 203 9.527 -18.334 1.015 1.00 0.00 O ATOM 73 C5' A B 203 10.251 -18.895 2.108 1.00 0.00 C ATOM 74 C4' A B 203 11.665 -19.220 1.683 1.00 0.00 C ATOM 75 O4' A B 203 11.556 -20.175 0.778 1.00 0.00 O ATOM 76 C3' A B 203 12.324 -18.151 0.816 1.00 0.00 C ATOM 77 O3' A B 203 13.050 -17.248 1.647 1.00 0.00 O ATOM 78 C2' A B 203 13.238 -18.902 -0.113 1.00 0.00 C ATOM 79 O2' A B 203 14.415 -19.036 0.651 1.00 0.00 O ATOM 80 C1' A B 203 12.441 -20.187 -0.320 1.00 0.00 C ATOM 81 N9 A B 203 11.703 -20.223 -1.600 1.00 0.00 N ATOM 82 C8 A B 203 10.569 -19.561 -1.912 1.00 0.00 C ATOM 83 N7 A B 203 10.156 -19.808 -3.150 1.00 0.00 N ATOM 84 C5 A B 203 11.091 -20.679 -3.642 1.00 0.00 C ATOM 85 C6 A B 203 11.213 -21.309 -4.898 1.00 0.00 C ATOM 86 N6 A B 203 10.343 -21.144 -5.929 1.00 0.00 N ATOM 87 N1 A B 203 12.277 -22.136 -5.084 1.00 0.00 N ATOM 88 C2 A B 203 13.148 -22.306 -4.063 1.00 0.00 C ATOM 89 N3 A B 203 13.131 -21.760 -2.833 1.00 0.00 N ATOM 90 C4 A B 203 12.045 -20.946 -2.712 1.00 0.00 C ATOM 0 H5' A B 203 9.752 -19.798 2.459 1.00 0.00 H new ATOM 0 H5'' A B 203 10.266 -18.194 2.942 1.00 0.00 H new ATOM 0 H4' A B 203 12.220 -19.402 2.604 1.00 0.00 H new ATOM 0 H3' A B 203 11.604 -17.555 0.255 1.00 0.00 H new ATOM 0 H2' A B 203 13.517 -18.488 -1.082 1.00 0.00 H new ATOM 0 HO2' A B 203 14.298 -18.586 1.514 1.00 0.00 H new ATOM 0 H1' A B 203 13.084 -21.066 -0.371 1.00 0.00 H new ATOM 0 H8 A B 203 10.053 -18.902 -1.229 1.00 0.00 H new ATOM 0 H61 A B 203 10.497 -21.634 -6.810 1.00 0.00 H new ATOM 0 H62 A B 203 9.536 -20.530 -5.822 1.00 0.00 H new ATOM 0 H2 A B 203 13.973 -22.974 -4.263 1.00 0.00 H new ATOM 102 P C B 204 13.374 -15.769 1.128 1.00 0.00 P ATOM 103 OP1 C B 204 14.021 -14.992 2.210 1.00 0.00 O ATOM 104 OP2 C B 204 12.170 -15.187 0.496 1.00 0.00 O ATOM 105 O5' C B 204 14.461 -16.021 -0.018 1.00 0.00 O ATOM 106 C5' C B 204 15.792 -16.397 0.331 1.00 0.00 C ATOM 107 C4' C B 204 16.550 -16.833 -0.902 1.00 0.00 C ATOM 108 O4' C B 204 15.751 -17.809 -1.516 1.00 0.00 O ATOM 109 C3' C B 204 16.466 -15.857 -2.072 1.00 0.00 C ATOM 110 O3' C B 204 17.492 -14.876 -1.945 1.00 0.00 O ATOM 111 C2' C B 204 16.654 -16.698 -3.304 1.00 0.00 C ATOM 112 O2' C B 204 18.055 -16.843 -3.370 1.00 0.00 O ATOM 113 C1' C B 204 15.881 -17.954 -2.913 1.00 0.00 C ATOM 114 N1 C B 204 14.559 -18.060 -3.564 1.00 0.00 N ATOM 115 C2 C B 204 14.452 -18.885 -4.683 1.00 0.00 C ATOM 116 O2 C B 204 15.460 -19.485 -5.073 1.00 0.00 O ATOM 117 N3 C B 204 13.259 -18.999 -5.293 1.00 0.00 N ATOM 118 C4 C B 204 12.195 -18.351 -4.862 1.00 0.00 C ATOM 119 N4 C B 204 11.026 -18.476 -5.477 1.00 0.00 N ATOM 120 C5 C B 204 12.279 -17.490 -3.705 1.00 0.00 C ATOM 121 C6 C B 204 13.474 -17.387 -3.107 1.00 0.00 C ATOM 0 H5' C B 204 15.770 -17.208 1.059 1.00 0.00 H new ATOM 0 H5'' C B 204 16.303 -15.558 0.804 1.00 0.00 H new ATOM 0 H4' C B 204 17.561 -17.042 -0.553 1.00 0.00 H new ATOM 0 H3' C B 204 15.519 -15.319 -2.110 1.00 0.00 H new ATOM 0 H2' C B 204 16.311 -16.351 -4.279 1.00 0.00 H new ATOM 0 HO2' C B 204 18.421 -16.194 -4.007 1.00 0.00 H new ATOM 0 H1' C B 204 16.393 -18.864 -3.226 1.00 0.00 H new ATOM 0 H41 C B 204 10.211 -17.968 -5.132 1.00 0.00 H new ATOM 0 H42 C B 204 10.942 -19.080 -6.295 1.00 0.00 H new ATOM 0 H5 C B 204 11.417 -16.953 -3.338 1.00 0.00 H new ATOM 0 H6 C B 204 13.575 -16.752 -2.239 1.00 0.00 H new ATOM 133 P U B 205 17.150 -13.328 -2.155 1.00 0.00 P ATOM 134 OP1 U B 205 17.627 -12.549 -0.991 1.00 0.00 O ATOM 135 OP2 U B 205 15.729 -13.179 -2.541 1.00 0.00 O ATOM 136 O5' U B 205 18.048 -12.929 -3.418 1.00 0.00 O ATOM 137 C5' U B 205 19.340 -13.510 -3.587 1.00 0.00 C ATOM 138 C4' U B 205 19.489 -14.048 -4.992 1.00 0.00 C ATOM 139 O4' U B 205 18.579 -14.819 -5.200 1.00 0.00 O ATOM 140 C3' U B 205 19.252 -13.016 -6.090 1.00 0.00 C ATOM 141 O3' U B 205 20.492 -12.403 -6.439 1.00 0.00 O ATOM 142 C2' U B 205 18.675 -13.788 -7.244 1.00 0.00 C ATOM 143 O2' U B 205 19.806 -14.039 -8.047 1.00 0.00 O ATOM 144 C1' U B 205 18.106 -15.003 -6.516 1.00 0.00 C ATOM 145 N1 U B 205 16.630 -15.070 -6.548 1.00 0.00 N ATOM 146 C2 U B 205 16.083 -15.830 -7.536 1.00 0.00 C ATOM 147 O2 U B 205 16.739 -16.436 -8.368 1.00 0.00 O ATOM 148 N3 U B 205 14.707 -15.894 -7.568 1.00 0.00 N ATOM 149 C4 U B 205 13.896 -15.246 -6.671 1.00 0.00 C ATOM 150 O4 U B 205 12.679 -15.375 -6.795 1.00 0.00 O ATOM 151 C5 U B 205 14.518 -14.467 -5.661 1.00 0.00 C ATOM 152 C6 U B 205 15.852 -14.418 -5.648 1.00 0.00 C ATOM 0 H5' U B 205 19.483 -14.314 -2.865 1.00 0.00 H new ATOM 0 H5'' U B 205 20.111 -12.765 -3.391 1.00 0.00 H new ATOM 0 H4' U B 205 20.503 -14.447 -5.030 1.00 0.00 H new ATOM 0 H3' U B 205 18.578 -12.216 -5.783 1.00 0.00 H new ATOM 0 H2' U B 205 17.906 -13.353 -7.882 1.00 0.00 H new ATOM 0 HO2' U B 205 20.620 -13.860 -7.531 1.00 0.00 H new ATOM 0 H1' U B 205 18.415 -15.940 -6.978 1.00 0.00 H new ATOM 0 H3 U B 205 14.267 -16.454 -8.299 1.00 0.00 H new ATOM 0 H5 U B 205 13.932 -13.932 -4.928 1.00 0.00 H new ATOM 0 H6 U B 205 16.336 -13.830 -4.883 1.00 0.00 H new ATOM 163 P A B 206 20.673 -10.821 -6.286 1.00 0.00 P ATOM 164 OP1 A B 206 22.069 -10.513 -5.905 1.00 0.00 O ATOM 165 OP2 A B 206 19.594 -10.276 -5.431 1.00 0.00 O ATOM 166 O5' A B 206 20.438 -10.286 -7.776 1.00 0.00 O ATOM 167 C5' A B 206 20.771 -11.112 -8.890 1.00 0.00 C ATOM 168 C4' A B 206 19.712 -10.990 -9.963 1.00 0.00 C ATOM 169 O4' A B 206 18.625 -11.632 -10.017 1.00 0.00 O ATOM 170 C3' A B 206 19.164 -9.578 -10.148 1.00 0.00 C ATOM 171 O3' A B 206 20.192 -8.732 -10.659 1.00 0.00 O ATOM 172 C2' A B 206 18.029 -9.719 -11.126 1.00 0.00 C ATOM 173 O2' A B 206 18.661 -9.507 -12.368 1.00 0.00 O ATOM 174 C1' A B 206 17.591 -11.154 -10.848 1.00 0.00 C ATOM 175 N9 A B 206 16.277 -11.250 -10.177 1.00 0.00 N ATOM 176 C8 A B 206 16.014 -11.079 -8.865 1.00 0.00 C ATOM 177 N7 A B 206 14.726 -11.233 -8.576 1.00 0.00 N ATOM 178 C5 A B 206 14.151 -11.520 -9.785 1.00 0.00 C ATOM 179 C6 A B 206 12.812 -11.787 -10.143 1.00 0.00 C ATOM 180 N6 A B 206 11.772 -11.808 -9.271 1.00 0.00 N ATOM 181 N1 A B 206 12.554 -12.040 -11.455 1.00 0.00 N ATOM 182 C2 A B 206 13.583 -12.021 -12.331 1.00 0.00 C ATOM 183 N3 A B 206 14.888 -11.780 -12.102 1.00 0.00 N ATOM 184 C4 A B 206 15.079 -11.535 -10.776 1.00 0.00 C ATOM 0 H5' A B 206 20.857 -12.150 -8.570 1.00 0.00 H new ATOM 0 H5'' A B 206 21.742 -10.821 -9.291 1.00 0.00 H new ATOM 0 H4' A B 206 20.398 -11.435 -10.684 1.00 0.00 H new ATOM 0 H3' A B 206 18.821 -9.130 -9.215 1.00 0.00 H new ATOM 0 H2' A B 206 17.162 -9.060 -11.080 1.00 0.00 H new ATOM 0 HO2' A B 206 18.010 -9.153 -13.010 1.00 0.00 H new ATOM 0 H1' A B 206 17.451 -11.726 -11.765 1.00 0.00 H new ATOM 0 H8 A B 206 16.768 -10.843 -8.129 1.00 0.00 H new ATOM 0 H61 A B 206 10.830 -12.009 -9.606 1.00 0.00 H new ATOM 0 H62 A B 206 11.933 -11.622 -8.281 1.00 0.00 H new ATOM 0 H2 A B 206 13.322 -12.228 -13.358 1.00 0.00 H new ATOM 196 P G B 207 20.360 -7.246 -10.093 1.00 0.00 P ATOM 197 OP1 G B 207 21.775 -6.826 -10.206 1.00 0.00 O ATOM 198 OP2 G B 207 19.722 -7.144 -8.762 1.00 0.00 O ATOM 199 O5' G B 207 19.502 -6.370 -11.121 1.00 0.00 O ATOM 200 C5' G B 207 19.463 -6.727 -12.502 1.00 0.00 C ATOM 201 C4' G B 207 18.033 -6.744 -12.993 1.00 0.00 C ATOM 202 O4' G B 207 17.144 -7.607 -12.673 1.00 0.00 O ATOM 203 C3' G B 207 17.239 -5.482 -12.668 1.00 0.00 C ATOM 204 O3' G B 207 17.783 -4.380 -13.393 1.00 0.00 O ATOM 205 C2' G B 207 15.828 -5.779 -13.095 1.00 0.00 C ATOM 206 O2' G B 207 15.806 -5.328 -14.430 1.00 0.00 O ATOM 207 C1' G B 207 15.791 -7.294 -12.913 1.00 0.00 C ATOM 208 N9 G B 207 14.933 -7.733 -11.792 1.00 0.00 N ATOM 209 C8 G B 207 15.241 -7.735 -10.477 1.00 0.00 C ATOM 210 N7 G B 207 14.250 -8.192 -9.719 1.00 0.00 N ATOM 211 C5 G B 207 13.261 -8.492 -10.616 1.00 0.00 C ATOM 212 C6 G B 207 11.963 -9.014 -10.437 1.00 0.00 C ATOM 213 O6 G B 207 11.458 -9.311 -9.356 1.00 0.00 O ATOM 214 N1 G B 207 11.205 -9.205 -11.552 1.00 0.00 N ATOM 215 C2 G B 207 11.734 -8.887 -12.755 1.00 0.00 C ATOM 216 N2 G B 207 10.875 -9.129 -13.741 1.00 0.00 N ATOM 217 N3 G B 207 12.951 -8.387 -13.041 1.00 0.00 N ATOM 218 C4 G B 207 13.657 -8.221 -11.888 1.00 0.00 C ATOM 0 H5' G B 207 19.917 -7.708 -12.645 1.00 0.00 H new ATOM 0 H5'' G B 207 20.048 -6.017 -13.086 1.00 0.00 H new ATOM 0 H4' G B 207 18.379 -6.954 -14.005 1.00 0.00 H new ATOM 0 H3' G B 207 17.278 -5.217 -11.611 1.00 0.00 H new ATOM 0 H2' G B 207 14.978 -5.330 -12.581 1.00 0.00 H new ATOM 0 HO2' G B 207 16.101 -4.394 -14.465 1.00 0.00 H new ATOM 0 H1' G B 207 15.360 -7.800 -13.777 1.00 0.00 H new ATOM 0 H8 G B 207 16.190 -7.401 -10.084 1.00 0.00 H new ATOM 0 H1 G B 207 10.259 -9.580 -11.481 1.00 0.00 H new ATOM 0 H21 G B 207 11.140 -8.936 -14.707 1.00 0.00 H new ATOM 0 H22 G B 207 9.951 -9.508 -13.531 1.00 0.00 H new ATOM 230 P C B 208 18.381 -3.122 -12.605 1.00 0.00 P ATOM 231 OP1 C B 208 19.669 -2.721 -13.213 1.00 0.00 O ATOM 232 OP2 C B 208 18.368 -3.394 -11.150 1.00 0.00 O ATOM 233 O5' C B 208 17.312 -1.969 -12.903 1.00 0.00 O ATOM 234 C5' C B 208 17.314 -1.305 -14.164 1.00 0.00 C ATOM 235 C4' C B 208 15.913 -1.263 -14.732 1.00 0.00 C ATOM 236 O4' C B 208 15.432 -2.495 -14.293 1.00 0.00 O ATOM 237 C3' C B 208 14.926 -0.433 -13.916 1.00 0.00 C ATOM 238 O3' C B 208 14.877 0.892 -14.438 1.00 0.00 O ATOM 239 C2' C B 208 13.603 -1.133 -14.060 1.00 0.00 C ATOM 240 O2' C B 208 13.141 -0.667 -15.307 1.00 0.00 O ATOM 241 C1' C B 208 14.050 -2.593 -14.030 1.00 0.00 C ATOM 242 N1 C B 208 13.799 -3.259 -12.735 1.00 0.00 N ATOM 243 C2 C B 208 12.669 -4.069 -12.631 1.00 0.00 C ATOM 244 O2 C B 208 11.935 -4.191 -13.619 1.00 0.00 O ATOM 245 N3 C B 208 12.419 -4.686 -11.463 1.00 0.00 N ATOM 246 C4 C B 208 13.212 -4.546 -10.419 1.00 0.00 C ATOM 247 N4 C B 208 12.948 -5.163 -9.275 1.00 0.00 N ATOM 248 C5 C B 208 14.389 -3.712 -10.501 1.00 0.00 C ATOM 249 C6 C B 208 14.625 -3.104 -11.672 1.00 0.00 C ATOM 0 H5' C B 208 17.979 -1.822 -14.855 1.00 0.00 H new ATOM 0 H5'' C B 208 17.699 -0.292 -14.049 1.00 0.00 H new ATOM 0 H4' C B 208 15.969 -0.950 -15.775 1.00 0.00 H new ATOM 0 H3' C B 208 15.208 -0.349 -12.866 1.00 0.00 H new ATOM 0 H2' C B 208 12.805 -0.982 -13.333 1.00 0.00 H new ATOM 0 HO2' C B 208 12.351 -0.103 -15.173 1.00 0.00 H new ATOM 0 H1' C B 208 13.499 -3.205 -14.744 1.00 0.00 H new ATOM 0 H41 C B 208 13.571 -5.045 -8.476 1.00 0.00 H new ATOM 0 H42 C B 208 12.122 -5.756 -9.194 1.00 0.00 H new ATOM 0 H5 C B 208 15.049 -3.584 -9.656 1.00 0.00 H new ATOM 0 H6 C B 208 15.497 -2.474 -11.771 1.00 0.00 H new ATOM 261 P G B 209 15.157 2.141 -13.479 1.00 0.00 P ATOM 262 OP1 G B 209 16.520 2.663 -13.725 1.00 0.00 O ATOM 263 OP2 G B 209 14.803 1.789 -12.085 1.00 0.00 O ATOM 264 O5' G B 209 14.108 3.234 -13.994 1.00 0.00 O ATOM 265 C5' G B 209 13.131 2.880 -14.970 1.00 0.00 C ATOM 266 C4' G B 209 11.921 2.272 -14.298 1.00 0.00 C ATOM 267 O4' G B 209 11.289 1.050 -14.035 1.00 0.00 O ATOM 268 C3' G B 209 11.424 3.043 -13.078 1.00 0.00 C ATOM 269 O3' G B 209 11.430 4.439 -13.365 1.00 0.00 O ATOM 270 C2' G B 209 10.031 2.536 -12.828 1.00 0.00 C ATOM 271 O2' G B 209 9.267 3.254 -13.771 1.00 0.00 O ATOM 272 C1' G B 209 10.211 1.051 -13.126 1.00 0.00 C ATOM 273 N9 G B 209 10.522 0.243 -11.928 1.00 0.00 N ATOM 274 C8 G B 209 11.670 0.239 -11.217 1.00 0.00 C ATOM 275 N7 G B 209 11.635 -0.602 -10.190 1.00 0.00 N ATOM 276 C5 G B 209 10.387 -1.160 -10.264 1.00 0.00 C ATOM 277 C6 G B 209 9.743 -2.123 -9.459 1.00 0.00 C ATOM 278 O6 G B 209 10.234 -2.671 -8.474 1.00 0.00 O ATOM 279 N1 G B 209 8.473 -2.477 -9.799 1.00 0.00 N ATOM 280 C2 G B 209 7.907 -1.891 -10.878 1.00 0.00 C ATOM 281 N2 G B 209 6.670 -2.340 -11.080 1.00 0.00 N ATOM 282 N3 G B 209 8.423 -0.968 -11.711 1.00 0.00 N ATOM 283 C4 G B 209 9.690 -0.658 -11.318 1.00 0.00 C ATOM 0 H5' G B 209 13.556 2.171 -15.681 1.00 0.00 H new ATOM 0 H5'' G B 209 12.836 3.763 -15.537 1.00 0.00 H new ATOM 0 H4' G B 209 11.874 2.202 -15.385 1.00 0.00 H new ATOM 0 H3' G B 209 12.053 2.899 -12.199 1.00 0.00 H new ATOM 0 H2' G B 209 9.556 2.656 -11.854 1.00 0.00 H new ATOM 0 HO2' G B 209 8.313 3.107 -13.600 1.00 0.00 H new ATOM 0 H1' G B 209 9.298 0.597 -13.511 1.00 0.00 H new ATOM 0 H8 G B 209 12.525 0.854 -11.458 1.00 0.00 H new ATOM 0 H1 G B 209 7.960 -3.169 -9.252 1.00 0.00 H new ATOM 0 H21 G B 209 6.120 -1.985 -11.862 1.00 0.00 H new ATOM 0 H22 G B 209 6.273 -3.039 -10.453 1.00 0.00 H new ATOM 295 P G B 210 12.078 5.467 -12.324 1.00 0.00 P ATOM 296 OP1 G B 210 12.831 6.510 -13.057 1.00 0.00 O ATOM 297 OP2 G B 210 12.796 4.720 -11.267 1.00 0.00 O ATOM 298 O5' G B 210 10.797 6.159 -11.658 1.00 0.00 O ATOM 299 C5' G B 210 9.561 6.202 -12.366 1.00 0.00 C ATOM 300 C4' G B 210 8.414 6.383 -11.398 1.00 0.00 C ATOM 301 O4' G B 210 7.927 6.495 -10.121 1.00 0.00 O ATOM 302 C3' G B 210 7.041 6.480 -12.058 1.00 0.00 C ATOM 303 O3' G B 210 6.351 5.242 -11.901 1.00 0.00 O ATOM 304 C2' G B 210 6.336 7.600 -11.344 1.00 0.00 C ATOM 305 O2' G B 210 5.022 7.105 -11.213 1.00 0.00 O ATOM 306 C1' G B 210 7.143 7.665 -10.051 1.00 0.00 C ATOM 307 N9 G B 210 7.992 8.870 -9.945 1.00 0.00 N ATOM 308 C8 G B 210 9.037 9.209 -10.730 1.00 0.00 C ATOM 309 N7 G B 210 9.594 10.362 -10.373 1.00 0.00 N ATOM 310 C5 G B 210 8.850 10.768 -9.299 1.00 0.00 C ATOM 311 C6 G B 210 8.939 11.912 -8.478 1.00 0.00 C ATOM 312 O6 G B 210 9.770 12.812 -8.598 1.00 0.00 O ATOM 313 N1 G B 210 8.034 12.032 -7.469 1.00 0.00 N ATOM 314 C2 G B 210 7.109 11.058 -7.313 1.00 0.00 C ATOM 315 N2 G B 210 6.300 11.320 -6.289 1.00 0.00 N ATOM 316 N3 G B 210 6.932 9.934 -8.031 1.00 0.00 N ATOM 317 C4 G B 210 7.866 9.873 -9.020 1.00 0.00 C ATOM 0 H5' G B 210 9.426 5.281 -12.934 1.00 0.00 H new ATOM 0 H5'' G B 210 9.573 7.021 -13.085 1.00 0.00 H new ATOM 0 H4' G B 210 9.461 6.329 -11.099 1.00 0.00 H new ATOM 0 H3' G B 210 7.097 6.677 -13.129 1.00 0.00 H new ATOM 0 H2' G B 210 6.274 8.595 -11.784 1.00 0.00 H new ATOM 0 HO2' G B 210 5.016 6.141 -11.389 1.00 0.00 H new ATOM 0 H1' G B 210 6.502 7.726 -9.171 1.00 0.00 H new ATOM 0 H8 G B 210 9.383 8.608 -11.558 1.00 0.00 H new ATOM 0 H1 G B 210 8.053 12.838 -6.845 1.00 0.00 H new ATOM 0 H21 G B 210 5.551 10.670 -6.052 1.00 0.00 H new ATOM 0 H22 G B 210 6.430 12.171 -5.742 1.00 0.00 H new ATOM 329 P A B 211 6.204 4.246 -13.144 1.00 0.00 P ATOM 330 OP1 A B 211 7.220 4.575 -14.170 1.00 0.00 O ATOM 331 OP2 A B 211 4.790 4.192 -13.576 1.00 0.00 O ATOM 332 O5' A B 211 6.582 2.825 -12.511 1.00 0.00 O ATOM 333 C5' A B 211 7.234 2.759 -11.246 1.00 0.00 C ATOM 334 C4' A B 211 6.208 2.670 -10.138 1.00 0.00 C ATOM 335 O4' A B 211 5.917 3.270 -8.901 1.00 0.00 O ATOM 336 C3' A B 211 4.870 2.072 -10.563 1.00 0.00 C ATOM 337 O3' A B 211 4.879 0.668 -10.314 1.00 0.00 O ATOM 338 C2' A B 211 3.838 2.774 -9.726 1.00 0.00 C ATOM 339 O2' A B 211 2.798 1.825 -9.657 1.00 0.00 O ATOM 340 C1' A B 211 4.618 2.986 -8.431 1.00 0.00 C ATOM 341 N9 A B 211 4.095 4.095 -7.605 1.00 0.00 N ATOM 342 C8 A B 211 4.152 5.416 -7.873 1.00 0.00 C ATOM 343 N7 A B 211 3.590 6.158 -6.925 1.00 0.00 N ATOM 344 C5 A B 211 3.153 5.240 -6.006 1.00 0.00 C ATOM 345 C6 A B 211 2.478 5.397 -4.778 1.00 0.00 C ATOM 346 N6 A B 211 2.112 6.593 -4.248 1.00 0.00 N ATOM 347 N1 A B 211 2.177 4.267 -4.081 1.00 0.00 N ATOM 348 C2 A B 211 2.538 3.074 -4.600 1.00 0.00 C ATOM 349 N3 A B 211 3.179 2.808 -5.753 1.00 0.00 N ATOM 350 C4 A B 211 3.452 3.975 -6.401 1.00 0.00 C ATOM 0 H5' A B 211 7.859 3.640 -11.104 1.00 0.00 H new ATOM 0 H5'' A B 211 7.893 1.892 -11.213 1.00 0.00 H new ATOM 0 H4' A B 211 7.221 2.435 -9.811 1.00 0.00 H new ATOM 0 H3' A B 211 4.663 2.204 -11.625 1.00 0.00 H new ATOM 0 H2' A B 211 3.403 3.720 -10.048 1.00 0.00 H new ATOM 0 HO2' A B 211 2.489 1.612 -10.562 1.00 0.00 H new ATOM 0 H1' A B 211 4.558 2.122 -7.769 1.00 0.00 H new ATOM 0 H8 A B 211 4.606 5.826 -8.763 1.00 0.00 H new ATOM 0 H61 A B 211 1.625 6.626 -3.352 1.00 0.00 H new ATOM 0 H62 A B 211 2.324 7.458 -4.746 1.00 0.00 H new ATOM 0 H2 A B 211 2.275 2.211 -4.006 1.00 0.00 H new ATOM 362 P G B 212 4.098 -0.324 -11.297 1.00 0.00 P ATOM 363 OP1 G B 212 4.853 -0.470 -12.561 1.00 0.00 O ATOM 364 OP2 G B 212 2.678 0.085 -11.392 1.00 0.00 O ATOM 365 O5' G B 212 4.159 -1.722 -10.521 1.00 0.00 O ATOM 366 C5' G B 212 3.663 -1.819 -9.187 1.00 0.00 C ATOM 367 C4' G B 212 4.383 -2.922 -8.445 1.00 0.00 C ATOM 368 O4' G B 212 5.536 -2.157 -8.231 1.00 0.00 O ATOM 369 C3' G B 212 3.979 -3.064 -6.980 1.00 0.00 C ATOM 370 O3' G B 212 3.133 -4.203 -6.830 1.00 0.00 O ATOM 371 C2' G B 212 5.269 -3.233 -6.227 1.00 0.00 C ATOM 372 O2' G B 212 5.570 -4.595 -6.428 1.00 0.00 O ATOM 373 C1' G B 212 6.164 -2.247 -6.971 1.00 0.00 C ATOM 374 N9 G B 212 6.251 -0.922 -6.322 1.00 0.00 N ATOM 375 C8 G B 212 5.232 -0.171 -5.854 1.00 0.00 C ATOM 376 N7 G B 212 5.642 0.976 -5.323 1.00 0.00 N ATOM 377 C5 G B 212 7.003 0.938 -5.468 1.00 0.00 C ATOM 378 C6 G B 212 8.008 1.859 -5.105 1.00 0.00 C ATOM 379 O6 G B 212 7.817 2.939 -4.551 1.00 0.00 O ATOM 380 N1 G B 212 9.295 1.525 -5.391 1.00 0.00 N ATOM 381 C2 G B 212 9.535 0.343 -6.001 1.00 0.00 C ATOM 382 N2 G B 212 10.837 0.162 -6.212 1.00 0.00 N ATOM 383 N3 G B 212 8.662 -0.604 -6.390 1.00 0.00 N ATOM 384 C4 G B 212 7.396 -0.212 -6.077 1.00 0.00 C ATOM 0 H5' G B 212 2.592 -2.019 -9.203 1.00 0.00 H new ATOM 0 H5'' G B 212 3.802 -0.870 -8.669 1.00 0.00 H new ATOM 0 H4' G B 212 4.316 -3.885 -8.951 1.00 0.00 H new ATOM 0 H3' G B 212 3.422 -2.204 -6.608 1.00 0.00 H new ATOM 0 H2' G B 212 5.324 -3.036 -5.156 1.00 0.00 H new ATOM 0 HO2' G B 212 4.741 -5.094 -6.584 1.00 0.00 H new ATOM 0 H1' G B 212 7.201 -2.581 -7.007 1.00 0.00 H new ATOM 0 H8 G B 212 4.195 -0.470 -5.905 1.00 0.00 H new ATOM 0 H1 G B 212 10.062 2.153 -5.150 1.00 0.00 H new ATOM 0 H21 G B 212 11.166 -0.690 -6.666 1.00 0.00 H new ATOM 0 H22 G B 212 11.505 0.875 -5.920 1.00 0.00 H new ATOM 396 P G B 213 1.717 -4.250 -7.573 1.00 0.00 P ATOM 397 OP1 G B 213 1.156 -2.883 -7.666 1.00 0.00 O ATOM 398 OP2 G B 213 0.867 -5.296 -6.961 1.00 0.00 O ATOM 399 O5' G B 213 2.102 -4.728 -9.052 1.00 0.00 O ATOM 400 C5' G B 213 2.863 -5.919 -9.240 1.00 0.00 C ATOM 401 C4' G B 213 2.862 -6.311 -10.700 1.00 0.00 C ATOM 402 O4' G B 213 3.778 -5.486 -11.077 1.00 0.00 O ATOM 403 C3' G B 213 3.492 -7.670 -10.988 1.00 0.00 C ATOM 404 O3' G B 213 2.480 -8.580 -11.417 1.00 0.00 O ATOM 405 C2' G B 213 4.503 -7.418 -12.072 1.00 0.00 C ATOM 406 O2' G B 213 3.744 -7.581 -13.248 1.00 0.00 O ATOM 407 C1' G B 213 4.913 -5.984 -11.749 1.00 0.00 C ATOM 408 N9 G B 213 6.120 -5.892 -10.901 1.00 0.00 N ATOM 409 C8 G B 213 6.283 -6.381 -9.654 1.00 0.00 C ATOM 410 N7 G B 213 7.492 -6.130 -9.160 1.00 0.00 N ATOM 411 C5 G B 213 8.122 -5.444 -10.164 1.00 0.00 C ATOM 412 C6 G B 213 9.421 -4.902 -10.253 1.00 0.00 C ATOM 413 O6 G B 213 10.279 -4.959 -9.374 1.00 0.00 O ATOM 414 N1 G B 213 9.755 -4.262 -11.408 1.00 0.00 N ATOM 415 C2 G B 213 8.832 -4.183 -12.391 1.00 0.00 C ATOM 416 N2 G B 213 9.307 -3.532 -13.450 1.00 0.00 N ATOM 417 N3 G B 213 7.573 -4.661 -12.415 1.00 0.00 N ATOM 418 C4 G B 213 7.302 -5.287 -11.236 1.00 0.00 C ATOM 0 H5' G B 213 2.445 -6.726 -8.638 1.00 0.00 H new ATOM 0 H5'' G B 213 3.886 -5.764 -8.898 1.00 0.00 H new ATOM 0 H4' G B 213 1.861 -6.318 -11.131 1.00 0.00 H new ATOM 0 H3' G B 213 3.965 -8.113 -10.112 1.00 0.00 H new ATOM 0 H2' G B 213 5.394 -8.039 -12.165 1.00 0.00 H new ATOM 0 HO2' G B 213 3.620 -8.536 -13.428 1.00 0.00 H new ATOM 0 H1' G B 213 5.187 -5.425 -12.644 1.00 0.00 H new ATOM 0 H8 G B 213 5.516 -6.918 -9.116 1.00 0.00 H new ATOM 0 H1 G B 213 10.681 -3.852 -11.528 1.00 0.00 H new ATOM 0 H21 G B 213 8.718 -3.396 -14.271 1.00 0.00 H new ATOM 0 H22 G B 213 10.260 -3.169 -13.440 1.00 0.00 H new ATOM 430 P C B 214 2.326 -10.001 -10.700 1.00 0.00 P ATOM 431 OP1 C B 214 0.903 -10.247 -10.379 1.00 0.00 O ATOM 432 OP2 C B 214 3.304 -10.111 -9.595 1.00 0.00 O ATOM 433 O5' C B 214 2.759 -11.032 -11.846 1.00 0.00 O ATOM 434 C5' C B 214 2.259 -10.873 -13.172 1.00 0.00 C ATOM 435 C4' C B 214 3.405 -10.836 -14.158 1.00 0.00 C ATOM 436 O4' C B 214 4.332 -9.783 -14.140 1.00 0.00 O ATOM 437 C3' C B 214 4.357 -12.025 -14.063 1.00 0.00 C ATOM 438 O3' C B 214 3.774 -13.151 -14.714 1.00 0.00 O ATOM 439 C2' C B 214 5.617 -11.579 -14.752 1.00 0.00 C ATOM 440 O2' C B 214 5.310 -11.771 -16.115 1.00 0.00 O ATOM 441 C1' C B 214 5.692 -10.125 -14.295 1.00 0.00 C ATOM 442 N1 C B 214 6.436 -9.942 -13.032 1.00 0.00 N ATOM 443 C2 C B 214 7.701 -9.358 -13.102 1.00 0.00 C ATOM 444 O2 C B 214 8.136 -9.022 -14.209 1.00 0.00 O ATOM 445 N3 C B 214 8.397 -9.180 -11.965 1.00 0.00 N ATOM 446 C4 C B 214 7.917 -9.544 -10.793 1.00 0.00 C ATOM 447 N4 C B 214 8.620 -9.361 -9.682 1.00 0.00 N ATOM 448 C5 C B 214 6.610 -10.152 -10.691 1.00 0.00 C ATOM 449 C6 C B 214 5.927 -10.322 -11.834 1.00 0.00 C ATOM 0 H5' C B 214 1.679 -9.953 -13.242 1.00 0.00 H new ATOM 0 H5'' C B 214 1.585 -11.694 -13.416 1.00 0.00 H new ATOM 0 H4' C B 214 2.767 -10.772 -15.039 1.00 0.00 H new ATOM 0 H3' C B 214 4.562 -12.325 -13.035 1.00 0.00 H new ATOM 0 H2' C B 214 6.569 -12.071 -14.554 1.00 0.00 H new ATOM 0 HO2' C B 214 4.609 -12.450 -16.200 1.00 0.00 H new ATOM 0 H1' C B 214 6.235 -9.500 -15.004 1.00 0.00 H new ATOM 0 H41 C B 214 8.235 -9.648 -8.782 1.00 0.00 H new ATOM 0 H42 C B 214 9.545 -8.934 -9.728 1.00 0.00 H new ATOM 0 H5 C B 214 6.201 -10.456 -9.739 1.00 0.00 H new ATOM 0 H6 C B 214 4.946 -10.773 -11.799 1.00 0.00 H new ATOM 461 P U B 215 3.830 -14.593 -14.022 1.00 0.00 P ATOM 462 OP1 U B 215 2.826 -15.484 -14.644 1.00 0.00 O ATOM 463 OP2 U B 215 3.789 -14.440 -12.550 1.00 0.00 O ATOM 464 O5' U B 215 5.283 -15.129 -14.424 1.00 0.00 O ATOM 465 C5' U B 215 5.633 -15.277 -15.798 1.00 0.00 C ATOM 466 C4' U B 215 7.058 -14.824 -16.024 1.00 0.00 C ATOM 467 O4' U B 215 7.739 -13.867 -16.156 1.00 0.00 O ATOM 468 C3' U B 215 8.069 -15.960 -16.151 1.00 0.00 C ATOM 469 O3' U B 215 8.170 -16.354 -17.518 1.00 0.00 O ATOM 470 C2' U B 215 9.366 -15.396 -15.641 1.00 0.00 C ATOM 471 O2' U B 215 10.281 -15.765 -16.648 1.00 0.00 O ATOM 472 C1' U B 215 9.025 -13.911 -15.578 1.00 0.00 C ATOM 473 N1 U B 215 9.011 -13.366 -14.205 1.00 0.00 N ATOM 474 C2 U B 215 10.098 -12.636 -13.834 1.00 0.00 C ATOM 475 O2 U B 215 11.051 -12.420 -14.566 1.00 0.00 O ATOM 476 N3 U B 215 10.088 -12.128 -12.554 1.00 0.00 N ATOM 477 C4 U B 215 9.058 -12.324 -11.668 1.00 0.00 C ATOM 478 O4 U B 215 9.157 -11.822 -10.550 1.00 0.00 O ATOM 479 C5 U B 215 7.948 -13.093 -12.106 1.00 0.00 C ATOM 480 C6 U B 215 7.979 -13.575 -13.350 1.00 0.00 C ATOM 0 H5' U B 215 4.955 -14.692 -16.419 1.00 0.00 H new ATOM 0 H5'' U B 215 5.522 -16.319 -16.099 1.00 0.00 H new ATOM 0 H4' U B 215 6.209 -14.153 -15.894 1.00 0.00 H new ATOM 0 H3' U B 215 7.784 -16.848 -15.587 1.00 0.00 H new ATOM 0 H2' U B 215 9.779 -15.715 -14.684 1.00 0.00 H new ATOM 0 HO2' U B 215 11.118 -16.064 -16.236 1.00 0.00 H new ATOM 0 H1' U B 215 9.769 -13.299 -16.088 1.00 0.00 H new ATOM 0 H3 U B 215 10.889 -11.576 -12.248 1.00 0.00 H new ATOM 0 H5 U B 215 7.107 -13.281 -11.455 1.00 0.00 H new ATOM 0 H6 U B 215 7.140 -14.161 -13.693 1.00 0.00 H new ATOM 491 P A B 216 8.039 -17.897 -17.918 1.00 0.00 P ATOM 492 OP1 A B 216 8.240 -18.054 -19.375 1.00 0.00 O ATOM 493 OP2 A B 216 6.799 -18.459 -17.336 1.00 0.00 O ATOM 494 O5' A B 216 9.284 -18.569 -17.172 1.00 0.00 O ATOM 495 C5' A B 216 10.581 -18.522 -17.764 1.00 0.00 C ATOM 496 C4' A B 216 11.633 -18.325 -16.696 1.00 0.00 C ATOM 497 O4' A B 216 11.454 -17.619 -15.626 1.00 0.00 O ATOM 498 C3' A B 216 12.067 -19.609 -15.995 1.00 0.00 C ATOM 499 O3' A B 216 12.758 -20.446 -16.922 1.00 0.00 O ATOM 500 C2' A B 216 12.967 -19.166 -14.875 1.00 0.00 C ATOM 501 O2' A B 216 14.247 -19.225 -15.463 1.00 0.00 O ATOM 502 C1' A B 216 12.427 -17.763 -14.616 1.00 0.00 C ATOM 503 N9 A B 216 11.833 -17.598 -13.274 1.00 0.00 N ATOM 504 C8 A B 216 10.582 -17.925 -12.885 1.00 0.00 C ATOM 505 N7 A B 216 10.353 -17.650 -11.606 1.00 0.00 N ATOM 506 C5 A B 216 11.537 -17.118 -11.168 1.00 0.00 C ATOM 507 C6 A B 216 11.931 -16.629 -9.904 1.00 0.00 C ATOM 508 N6 A B 216 11.133 -16.603 -8.806 1.00 0.00 N ATOM 509 N1 A B 216 13.201 -16.154 -9.784 1.00 0.00 N ATOM 510 C2 A B 216 14.003 -16.177 -10.872 1.00 0.00 C ATOM 511 N3 A B 216 13.734 -16.615 -12.116 1.00 0.00 N ATOM 512 C4 A B 216 12.454 -17.075 -12.169 1.00 0.00 C ATOM 0 H5' A B 216 10.630 -17.708 -18.488 1.00 0.00 H new ATOM 0 H5'' A B 216 10.774 -19.446 -18.309 1.00 0.00 H new ATOM 0 H4' A B 216 12.295 -17.812 -17.394 1.00 0.00 H new ATOM 0 H3' A B 216 11.227 -20.188 -15.612 1.00 0.00 H new ATOM 0 H2' A B 216 13.009 -19.718 -13.936 1.00 0.00 H new ATOM 0 HO2' A B 216 14.908 -19.471 -14.783 1.00 0.00 H new ATOM 0 H1' A B 216 13.215 -17.010 -14.640 1.00 0.00 H new ATOM 0 H8 A B 216 9.846 -18.363 -13.543 1.00 0.00 H new ATOM 0 H61 A B 216 11.490 -16.233 -7.925 1.00 0.00 H new ATOM 0 H62 A B 216 10.177 -16.953 -8.862 1.00 0.00 H new ATOM 0 H2 A B 216 15.000 -15.789 -10.722 1.00 0.00 H new ATOM 524 P G B 217 12.449 -22.014 -16.968 1.00 0.00 P ATOM 525 OP1 G B 217 12.534 -22.498 -18.364 1.00 0.00 O ATOM 526 OP2 G B 217 11.204 -22.300 -16.221 1.00 0.00 O ATOM 527 O5' G B 217 13.672 -22.646 -16.151 1.00 0.00 O ATOM 528 C5' G B 217 14.937 -21.987 -16.139 1.00 0.00 C ATOM 529 C4' G B 217 15.419 -21.816 -14.716 1.00 0.00 C ATOM 530 O4' G B 217 14.712 -20.966 -13.857 1.00 0.00 O ATOM 531 C3' G B 217 15.194 -23.033 -13.823 1.00 0.00 C ATOM 532 O3' G B 217 16.058 -24.090 -14.235 1.00 0.00 O ATOM 533 C2' G B 217 15.517 -22.568 -12.429 1.00 0.00 C ATOM 534 O2' G B 217 16.916 -22.729 -12.366 1.00 0.00 O ATOM 535 C1' G B 217 15.025 -21.125 -12.491 1.00 0.00 C ATOM 536 N9 G B 217 13.844 -20.868 -11.638 1.00 0.00 N ATOM 537 C8 G B 217 12.555 -21.143 -11.922 1.00 0.00 C ATOM 538 N7 G B 217 11.728 -20.789 -10.943 1.00 0.00 N ATOM 539 C5 G B 217 12.555 -20.259 -9.990 1.00 0.00 C ATOM 540 C6 G B 217 12.285 -19.708 -8.719 1.00 0.00 C ATOM 541 O6 G B 217 11.170 -19.601 -8.211 1.00 0.00 O ATOM 542 N1 G B 217 13.345 -19.256 -7.995 1.00 0.00 N ATOM 543 C2 G B 217 14.582 -19.360 -8.528 1.00 0.00 C ATOM 544 N2 G B 217 15.508 -18.877 -7.701 1.00 0.00 N ATOM 545 N3 G B 217 14.954 -19.864 -9.720 1.00 0.00 N ATOM 546 C4 G B 217 13.852 -20.297 -10.393 1.00 0.00 C ATOM 0 H5' G B 217 14.854 -21.014 -16.623 1.00 0.00 H new ATOM 0 H5'' G B 217 15.663 -22.566 -16.710 1.00 0.00 H new ATOM 0 H4' G B 217 16.428 -21.501 -14.984 1.00 0.00 H new ATOM 0 H3' G B 217 14.175 -23.417 -13.878 1.00 0.00 H new ATOM 0 H2' G B 217 15.087 -23.062 -11.558 1.00 0.00 H new ATOM 0 HO2' G B 217 17.194 -23.423 -13.000 1.00 0.00 H new ATOM 0 H1' G B 217 15.769 -20.422 -12.116 1.00 0.00 H new ATOM 0 H8 G B 217 12.230 -21.601 -12.844 1.00 0.00 H new ATOM 0 H1 G B 217 13.209 -18.848 -7.070 1.00 0.00 H new ATOM 0 H21 G B 217 16.491 -18.890 -7.973 1.00 0.00 H new ATOM 0 H22 G B 217 15.234 -18.494 -6.796 1.00 0.00 H new ATOM 558 P U B 218 15.481 -25.572 -14.411 1.00 0.00 P ATOM 559 OP1 U B 218 16.281 -26.301 -15.420 1.00 0.00 O ATOM 560 OP2 U B 218 14.016 -25.516 -14.612 1.00 0.00 O ATOM 561 O5' U B 218 15.759 -26.238 -12.983 1.00 0.00 O ATOM 562 C5' U B 218 17.090 -26.308 -12.476 1.00 0.00 C ATOM 563 C4' U B 218 17.083 -26.138 -10.974 1.00 0.00 C ATOM 564 O4' U B 218 16.438 -24.973 -10.542 1.00 0.00 O ATOM 565 C3' U B 218 16.110 -27.056 -10.240 1.00 0.00 C ATOM 566 O3' U B 218 16.652 -28.374 -10.183 1.00 0.00 O ATOM 567 C2' U B 218 15.961 -26.461 -8.868 1.00 0.00 C ATOM 568 O2' U B 218 17.080 -26.977 -8.183 1.00 0.00 O ATOM 569 C1' U B 218 16.021 -24.972 -9.196 1.00 0.00 C ATOM 570 N1 U B 218 14.725 -24.280 -9.037 1.00 0.00 N ATOM 571 C2 U B 218 14.521 -23.645 -7.851 1.00 0.00 C ATOM 572 O2 U B 218 15.339 -23.624 -6.944 1.00 0.00 O ATOM 573 N3 U B 218 13.314 -23.000 -7.702 1.00 0.00 N ATOM 574 C4 U B 218 12.342 -22.974 -8.670 1.00 0.00 C ATOM 575 O4 U B 218 11.301 -22.365 -8.426 1.00 0.00 O ATOM 576 C5 U B 218 12.605 -23.653 -9.889 1.00 0.00 C ATOM 577 C6 U B 218 13.782 -24.271 -10.012 1.00 0.00 C ATOM 0 H5' U B 218 17.703 -25.533 -12.935 1.00 0.00 H new ATOM 0 H5'' U B 218 17.538 -27.266 -12.739 1.00 0.00 H new ATOM 0 H4' U B 218 18.149 -26.253 -10.775 1.00 0.00 H new ATOM 0 H3' U B 218 15.143 -27.133 -10.737 1.00 0.00 H new ATOM 0 H2' U B 218 15.079 -26.663 -8.260 1.00 0.00 H new ATOM 0 HO2' U B 218 17.664 -27.444 -8.816 1.00 0.00 H new ATOM 0 H1' U B 218 16.683 -24.430 -8.521 1.00 0.00 H new ATOM 0 H3 U B 218 13.132 -22.515 -6.823 1.00 0.00 H new ATOM 0 H5 U B 218 11.879 -23.669 -10.688 1.00 0.00 H new ATOM 0 H6 U B 218 13.994 -24.790 -10.935 1.00 0.00 H new ATOM 588 P C B 219 15.712 -29.638 -10.463 1.00 0.00 P ATOM 589 OP1 C B 219 16.505 -30.721 -11.085 1.00 0.00 O ATOM 590 OP2 C B 219 14.484 -29.202 -11.164 1.00 0.00 O ATOM 591 O5' C B 219 15.298 -30.112 -8.991 1.00 0.00 O ATOM 592 C5' C B 219 16.277 -30.153 -7.954 1.00 0.00 C ATOM 593 C4' C B 219 15.613 -29.983 -6.607 1.00 0.00 C ATOM 594 O4' C B 219 15.186 -28.673 -6.535 1.00 0.00 O ATOM 595 C3' C B 219 14.220 -30.598 -6.507 1.00 0.00 C ATOM 596 O3' C B 219 14.333 -31.969 -6.133 1.00 0.00 O ATOM 597 C2' C B 219 13.506 -29.796 -5.455 1.00 0.00 C ATOM 598 O2' C B 219 13.956 -30.386 -4.256 1.00 0.00 O ATOM 599 C1' C B 219 14.051 -28.400 -5.744 1.00 0.00 C ATOM 600 N1 C B 219 13.095 -27.531 -6.462 1.00 0.00 N ATOM 601 C2 C B 219 12.374 -26.603 -5.712 1.00 0.00 C ATOM 602 O2 C B 219 12.566 -26.550 -4.492 1.00 0.00 O ATOM 603 N3 C B 219 11.498 -25.801 -6.344 1.00 0.00 N ATOM 604 C4 C B 219 11.306 -25.871 -7.646 1.00 0.00 C ATOM 605 N4 C B 219 10.437 -25.070 -8.250 1.00 0.00 N ATOM 606 C5 C B 219 12.041 -26.824 -8.445 1.00 0.00 C ATOM 607 C6 C B 219 12.910 -27.616 -7.802 1.00 0.00 C ATOM 0 H5' C B 219 17.014 -29.364 -8.107 1.00 0.00 H new ATOM 0 H5'' C B 219 16.813 -31.101 -7.987 1.00 0.00 H new ATOM 0 H4' C B 219 16.334 -30.383 -5.894 1.00 0.00 H new ATOM 0 H3' C B 219 13.676 -30.571 -7.451 1.00 0.00 H new ATOM 0 H2' C B 219 12.417 -29.761 -5.418 1.00 0.00 H new ATOM 0 HO2' C B 219 14.130 -31.339 -4.405 1.00 0.00 H new ATOM 0 H1' C B 219 14.263 -27.845 -4.830 1.00 0.00 H new ATOM 0 H41 C B 219 10.299 -25.135 -9.258 1.00 0.00 H new ATOM 0 H42 C B 219 9.907 -24.389 -7.706 1.00 0.00 H new ATOM 0 H5 C B 219 11.897 -26.895 -9.513 1.00 0.00 H new ATOM 0 H6 C B 219 13.478 -28.341 -8.366 1.00 0.00 H new ATOM 619 P C B 220 13.762 -33.112 -7.098 1.00 0.00 P ATOM 620 OP1 C B 220 14.635 -34.305 -7.029 1.00 0.00 O ATOM 621 OP2 C B 220 13.488 -32.543 -8.436 1.00 0.00 O ATOM 622 O5' C B 220 12.360 -33.486 -6.423 1.00 0.00 O ATOM 623 C5' C B 220 12.331 -34.168 -5.172 1.00 0.00 C ATOM 624 C4' C B 220 10.907 -34.290 -4.680 1.00 0.00 C ATOM 625 O4' C B 220 10.636 -32.924 -4.540 1.00 0.00 O ATOM 626 C3' C B 220 9.877 -34.523 -5.782 1.00 0.00 C ATOM 627 O3' C B 220 9.598 -35.928 -5.881 1.00 0.00 O ATOM 628 C2' C B 220 8.660 -33.747 -5.358 1.00 0.00 C ATOM 629 O2' C B 220 8.051 -34.611 -4.425 1.00 0.00 O ATOM 630 C1' C B 220 9.311 -32.499 -4.769 1.00 0.00 C ATOM 631 N1 C B 220 9.273 -31.331 -5.674 1.00 0.00 N ATOM 632 C2 C B 220 8.353 -30.323 -5.393 1.00 0.00 C ATOM 633 O2 C B 220 7.616 -30.451 -4.409 1.00 0.00 O ATOM 634 N3 C B 220 8.300 -29.250 -6.203 1.00 0.00 N ATOM 635 C4 C B 220 9.092 -29.130 -7.250 1.00 0.00 C ATOM 636 N4 C B 220 9.025 -28.063 -8.036 1.00 0.00 N ATOM 637 C5 C B 220 10.055 -30.160 -7.562 1.00 0.00 C ATOM 638 C6 C B 220 10.096 -31.224 -6.746 1.00 0.00 C ATOM 0 H5' C B 220 12.932 -33.628 -4.440 1.00 0.00 H new ATOM 0 H5'' C B 220 12.773 -35.159 -5.279 1.00 0.00 H new ATOM 0 H4' C B 220 10.846 -35.041 -3.893 1.00 0.00 H new ATOM 0 H3' C B 220 10.222 -34.198 -6.763 1.00 0.00 H new ATOM 0 H2' C B 220 7.900 -33.453 -6.082 1.00 0.00 H new ATOM 0 HO2' C B 220 8.287 -35.539 -4.635 1.00 0.00 H new ATOM 0 HO3' C B 220 8.935 -36.081 -6.587 1.00 0.00 H new ATOM 0 H1' C B 220 8.791 -32.148 -3.877 1.00 0.00 H new ATOM 0 H41 C B 220 9.644 -27.984 -8.843 1.00 0.00 H new ATOM 0 H42 C B 220 8.354 -27.322 -7.834 1.00 0.00 H new ATOM 0 H5 C B 220 10.713 -30.077 -8.414 1.00 0.00 H new ATOM 0 H6 C B 220 10.803 -32.015 -6.948 1.00 0.00 H new TER 650 C B 220 ATOM 651 N MET A 1 5.033 -11.451 4.889 1.00 0.00 N ATOM 652 CA MET A 1 4.125 -10.317 4.926 1.00 0.00 C ATOM 653 C MET A 1 3.253 -10.271 3.670 1.00 0.00 C ATOM 654 O MET A 1 3.102 -9.218 3.053 1.00 0.00 O ATOM 655 CB MET A 1 4.931 -9.020 5.036 1.00 0.00 C ATOM 656 CG MET A 1 4.585 -8.267 6.322 1.00 0.00 C ATOM 657 SD MET A 1 3.098 -7.309 6.087 1.00 0.00 S ATOM 658 CE MET A 1 3.710 -6.054 4.974 1.00 0.00 C ATOM 0 H1 MET A 1 5.682 -11.403 5.701 1.00 0.00 H new ATOM 0 H2 MET A 1 4.487 -12.335 4.934 1.00 0.00 H new ATOM 0 H3 MET A 1 5.581 -11.428 4.006 1.00 0.00 H new ATOM 0 HA MET A 1 3.474 -10.425 5.794 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.997 -9.247 5.019 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.727 -8.386 4.173 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.447 -8.973 7.141 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.409 -7.611 6.602 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.119 -5.145 5.090 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.754 -5.840 5.205 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.631 -6.409 3.946 1.00 0.00 H new ATOM 668 N GLN A 2 2.702 -11.426 3.328 1.00 0.00 N ATOM 669 CA GLN A 2 1.849 -11.531 2.156 1.00 0.00 C ATOM 670 C GLN A 2 2.311 -10.553 1.074 1.00 0.00 C ATOM 671 O GLN A 2 1.531 -9.724 0.607 1.00 0.00 O ATOM 672 CB GLN A 2 0.383 -11.291 2.522 1.00 0.00 C ATOM 673 CG GLN A 2 0.170 -9.862 3.025 1.00 0.00 C ATOM 674 CD GLN A 2 -1.122 -9.753 3.838 1.00 0.00 C ATOM 675 OE1 GLN A 2 -1.873 -10.703 3.987 1.00 0.00 O ATOM 676 NE2 GLN A 2 -1.336 -8.547 4.354 1.00 0.00 N ATOM 0 H GLN A 2 2.830 -12.298 3.842 1.00 0.00 H new ATOM 0 HA GLN A 2 1.930 -12.544 1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.247 -11.471 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.076 -12.000 3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.017 -9.559 3.640 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.130 -9.177 2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.666 -7.796 4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.170 -8.373 4.914 1.00 0.00 H new ATOM 685 N LYS A 3 3.578 -10.683 0.707 1.00 0.00 N ATOM 686 CA LYS A 3 4.153 -9.821 -0.312 1.00 0.00 C ATOM 687 C LYS A 3 5.610 -10.222 -0.551 1.00 0.00 C ATOM 688 O LYS A 3 6.526 -9.474 -0.213 1.00 0.00 O ATOM 689 CB LYS A 3 3.974 -8.349 0.068 1.00 0.00 C ATOM 690 CG LYS A 3 3.688 -7.495 -1.169 1.00 0.00 C ATOM 691 CD LYS A 3 3.336 -6.059 -0.774 1.00 0.00 C ATOM 692 CE LYS A 3 3.780 -5.069 -1.852 1.00 0.00 C ATOM 693 NZ LYS A 3 4.814 -4.153 -1.320 1.00 0.00 N ATOM 0 H LYS A 3 4.222 -11.372 1.097 1.00 0.00 H new ATOM 0 HA LYS A 3 3.628 -9.948 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.155 -8.250 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.874 -7.986 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.560 -7.493 -1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.866 -7.932 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.261 -5.974 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.816 -5.811 0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.173 -5.611 -2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.922 -4.495 -2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.415 -3.197 -1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.131 -4.491 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.623 -4.127 -1.973 1.00 0.00 H new ATOM 706 N GLY A 4 5.778 -11.402 -1.129 1.00 0.00 N ATOM 707 CA GLY A 4 7.108 -11.912 -1.415 1.00 0.00 C ATOM 708 C GLY A 4 7.875 -10.957 -2.333 1.00 0.00 C ATOM 709 O GLY A 4 9.105 -10.920 -2.309 1.00 0.00 O ATOM 0 H GLY A 4 5.015 -12.020 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.658 -12.047 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.032 -12.892 -1.885 1.00 0.00 H new ATOM 713 N ASN A 5 7.118 -10.208 -3.120 1.00 0.00 N ATOM 714 CA ASN A 5 7.710 -9.256 -4.045 1.00 0.00 C ATOM 715 C ASN A 5 8.503 -8.211 -3.255 1.00 0.00 C ATOM 716 O ASN A 5 9.306 -7.476 -3.825 1.00 0.00 O ATOM 717 CB ASN A 5 6.633 -8.523 -4.847 1.00 0.00 C ATOM 718 CG ASN A 5 7.148 -8.144 -6.237 1.00 0.00 C ATOM 719 OD1 ASN A 5 7.623 -8.971 -6.998 1.00 0.00 O ATOM 720 ND2 ASN A 5 7.028 -6.851 -6.524 1.00 0.00 N ATOM 0 H ASN A 5 6.099 -10.241 -3.137 1.00 0.00 H new ATOM 0 HA ASN A 5 8.356 -9.807 -4.729 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.751 -9.156 -4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.324 -7.625 -4.312 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.343 -6.498 -7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.621 -6.213 -5.841 1.00 0.00 H new ATOM 727 N PHE A 6 8.250 -8.181 -1.955 1.00 0.00 N ATOM 728 CA PHE A 6 8.929 -7.240 -1.082 1.00 0.00 C ATOM 729 C PHE A 6 10.444 -7.451 -1.121 1.00 0.00 C ATOM 730 O PHE A 6 11.205 -6.599 -0.664 1.00 0.00 O ATOM 731 CB PHE A 6 8.427 -7.504 0.339 1.00 0.00 C ATOM 732 CG PHE A 6 9.273 -6.847 1.431 1.00 0.00 C ATOM 733 CD1 PHE A 6 10.396 -7.466 1.886 1.00 0.00 C ATOM 734 CD2 PHE A 6 8.904 -5.645 1.948 1.00 0.00 C ATOM 735 CE1 PHE A 6 11.182 -6.856 2.899 1.00 0.00 C ATOM 736 CE2 PHE A 6 9.689 -5.035 2.961 1.00 0.00 C ATOM 737 CZ PHE A 6 10.812 -5.653 3.415 1.00 0.00 C ATOM 0 H PHE A 6 7.584 -8.794 -1.485 1.00 0.00 H new ATOM 0 HA PHE A 6 8.722 -6.219 -1.404 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.401 -7.145 0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.403 -8.580 0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.690 -8.421 1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.012 -5.154 1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 6 12.074 -7.347 3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 6 9.395 -4.080 3.371 1.00 0.00 H new ATOM 0 HZ PHE A 6 11.410 -5.189 4.185 1.00 0.00 H new ATOM 747 N ARG A 7 10.836 -8.589 -1.673 1.00 0.00 N ATOM 748 CA ARG A 7 12.246 -8.923 -1.778 1.00 0.00 C ATOM 749 C ARG A 7 12.975 -7.886 -2.635 1.00 0.00 C ATOM 750 O ARG A 7 14.204 -7.857 -2.671 1.00 0.00 O ATOM 751 CB ARG A 7 12.440 -10.310 -2.394 1.00 0.00 C ATOM 752 CG ARG A 7 11.989 -11.408 -1.427 1.00 0.00 C ATOM 753 CD ARG A 7 12.128 -12.791 -2.065 1.00 0.00 C ATOM 754 NE ARG A 7 11.129 -12.954 -3.145 1.00 0.00 N ATOM 755 CZ ARG A 7 9.877 -13.420 -2.955 1.00 0.00 C ATOM 756 NH1 ARG A 7 9.459 -13.775 -1.721 1.00 0.00 N ATOM 757 NH2 ARG A 7 9.067 -13.524 -3.992 1.00 0.00 N ATOM 0 H ARG A 7 10.202 -9.292 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 7 12.662 -8.924 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.873 -10.382 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.490 -10.455 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.585 -11.362 -0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.952 -11.239 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.134 -12.916 -2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.988 -13.564 -1.310 1.00 0.00 H new ATOM 0 HE ARG A 7 11.404 -12.698 -4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.091 -13.692 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.511 -14.126 -1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.390 -13.254 -4.921 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.118 -13.875 -3.864 1.00 0.00 H new ATOM 770 N ASN A 8 12.185 -7.059 -3.304 1.00 0.00 N ATOM 771 CA ASN A 8 12.739 -6.022 -4.158 1.00 0.00 C ATOM 772 C ASN A 8 13.675 -5.134 -3.335 1.00 0.00 C ATOM 773 O ASN A 8 14.525 -4.439 -3.890 1.00 0.00 O ATOM 774 CB ASN A 8 11.634 -5.136 -4.736 1.00 0.00 C ATOM 775 CG ASN A 8 10.906 -4.374 -3.626 1.00 0.00 C ATOM 776 OD1 ASN A 8 10.696 -4.871 -2.532 1.00 0.00 O ATOM 777 ND2 ASN A 8 10.533 -3.145 -3.969 1.00 0.00 N ATOM 0 H ASN A 8 11.166 -7.086 -3.272 1.00 0.00 H new ATOM 0 HA ASN A 8 13.275 -6.508 -4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.064 -4.429 -5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.922 -5.750 -5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.039 -2.556 -3.298 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.741 -2.791 -4.903 1.00 0.00 H new ATOM 784 N GLN A 9 13.489 -5.188 -2.024 1.00 0.00 N ATOM 785 CA GLN A 9 14.306 -4.398 -1.119 1.00 0.00 C ATOM 786 C GLN A 9 15.776 -4.802 -1.242 1.00 0.00 C ATOM 787 O GLN A 9 16.659 -4.106 -0.743 1.00 0.00 O ATOM 788 CB GLN A 9 13.817 -4.537 0.324 1.00 0.00 C ATOM 789 CG GLN A 9 12.478 -3.823 0.521 1.00 0.00 C ATOM 790 CD GLN A 9 12.361 -3.260 1.939 1.00 0.00 C ATOM 791 OE1 GLN A 9 13.233 -3.430 2.776 1.00 0.00 O ATOM 792 NE2 GLN A 9 11.237 -2.585 2.161 1.00 0.00 N ATOM 0 H GLN A 9 12.784 -5.767 -1.567 1.00 0.00 H new ATOM 0 HA GLN A 9 14.214 -3.349 -1.399 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.711 -5.592 0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.559 -4.120 1.005 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.382 -3.015 -0.204 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.660 -4.518 0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.549 -2.481 1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.063 -2.171 3.077 1.00 0.00 H new ATOM 801 N ARG A 10 15.994 -5.927 -1.909 1.00 0.00 N ATOM 802 CA ARG A 10 17.343 -6.432 -2.102 1.00 0.00 C ATOM 803 C ARG A 10 18.146 -5.476 -2.987 1.00 0.00 C ATOM 804 O ARG A 10 19.372 -5.559 -3.043 1.00 0.00 O ATOM 805 CB ARG A 10 17.323 -7.818 -2.748 1.00 0.00 C ATOM 806 CG ARG A 10 16.826 -7.744 -4.194 1.00 0.00 C ATOM 807 CD ARG A 10 17.127 -9.042 -4.945 1.00 0.00 C ATOM 808 NE ARG A 10 15.867 -9.755 -5.248 1.00 0.00 N ATOM 809 CZ ARG A 10 15.222 -10.557 -4.375 1.00 0.00 C ATOM 810 NH1 ARG A 10 15.715 -10.755 -3.134 1.00 0.00 N ATOM 811 NH2 ARG A 10 14.102 -11.145 -4.752 1.00 0.00 N ATOM 0 H ARG A 10 15.260 -6.502 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 10 17.814 -6.506 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.325 -8.248 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.678 -8.482 -2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.753 -7.555 -4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.302 -6.906 -4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.661 -8.822 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.778 -9.677 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 10 15.460 -9.633 -6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.581 -10.297 -2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.221 -11.363 -2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.736 -10.990 -5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.603 -11.754 -4.104 1.00 0.00 H new ATOM 824 N LYS A 11 17.422 -4.591 -3.657 1.00 0.00 N ATOM 825 CA LYS A 11 18.051 -3.621 -4.535 1.00 0.00 C ATOM 826 C LYS A 11 17.780 -2.210 -4.008 1.00 0.00 C ATOM 827 O LYS A 11 17.611 -1.274 -4.788 1.00 0.00 O ATOM 828 CB LYS A 11 17.599 -3.834 -5.981 1.00 0.00 C ATOM 829 CG LYS A 11 18.202 -2.776 -6.906 1.00 0.00 C ATOM 830 CD LYS A 11 18.325 -3.303 -8.337 1.00 0.00 C ATOM 831 CE LYS A 11 19.468 -4.316 -8.450 1.00 0.00 C ATOM 832 NZ LYS A 11 20.749 -3.624 -8.711 1.00 0.00 N ATOM 0 H LYS A 11 16.405 -4.526 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 11 19.132 -3.758 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.897 -4.827 -6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.511 -3.792 -6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.579 -1.882 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.185 -2.483 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.388 -3.771 -8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.501 -2.473 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.541 -4.895 -7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.258 -5.022 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.514 -4.325 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.681 -3.091 -9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.955 -2.968 -7.930 1.00 0.00 H new ATOM 845 N THR A 12 17.746 -2.103 -2.688 1.00 0.00 N ATOM 846 CA THR A 12 17.498 -0.822 -2.048 1.00 0.00 C ATOM 847 C THR A 12 16.482 -0.011 -2.854 1.00 0.00 C ATOM 848 O THR A 12 16.710 1.162 -3.145 1.00 0.00 O ATOM 849 CB THR A 12 18.843 -0.112 -1.874 1.00 0.00 C ATOM 850 OG1 THR A 12 18.588 0.875 -0.878 1.00 0.00 O ATOM 851 CG2 THR A 12 19.240 0.699 -3.109 1.00 0.00 C ATOM 0 H THR A 12 17.886 -2.882 -2.044 1.00 0.00 H new ATOM 0 HA THR A 12 17.053 -0.952 -1.061 1.00 0.00 H new ATOM 0 HB THR A 12 19.617 -0.848 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.408 1.382 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.201 1.182 -2.933 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.320 0.035 -3.970 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.483 1.458 -3.305 1.00 0.00 H new ATOM 859 N VAL A 13 15.382 -0.668 -3.191 1.00 0.00 N ATOM 860 CA VAL A 13 14.330 -0.021 -3.957 1.00 0.00 C ATOM 861 C VAL A 13 14.196 1.435 -3.506 1.00 0.00 C ATOM 862 O VAL A 13 14.536 1.770 -2.373 1.00 0.00 O ATOM 863 CB VAL A 13 13.026 -0.810 -3.825 1.00 0.00 C ATOM 864 CG1 VAL A 13 13.090 -2.114 -4.622 1.00 0.00 C ATOM 865 CG2 VAL A 13 12.697 -1.083 -2.355 1.00 0.00 C ATOM 0 H VAL A 13 15.196 -1.641 -2.948 1.00 0.00 H new ATOM 0 HA VAL A 13 14.582 -0.010 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 13 12.223 -0.202 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.150 -2.655 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.256 -1.889 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.909 -2.729 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.765 -1.645 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.503 -1.662 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.588 -0.137 -1.825 1.00 0.00 H new ATOM 875 N LYS A 14 13.701 2.260 -4.417 1.00 0.00 N ATOM 876 CA LYS A 14 13.518 3.671 -4.126 1.00 0.00 C ATOM 877 C LYS A 14 12.031 3.955 -3.909 1.00 0.00 C ATOM 878 O LYS A 14 11.182 3.402 -4.606 1.00 0.00 O ATOM 879 CB LYS A 14 14.154 4.530 -5.222 1.00 0.00 C ATOM 880 CG LYS A 14 13.198 4.706 -6.404 1.00 0.00 C ATOM 881 CD LYS A 14 13.942 4.573 -7.735 1.00 0.00 C ATOM 882 CE LYS A 14 14.292 5.948 -8.306 1.00 0.00 C ATOM 883 NZ LYS A 14 15.538 5.878 -9.102 1.00 0.00 N ATOM 0 H LYS A 14 13.421 1.978 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 14 14.032 3.939 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.420 5.506 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.079 4.064 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.406 3.959 -6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.719 5.684 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.853 3.993 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.325 4.025 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.474 6.308 -8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.412 6.665 -7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.761 6.820 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.319 5.556 -8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.411 5.209 -9.888 1.00 0.00 H new ATOM 896 N CYS A 15 11.761 4.815 -2.938 1.00 0.00 N ATOM 897 CA CYS A 15 10.391 5.179 -2.620 1.00 0.00 C ATOM 898 C CYS A 15 9.887 6.144 -3.694 1.00 0.00 C ATOM 899 O CYS A 15 10.405 7.251 -3.831 1.00 0.00 O ATOM 900 CB CYS A 15 10.275 5.777 -1.216 1.00 0.00 C ATOM 901 SG CYS A 15 8.521 6.116 -0.822 1.00 0.00 S ATOM 0 H CYS A 15 12.468 5.270 -2.361 1.00 0.00 H new ATOM 0 HA CYS A 15 9.768 4.285 -2.616 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.694 5.088 -0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.854 6.698 -1.155 1.00 0.00 H new ATOM 906 N PHE A 16 8.883 5.690 -4.429 1.00 0.00 N ATOM 907 CA PHE A 16 8.304 6.499 -5.488 1.00 0.00 C ATOM 908 C PHE A 16 7.340 7.541 -4.916 1.00 0.00 C ATOM 909 O PHE A 16 6.620 8.203 -5.663 1.00 0.00 O ATOM 910 CB PHE A 16 7.527 5.550 -6.402 1.00 0.00 C ATOM 911 CG PHE A 16 8.399 4.817 -7.423 1.00 0.00 C ATOM 912 CD1 PHE A 16 9.352 5.495 -8.117 1.00 0.00 C ATOM 913 CD2 PHE A 16 8.221 3.486 -7.637 1.00 0.00 C ATOM 914 CE1 PHE A 16 10.161 4.815 -9.063 1.00 0.00 C ATOM 915 CE2 PHE A 16 9.031 2.804 -8.585 1.00 0.00 C ATOM 916 CZ PHE A 16 9.984 3.483 -9.278 1.00 0.00 C ATOM 0 H PHE A 16 8.455 4.771 -4.312 1.00 0.00 H new ATOM 0 HA PHE A 16 9.091 7.027 -6.026 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.008 4.814 -5.788 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.763 6.118 -6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.493 6.552 -7.948 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.464 2.947 -7.087 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.918 5.355 -9.613 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.890 1.747 -8.755 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.600 2.965 -9.999 1.00 0.00 H new ATOM 926 N ASN A 17 7.356 7.654 -3.596 1.00 0.00 N ATOM 927 CA ASN A 17 6.492 8.604 -2.915 1.00 0.00 C ATOM 928 C ASN A 17 7.316 9.819 -2.486 1.00 0.00 C ATOM 929 O ASN A 17 7.023 10.945 -2.886 1.00 0.00 O ATOM 930 CB ASN A 17 5.874 7.985 -1.660 1.00 0.00 C ATOM 931 CG ASN A 17 4.597 8.724 -1.256 1.00 0.00 C ATOM 932 OD1 ASN A 17 3.915 9.329 -2.068 1.00 0.00 O ATOM 933 ND2 ASN A 17 4.311 8.642 0.039 1.00 0.00 N ATOM 0 H ASN A 17 7.954 7.103 -2.980 1.00 0.00 H new ATOM 0 HA ASN A 17 5.698 8.891 -3.604 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.648 6.934 -1.842 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.593 8.020 -0.841 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.478 9.102 0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.924 8.119 0.665 1.00 0.00 H new ATOM 940 N CYS A 18 8.331 9.551 -1.677 1.00 0.00 N ATOM 941 CA CYS A 18 9.199 10.609 -1.190 1.00 0.00 C ATOM 942 C CYS A 18 10.391 10.730 -2.143 1.00 0.00 C ATOM 943 O CYS A 18 10.853 11.834 -2.427 1.00 0.00 O ATOM 944 CB CYS A 18 9.645 10.356 0.252 1.00 0.00 C ATOM 945 SG CYS A 18 10.499 8.740 0.369 1.00 0.00 S ATOM 0 H CYS A 18 8.571 8.616 -1.347 1.00 0.00 H new ATOM 0 HA CYS A 18 8.652 11.552 -1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.312 11.153 0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.781 10.369 0.916 1.00 0.00 H new ATOM 950 N GLY A 19 10.854 9.579 -2.609 1.00 0.00 N ATOM 951 CA GLY A 19 11.982 9.542 -3.523 1.00 0.00 C ATOM 952 C GLY A 19 13.265 9.134 -2.795 1.00 0.00 C ATOM 953 O GLY A 19 14.363 9.510 -3.206 1.00 0.00 O ATOM 0 H GLY A 19 10.468 8.665 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.778 8.838 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.116 10.522 -3.981 1.00 0.00 H new ATOM 957 N LYS A 20 13.084 8.370 -1.727 1.00 0.00 N ATOM 958 CA LYS A 20 14.213 7.907 -0.939 1.00 0.00 C ATOM 959 C LYS A 20 14.632 6.518 -1.423 1.00 0.00 C ATOM 960 O LYS A 20 14.106 6.018 -2.416 1.00 0.00 O ATOM 961 CB LYS A 20 13.883 7.965 0.554 1.00 0.00 C ATOM 962 CG LYS A 20 14.133 9.365 1.117 1.00 0.00 C ATOM 963 CD LYS A 20 13.486 9.527 2.494 1.00 0.00 C ATOM 964 CE LYS A 20 13.697 10.941 3.037 1.00 0.00 C ATOM 965 NZ LYS A 20 12.395 11.599 3.290 1.00 0.00 N ATOM 0 H LYS A 20 12.173 8.060 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 20 15.071 8.565 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.841 7.687 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.491 7.239 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.206 9.544 1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.732 10.113 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.419 9.316 2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.911 8.801 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.276 10.900 3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.275 11.528 2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.556 12.558 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.856 11.655 2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.857 11.047 3.987 1.00 0.00 H new ATOM 978 N GLU A 21 15.574 5.933 -0.699 1.00 0.00 N ATOM 979 CA GLU A 21 16.071 4.612 -1.041 1.00 0.00 C ATOM 980 C GLU A 21 16.154 3.735 0.210 1.00 0.00 C ATOM 981 O GLU A 21 16.867 4.064 1.157 1.00 0.00 O ATOM 982 CB GLU A 21 17.428 4.699 -1.741 1.00 0.00 C ATOM 983 CG GLU A 21 17.294 4.403 -3.236 1.00 0.00 C ATOM 984 CD GLU A 21 18.461 5.007 -4.022 1.00 0.00 C ATOM 985 OE1 GLU A 21 18.876 6.141 -3.740 1.00 0.00 O ATOM 986 OE2 GLU A 21 18.940 4.254 -4.953 1.00 0.00 O ATOM 0 H GLU A 21 16.007 6.351 0.125 1.00 0.00 H new ATOM 0 HA GLU A 21 15.370 4.152 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.851 5.694 -1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 21 18.121 3.991 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.263 3.325 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.353 4.808 -3.607 1.00 0.00 H new ATOM 994 N GLY A 22 15.416 2.635 0.173 1.00 0.00 N ATOM 995 CA GLY A 22 15.398 1.708 1.292 1.00 0.00 C ATOM 996 C GLY A 22 13.971 1.258 1.608 1.00 0.00 C ATOM 997 O GLY A 22 13.766 0.355 2.419 1.00 0.00 O ATOM 0 H GLY A 22 14.826 2.365 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.014 0.839 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.836 2.183 2.170 1.00 0.00 H new ATOM 1001 N HIS A 23 13.021 1.908 0.953 1.00 0.00 N ATOM 1002 CA HIS A 23 11.618 1.585 1.154 1.00 0.00 C ATOM 1003 C HIS A 23 10.811 2.024 -0.070 1.00 0.00 C ATOM 1004 O HIS A 23 11.242 2.893 -0.825 1.00 0.00 O ATOM 1005 CB HIS A 23 11.101 2.200 2.456 1.00 0.00 C ATOM 1006 CG HIS A 23 10.759 3.668 2.349 1.00 0.00 C ATOM 1007 ND1 HIS A 23 11.681 4.672 2.590 1.00 0.00 N ATOM 1008 CD2 HIS A 23 9.590 4.289 2.025 1.00 0.00 C ATOM 1009 CE1 HIS A 23 11.082 5.840 2.417 1.00 0.00 C ATOM 1010 NE2 HIS A 23 9.785 5.601 2.067 1.00 0.00 N ATOM 0 H HIS A 23 13.195 2.657 0.283 1.00 0.00 H new ATOM 0 HA HIS A 23 11.500 0.506 1.257 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.214 1.653 2.777 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.855 2.069 3.232 1.00 0.00 H new ATOM 0 HD1 HIS A 23 12.656 4.535 2.856 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.662 3.797 1.776 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.540 6.811 2.533 1.00 0.00 H new ATOM 1018 N ILE A 24 9.652 1.400 -0.228 1.00 0.00 N ATOM 1019 CA ILE A 24 8.780 1.714 -1.347 1.00 0.00 C ATOM 1020 C ILE A 24 7.555 2.475 -0.836 1.00 0.00 C ATOM 1021 O ILE A 24 7.220 2.397 0.345 1.00 0.00 O ATOM 1022 CB ILE A 24 8.434 0.445 -2.129 1.00 0.00 C ATOM 1023 CG1 ILE A 24 7.405 -0.400 -1.375 1.00 0.00 C ATOM 1024 CG2 ILE A 24 9.696 -0.353 -2.465 1.00 0.00 C ATOM 1025 CD1 ILE A 24 6.905 -1.556 -2.243 1.00 0.00 C ATOM 0 H ILE A 24 9.297 0.679 0.400 1.00 0.00 H new ATOM 0 HA ILE A 24 9.289 2.368 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 24 7.978 0.740 -3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.851 -0.793 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.564 0.226 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.422 -1.250 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.363 0.260 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.202 -0.638 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.175 -2.141 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.438 -1.159 -3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.745 -2.193 -2.520 1.00 0.00 H new ATOM 1037 N ALA A 25 6.920 3.193 -1.750 1.00 0.00 N ATOM 1038 CA ALA A 25 5.740 3.967 -1.407 1.00 0.00 C ATOM 1039 C ALA A 25 4.765 3.082 -0.627 1.00 0.00 C ATOM 1040 O ALA A 25 4.083 3.555 0.282 1.00 0.00 O ATOM 1041 CB ALA A 25 5.116 4.540 -2.681 1.00 0.00 C ATOM 0 H ALA A 25 7.201 3.255 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 25 6.006 4.809 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.230 5.121 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.839 5.184 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.834 3.724 -3.347 1.00 0.00 H new ATOM 1047 N LYS A 26 4.728 1.814 -1.011 1.00 0.00 N ATOM 1048 CA LYS A 26 3.847 0.860 -0.359 1.00 0.00 C ATOM 1049 C LYS A 26 4.198 0.783 1.128 1.00 0.00 C ATOM 1050 O LYS A 26 3.311 0.806 1.981 1.00 0.00 O ATOM 1051 CB LYS A 26 3.900 -0.491 -1.074 1.00 0.00 C ATOM 1052 CG LYS A 26 3.624 -0.331 -2.570 1.00 0.00 C ATOM 1053 CD LYS A 26 2.140 -0.540 -2.880 1.00 0.00 C ATOM 1054 CE LYS A 26 1.842 -2.013 -3.166 1.00 0.00 C ATOM 1055 NZ LYS A 26 0.417 -2.193 -3.523 1.00 0.00 N ATOM 0 H LYS A 26 5.294 1.425 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 26 2.810 1.190 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.880 -0.945 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.166 -1.167 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.931 0.663 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.221 -1.049 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.537 -0.200 -2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.856 0.066 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.475 -2.367 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.083 -2.616 -2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.231 -3.198 -3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.181 -1.874 -2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.198 -1.633 -4.372 1.00 0.00 H new ATOM 1068 N ASN A 27 5.493 0.693 1.394 1.00 0.00 N ATOM 1069 CA ASN A 27 5.972 0.612 2.764 1.00 0.00 C ATOM 1070 C ASN A 27 6.340 2.013 3.254 1.00 0.00 C ATOM 1071 O ASN A 27 6.957 2.164 4.308 1.00 0.00 O ATOM 1072 CB ASN A 27 7.220 -0.266 2.860 1.00 0.00 C ATOM 1073 CG ASN A 27 6.870 -1.742 2.664 1.00 0.00 C ATOM 1074 OD1 ASN A 27 6.981 -2.558 3.564 1.00 0.00 O ATOM 1075 ND2 ASN A 27 6.441 -2.038 1.440 1.00 0.00 N ATOM 0 H ASN A 27 6.225 0.674 0.684 1.00 0.00 H new ATOM 0 HA ASN A 27 5.179 0.179 3.374 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.945 0.043 2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.693 -0.127 3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.181 -2.997 1.209 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.372 -1.306 0.733 1.00 0.00 H new ATOM 1082 N CYS A 28 5.945 3.004 2.468 1.00 0.00 N ATOM 1083 CA CYS A 28 6.226 4.388 2.810 1.00 0.00 C ATOM 1084 C CYS A 28 5.148 4.872 3.782 1.00 0.00 C ATOM 1085 O CYS A 28 3.957 4.710 3.523 1.00 0.00 O ATOM 1086 CB CYS A 28 6.308 5.273 1.563 1.00 0.00 C ATOM 1087 SG CYS A 28 6.738 6.986 2.039 1.00 0.00 S ATOM 0 H CYS A 28 5.433 2.876 1.595 1.00 0.00 H new ATOM 0 HA CYS A 28 7.203 4.455 3.289 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.057 4.879 0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.354 5.262 1.036 1.00 0.00 H new ATOM 1092 N ARG A 29 5.606 5.455 4.880 1.00 0.00 N ATOM 1093 CA ARG A 29 4.695 5.963 5.891 1.00 0.00 C ATOM 1094 C ARG A 29 3.987 7.222 5.386 1.00 0.00 C ATOM 1095 O ARG A 29 2.852 7.496 5.768 1.00 0.00 O ATOM 1096 CB ARG A 29 5.440 6.290 7.187 1.00 0.00 C ATOM 1097 CG ARG A 29 5.519 5.065 8.100 1.00 0.00 C ATOM 1098 CD ARG A 29 6.880 4.986 8.795 1.00 0.00 C ATOM 1099 NE ARG A 29 6.720 5.221 10.247 1.00 0.00 N ATOM 1100 CZ ARG A 29 6.460 4.248 11.148 1.00 0.00 C ATOM 1101 NH1 ARG A 29 6.327 2.965 10.751 1.00 0.00 N ATOM 1102 NH2 ARG A 29 6.336 4.572 12.421 1.00 0.00 N ATOM 0 H ARG A 29 6.595 5.587 5.091 1.00 0.00 H new ATOM 0 HA ARG A 29 3.958 5.186 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.446 6.639 6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.933 7.103 7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.727 5.112 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.352 4.160 7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.329 4.008 8.624 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.558 5.727 8.371 1.00 0.00 H new ATOM 0 HE ARG A 29 6.812 6.177 10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.423 2.724 9.765 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.131 2.236 11.437 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.436 5.544 12.712 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.140 3.850 13.114 1.00 0.00 H new ATOM 1115 N ALA A 30 4.689 7.954 4.534 1.00 0.00 N ATOM 1116 CA ALA A 30 4.143 9.178 3.971 1.00 0.00 C ATOM 1117 C ALA A 30 2.833 8.860 3.245 1.00 0.00 C ATOM 1118 O ALA A 30 2.588 7.713 2.875 1.00 0.00 O ATOM 1119 CB ALA A 30 5.178 9.823 3.049 1.00 0.00 C ATOM 0 H ALA A 30 5.631 7.723 4.219 1.00 0.00 H new ATOM 0 HA ALA A 30 3.918 9.896 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.768 10.741 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.078 10.056 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.427 9.133 2.243 1.00 0.00 H new ATOM 1125 N PRO A 31 2.007 9.924 3.061 1.00 0.00 N ATOM 1126 CA PRO A 31 0.728 9.769 2.388 1.00 0.00 C ATOM 1127 C PRO A 31 0.920 9.612 0.877 1.00 0.00 C ATOM 1128 O PRO A 31 1.812 10.226 0.295 1.00 0.00 O ATOM 1129 CB PRO A 31 -0.065 11.011 2.759 1.00 0.00 C ATOM 1130 CG PRO A 31 0.956 12.029 3.242 1.00 0.00 C ATOM 1131 CD PRO A 31 2.264 11.295 3.489 1.00 0.00 C ATOM 0 HA PRO A 31 0.198 8.868 2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.620 11.391 1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.795 10.790 3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.093 12.814 2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.611 12.512 4.156 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.081 11.740 2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.548 11.335 4.541 1.00 0.00 H new ATOM 1139 N ARG A 32 0.068 8.787 0.288 1.00 0.00 N ATOM 1140 CA ARG A 32 0.132 8.542 -1.143 1.00 0.00 C ATOM 1141 C ARG A 32 0.006 9.858 -1.913 1.00 0.00 C ATOM 1142 O ARG A 32 -1.071 10.450 -1.966 1.00 0.00 O ATOM 1143 CB ARG A 32 -0.978 7.589 -1.589 1.00 0.00 C ATOM 1144 CG ARG A 32 -0.933 6.283 -0.793 1.00 0.00 C ATOM 1145 CD ARG A 32 0.364 5.520 -1.067 1.00 0.00 C ATOM 1146 NE ARG A 32 0.088 4.342 -1.920 1.00 0.00 N ATOM 1147 CZ ARG A 32 -0.793 3.370 -1.607 1.00 0.00 C ATOM 1148 NH1 ARG A 32 -1.494 3.426 -0.454 1.00 0.00 N ATOM 1149 NH2 ARG A 32 -0.962 2.363 -2.444 1.00 0.00 N ATOM 0 H ARG A 32 -0.671 8.279 0.775 1.00 0.00 H new ATOM 0 HA ARG A 32 1.097 8.083 -1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.948 8.067 -1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.872 7.375 -2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.014 6.499 0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.788 5.661 -1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.084 6.175 -1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.814 5.201 -0.127 1.00 0.00 H new ATOM 0 HE ARG A 32 0.596 4.260 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.359 4.207 0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.158 2.687 -0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.430 2.328 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.625 1.620 -2.221 1.00 0.00 H new ATOM 1162 N LYS A 33 1.121 10.278 -2.492 1.00 0.00 N ATOM 1163 CA LYS A 33 1.149 11.512 -3.257 1.00 0.00 C ATOM 1164 C LYS A 33 2.048 11.328 -4.481 1.00 0.00 C ATOM 1165 O LYS A 33 2.540 10.230 -4.735 1.00 0.00 O ATOM 1166 CB LYS A 33 1.558 12.686 -2.365 1.00 0.00 C ATOM 1167 CG LYS A 33 3.030 12.582 -1.962 1.00 0.00 C ATOM 1168 CD LYS A 33 3.214 12.886 -0.473 1.00 0.00 C ATOM 1169 CE LYS A 33 3.609 14.347 -0.257 1.00 0.00 C ATOM 1170 NZ LYS A 33 3.944 14.588 1.164 1.00 0.00 N ATOM 0 H LYS A 33 2.013 9.785 -2.446 1.00 0.00 H new ATOM 0 HA LYS A 33 0.152 11.754 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.387 13.625 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.933 12.704 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.401 11.581 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.623 13.278 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.289 12.673 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.981 12.233 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.464 14.596 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.790 15.000 -0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.210 15.585 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.118 14.370 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.740 13.978 1.441 1.00 0.00 H new ATOM 1183 N LYS A 34 2.236 12.421 -5.208 1.00 0.00 N ATOM 1184 CA LYS A 34 3.067 12.394 -6.399 1.00 0.00 C ATOM 1185 C LYS A 34 3.924 13.660 -6.446 1.00 0.00 C ATOM 1186 O LYS A 34 3.984 14.336 -7.473 1.00 0.00 O ATOM 1187 CB LYS A 34 2.206 12.187 -7.648 1.00 0.00 C ATOM 1188 CG LYS A 34 2.165 10.710 -8.046 1.00 0.00 C ATOM 1189 CD LYS A 34 1.143 10.471 -9.160 1.00 0.00 C ATOM 1190 CE LYS A 34 1.147 9.006 -9.601 1.00 0.00 C ATOM 1191 NZ LYS A 34 0.834 8.898 -11.043 1.00 0.00 N ATOM 0 H LYS A 34 1.827 13.330 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 34 3.751 11.546 -6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.194 12.545 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.605 12.779 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.153 10.392 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.911 10.102 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.148 10.747 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.371 11.112 -10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.122 8.562 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.415 8.443 -9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.841 7.897 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.106 9.303 -11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.547 9.418 -11.593 1.00 0.00 H new ATOM 1204 N GLY A 35 4.566 13.944 -5.323 1.00 0.00 N ATOM 1205 CA GLY A 35 5.417 15.117 -5.223 1.00 0.00 C ATOM 1206 C GLY A 35 6.808 14.836 -5.796 1.00 0.00 C ATOM 1207 O GLY A 35 7.535 13.988 -5.281 1.00 0.00 O ATOM 0 H GLY A 35 4.514 13.382 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.960 15.949 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.504 15.420 -4.179 1.00 0.00 H new ATOM 1211 N CYS A 36 7.136 15.563 -6.854 1.00 0.00 N ATOM 1212 CA CYS A 36 8.427 15.403 -7.501 1.00 0.00 C ATOM 1213 C CYS A 36 9.519 15.592 -6.448 1.00 0.00 C ATOM 1214 O CYS A 36 9.586 16.635 -5.798 1.00 0.00 O ATOM 1215 CB CYS A 36 8.593 16.367 -8.677 1.00 0.00 C ATOM 1216 SG CYS A 36 10.308 16.291 -9.310 1.00 0.00 S ATOM 0 H CYS A 36 6.530 16.264 -7.279 1.00 0.00 H new ATOM 0 HA CYS A 36 8.503 14.402 -7.924 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.892 16.110 -9.471 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.358 17.383 -8.361 1.00 0.00 H new ATOM 1221 N TRP A 37 10.350 14.569 -6.312 1.00 0.00 N ATOM 1222 CA TRP A 37 11.438 14.611 -5.349 1.00 0.00 C ATOM 1223 C TRP A 37 12.619 15.331 -6.001 1.00 0.00 C ATOM 1224 O TRP A 37 13.773 14.972 -5.769 1.00 0.00 O ATOM 1225 CB TRP A 37 11.790 13.204 -4.860 1.00 0.00 C ATOM 1226 CG TRP A 37 10.762 12.137 -5.239 1.00 0.00 C ATOM 1227 CD1 TRP A 37 9.526 11.970 -4.750 1.00 0.00 C ATOM 1228 CD2 TRP A 37 10.933 11.089 -6.217 1.00 0.00 C ATOM 1229 NE1 TRP A 37 8.891 10.894 -5.336 1.00 0.00 N ATOM 1230 CE2 TRP A 37 9.772 10.342 -6.258 1.00 0.00 C ATOM 1231 CE3 TRP A 37 12.030 10.782 -7.040 1.00 0.00 C ATOM 1232 CZ2 TRP A 37 9.599 9.240 -7.104 1.00 0.00 C ATOM 1233 CZ3 TRP A 37 11.841 9.678 -7.881 1.00 0.00 C ATOM 1234 CH2 TRP A 37 10.680 8.916 -7.933 1.00 0.00 C ATOM 0 H TRP A 37 10.292 13.706 -6.853 1.00 0.00 H new ATOM 0 HA TRP A 37 11.144 15.164 -4.457 1.00 0.00 H new ATOM 0 HB2 TRP A 37 12.760 12.921 -5.269 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.895 13.223 -3.775 1.00 0.00 H new ATOM 0 HD1 TRP A 37 9.082 12.599 -3.992 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.948 10.564 -5.130 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.947 11.353 -7.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.681 8.671 -7.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.654 9.399 -8.535 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.612 8.077 -8.610 1.00 0.00 H new ATOM 1245 N LYS A 38 12.291 16.333 -6.802 1.00 0.00 N ATOM 1246 CA LYS A 38 13.311 17.107 -7.488 1.00 0.00 C ATOM 1247 C LYS A 38 13.013 18.598 -7.321 1.00 0.00 C ATOM 1248 O LYS A 38 13.894 19.374 -6.952 1.00 0.00 O ATOM 1249 CB LYS A 38 13.428 16.663 -8.949 1.00 0.00 C ATOM 1250 CG LYS A 38 14.892 16.454 -9.342 1.00 0.00 C ATOM 1251 CD LYS A 38 15.535 15.352 -8.498 1.00 0.00 C ATOM 1252 CE LYS A 38 16.904 15.791 -7.975 1.00 0.00 C ATOM 1253 NZ LYS A 38 17.043 15.455 -6.540 1.00 0.00 N ATOM 0 H LYS A 38 11.333 16.627 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 38 14.290 16.926 -7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.872 15.737 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.977 17.413 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.955 16.191 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.444 17.385 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.884 15.104 -7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.643 14.447 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.692 15.302 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.027 16.865 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.899 16.311 -5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.333 14.741 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.995 15.076 -6.363 1.00 0.00 H new ATOM 1266 N CYS A 39 11.768 18.955 -7.601 1.00 0.00 N ATOM 1267 CA CYS A 39 11.343 20.340 -7.486 1.00 0.00 C ATOM 1268 C CYS A 39 10.385 20.451 -6.298 1.00 0.00 C ATOM 1269 O CYS A 39 10.324 21.489 -5.640 1.00 0.00 O ATOM 1270 CB CYS A 39 10.705 20.845 -8.782 1.00 0.00 C ATOM 1271 SG CYS A 39 9.371 19.708 -9.308 1.00 0.00 S ATOM 0 H CYS A 39 11.040 18.309 -7.907 1.00 0.00 H new ATOM 0 HA CYS A 39 12.211 20.976 -7.313 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.302 21.847 -8.632 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.461 20.919 -9.564 1.00 0.00 H new ATOM 1276 N GLY A 40 9.662 19.368 -6.058 1.00 0.00 N ATOM 1277 CA GLY A 40 8.711 19.330 -4.960 1.00 0.00 C ATOM 1278 C GLY A 40 7.305 19.697 -5.440 1.00 0.00 C ATOM 1279 O GLY A 40 6.464 20.117 -4.647 1.00 0.00 O ATOM 0 H GLY A 40 9.715 18.509 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.700 18.334 -4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.025 20.022 -4.178 1.00 0.00 H new ATOM 1283 N LYS A 41 7.094 19.523 -6.736 1.00 0.00 N ATOM 1284 CA LYS A 41 5.804 19.830 -7.332 1.00 0.00 C ATOM 1285 C LYS A 41 5.001 18.538 -7.492 1.00 0.00 C ATOM 1286 O LYS A 41 5.426 17.622 -8.195 1.00 0.00 O ATOM 1287 CB LYS A 41 5.987 20.606 -8.638 1.00 0.00 C ATOM 1288 CG LYS A 41 5.276 21.959 -8.576 1.00 0.00 C ATOM 1289 CD LYS A 41 6.111 22.983 -7.805 1.00 0.00 C ATOM 1290 CE LYS A 41 5.616 24.406 -8.070 1.00 0.00 C ATOM 1291 NZ LYS A 41 4.236 24.579 -7.561 1.00 0.00 N ATOM 0 H LYS A 41 7.794 19.173 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 41 5.229 20.485 -6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.049 20.758 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.594 20.022 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.090 22.323 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.304 21.841 -8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.060 22.769 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.158 22.898 -8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.280 25.124 -7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.644 24.614 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.953 25.575 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.586 23.980 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.198 24.303 -6.559 1.00 0.00 H new ATOM 1304 N GLU A 42 3.853 18.506 -6.831 1.00 0.00 N ATOM 1305 CA GLU A 42 2.987 17.341 -6.891 1.00 0.00 C ATOM 1306 C GLU A 42 2.177 17.348 -8.189 1.00 0.00 C ATOM 1307 O GLU A 42 1.442 18.296 -8.460 1.00 0.00 O ATOM 1308 CB GLU A 42 2.067 17.278 -5.671 1.00 0.00 C ATOM 1309 CG GLU A 42 1.250 18.565 -5.533 1.00 0.00 C ATOM 1310 CD GLU A 42 0.125 18.393 -4.511 1.00 0.00 C ATOM 1311 OE1 GLU A 42 -0.168 17.263 -4.094 1.00 0.00 O ATOM 1312 OE2 GLU A 42 -0.454 19.487 -4.148 1.00 0.00 O ATOM 0 H GLU A 42 3.503 19.268 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 42 3.611 16.448 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.395 16.424 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.661 17.122 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.902 19.383 -5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.829 18.838 -6.500 1.00 0.00 H new ATOM 1320 N GLY A 43 2.339 16.281 -8.957 1.00 0.00 N ATOM 1321 CA GLY A 43 1.632 16.153 -10.219 1.00 0.00 C ATOM 1322 C GLY A 43 2.501 15.452 -11.266 1.00 0.00 C ATOM 1323 O GLY A 43 2.064 14.490 -11.897 1.00 0.00 O ATOM 0 H GLY A 43 2.950 15.497 -8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.711 15.589 -10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.345 17.140 -10.581 1.00 0.00 H new ATOM 1327 N HIS A 44 3.714 15.961 -11.419 1.00 0.00 N ATOM 1328 CA HIS A 44 4.649 15.396 -12.377 1.00 0.00 C ATOM 1329 C HIS A 44 5.635 14.478 -11.653 1.00 0.00 C ATOM 1330 O HIS A 44 5.529 14.277 -10.444 1.00 0.00 O ATOM 1331 CB HIS A 44 5.343 16.500 -13.175 1.00 0.00 C ATOM 1332 CG HIS A 44 6.351 17.294 -12.379 1.00 0.00 C ATOM 1333 ND1 HIS A 44 6.049 18.507 -11.784 1.00 0.00 N ATOM 1334 CD2 HIS A 44 7.656 17.034 -12.083 1.00 0.00 C ATOM 1335 CE1 HIS A 44 7.133 18.948 -11.162 1.00 0.00 C ATOM 1336 NE2 HIS A 44 8.128 18.035 -11.350 1.00 0.00 N ATOM 0 H HIS A 44 4.072 16.760 -10.895 1.00 0.00 H new ATOM 0 HA HIS A 44 4.108 14.789 -13.103 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.844 16.053 -14.033 1.00 0.00 H new ATOM 0 HB3 HIS A 44 4.587 17.181 -13.566 1.00 0.00 H new ATOM 0 HD1 HIS A 44 5.146 18.981 -11.818 1.00 0.00 H new ATOM 0 HD2 HIS A 44 8.212 16.161 -12.392 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.214 19.869 -10.604 1.00 0.00 H new ATOM 1344 N GLN A 45 6.573 13.945 -12.423 1.00 0.00 N ATOM 1345 CA GLN A 45 7.578 13.053 -11.870 1.00 0.00 C ATOM 1346 C GLN A 45 8.980 13.540 -12.237 1.00 0.00 C ATOM 1347 O GLN A 45 9.158 14.232 -13.240 1.00 0.00 O ATOM 1348 CB GLN A 45 7.355 11.615 -12.342 1.00 0.00 C ATOM 1349 CG GLN A 45 6.080 11.028 -11.734 1.00 0.00 C ATOM 1350 CD GLN A 45 5.189 10.412 -12.815 1.00 0.00 C ATOM 1351 OE1 GLN A 45 3.975 10.523 -12.792 1.00 0.00 O ATOM 1352 NE2 GLN A 45 5.859 9.759 -13.760 1.00 0.00 N ATOM 0 H GLN A 45 6.658 14.114 -13.425 1.00 0.00 H new ATOM 0 HA GLN A 45 7.485 13.062 -10.784 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.287 11.592 -13.430 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.211 11.000 -12.063 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.341 10.269 -10.997 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.531 11.809 -11.207 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.877 9.705 -13.718 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.355 9.313 -14.526 1.00 0.00 H new ATOM 1361 N MET A 46 9.941 13.161 -11.407 1.00 0.00 N ATOM 1362 CA MET A 46 11.322 13.552 -11.633 1.00 0.00 C ATOM 1363 C MET A 46 11.754 13.238 -13.067 1.00 0.00 C ATOM 1364 O MET A 46 12.463 14.024 -13.692 1.00 0.00 O ATOM 1365 CB MET A 46 12.230 12.808 -10.651 1.00 0.00 C ATOM 1366 CG MET A 46 13.704 13.111 -10.929 1.00 0.00 C ATOM 1367 SD MET A 46 14.644 11.594 -10.957 1.00 0.00 S ATOM 1368 CE MET A 46 14.666 11.275 -12.713 1.00 0.00 C ATOM 0 H MET A 46 9.790 12.587 -10.577 1.00 0.00 H new ATOM 0 HA MET A 46 11.406 14.627 -11.476 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.982 13.098 -9.630 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.055 11.735 -10.729 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.804 13.628 -11.883 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.098 13.778 -10.162 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.424 10.525 -12.937 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.689 10.909 -13.029 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.898 12.196 -13.247 1.00 0.00 H new ATOM 1378 N LYS A 47 11.308 12.085 -13.544 1.00 0.00 N ATOM 1379 CA LYS A 47 11.640 11.656 -14.893 1.00 0.00 C ATOM 1380 C LYS A 47 11.169 12.716 -15.891 1.00 0.00 C ATOM 1381 O LYS A 47 11.861 13.008 -16.865 1.00 0.00 O ATOM 1382 CB LYS A 47 11.074 10.262 -15.166 1.00 0.00 C ATOM 1383 CG LYS A 47 11.994 9.469 -16.097 1.00 0.00 C ATOM 1384 CD LYS A 47 12.290 8.082 -15.525 1.00 0.00 C ATOM 1385 CE LYS A 47 11.089 7.149 -15.698 1.00 0.00 C ATOM 1386 NZ LYS A 47 11.468 5.955 -16.486 1.00 0.00 N ATOM 0 H LYS A 47 10.720 11.435 -13.022 1.00 0.00 H new ATOM 0 HA LYS A 47 12.720 11.565 -15.009 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.952 9.725 -14.226 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.084 10.349 -15.614 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.527 9.370 -17.077 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.927 10.013 -16.242 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.160 7.657 -16.025 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.540 8.167 -14.467 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.715 6.843 -14.721 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.278 7.679 -16.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.875 5.149 -16.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.329 6.149 -17.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.468 5.727 -16.312 1.00 0.00 H new ATOM 1399 N ASP A 48 9.995 13.265 -15.613 1.00 0.00 N ATOM 1400 CA ASP A 48 9.424 14.287 -16.474 1.00 0.00 C ATOM 1401 C ASP A 48 9.419 15.626 -15.735 1.00 0.00 C ATOM 1402 O ASP A 48 8.531 16.452 -15.944 1.00 0.00 O ATOM 1403 CB ASP A 48 7.979 13.947 -16.848 1.00 0.00 C ATOM 1404 CG ASP A 48 7.823 13.051 -18.077 1.00 0.00 C ATOM 1405 OD1 ASP A 48 8.683 12.206 -18.365 1.00 0.00 O ATOM 1406 OD2 ASP A 48 6.749 13.251 -18.765 1.00 0.00 O ATOM 0 H ASP A 48 9.424 13.021 -14.804 1.00 0.00 H new ATOM 0 HA ASP A 48 10.028 14.341 -17.380 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.505 13.457 -15.997 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.437 14.876 -17.023 1.00 0.00 H new ATOM 1412 N CYS A 49 10.420 15.800 -14.884 1.00 0.00 N ATOM 1413 CA CYS A 49 10.543 17.025 -14.113 1.00 0.00 C ATOM 1414 C CYS A 49 10.304 18.210 -15.051 1.00 0.00 C ATOM 1415 O CYS A 49 11.112 18.476 -15.939 1.00 0.00 O ATOM 1416 CB CYS A 49 11.898 17.118 -13.410 1.00 0.00 C ATOM 1417 SG CYS A 49 11.904 18.530 -12.246 1.00 0.00 S ATOM 0 H CYS A 49 11.153 15.112 -14.712 1.00 0.00 H new ATOM 0 HA CYS A 49 9.795 17.034 -13.320 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.102 16.192 -12.872 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.692 17.240 -14.147 1.00 0.00 H new ATOM 1422 N THR A 50 9.190 18.889 -14.823 1.00 0.00 N ATOM 1423 CA THR A 50 8.834 20.039 -15.638 1.00 0.00 C ATOM 1424 C THR A 50 9.695 21.247 -15.259 1.00 0.00 C ATOM 1425 O THR A 50 9.563 22.317 -15.851 1.00 0.00 O ATOM 1426 CB THR A 50 7.334 20.289 -15.475 1.00 0.00 C ATOM 1427 OG1 THR A 50 7.166 20.502 -14.075 1.00 0.00 O ATOM 1428 CG2 THR A 50 6.499 19.039 -15.764 1.00 0.00 C ATOM 0 H THR A 50 8.522 18.665 -14.086 1.00 0.00 H new ATOM 0 HA THR A 50 9.034 19.853 -16.693 1.00 0.00 H new ATOM 0 HB THR A 50 7.026 21.095 -16.141 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.713 19.728 -13.678 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.442 19.270 -15.634 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.676 18.712 -16.789 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.784 18.244 -15.075 1.00 0.00 H new ATOM 1436 N GLU A 51 10.557 21.034 -14.276 1.00 0.00 N ATOM 1437 CA GLU A 51 11.439 22.091 -13.811 1.00 0.00 C ATOM 1438 C GLU A 51 12.781 22.022 -14.544 1.00 0.00 C ATOM 1439 O GLU A 51 13.168 22.969 -15.227 1.00 0.00 O ATOM 1440 CB GLU A 51 11.637 22.015 -12.296 1.00 0.00 C ATOM 1441 CG GLU A 51 11.989 23.388 -11.720 1.00 0.00 C ATOM 1442 CD GLU A 51 10.902 24.414 -12.045 1.00 0.00 C ATOM 1443 OE1 GLU A 51 11.018 25.147 -13.038 1.00 0.00 O ATOM 1444 OE2 GLU A 51 9.908 24.434 -11.223 1.00 0.00 O ATOM 0 H GLU A 51 10.664 20.145 -13.788 1.00 0.00 H new ATOM 0 HA GLU A 51 10.973 23.051 -14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.728 21.641 -11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.431 21.305 -12.064 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.111 23.313 -10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.943 23.723 -12.126 1.00 0.00 H new ATOM 1452 N ARG A 52 13.453 20.893 -14.375 1.00 0.00 N ATOM 1453 CA ARG A 52 14.743 20.689 -15.011 1.00 0.00 C ATOM 1454 C ARG A 52 15.669 21.874 -14.729 1.00 0.00 C ATOM 1455 O ARG A 52 16.194 22.490 -15.654 1.00 0.00 O ATOM 1456 CB ARG A 52 14.591 20.518 -16.524 1.00 0.00 C ATOM 1457 CG ARG A 52 14.437 19.043 -16.898 1.00 0.00 C ATOM 1458 CD ARG A 52 15.783 18.318 -16.836 1.00 0.00 C ATOM 1459 NE ARG A 52 15.567 16.858 -16.731 1.00 0.00 N ATOM 1460 CZ ARG A 52 16.526 15.933 -16.948 1.00 0.00 C ATOM 1461 NH1 ARG A 52 17.778 16.311 -17.284 1.00 0.00 N ATOM 1462 NH2 ARG A 52 16.223 14.655 -16.827 1.00 0.00 N ATOM 0 H ARG A 52 13.129 20.110 -13.807 1.00 0.00 H new ATOM 0 HA ARG A 52 15.176 19.779 -14.596 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.722 21.077 -16.871 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.462 20.936 -17.030 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.730 18.564 -16.220 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.021 18.960 -17.902 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.369 18.544 -17.727 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.357 18.672 -15.979 1.00 0.00 H new ATOM 0 HE ARG A 52 14.635 16.530 -16.479 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.005 17.301 -17.375 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.497 15.606 -17.446 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.275 14.377 -16.573 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.937 13.944 -16.988 1.00 0.00 H new ATOM 1475 N GLN A 53 15.838 22.159 -13.447 1.00 0.00 N ATOM 1476 CA GLN A 53 16.690 23.260 -13.030 1.00 0.00 C ATOM 1477 C GLN A 53 16.717 23.363 -11.504 1.00 0.00 C ATOM 1478 O GLN A 53 16.308 24.377 -10.940 1.00 0.00 O ATOM 1479 CB GLN A 53 16.232 24.576 -13.661 1.00 0.00 C ATOM 1480 CG GLN A 53 17.415 25.524 -13.871 1.00 0.00 C ATOM 1481 CD GLN A 53 16.957 26.841 -14.501 1.00 0.00 C ATOM 1482 OE1 GLN A 53 16.180 27.592 -13.935 1.00 0.00 O ATOM 1483 NE2 GLN A 53 17.480 27.076 -15.701 1.00 0.00 N ATOM 0 H GLN A 53 15.399 21.646 -12.682 1.00 0.00 H new ATOM 0 HA GLN A 53 17.704 23.061 -13.378 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.747 24.376 -14.617 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.489 25.052 -13.020 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.900 25.723 -12.915 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.157 25.049 -14.512 1.00 0.00 H new ATOM 0 HE21 GLN A 53 18.125 26.404 -16.117 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.236 27.928 -16.206 1.00 0.00 H new ATOM 1492 N ALA A 54 17.202 22.300 -10.879 1.00 0.00 N ATOM 1493 CA ALA A 54 17.287 22.259 -9.429 1.00 0.00 C ATOM 1494 C ALA A 54 17.877 20.915 -8.996 1.00 0.00 C ATOM 1495 O ALA A 54 18.138 20.049 -9.830 1.00 0.00 O ATOM 1496 CB ALA A 54 15.902 22.507 -8.829 1.00 0.00 C ATOM 0 H ALA A 54 17.540 21.461 -11.350 1.00 0.00 H new ATOM 0 HA ALA A 54 17.947 23.044 -9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.966 22.476 -7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.539 23.485 -9.144 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.213 21.736 -9.174 1.00 0.00 H new ATOM 1502 N ASN A 55 18.070 20.783 -7.692 1.00 0.00 N ATOM 1503 CA ASN A 55 18.626 19.560 -7.137 1.00 0.00 C ATOM 1504 C ASN A 55 17.700 19.038 -6.036 1.00 0.00 C ATOM 1505 O ASN A 55 16.807 18.235 -6.301 1.00 0.00 O ATOM 1506 CB ASN A 55 20.002 19.811 -6.517 1.00 0.00 C ATOM 1507 CG ASN A 55 19.952 20.975 -5.524 1.00 0.00 C ATOM 1508 OD1 ASN A 55 19.455 20.859 -4.417 1.00 0.00 O ATOM 1509 ND2 ASN A 55 20.494 22.100 -5.982 1.00 0.00 N ATOM 0 H ASN A 55 17.851 21.503 -7.003 1.00 0.00 H new ATOM 0 HA ASN A 55 18.722 18.836 -7.946 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.346 18.910 -6.009 1.00 0.00 H new ATOM 0 HB3 ASN A 55 20.725 20.030 -7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 55 20.510 22.934 -5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.893 22.129 -6.920 1.00 0.00 H new TER 1516 ASN A 55 HETATM 1517 ZN ZN A 56 8.868 7.313 1.235 1.00 0.00 ZN HETATM 1518 ZN ZN A 57 10.130 18.146 -10.833 1.00 0.00 ZN