USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 245 hydrogens (59 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 18 PFF H2 : A 18 PFF N : A 17 GLN C :(H bumps) USER MOD NoAdj-H: A 18 PFF H : A 18 PFF N : A 17 GLN C :(H bumps) USER MOD NoAdj-H: A 20 PFF H2 : A 20 PFF N : A 19 GLY C :(H bumps) USER MOD NoAdj-H: A 20 PFF H : A 20 PFF N : A 19 GLY C :(H bumps) USER MOD Set 1.1: A 27 TYR OH : rot -20:sc= 1.33 USER MOD Set 1.2: A 34 NAG O3 : rot 141:sc= 1.27 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -176:sc= 3.74 (180deg=2.28) USER MOD Set 2.2: A 32 NAG O3 : rot 166:sc= 2.19 USER MOD Set 2.3: A 33 NAG O6 : rot -55:sc= 2.17 USER MOD Single : A 1 VAL N :NH3+ 155:sc= 0.845 (180deg=0.427) USER MOD Single : A 11 SER OG : rot 180:sc= 0.269 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -165:sc= 1.2 USER MOD Single : A 17 GLN : amide:sc= 0.845 K(o=0.85,f=-11!) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= 1.17 (180deg=1.02) USER MOD Single : A 32 NAG O1 : rot 180:sc= 0 USER MOD Single : A 32 NAG O6 : rot 30:sc= 0.0146 USER MOD Single : A 33 NAG O3 : rot 160:sc= 1.26 USER MOD Single : A 34 NAG O4 : rot -160:sc= 1.19 USER MOD Single : A 34 NAG O6 : rot 180:sc= 0.861 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.899 7.402 7.346 1.00 0.00 N ATOM 2 CA VAL A 1 7.263 6.023 7.719 1.00 0.00 C ATOM 3 C VAL A 1 6.067 5.118 7.495 1.00 0.00 C ATOM 4 O VAL A 1 4.957 5.506 7.842 1.00 0.00 O ATOM 5 CB VAL A 1 7.782 5.905 9.157 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.162 6.559 9.256 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.858 6.547 10.197 1.00 0.00 C ATOM 0 H1 VAL A 1 7.504 8.072 7.862 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.033 7.532 6.323 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.903 7.576 7.589 1.00 0.00 H new ATOM 0 HA VAL A 1 8.091 5.712 7.081 1.00 0.00 H new ATOM 0 HB VAL A 1 7.828 4.839 9.381 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.532 6.476 10.278 1.00 0.00 H new ATOM 0 HG12 VAL A 1 9.852 6.057 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.086 7.611 8.982 1.00 0.00 H new ATOM 0 HG21 VAL A 1 7.289 6.425 11.191 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.746 7.609 9.978 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.881 6.064 10.163 1.00 0.00 H new ATOM 19 N GLY A 2 6.290 3.958 6.881 1.00 0.00 N ATOM 20 CA GLY A 2 5.246 3.002 6.488 1.00 0.00 C ATOM 21 C GLY A 2 5.161 2.776 4.973 1.00 0.00 C ATOM 22 O GLY A 2 4.100 2.425 4.460 1.00 0.00 O ATOM 0 H GLY A 2 7.228 3.644 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.435 2.048 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.282 3.361 6.848 1.00 0.00 H new ATOM 26 N GLU A 3 6.240 3.049 4.242 1.00 0.00 N ATOM 27 CA GLU A 3 6.294 3.122 2.793 1.00 0.00 C ATOM 28 C GLU A 3 6.382 1.731 2.144 1.00 0.00 C ATOM 29 O GLU A 3 6.673 0.735 2.805 1.00 0.00 O ATOM 30 CB GLU A 3 7.520 3.968 2.401 1.00 0.00 C ATOM 31 CG GLU A 3 7.480 5.424 2.905 1.00 0.00 C ATOM 32 CD GLU A 3 7.666 5.610 4.422 1.00 0.00 C ATOM 33 OE1 GLU A 3 8.091 4.657 5.125 1.00 0.00 O ATOM 34 OE2 GLU A 3 7.321 6.703 4.925 1.00 0.00 O ATOM 0 H GLU A 3 7.146 3.234 4.673 1.00 0.00 H new ATOM 0 HA GLU A 3 5.374 3.580 2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.417 3.487 2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 3 7.608 3.975 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.257 5.989 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.524 5.862 2.618 1.00 0.00 H new ATOM 41 N CYS A 4 6.181 1.661 0.827 1.00 0.00 N ATOM 42 CA CYS A 4 6.387 0.441 0.057 1.00 0.00 C ATOM 43 C CYS A 4 7.596 0.533 -0.876 1.00 0.00 C ATOM 44 O CYS A 4 7.981 1.589 -1.378 1.00 0.00 O ATOM 45 CB CYS A 4 5.141 0.122 -0.770 1.00 0.00 C ATOM 46 SG CYS A 4 3.666 -0.267 0.199 1.00 0.00 S ATOM 0 H CYS A 4 5.870 2.454 0.266 1.00 0.00 H new ATOM 0 HA CYS A 4 6.579 -0.355 0.776 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.921 0.974 -1.413 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.362 -0.722 -1.423 1.00 0.00 H new ATOM 51 N VAL A 5 8.121 -0.636 -1.224 1.00 0.00 N ATOM 52 CA VAL A 5 9.232 -0.832 -2.146 1.00 0.00 C ATOM 53 C VAL A 5 8.705 -0.651 -3.562 1.00 0.00 C ATOM 54 O VAL A 5 8.428 -1.619 -4.270 1.00 0.00 O ATOM 55 CB VAL A 5 9.875 -2.214 -1.935 1.00 0.00 C ATOM 56 CG1 VAL A 5 11.119 -2.383 -2.814 1.00 0.00 C ATOM 57 CG2 VAL A 5 10.315 -2.384 -0.478 1.00 0.00 C ATOM 0 H VAL A 5 7.765 -1.516 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 5 10.018 -0.099 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 5 9.125 -2.959 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.553 -3.368 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 5 10.839 -2.285 -3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.851 -1.616 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.768 -3.367 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 5 11.043 -1.613 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.448 -2.293 0.177 1.00 0.00 H new ATOM 67 N ARG A 6 8.485 0.613 -3.943 1.00 0.00 N ATOM 68 CA ARG A 6 7.992 1.043 -5.260 1.00 0.00 C ATOM 69 C ARG A 6 6.778 0.248 -5.731 1.00 0.00 C ATOM 70 O ARG A 6 6.595 0.001 -6.919 1.00 0.00 O ATOM 71 CB ARG A 6 9.137 1.163 -6.293 1.00 0.00 C ATOM 72 CG ARG A 6 10.115 -0.018 -6.426 1.00 0.00 C ATOM 73 CD ARG A 6 9.563 -1.262 -7.137 1.00 0.00 C ATOM 74 NE ARG A 6 9.804 -1.214 -8.592 1.00 0.00 N ATOM 75 CZ ARG A 6 8.941 -0.944 -9.564 1.00 0.00 C ATOM 76 NH1 ARG A 6 7.699 -0.598 -9.333 1.00 0.00 N ATOM 77 NH2 ARG A 6 9.325 -1.017 -10.818 1.00 0.00 N ATOM 0 H ARG A 6 8.653 1.399 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 6 7.607 2.057 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.688 1.337 -7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.718 2.052 -6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.998 0.324 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.444 -0.308 -5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.029 -2.155 -6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.493 -1.343 -6.948 1.00 0.00 H new ATOM 0 HE ARG A 6 10.759 -1.415 -8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.359 -0.527 -8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.071 -0.400 -10.112 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.284 -1.281 -11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.664 -0.810 -11.567 1.00 0.00 H new ATOM 91 N GLY A 7 5.946 -0.131 -4.764 1.00 0.00 N ATOM 92 CA GLY A 7 4.655 -0.776 -5.006 1.00 0.00 C ATOM 93 C GLY A 7 4.363 -2.029 -4.176 1.00 0.00 C ATOM 94 O GLY A 7 3.207 -2.449 -4.153 1.00 0.00 O ATOM 0 H GLY A 7 6.152 0.003 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.867 -0.048 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.597 -1.042 -6.061 1.00 0.00 H new ATOM 98 N ARG A 8 5.336 -2.625 -3.465 1.00 0.00 N ATOM 99 CA ARG A 8 5.035 -3.739 -2.556 1.00 0.00 C ATOM 100 C ARG A 8 5.560 -3.512 -1.149 1.00 0.00 C ATOM 101 O ARG A 8 6.539 -2.815 -0.929 1.00 0.00 O ATOM 102 CB ARG A 8 5.606 -5.056 -3.103 1.00 0.00 C ATOM 103 CG ARG A 8 4.572 -5.939 -3.815 1.00 0.00 C ATOM 104 CD ARG A 8 3.274 -6.237 -3.042 1.00 0.00 C ATOM 105 NE ARG A 8 3.471 -6.747 -1.667 1.00 0.00 N ATOM 106 CZ ARG A 8 2.494 -7.185 -0.878 1.00 0.00 C ATOM 107 NH1 ARG A 8 1.244 -7.186 -1.265 1.00 0.00 N ATOM 108 NH2 ARG A 8 2.762 -7.604 0.330 1.00 0.00 N ATOM 0 H ARG A 8 6.320 -2.359 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 8 3.948 -3.798 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.414 -4.828 -3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.044 -5.620 -2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.306 -5.460 -4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.047 -6.888 -4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.679 -5.325 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.693 -6.967 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 8 4.422 -6.764 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.997 -6.845 -2.194 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.516 -7.528 -0.638 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.723 -7.596 0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.010 -7.939 0.932 1.00 0.00 H new ATOM 122 N CYS A 9 4.917 -4.180 -0.204 1.00 0.00 N ATOM 123 CA CYS A 9 5.329 -4.308 1.183 1.00 0.00 C ATOM 124 C CYS A 9 5.587 -5.803 1.430 1.00 0.00 C ATOM 125 O CYS A 9 5.206 -6.617 0.576 1.00 0.00 O ATOM 126 CB CYS A 9 4.152 -3.761 1.998 1.00 0.00 C ATOM 127 SG CYS A 9 4.408 -3.352 3.735 1.00 0.00 S ATOM 0 H CYS A 9 4.046 -4.674 -0.396 1.00 0.00 H new ATOM 0 HA CYS A 9 6.236 -3.767 1.452 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.795 -2.861 1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.347 -4.495 1.948 1.00 0.00 H new ATOM 132 N PRO A 10 6.180 -6.222 2.556 1.00 0.00 N ATOM 133 CA PRO A 10 6.165 -7.623 2.950 1.00 0.00 C ATOM 134 C PRO A 10 4.747 -8.093 3.309 1.00 0.00 C ATOM 135 O PRO A 10 3.820 -7.290 3.395 1.00 0.00 O ATOM 136 CB PRO A 10 7.109 -7.720 4.157 1.00 0.00 C ATOM 137 CG PRO A 10 7.983 -6.468 4.040 1.00 0.00 C ATOM 138 CD PRO A 10 7.012 -5.446 3.454 1.00 0.00 C ATOM 0 HA PRO A 10 6.489 -8.269 2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.557 -7.736 5.096 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.708 -8.630 4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.371 -6.151 5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.842 -6.631 3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.419 -4.968 4.233 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.540 -4.654 2.923 1.00 0.00 H new ATOM 146 N SER A 11 4.595 -9.395 3.573 1.00 0.00 N ATOM 147 CA SER A 11 3.400 -9.983 4.185 1.00 0.00 C ATOM 148 C SER A 11 2.074 -9.739 3.445 1.00 0.00 C ATOM 149 O SER A 11 2.006 -9.201 2.336 1.00 0.00 O ATOM 150 CB SER A 11 3.319 -9.507 5.639 1.00 0.00 C ATOM 151 OG SER A 11 2.392 -10.299 6.357 1.00 0.00 O ATOM 0 H SER A 11 5.316 -10.085 3.362 1.00 0.00 H new ATOM 0 HA SER A 11 3.524 -11.064 4.122 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.302 -9.570 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.017 -8.460 5.671 1.00 0.00 H new ATOM 0 HG SER A 11 2.347 -9.989 7.286 1.00 0.00 H new ATOM 157 N GLY A 12 0.980 -10.143 4.086 1.00 0.00 N ATOM 158 CA GLY A 12 -0.398 -9.979 3.618 1.00 0.00 C ATOM 159 C GLY A 12 -0.894 -8.531 3.664 1.00 0.00 C ATOM 160 O GLY A 12 -2.018 -8.283 4.088 1.00 0.00 O ATOM 0 H GLY A 12 1.030 -10.616 4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.471 -10.347 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.056 -10.599 4.227 1.00 0.00 H new ATOM 164 N MET A 13 -0.060 -7.575 3.250 1.00 0.00 N ATOM 165 CA MET A 13 -0.394 -6.156 3.168 1.00 0.00 C ATOM 166 C MET A 13 -0.647 -5.743 1.714 1.00 0.00 C ATOM 167 O MET A 13 -0.361 -6.501 0.785 1.00 0.00 O ATOM 168 CB MET A 13 0.771 -5.333 3.732 1.00 0.00 C ATOM 169 CG MET A 13 1.100 -5.661 5.190 1.00 0.00 C ATOM 170 SD MET A 13 -0.168 -5.156 6.380 1.00 0.00 S ATOM 171 CE MET A 13 0.674 -5.624 7.914 1.00 0.00 C ATOM 0 H MET A 13 0.895 -7.776 2.954 1.00 0.00 H new ATOM 0 HA MET A 13 -1.300 -5.973 3.746 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.657 -5.505 3.120 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.529 -4.273 3.652 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.257 -6.736 5.280 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.041 -5.178 5.454 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.037 -5.385 8.766 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.880 -6.694 7.904 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.612 -5.075 7.996 1.00 0.00 H new ATOM 181 N CYS A 14 -1.123 -4.514 1.512 1.00 0.00 N ATOM 182 CA CYS A 14 -1.275 -3.883 0.208 1.00 0.00 C ATOM 183 C CYS A 14 -0.627 -2.489 0.244 1.00 0.00 C ATOM 184 O CYS A 14 -0.266 -2.008 1.320 1.00 0.00 O ATOM 185 CB CYS A 14 -2.770 -3.785 -0.125 1.00 0.00 C ATOM 186 SG CYS A 14 -3.783 -5.241 0.283 1.00 0.00 S ATOM 0 H CYS A 14 -1.422 -3.913 2.280 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.782 -4.474 -0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.182 -2.923 0.400 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.871 -3.586 -1.192 1.00 0.00 H new ATOM 191 N CYS A 15 -0.481 -1.837 -0.913 1.00 0.00 N ATOM 192 CA CYS A 15 0.197 -0.551 -1.029 1.00 0.00 C ATOM 193 C CYS A 15 -0.674 0.509 -1.708 1.00 0.00 C ATOM 194 O CYS A 15 -1.434 0.198 -2.632 1.00 0.00 O ATOM 195 CB CYS A 15 1.472 -0.781 -1.834 1.00 0.00 C ATOM 196 SG CYS A 15 2.724 -1.692 -0.908 1.00 0.00 S ATOM 0 H CYS A 15 -0.835 -2.193 -1.801 1.00 0.00 H new ATOM 0 HA CYS A 15 0.418 -0.171 -0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.228 -1.329 -2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.882 0.181 -2.141 1.00 0.00 H new ATOM 201 N SER A 16 -0.535 1.772 -1.293 1.00 0.00 N ATOM 202 CA SER A 16 -1.306 2.897 -1.820 1.00 0.00 C ATOM 203 C SER A 16 -0.555 3.659 -2.912 1.00 0.00 C ATOM 204 O SER A 16 0.674 3.657 -2.957 1.00 0.00 O ATOM 205 CB SER A 16 -1.630 3.864 -0.676 1.00 0.00 C ATOM 206 OG SER A 16 -0.476 4.570 -0.249 1.00 0.00 O ATOM 0 H SER A 16 0.129 2.044 -0.568 1.00 0.00 H new ATOM 0 HA SER A 16 -2.216 2.491 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.391 4.573 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.049 3.309 0.163 1.00 0.00 H new ATOM 0 HG SER A 16 -0.655 4.997 0.615 1.00 0.00 H new ATOM 212 N GLN A 17 -1.278 4.415 -3.745 1.00 0.00 N ATOM 213 CA GLN A 17 -0.672 5.358 -4.685 1.00 0.00 C ATOM 214 C GLN A 17 0.075 6.493 -3.972 1.00 0.00 C ATOM 215 O GLN A 17 0.887 7.173 -4.589 1.00 0.00 O ATOM 216 CB GLN A 17 -1.751 5.947 -5.607 1.00 0.00 C ATOM 217 CG GLN A 17 -2.137 5.020 -6.767 1.00 0.00 C ATOM 218 CD GLN A 17 -2.796 3.724 -6.316 1.00 0.00 C ATOM 219 OE1 GLN A 17 -3.375 3.631 -5.239 1.00 0.00 O ATOM 220 NE2 GLN A 17 -2.708 2.672 -7.109 1.00 0.00 N ATOM 0 H GLN A 17 -2.297 4.389 -3.785 1.00 0.00 H new ATOM 0 HA GLN A 17 0.059 4.803 -5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.641 6.168 -5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.394 6.894 -6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.816 5.550 -7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.243 4.782 -7.344 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.227 2.748 -8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.121 1.784 -6.825 1.00 0.00 H new HETATM 229 N PFF A 18 -0.141 6.669 -2.666 1.00 0.00 N HETATM 230 CA PFF A 18 0.652 7.586 -1.852 1.00 0.00 C HETATM 231 C PFF A 18 1.969 6.942 -1.396 1.00 0.00 C HETATM 232 O PFF A 18 2.782 7.597 -0.750 1.00 0.00 O HETATM 233 CB PFF A 18 -0.198 8.060 -0.665 1.00 0.00 C HETATM 234 CG PFF A 18 -1.578 8.521 -1.088 1.00 0.00 C HETATM 235 CD1 PFF A 18 -1.715 9.702 -1.838 1.00 0.00 C HETATM 236 CD2 PFF A 18 -2.685 7.665 -0.926 1.00 0.00 C HETATM 237 CE1 PFF A 18 -2.950 10.024 -2.428 1.00 0.00 C HETATM 238 CE2 PFF A 18 -3.929 8.002 -1.493 1.00 0.00 C HETATM 239 CZ PFF A 18 -4.062 9.184 -2.241 1.00 0.00 C HETATM 240 F PFF A 18 -5.261 9.507 -2.791 1.00 0.00 F HETATM 0 HE2 PFF A 18 -4.788 7.346 -1.352 1.00 0.00 H new HETATM 0 HE1 PFF A 18 -3.046 10.927 -3.032 1.00 0.00 H new HETATM 0 HD2 PFF A 18 -2.578 6.739 -0.360 1.00 0.00 H new HETATM 0 HD1 PFF A 18 -0.862 10.369 -1.962 1.00 0.00 H new HETATM 0 HB3 PFF A 18 -0.295 7.248 0.056 1.00 0.00 H new HETATM 0 HB2 PFF A 18 0.315 8.877 -0.158 1.00 0.00 H new HETATM 0 HA PFF A 18 0.932 8.451 -2.453 1.00 0.00 H new ATOM 249 N GLY A 19 2.192 5.665 -1.731 1.00 0.00 N ATOM 250 CA GLY A 19 3.439 4.964 -1.468 1.00 0.00 C ATOM 251 C GLY A 19 3.451 4.202 -0.148 1.00 0.00 C ATOM 252 O GLY A 19 4.508 3.701 0.225 1.00 0.00 O ATOM 0 H GLY A 19 1.495 5.087 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.630 4.265 -2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.257 5.685 -1.468 1.00 0.00 H new HETATM 256 N PFF A 20 2.326 4.103 0.571 1.00 0.00 N HETATM 257 CA PFF A 20 2.311 3.535 1.917 1.00 0.00 C HETATM 258 C PFF A 20 1.663 2.148 1.974 1.00 0.00 C HETATM 259 O PFF A 20 0.895 1.772 1.088 1.00 0.00 O HETATM 260 CB PFF A 20 1.599 4.513 2.848 1.00 0.00 C HETATM 261 CG PFF A 20 2.406 5.752 3.163 1.00 0.00 C HETATM 262 CD1 PFF A 20 2.319 6.890 2.341 1.00 0.00 C HETATM 263 CD2 PFF A 20 3.292 5.746 4.255 1.00 0.00 C HETATM 264 CE1 PFF A 20 3.123 8.013 2.604 1.00 0.00 C HETATM 265 CE2 PFF A 20 4.095 6.869 4.518 1.00 0.00 C HETATM 266 CZ PFF A 20 4.019 7.999 3.687 1.00 0.00 C HETATM 267 F PFF A 20 4.755 9.104 3.977 1.00 0.00 F HETATM 0 HE2 PFF A 20 4.778 6.863 5.368 1.00 0.00 H new HETATM 0 HE1 PFF A 20 3.051 8.895 1.968 1.00 0.00 H new HETATM 0 HD2 PFF A 20 3.356 4.869 4.899 1.00 0.00 H new HETATM 0 HD1 PFF A 20 1.627 6.901 1.499 1.00 0.00 H new HETATM 0 HB3 PFF A 20 0.655 4.812 2.393 1.00 0.00 H new HETATM 0 HB2 PFF A 20 1.356 4.002 3.780 1.00 0.00 H new HETATM 0 HA PFF A 20 3.342 3.389 2.239 1.00 0.00 H new ATOM 276 N CYS A 21 1.959 1.404 3.041 1.00 0.00 N ATOM 277 CA CYS A 21 1.599 0.002 3.218 1.00 0.00 C ATOM 278 C CYS A 21 0.504 -0.203 4.267 1.00 0.00 C ATOM 279 O CYS A 21 0.525 0.412 5.330 1.00 0.00 O ATOM 280 CB CYS A 21 2.863 -0.741 3.666 1.00 0.00 C ATOM 281 SG CYS A 21 2.637 -2.460 4.189 1.00 0.00 S ATOM 0 H CYS A 21 2.477 1.780 3.835 1.00 0.00 H new ATOM 0 HA CYS A 21 1.207 -0.376 2.274 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.579 -0.724 2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.311 -0.188 4.491 1.00 0.00 H new ATOM 286 N GLY A 22 -0.400 -1.151 4.012 1.00 0.00 N ATOM 287 CA GLY A 22 -1.257 -1.713 5.050 1.00 0.00 C ATOM 288 C GLY A 22 -2.238 -2.742 4.492 1.00 0.00 C ATOM 289 O GLY A 22 -2.438 -2.835 3.282 1.00 0.00 O ATOM 0 H GLY A 22 -0.556 -1.547 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.638 -2.181 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.812 -0.910 5.535 1.00 0.00 H new ATOM 293 N LYS A 23 -2.896 -3.506 5.369 1.00 0.00 N ATOM 294 CA LYS A 23 -3.972 -4.428 4.990 1.00 0.00 C ATOM 295 C LYS A 23 -5.327 -3.814 5.341 1.00 0.00 C ATOM 296 O LYS A 23 -6.082 -4.372 6.140 1.00 0.00 O ATOM 297 CB LYS A 23 -3.767 -5.790 5.666 1.00 0.00 C ATOM 298 CG LYS A 23 -4.707 -6.846 5.059 1.00 0.00 C ATOM 299 CD LYS A 23 -4.874 -8.064 5.975 1.00 0.00 C ATOM 300 CE LYS A 23 -5.434 -7.708 7.360 1.00 0.00 C ATOM 301 NZ LYS A 23 -6.640 -6.847 7.281 1.00 0.00 N ATOM 0 H LYS A 23 -2.696 -3.502 6.369 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.950 -4.593 3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.731 -6.108 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.954 -5.702 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.683 -6.397 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.314 -7.169 4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.539 -8.783 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.908 -8.555 6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.681 -8.625 7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.665 -7.198 7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.152 -6.883 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.354 -5.867 7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.260 -7.187 6.519 1.00 0.00 H new ATOM 315 N GLY A 24 -5.625 -2.657 4.753 1.00 0.00 N ATOM 316 CA GLY A 24 -6.884 -1.954 4.979 1.00 0.00 C ATOM 317 C GLY A 24 -7.309 -1.140 3.758 1.00 0.00 C ATOM 318 O GLY A 24 -6.505 -0.932 2.843 1.00 0.00 O ATOM 0 H GLY A 24 -4.998 -2.180 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.664 -2.675 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.781 -1.292 5.839 1.00 0.00 H new ATOM 322 N PRO A 25 -8.566 -0.662 3.744 1.00 0.00 N ATOM 323 CA PRO A 25 -9.225 -0.078 2.584 1.00 0.00 C ATOM 324 C PRO A 25 -8.343 0.868 1.774 1.00 0.00 C ATOM 325 O PRO A 25 -8.080 0.607 0.602 1.00 0.00 O ATOM 326 CB PRO A 25 -10.482 0.601 3.132 1.00 0.00 C ATOM 327 CG PRO A 25 -10.864 -0.329 4.283 1.00 0.00 C ATOM 328 CD PRO A 25 -9.508 -0.752 4.851 1.00 0.00 C ATOM 0 HA PRO A 25 -9.469 -0.851 1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.282 1.616 3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.270 0.668 2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.472 0.182 5.029 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.440 -1.186 3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.209 -0.101 5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.550 -1.767 5.247 1.00 0.00 H new ATOM 336 N LYS A 26 -7.827 1.938 2.381 1.00 0.00 N ATOM 337 CA LYS A 26 -7.076 2.945 1.639 1.00 0.00 C ATOM 338 C LYS A 26 -5.694 2.479 1.175 1.00 0.00 C ATOM 339 O LYS A 26 -5.109 3.107 0.297 1.00 0.00 O ATOM 340 CB LYS A 26 -7.003 4.231 2.460 1.00 0.00 C ATOM 341 CG LYS A 26 -8.407 4.714 2.857 1.00 0.00 C ATOM 342 CD LYS A 26 -8.434 6.213 3.179 1.00 0.00 C ATOM 343 CE LYS A 26 -9.016 7.044 2.028 1.00 0.00 C ATOM 344 NZ LYS A 26 -8.208 6.965 0.792 1.00 0.00 N ATOM 0 H LYS A 26 -7.916 2.127 3.379 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.619 3.135 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.407 4.061 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.498 5.006 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.104 4.506 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.751 4.151 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.026 6.379 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.422 6.554 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.029 6.701 1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.091 8.086 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.612 7.598 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.230 7.253 0.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.213 5.988 0.436 1.00 0.00 H new ATOM 358 N TYR A 27 -5.199 1.354 1.693 1.00 0.00 N ATOM 359 CA TYR A 27 -3.949 0.757 1.234 1.00 0.00 C ATOM 360 C TYR A 27 -4.199 -0.281 0.152 1.00 0.00 C ATOM 361 O TYR A 27 -3.393 -0.451 -0.759 1.00 0.00 O ATOM 362 CB TYR A 27 -3.270 0.064 2.409 1.00 0.00 C ATOM 363 CG TYR A 27 -2.906 1.022 3.519 1.00 0.00 C ATOM 364 CD1 TYR A 27 -1.796 1.867 3.356 1.00 0.00 C ATOM 365 CD2 TYR A 27 -3.751 1.180 4.634 1.00 0.00 C ATOM 366 CE1 TYR A 27 -1.502 2.837 4.328 1.00 0.00 C ATOM 367 CE2 TYR A 27 -3.495 2.205 5.565 1.00 0.00 C ATOM 368 CZ TYR A 27 -2.372 3.032 5.410 1.00 0.00 C ATOM 369 OH TYR A 27 -2.203 4.111 6.218 1.00 0.00 O ATOM 0 H TYR A 27 -5.655 0.833 2.442 1.00 0.00 H new ATOM 0 HA TYR A 27 -3.322 1.550 0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.932 -0.707 2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.369 -0.438 2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.168 1.771 2.483 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.592 0.518 4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.605 3.433 4.242 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.164 2.355 6.400 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.290 4.453 6.121 1.00 0.00 H new ATOM 379 N CYS A 28 -5.314 -0.998 0.270 1.00 0.00 N ATOM 380 CA CYS A 28 -5.622 -2.106 -0.608 1.00 0.00 C ATOM 381 C CYS A 28 -6.635 -1.743 -1.705 1.00 0.00 C ATOM 382 O CYS A 28 -6.330 -1.899 -2.887 1.00 0.00 O ATOM 383 CB CYS A 28 -6.060 -3.269 0.273 1.00 0.00 C ATOM 384 SG CYS A 28 -5.639 -4.854 -0.485 1.00 0.00 S ATOM 0 H CYS A 28 -6.025 -0.821 0.980 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.737 -2.394 -1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.581 -3.190 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.136 -3.217 0.441 1.00 0.00 H new ATOM 389 N GLY A 29 -7.789 -1.173 -1.352 1.00 0.00 N ATOM 390 CA GLY A 29 -8.811 -0.735 -2.308 1.00 0.00 C ATOM 391 C GLY A 29 -8.776 0.766 -2.622 1.00 0.00 C ATOM 392 O GLY A 29 -9.541 1.225 -3.464 1.00 0.00 O ATOM 0 H GLY A 29 -8.045 -1.000 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.686 -1.292 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.795 -0.989 -1.913 1.00 0.00 H new ATOM 396 N ARG A 30 -7.918 1.539 -1.943 1.00 0.00 N ATOM 397 CA ARG A 30 -7.730 2.996 -2.071 1.00 0.00 C ATOM 398 C ARG A 30 -8.905 3.804 -1.516 1.00 0.00 C ATOM 399 O ARG A 30 -8.704 4.711 -0.709 1.00 0.00 O ATOM 400 CB ARG A 30 -7.451 3.435 -3.520 1.00 0.00 C ATOM 401 CG ARG A 30 -6.139 2.908 -4.110 1.00 0.00 C ATOM 402 CD ARG A 30 -6.255 1.574 -4.870 1.00 0.00 C ATOM 403 NE ARG A 30 -5.631 0.434 -4.174 1.00 0.00 N ATOM 404 CZ ARG A 30 -4.347 0.284 -3.885 1.00 0.00 C ATOM 405 NH1 ARG A 30 -3.442 1.195 -4.111 1.00 0.00 N ATOM 406 NH2 ARG A 30 -3.921 -0.809 -3.321 1.00 0.00 N ATOM 0 H ARG A 30 -7.294 1.139 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.850 3.211 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.276 3.103 -4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.439 4.524 -3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.735 3.660 -4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.418 2.787 -3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.309 1.353 -5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.794 1.685 -5.851 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.254 -0.320 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.708 2.084 -4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.468 1.018 -3.865 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.577 -1.557 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.931 -0.917 -3.102 1.00 0.00 H new HETATM 420 N NH2 A 31 -10.125 3.486 -1.923 1.00 0.00 N TER 423 NH2 A 31 HETATM 424 C1 NAG A 32 -8.426 12.934 -1.772 1.00 0.00 C HETATM 425 C2 NAG A 32 -8.319 11.715 -0.863 1.00 0.00 C HETATM 426 C3 NAG A 32 -7.272 12.023 0.214 1.00 0.00 C HETATM 427 C4 NAG A 32 -5.925 12.386 -0.437 1.00 0.00 C HETATM 428 C5 NAG A 32 -6.188 13.600 -1.336 1.00 0.00 C HETATM 429 C6 NAG A 32 -4.914 14.041 -2.074 1.00 0.00 C HETATM 430 C7 NAG A 32 -10.052 10.125 -0.077 1.00 0.00 C HETATM 431 C8 NAG A 32 -11.437 9.999 0.477 1.00 0.00 C HETATM 432 N2 NAG A 32 -9.629 11.366 -0.277 1.00 0.00 N HETATM 433 O1 NAG A 32 -9.195 12.633 -2.866 1.00 0.00 O HETATM 434 O3 NAG A 32 -7.108 10.893 1.044 1.00 0.00 O HETATM 435 O4 NAG A 32 -4.896 12.714 0.539 1.00 0.00 O HETATM 436 O5 NAG A 32 -7.162 13.268 -2.317 1.00 0.00 O HETATM 437 O6 NAG A 32 -4.429 12.997 -2.897 1.00 0.00 O HETATM 438 O7 NAG A 32 -9.386 9.120 -0.307 1.00 0.00 O HETATM 0 HO6 NAG A 32 -5.180 12.448 -3.206 1.00 0.00 H new HETATM 0 HO3 NAG A 32 -6.294 10.996 1.580 1.00 0.00 H new HETATM 0 HO1 NAG A 32 -9.261 13.420 -3.446 1.00 0.00 H new HETATM 0 HN2 NAG A 32 -10.249 12.130 -0.008 1.00 0.00 H new HETATM 0 H83 NAG A 32 -11.490 10.501 1.443 1.00 0.00 H new HETATM 0 H82 NAG A 32 -12.147 10.459 -0.210 1.00 0.00 H new HETATM 0 H81 NAG A 32 -11.684 8.945 0.602 1.00 0.00 H new HETATM 0 H62 NAG A 32 -5.125 14.922 -2.681 1.00 0.00 H new HETATM 0 H61 NAG A 32 -4.149 14.327 -1.352 1.00 0.00 H new HETATM 0 H5 NAG A 32 -6.534 14.411 -0.695 1.00 0.00 H new HETATM 0 H4 NAG A 32 -5.552 11.527 -0.995 1.00 0.00 H new HETATM 0 H3 NAG A 32 -7.613 12.870 0.809 1.00 0.00 H new HETATM 0 H2 NAG A 32 -8.006 10.843 -1.437 1.00 0.00 H new HETATM 0 H1 NAG A 32 -8.840 13.741 -1.168 1.00 0.00 H new HETATM 453 C1 NAG A 33 -3.973 11.713 0.840 1.00 0.00 C HETATM 454 C2 NAG A 33 -2.778 12.221 1.634 1.00 0.00 C HETATM 455 C3 NAG A 33 -1.945 10.995 2.058 1.00 0.00 C HETATM 456 C4 NAG A 33 -2.771 9.918 2.789 1.00 0.00 C HETATM 457 C5 NAG A 33 -3.961 9.599 1.883 1.00 0.00 C HETATM 458 C6 NAG A 33 -4.977 8.608 2.473 1.00 0.00 C HETATM 459 C7 NAG A 33 -2.134 14.484 0.875 1.00 0.00 C HETATM 460 C8 NAG A 33 -1.189 15.275 0.023 1.00 0.00 C HETATM 461 N2 NAG A 33 -1.976 13.167 0.834 1.00 0.00 N HETATM 462 O3 NAG A 33 -0.917 11.445 2.907 1.00 0.00 O HETATM 463 O4 NAG A 33 -2.000 8.707 2.980 1.00 0.00 O HETATM 464 O5 NAG A 33 -4.667 10.793 1.658 1.00 0.00 O HETATM 465 O6 NAG A 33 -6.055 8.397 1.562 1.00 0.00 O HETATM 466 O7 NAG A 33 -2.983 15.046 1.549 1.00 0.00 O HETATM 0 HO6 NAG A 33 -6.460 9.258 1.330 1.00 0.00 H new HETATM 0 HO3 NAG A 33 -0.575 10.693 3.434 1.00 0.00 H new HETATM 0 HN2 NAG A 33 -1.260 12.787 0.215 1.00 0.00 H new HETATM 0 H83 NAG A 33 -0.164 15.079 0.338 1.00 0.00 H new HETATM 0 H82 NAG A 33 -1.310 14.984 -1.021 1.00 0.00 H new HETATM 0 H81 NAG A 33 -1.405 16.338 0.131 1.00 0.00 H new HETATM 0 H62 NAG A 33 -4.485 7.660 2.690 1.00 0.00 H new HETATM 0 H61 NAG A 33 -5.361 8.991 3.418 1.00 0.00 H new HETATM 0 H5 NAG A 33 -3.538 9.145 0.987 1.00 0.00 H new HETATM 0 H4 NAG A 33 -3.076 10.281 3.770 1.00 0.00 H new HETATM 0 H3 NAG A 33 -1.556 10.526 1.154 1.00 0.00 H new HETATM 0 H2 NAG A 33 -3.112 12.767 2.516 1.00 0.00 H new HETATM 480 C1 NAG A 34 -1.491 8.428 4.246 1.00 0.00 C HETATM 481 C2 NAG A 34 -1.011 6.978 4.285 1.00 0.00 C HETATM 482 C3 NAG A 34 -0.427 6.795 5.685 1.00 0.00 C HETATM 483 C4 NAG A 34 0.743 7.748 5.882 1.00 0.00 C HETATM 484 C5 NAG A 34 0.215 9.180 5.743 1.00 0.00 C HETATM 485 C6 NAG A 34 1.387 10.170 5.883 1.00 0.00 C HETATM 486 C7 NAG A 34 -2.424 5.598 2.809 1.00 0.00 C HETATM 487 C8 NAG A 34 -3.732 4.883 2.682 1.00 0.00 C HETATM 488 N2 NAG A 34 -2.120 6.043 4.021 1.00 0.00 N HETATM 489 O3 NAG A 34 0.117 5.517 5.889 1.00 0.00 O HETATM 490 O4 NAG A 34 1.326 7.453 7.145 1.00 0.00 O HETATM 491 O5 NAG A 34 -0.403 9.325 4.468 1.00 0.00 O HETATM 492 O6 NAG A 34 2.133 9.952 7.073 1.00 0.00 O HETATM 493 O7 NAG A 34 -1.726 5.776 1.819 1.00 0.00 O HETATM 0 HO6 NAG A 34 2.867 10.599 7.122 1.00 0.00 H new HETATM 0 HO4 NAG A 34 1.849 8.223 7.452 1.00 0.00 H new HETATM 0 HO3 NAG A 34 0.942 5.592 6.412 1.00 0.00 H new HETATM 0 HN2 NAG A 34 -2.682 5.722 4.810 1.00 0.00 H new HETATM 0 H83 NAG A 34 -3.734 4.010 3.334 1.00 0.00 H new HETATM 0 H82 NAG A 34 -4.542 5.553 2.970 1.00 0.00 H new HETATM 0 H81 NAG A 34 -3.874 4.565 1.649 1.00 0.00 H new HETATM 0 H62 NAG A 34 2.046 10.075 5.020 1.00 0.00 H new HETATM 0 H61 NAG A 34 1.002 11.190 5.879 1.00 0.00 H new HETATM 0 H5 NAG A 34 -0.518 9.387 6.522 1.00 0.00 H new HETATM 0 H4 NAG A 34 1.529 7.635 5.135 1.00 0.00 H new HETATM 0 H3 NAG A 34 -1.255 6.971 6.371 1.00 0.00 H new HETATM 0 H2 NAG A 34 -0.270 6.767 3.514 1.00 0.00 H new