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 180:sc= 0.978 USER MOD Set 1.2: A 34 NAG O3 : rot -72:sc= 1.24 USER MOD Set 2.1: A 26 LYS NZ :NH3+ 162:sc= 2.85 (180deg=0.455) USER MOD Set 2.2: A 32 NAG O3 : rot -167:sc= 1.53 USER MOD Set 2.3: A 33 NAG O6 : rot 124:sc= 0.965 USER MOD Single : A 1 VAL N :NH3+ -114:sc= 0.221 (180deg=-0.202) USER MOD Single : A 11 SER OG : rot 45:sc= 0.975 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -163:sc= 0.882 USER MOD Single : A 17 GLN : amide:sc= 1.78 K(o=1.8,f=-11!) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 2.44 (180deg=1.42) USER MOD Single : A 32 NAG O1 : rot -140:sc= 0.658 USER MOD Single : A 32 NAG O6 : rot -92:sc= 2.13 USER MOD Single : A 33 NAG O3 : rot 149:sc= 1.22 USER MOD Single : A 34 NAG O4 : rot -155:sc= 1.21 USER MOD Single : A 34 NAG O6 : rot 180:sc= 0.956 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 9.349 6.902 5.629 1.00 0.00 N ATOM 2 CA VAL A 1 9.363 5.663 6.433 1.00 0.00 C ATOM 3 C VAL A 1 7.948 5.121 6.537 1.00 0.00 C ATOM 4 O VAL A 1 7.089 5.801 7.085 1.00 0.00 O ATOM 5 CB VAL A 1 9.955 5.879 7.831 1.00 0.00 C ATOM 6 CG1 VAL A 1 10.010 4.557 8.603 1.00 0.00 C ATOM 7 CG2 VAL A 1 11.383 6.423 7.725 1.00 0.00 C ATOM 0 H1 VAL A 1 9.870 6.746 4.742 1.00 0.00 H new ATOM 0 H2 VAL A 1 8.366 7.164 5.412 1.00 0.00 H new ATOM 0 H3 VAL A 1 9.801 7.669 6.166 1.00 0.00 H new ATOM 0 HA VAL A 1 10.006 4.942 5.928 1.00 0.00 H new ATOM 0 HB VAL A 1 9.316 6.591 8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.433 4.731 9.592 1.00 0.00 H new ATOM 0 HG12 VAL A 1 9.003 4.153 8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 1 10.633 3.845 8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 1 11.791 6.572 8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 1 12.004 5.711 7.182 1.00 0.00 H new ATOM 0 HG23 VAL A 1 11.371 7.374 7.193 1.00 0.00 H new ATOM 19 N GLY A 2 7.710 3.937 5.975 1.00 0.00 N ATOM 20 CA GLY A 2 6.381 3.330 5.841 1.00 0.00 C ATOM 21 C GLY A 2 5.861 3.308 4.397 1.00 0.00 C ATOM 22 O GLY A 2 4.726 2.909 4.153 1.00 0.00 O ATOM 0 H GLY A 2 8.454 3.356 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.416 2.309 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.675 3.878 6.465 1.00 0.00 H new ATOM 26 N GLU A 3 6.680 3.742 3.438 1.00 0.00 N ATOM 27 CA GLU A 3 6.430 3.694 2.003 1.00 0.00 C ATOM 28 C GLU A 3 6.646 2.280 1.456 1.00 0.00 C ATOM 29 O GLU A 3 7.454 1.514 1.976 1.00 0.00 O ATOM 30 CB GLU A 3 7.291 4.744 1.275 1.00 0.00 C ATOM 31 CG GLU A 3 8.808 4.688 1.532 1.00 0.00 C ATOM 32 CD GLU A 3 9.200 5.242 2.908 1.00 0.00 C ATOM 33 OE1 GLU A 3 9.374 6.472 3.054 1.00 0.00 O ATOM 34 OE2 GLU A 3 9.213 4.466 3.894 1.00 0.00 O ATOM 0 H GLU A 3 7.585 4.159 3.657 1.00 0.00 H new ATOM 0 HA GLU A 3 5.386 3.944 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.123 4.639 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.934 5.734 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.147 3.655 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.324 5.255 0.757 1.00 0.00 H new ATOM 41 N CYS A 4 5.909 1.905 0.411 1.00 0.00 N ATOM 42 CA CYS A 4 6.009 0.556 -0.113 1.00 0.00 C ATOM 43 C CYS A 4 7.248 0.334 -0.979 1.00 0.00 C ATOM 44 O CYS A 4 7.792 1.227 -1.628 1.00 0.00 O ATOM 45 CB CYS A 4 4.749 0.206 -0.900 1.00 0.00 C ATOM 46 SG CYS A 4 4.415 1.213 -2.360 1.00 0.00 S ATOM 0 H CYS A 4 5.249 2.509 -0.078 1.00 0.00 H new ATOM 0 HA CYS A 4 6.109 -0.106 0.747 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.818 -0.836 -1.211 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.894 0.282 -0.229 1.00 0.00 H new ATOM 51 N VAL A 5 7.616 -0.935 -1.094 1.00 0.00 N ATOM 52 CA VAL A 5 8.711 -1.422 -1.922 1.00 0.00 C ATOM 53 C VAL A 5 8.222 -1.469 -3.364 1.00 0.00 C ATOM 54 O VAL A 5 7.910 -2.536 -3.891 1.00 0.00 O ATOM 55 CB VAL A 5 9.195 -2.792 -1.419 1.00 0.00 C ATOM 56 CG1 VAL A 5 10.443 -3.252 -2.179 1.00 0.00 C ATOM 57 CG2 VAL A 5 9.560 -2.724 0.067 1.00 0.00 C ATOM 0 H VAL A 5 7.140 -1.684 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 5 9.571 -0.755 -1.864 1.00 0.00 H new ATOM 0 HB VAL A 5 8.378 -3.495 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.762 -4.224 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 5 10.213 -3.333 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.244 -2.527 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.900 -3.703 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.356 -1.994 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.684 -2.426 0.644 1.00 0.00 H new ATOM 67 N ARG A 6 8.044 -0.282 -3.960 1.00 0.00 N ATOM 68 CA ARG A 6 7.627 -0.031 -5.349 1.00 0.00 C ATOM 69 C ARG A 6 6.500 -0.952 -5.823 1.00 0.00 C ATOM 70 O ARG A 6 6.450 -1.396 -6.973 1.00 0.00 O ATOM 71 CB ARG A 6 8.847 0.104 -6.288 1.00 0.00 C ATOM 72 CG ARG A 6 10.054 -0.852 -6.137 1.00 0.00 C ATOM 73 CD ARG A 6 9.845 -2.338 -6.467 1.00 0.00 C ATOM 74 NE ARG A 6 8.787 -2.535 -7.459 1.00 0.00 N ATOM 75 CZ ARG A 6 8.821 -2.252 -8.748 1.00 0.00 C ATOM 76 NH1 ARG A 6 9.936 -2.265 -9.438 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.697 -1.916 -9.331 1.00 0.00 N ATOM 0 H ARG A 6 8.198 0.588 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 6 7.147 0.947 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.481 0.004 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.225 1.121 -6.183 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.857 -0.479 -6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.406 -0.785 -5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.777 -2.761 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.593 -2.880 -5.555 1.00 0.00 H new ATOM 0 HE ARG A 6 7.918 -2.940 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.817 -2.500 -8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.923 -2.041 -10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.833 -1.880 -8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.686 -1.691 -10.326 1.00 0.00 H new ATOM 91 N GLY A 7 5.606 -1.247 -4.885 1.00 0.00 N ATOM 92 CA GLY A 7 4.478 -2.161 -5.071 1.00 0.00 C ATOM 93 C GLY A 7 4.263 -3.155 -3.925 1.00 0.00 C ATOM 94 O GLY A 7 3.159 -3.681 -3.787 1.00 0.00 O ATOM 0 H GLY A 7 5.645 -0.847 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.569 -1.573 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.629 -2.720 -5.995 1.00 0.00 H new ATOM 98 N ARG A 8 5.281 -3.432 -3.096 1.00 0.00 N ATOM 99 CA ARG A 8 5.196 -4.487 -2.076 1.00 0.00 C ATOM 100 C ARG A 8 5.500 -3.995 -0.666 1.00 0.00 C ATOM 101 O ARG A 8 5.792 -2.831 -0.432 1.00 0.00 O ATOM 102 CB ARG A 8 6.103 -5.659 -2.500 1.00 0.00 C ATOM 103 CG ARG A 8 5.299 -6.725 -3.260 1.00 0.00 C ATOM 104 CD ARG A 8 4.932 -7.949 -2.403 1.00 0.00 C ATOM 105 NE ARG A 8 4.321 -7.630 -1.099 1.00 0.00 N ATOM 106 CZ ARG A 8 3.072 -7.264 -0.853 1.00 0.00 C ATOM 107 NH1 ARG A 8 2.241 -6.849 -1.776 1.00 0.00 N ATOM 108 NH2 ARG A 8 2.629 -7.261 0.374 1.00 0.00 N ATOM 0 H ARG A 8 6.174 -2.939 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 8 4.163 -4.829 -2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.912 -5.289 -3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.564 -6.105 -1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.384 -6.273 -3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.876 -7.056 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.243 -8.577 -2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.833 -8.538 -2.232 1.00 0.00 H new ATOM 0 HE ARG A 8 4.935 -7.700 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.545 -6.794 -2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.290 -6.581 -1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.244 -7.540 1.139 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.668 -6.980 0.569 1.00 0.00 H new ATOM 122 N CYS A 9 5.369 -4.908 0.285 1.00 0.00 N ATOM 123 CA CYS A 9 5.557 -4.778 1.716 1.00 0.00 C ATOM 124 C CYS A 9 5.277 -6.183 2.289 1.00 0.00 C ATOM 125 O CYS A 9 5.069 -7.112 1.493 1.00 0.00 O ATOM 126 CB CYS A 9 4.607 -3.696 2.244 1.00 0.00 C ATOM 127 SG CYS A 9 5.437 -2.238 2.929 1.00 0.00 S ATOM 0 H CYS A 9 5.099 -5.861 0.042 1.00 0.00 H new ATOM 0 HA CYS A 9 6.558 -4.461 2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.952 -3.378 1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.972 -4.133 3.015 1.00 0.00 H new ATOM 132 N PRO A 10 5.258 -6.370 3.617 1.00 0.00 N ATOM 133 CA PRO A 10 4.984 -7.656 4.254 1.00 0.00 C ATOM 134 C PRO A 10 3.698 -8.381 3.817 1.00 0.00 C ATOM 135 O PRO A 10 2.930 -7.926 2.961 1.00 0.00 O ATOM 136 CB PRO A 10 4.982 -7.356 5.757 1.00 0.00 C ATOM 137 CG PRO A 10 5.982 -6.208 5.871 1.00 0.00 C ATOM 138 CD PRO A 10 5.694 -5.398 4.609 1.00 0.00 C ATOM 0 HA PRO A 10 5.749 -8.369 3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.992 -7.068 6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.291 -8.222 6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.825 -5.621 6.776 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.011 -6.566 5.898 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.923 -4.649 4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.583 -4.865 4.273 1.00 0.00 H new ATOM 146 N SER A 11 3.484 -9.548 4.432 1.00 0.00 N ATOM 147 CA SER A 11 2.362 -10.469 4.234 1.00 0.00 C ATOM 148 C SER A 11 1.024 -9.768 3.994 1.00 0.00 C ATOM 149 O SER A 11 0.433 -9.237 4.934 1.00 0.00 O ATOM 150 CB SER A 11 2.236 -11.351 5.479 1.00 0.00 C ATOM 151 OG SER A 11 2.044 -10.519 6.604 1.00 0.00 O ATOM 0 H SER A 11 4.138 -9.899 5.132 1.00 0.00 H new ATOM 0 HA SER A 11 2.579 -11.048 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.398 -12.040 5.371 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.133 -11.957 5.606 1.00 0.00 H new ATOM 0 HG SER A 11 1.381 -9.829 6.391 1.00 0.00 H new ATOM 157 N GLY A 12 0.533 -9.782 2.753 1.00 0.00 N ATOM 158 CA GLY A 12 -0.803 -9.285 2.434 1.00 0.00 C ATOM 159 C GLY A 12 -0.915 -7.761 2.371 1.00 0.00 C ATOM 160 O GLY A 12 -2.027 -7.245 2.247 1.00 0.00 O ATOM 0 H GLY A 12 1.048 -10.136 1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.111 -9.699 1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.503 -9.657 3.182 1.00 0.00 H new ATOM 164 N MET A 13 0.197 -7.024 2.461 1.00 0.00 N ATOM 165 CA MET A 13 0.163 -5.565 2.352 1.00 0.00 C ATOM 166 C MET A 13 0.069 -5.106 0.888 1.00 0.00 C ATOM 167 O MET A 13 0.387 -5.867 -0.033 1.00 0.00 O ATOM 168 CB MET A 13 1.434 -4.980 2.977 1.00 0.00 C ATOM 169 CG MET A 13 1.690 -5.441 4.417 1.00 0.00 C ATOM 170 SD MET A 13 0.591 -4.728 5.658 1.00 0.00 S ATOM 171 CE MET A 13 1.171 -5.644 7.108 1.00 0.00 C ATOM 0 H MET A 13 1.128 -7.414 2.609 1.00 0.00 H new ATOM 0 HA MET A 13 -0.723 -5.211 2.878 1.00 0.00 H new ATOM 0 HB2 MET A 13 2.290 -5.256 2.361 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.367 -3.892 2.961 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.600 -6.527 4.456 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.719 -5.197 4.682 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.602 -5.335 7.985 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.032 -6.712 6.943 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.229 -5.437 7.270 1.00 0.00 H new ATOM 181 N CYS A 14 -0.256 -3.833 0.676 1.00 0.00 N ATOM 182 CA CYS A 14 -0.140 -3.144 -0.607 1.00 0.00 C ATOM 183 C CYS A 14 0.339 -1.705 -0.366 1.00 0.00 C ATOM 184 O CYS A 14 0.415 -1.268 0.782 1.00 0.00 O ATOM 185 CB CYS A 14 -1.501 -3.105 -1.314 1.00 0.00 C ATOM 186 SG CYS A 14 -2.332 -4.660 -1.757 1.00 0.00 S ATOM 0 H CYS A 14 -0.619 -3.233 1.417 1.00 0.00 H new ATOM 0 HA CYS A 14 0.574 -3.679 -1.233 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.183 -2.542 -0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.375 -2.531 -2.232 1.00 0.00 H new ATOM 191 N CYS A 15 0.604 -0.954 -1.440 1.00 0.00 N ATOM 192 CA CYS A 15 0.769 0.496 -1.386 1.00 0.00 C ATOM 193 C CYS A 15 -0.587 1.204 -1.259 1.00 0.00 C ATOM 194 O CYS A 15 -1.610 0.697 -1.721 1.00 0.00 O ATOM 195 CB CYS A 15 1.381 0.975 -2.706 1.00 0.00 C ATOM 196 SG CYS A 15 2.911 0.192 -3.268 1.00 0.00 S ATOM 0 H CYS A 15 0.710 -1.342 -2.377 1.00 0.00 H new ATOM 0 HA CYS A 15 1.398 0.727 -0.526 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.633 0.844 -3.488 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.567 2.046 -2.619 1.00 0.00 H new ATOM 201 N SER A 16 -0.590 2.442 -0.772 1.00 0.00 N ATOM 202 CA SER A 16 -1.663 3.381 -1.053 1.00 0.00 C ATOM 203 C SER A 16 -1.319 4.216 -2.280 1.00 0.00 C ATOM 204 O SER A 16 -0.154 4.356 -2.656 1.00 0.00 O ATOM 205 CB SER A 16 -1.945 4.287 0.142 1.00 0.00 C ATOM 206 OG SER A 16 -0.979 5.307 0.242 1.00 0.00 O ATOM 0 H SER A 16 0.148 2.817 -0.176 1.00 0.00 H new ATOM 0 HA SER A 16 -2.567 2.806 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.936 4.729 0.042 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.951 3.696 1.058 1.00 0.00 H new ATOM 0 HG SER A 16 -1.012 5.702 1.138 1.00 0.00 H new ATOM 212 N GLN A 17 -2.323 4.897 -2.826 1.00 0.00 N ATOM 213 CA GLN A 17 -2.127 6.008 -3.750 1.00 0.00 C ATOM 214 C GLN A 17 -1.324 7.182 -3.149 1.00 0.00 C ATOM 215 O GLN A 17 -1.047 8.148 -3.850 1.00 0.00 O ATOM 216 CB GLN A 17 -3.481 6.436 -4.324 1.00 0.00 C ATOM 217 CG GLN A 17 -4.462 6.795 -3.210 1.00 0.00 C ATOM 218 CD GLN A 17 -5.424 5.661 -2.850 1.00 0.00 C ATOM 219 OE1 GLN A 17 -5.065 4.487 -2.814 1.00 0.00 O ATOM 220 NE2 GLN A 17 -6.677 5.969 -2.577 1.00 0.00 N ATOM 0 H GLN A 17 -3.304 4.691 -2.637 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.498 5.657 -4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.345 7.293 -4.983 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.894 5.630 -4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.900 7.079 -2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.040 7.668 -3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.981 6.942 -2.605 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.342 5.234 -2.337 1.00 0.00 H new HETATM 229 N PFF A 18 -0.914 7.099 -1.877 1.00 0.00 N HETATM 230 CA PFF A 18 0.005 8.030 -1.228 1.00 0.00 C HETATM 231 C PFF A 18 1.344 7.345 -0.893 1.00 0.00 C HETATM 232 O PFF A 18 2.079 7.799 -0.018 1.00 0.00 O HETATM 233 CB PFF A 18 -0.671 8.616 0.022 1.00 0.00 C HETATM 234 CG PFF A 18 -2.152 8.897 -0.157 1.00 0.00 C HETATM 235 CD1 PFF A 18 -3.097 8.060 0.462 1.00 0.00 C HETATM 236 CD2 PFF A 18 -2.585 9.876 -1.070 1.00 0.00 C HETATM 237 CE1 PFF A 18 -4.464 8.206 0.181 1.00 0.00 C HETATM 238 CE2 PFF A 18 -3.956 10.026 -1.348 1.00 0.00 C HETATM 239 CZ PFF A 18 -4.898 9.195 -0.718 1.00 0.00 C HETATM 240 F PFF A 18 -6.210 9.254 -1.063 1.00 0.00 F HETATM 0 HE2 PFF A 18 -4.288 10.788 -2.053 1.00 0.00 H new HETATM 0 HE1 PFF A 18 -5.191 7.551 0.661 1.00 0.00 H new HETATM 0 HD2 PFF A 18 -1.857 10.520 -1.563 1.00 0.00 H new HETATM 0 HD1 PFF A 18 -2.766 7.294 1.163 1.00 0.00 H new HETATM 0 HB3 PFF A 18 -0.540 7.923 0.853 1.00 0.00 H new HETATM 0 HB2 PFF A 18 -0.166 9.542 0.297 1.00 0.00 H new HETATM 0 HA PFF A 18 0.238 8.847 -1.911 1.00 0.00 H new ATOM 249 N GLY A 19 1.660 6.204 -1.518 1.00 0.00 N ATOM 250 CA GLY A 19 2.973 5.556 -1.434 1.00 0.00 C ATOM 251 C GLY A 19 3.228 4.777 -0.143 1.00 0.00 C ATOM 252 O GLY A 19 3.915 3.757 -0.166 1.00 0.00 O ATOM 0 H GLY A 19 0.998 5.697 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.080 4.875 -2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.745 6.318 -1.539 1.00 0.00 H new HETATM 256 N PFF A 20 2.660 5.214 0.979 1.00 0.00 N HETATM 257 CA PFF A 20 2.628 4.436 2.217 1.00 0.00 C HETATM 258 C PFF A 20 2.067 3.025 1.999 1.00 0.00 C HETATM 259 O PFF A 20 1.210 2.833 1.140 1.00 0.00 O HETATM 260 CB PFF A 20 1.804 5.198 3.250 1.00 0.00 C HETATM 261 CG PFF A 20 2.568 6.349 3.860 1.00 0.00 C HETATM 262 CD1 PFF A 20 2.432 7.653 3.349 1.00 0.00 C HETATM 263 CD2 PFF A 20 3.505 6.089 4.878 1.00 0.00 C HETATM 264 CE1 PFF A 20 3.189 8.704 3.897 1.00 0.00 C HETATM 265 CE2 PFF A 20 4.263 7.140 5.423 1.00 0.00 C HETATM 266 CZ PFF A 20 4.100 8.448 4.937 1.00 0.00 C HETATM 267 F PFF A 20 4.821 9.467 5.476 1.00 0.00 F HETATM 0 HE2 PFF A 20 4.977 6.940 6.222 1.00 0.00 H new HETATM 0 HE1 PFF A 20 3.069 9.718 3.515 1.00 0.00 H new HETATM 0 HD2 PFF A 20 3.643 5.072 5.244 1.00 0.00 H new HETATM 0 HD1 PFF A 20 1.741 7.848 2.529 1.00 0.00 H new HETATM 0 HB3 PFF A 20 0.897 5.576 2.780 1.00 0.00 H new HETATM 0 HB2 PFF A 20 1.492 4.513 4.039 1.00 0.00 H new HETATM 0 HA PFF A 20 3.649 4.307 2.577 1.00 0.00 H new ATOM 276 N CYS A 21 2.504 2.031 2.775 1.00 0.00 N ATOM 277 CA CYS A 21 2.024 0.661 2.610 1.00 0.00 C ATOM 278 C CYS A 21 1.169 0.195 3.790 1.00 0.00 C ATOM 279 O CYS A 21 1.262 0.733 4.892 1.00 0.00 O ATOM 280 CB CYS A 21 3.213 -0.271 2.340 1.00 0.00 C ATOM 281 SG CYS A 21 3.930 -1.141 3.758 1.00 0.00 S ATOM 0 H CYS A 21 3.188 2.151 3.522 1.00 0.00 H new ATOM 0 HA CYS A 21 1.360 0.630 1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.897 -1.018 1.612 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.002 0.317 1.872 1.00 0.00 H new ATOM 286 N GLY A 22 0.338 -0.826 3.572 1.00 0.00 N ATOM 287 CA GLY A 22 -0.474 -1.390 4.643 1.00 0.00 C ATOM 288 C GLY A 22 -1.422 -2.477 4.145 1.00 0.00 C ATOM 289 O GLY A 22 -1.468 -2.778 2.951 1.00 0.00 O ATOM 0 H GLY A 22 0.212 -1.276 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.179 -1.805 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.053 -0.595 5.113 1.00 0.00 H new ATOM 293 N LYS A 23 -2.182 -3.077 5.071 1.00 0.00 N ATOM 294 CA LYS A 23 -3.105 -4.183 4.772 1.00 0.00 C ATOM 295 C LYS A 23 -4.531 -3.727 4.478 1.00 0.00 C ATOM 296 O LYS A 23 -5.293 -4.445 3.832 1.00 0.00 O ATOM 297 CB LYS A 23 -3.060 -5.200 5.934 1.00 0.00 C ATOM 298 CG LYS A 23 -3.230 -6.669 5.516 1.00 0.00 C ATOM 299 CD LYS A 23 -4.687 -7.119 5.322 1.00 0.00 C ATOM 300 CE LYS A 23 -4.938 -7.812 3.976 1.00 0.00 C ATOM 301 NZ LYS A 23 -4.683 -6.914 2.827 1.00 0.00 N ATOM 0 H LYS A 23 -2.174 -2.808 6.055 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.769 -4.657 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.108 -5.093 6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.844 -4.948 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.687 -6.833 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.766 -7.303 6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.960 -7.799 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.341 -6.251 5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.298 -8.691 3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.969 -8.164 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.099 -7.324 1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.113 -5.985 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.658 -6.801 2.695 1.00 0.00 H new ATOM 315 N GLY A 24 -4.861 -2.530 4.938 1.00 0.00 N ATOM 316 CA GLY A 24 -6.224 -2.005 5.012 1.00 0.00 C ATOM 317 C GLY A 24 -6.729 -1.387 3.704 1.00 0.00 C ATOM 318 O GLY A 24 -5.958 -1.201 2.760 1.00 0.00 O ATOM 0 H GLY A 24 -4.164 -1.870 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.897 -2.811 5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.269 -1.252 5.798 1.00 0.00 H new ATOM 322 N PRO A 25 -8.026 -1.032 3.655 1.00 0.00 N ATOM 323 CA PRO A 25 -8.750 -0.621 2.457 1.00 0.00 C ATOM 324 C PRO A 25 -7.958 0.264 1.494 1.00 0.00 C ATOM 325 O PRO A 25 -7.605 -0.193 0.406 1.00 0.00 O ATOM 326 CB PRO A 25 -10.039 0.027 2.968 1.00 0.00 C ATOM 327 CG PRO A 25 -10.333 -0.812 4.211 1.00 0.00 C ATOM 328 CD PRO A 25 -8.941 -1.084 4.785 1.00 0.00 C ATOM 0 HA PRO A 25 -8.957 -1.486 1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.900 1.081 3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.844 -0.030 2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.963 -0.275 4.920 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.853 -1.736 3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.676 -0.340 5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.903 -2.058 5.273 1.00 0.00 H new ATOM 336 N LYS A 26 -7.618 1.497 1.894 1.00 0.00 N ATOM 337 CA LYS A 26 -6.938 2.471 1.034 1.00 0.00 C ATOM 338 C LYS A 26 -5.529 2.054 0.602 1.00 0.00 C ATOM 339 O LYS A 26 -4.963 2.686 -0.291 1.00 0.00 O ATOM 340 CB LYS A 26 -6.905 3.837 1.728 1.00 0.00 C ATOM 341 CG LYS A 26 -8.324 4.386 1.951 1.00 0.00 C ATOM 342 CD LYS A 26 -8.331 5.809 2.522 1.00 0.00 C ATOM 343 CE LYS A 26 -7.791 6.826 1.511 1.00 0.00 C ATOM 344 NZ LYS A 26 -7.845 8.199 2.058 1.00 0.00 N ATOM 0 H LYS A 26 -7.810 1.848 2.832 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.519 2.526 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.393 3.748 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.332 4.540 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.864 4.377 1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.861 3.725 2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.347 6.082 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.727 5.841 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.763 6.575 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.374 6.774 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.214 8.817 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.819 8.558 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.540 8.189 3.052 1.00 0.00 H new ATOM 358 N TYR A 27 -4.979 0.980 1.174 1.00 0.00 N ATOM 359 CA TYR A 27 -3.781 0.350 0.642 1.00 0.00 C ATOM 360 C TYR A 27 -4.190 -0.800 -0.287 1.00 0.00 C ATOM 361 O TYR A 27 -3.880 -0.807 -1.479 1.00 0.00 O ATOM 362 CB TYR A 27 -2.884 -0.151 1.784 1.00 0.00 C ATOM 363 CG TYR A 27 -2.626 0.835 2.908 1.00 0.00 C ATOM 364 CD1 TYR A 27 -1.560 1.746 2.821 1.00 0.00 C ATOM 365 CD2 TYR A 27 -3.384 0.764 4.091 1.00 0.00 C ATOM 366 CE1 TYR A 27 -1.208 2.533 3.935 1.00 0.00 C ATOM 367 CE2 TYR A 27 -3.041 1.562 5.198 1.00 0.00 C ATOM 368 CZ TYR A 27 -1.941 2.430 5.128 1.00 0.00 C ATOM 369 OH TYR A 27 -1.682 3.251 6.183 1.00 0.00 O ATOM 0 H TYR A 27 -5.351 0.531 2.011 1.00 0.00 H new ATOM 0 HA TYR A 27 -3.206 1.079 0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.337 -1.046 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.924 -0.449 1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.009 1.843 1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.231 0.096 4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.374 3.216 3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.626 1.506 6.104 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.289 3.035 6.922 1.00 0.00 H new ATOM 379 N CYS A 28 -4.890 -1.787 0.273 1.00 0.00 N ATOM 380 CA CYS A 28 -4.931 -3.133 -0.268 1.00 0.00 C ATOM 381 C CYS A 28 -6.353 -3.700 -0.410 1.00 0.00 C ATOM 382 O CYS A 28 -6.515 -4.807 -0.909 1.00 0.00 O ATOM 383 CB CYS A 28 -4.051 -3.958 0.669 1.00 0.00 C ATOM 384 SG CYS A 28 -3.176 -5.376 -0.036 1.00 0.00 S ATOM 0 H CYS A 28 -5.446 -1.668 1.120 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.563 -3.154 -1.294 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.310 -3.290 1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.676 -4.321 1.485 1.00 0.00 H new ATOM 389 N GLY A 29 -7.387 -2.932 -0.042 1.00 0.00 N ATOM 390 CA GLY A 29 -8.720 -3.103 -0.637 1.00 0.00 C ATOM 391 C GLY A 29 -8.844 -2.279 -1.926 1.00 0.00 C ATOM 392 O GLY A 29 -9.678 -2.555 -2.783 1.00 0.00 O ATOM 0 H GLY A 29 -7.328 -2.193 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.895 -4.157 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.485 -2.793 0.075 1.00 0.00 H new ATOM 396 N ARG A 30 -7.971 -1.276 -2.069 1.00 0.00 N ATOM 397 CA ARG A 30 -7.564 -0.575 -3.286 1.00 0.00 C ATOM 398 C ARG A 30 -8.596 0.383 -3.868 1.00 0.00 C ATOM 399 O ARG A 30 -8.200 1.446 -4.342 1.00 0.00 O ATOM 400 CB ARG A 30 -7.049 -1.576 -4.336 1.00 0.00 C ATOM 401 CG ARG A 30 -6.357 -0.910 -5.539 1.00 0.00 C ATOM 402 CD ARG A 30 -4.876 -0.574 -5.324 1.00 0.00 C ATOM 403 NE ARG A 30 -4.563 0.026 -4.017 1.00 0.00 N ATOM 404 CZ ARG A 30 -4.712 1.282 -3.629 1.00 0.00 C ATOM 405 NH1 ARG A 30 -5.562 2.133 -4.148 1.00 0.00 N ATOM 406 NH2 ARG A 30 -4.044 1.680 -2.587 1.00 0.00 N ATOM 0 H ARG A 30 -7.486 -0.900 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.749 0.082 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.348 -2.261 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.886 -2.175 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.444 -1.571 -6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.891 0.008 -5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.291 -1.486 -5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.556 0.111 -6.109 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.181 -0.611 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.173 1.842 -4.911 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.613 3.086 -3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.429 1.030 -2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.135 2.642 -2.260 1.00 0.00 H new HETATM 420 N NH2 A 31 -9.877 0.046 -3.824 1.00 0.00 N TER 423 NH2 A 31 HETATM 424 C1 NAG A 32 -7.876 12.889 -0.735 1.00 0.00 C HETATM 425 C2 NAG A 32 -8.141 11.842 0.341 1.00 0.00 C HETATM 426 C3 NAG A 32 -7.074 11.901 1.450 1.00 0.00 C HETATM 427 C4 NAG A 32 -5.785 12.616 1.020 1.00 0.00 C HETATM 428 C5 NAG A 32 -6.187 14.033 0.574 1.00 0.00 C HETATM 429 C6 NAG A 32 -5.082 14.697 -0.267 1.00 0.00 C HETATM 430 C7 NAG A 32 -10.218 10.999 1.428 1.00 0.00 C HETATM 431 C8 NAG A 32 -11.581 11.379 1.919 1.00 0.00 C HETATM 432 N2 NAG A 32 -9.499 11.986 0.907 1.00 0.00 N HETATM 433 O1 NAG A 32 -6.907 12.466 -1.618 1.00 0.00 O HETATM 434 O3 NAG A 32 -6.796 10.565 1.809 1.00 0.00 O HETATM 435 O4 NAG A 32 -4.787 12.739 2.073 1.00 0.00 O HETATM 436 O5 NAG A 32 -7.419 14.091 -0.137 1.00 0.00 O HETATM 437 O6 NAG A 32 -4.681 13.881 -1.357 1.00 0.00 O HETATM 438 O7 NAG A 32 -9.822 9.843 1.527 1.00 0.00 O HETATM 0 HO6 NAG A 32 -3.920 13.325 -1.087 1.00 0.00 H new HETATM 0 HO3 NAG A 32 -6.289 10.550 2.647 1.00 0.00 H new HETATM 0 HO1 NAG A 32 -6.317 13.216 -1.840 1.00 0.00 H new HETATM 0 HN2 NAG A 32 -9.916 12.917 0.896 1.00 0.00 H new HETATM 0 H83 NAG A 32 -11.489 12.135 2.699 1.00 0.00 H new HETATM 0 H82 NAG A 32 -12.167 11.780 1.092 1.00 0.00 H new HETATM 0 H81 NAG A 32 -12.080 10.499 2.324 1.00 0.00 H new HETATM 0 H62 NAG A 32 -5.440 15.655 -0.644 1.00 0.00 H new HETATM 0 H61 NAG A 32 -4.220 14.905 0.367 1.00 0.00 H new HETATM 0 H5 NAG A 32 -6.327 14.585 1.504 1.00 0.00 H new HETATM 0 H4 NAG A 32 -5.326 12.020 0.231 1.00 0.00 H new HETATM 0 H3 NAG A 32 -7.460 12.484 2.287 1.00 0.00 H new HETATM 0 H2 NAG A 32 -8.079 10.862 -0.132 1.00 0.00 H new HETATM 0 H1 NAG A 32 -8.812 13.050 -1.270 1.00 0.00 H new HETATM 453 C1 NAG A 33 -3.992 11.629 2.361 1.00 0.00 C HETATM 454 C2 NAG A 33 -2.652 12.052 2.955 1.00 0.00 C HETATM 455 C3 NAG A 33 -1.894 10.777 3.331 1.00 0.00 C HETATM 456 C4 NAG A 33 -2.705 9.848 4.238 1.00 0.00 C HETATM 457 C5 NAG A 33 -4.115 9.642 3.678 1.00 0.00 C HETATM 458 C6 NAG A 33 -4.979 8.931 4.740 1.00 0.00 C HETATM 459 C7 NAG A 33 -1.867 13.122 0.785 1.00 0.00 C HETATM 460 C8 NAG A 33 -0.767 13.971 0.228 1.00 0.00 C HETATM 461 N2 NAG A 33 -1.805 12.913 2.096 1.00 0.00 N HETATM 462 O3 NAG A 33 -0.718 11.134 4.023 1.00 0.00 O HETATM 463 O4 NAG A 33 -2.025 8.578 4.275 1.00 0.00 O HETATM 464 O5 NAG A 33 -4.695 10.895 3.361 1.00 0.00 O HETATM 465 O6 NAG A 33 -6.288 8.586 4.299 1.00 0.00 O HETATM 466 O7 NAG A 33 -2.733 12.687 0.038 1.00 0.00 O HETATM 0 HO6 NAG A 33 -6.430 7.624 4.417 1.00 0.00 H new HETATM 0 HO3 NAG A 33 -0.494 10.433 4.670 1.00 0.00 H new HETATM 0 HN2 NAG A 33 -1.066 13.420 2.583 1.00 0.00 H new HETATM 0 H83 NAG A 33 -0.789 14.952 0.702 1.00 0.00 H new HETATM 0 H82 NAG A 33 0.194 13.495 0.423 1.00 0.00 H new HETATM 0 H81 NAG A 33 -0.904 14.084 -0.847 1.00 0.00 H new HETATM 0 H62 NAG A 33 -4.466 8.024 5.060 1.00 0.00 H new HETATM 0 H61 NAG A 33 -5.062 9.576 5.615 1.00 0.00 H new HETATM 0 H5 NAG A 33 -4.062 9.035 2.774 1.00 0.00 H new HETATM 0 H4 NAG A 33 -2.791 10.284 5.233 1.00 0.00 H new HETATM 0 H3 NAG A 33 -1.682 10.246 2.403 1.00 0.00 H new HETATM 0 H2 NAG A 33 -2.876 12.682 3.816 1.00 0.00 H new HETATM 480 C1 NAG A 34 -1.474 8.172 5.479 1.00 0.00 C HETATM 481 C2 NAG A 34 -0.984 6.741 5.296 1.00 0.00 C HETATM 482 C3 NAG A 34 -0.308 6.360 6.608 1.00 0.00 C HETATM 483 C4 NAG A 34 0.826 7.329 6.919 1.00 0.00 C HETATM 484 C5 NAG A 34 0.256 8.751 6.996 1.00 0.00 C HETATM 485 C6 NAG A 34 1.393 9.757 7.260 1.00 0.00 C HETATM 486 C7 NAG A 34 -2.445 5.496 3.739 1.00 0.00 C HETATM 487 C8 NAG A 34 -3.736 4.748 3.579 1.00 0.00 C HETATM 488 N2 NAG A 34 -2.110 5.842 4.974 1.00 0.00 N HETATM 489 O3 NAG A 34 0.300 5.096 6.530 1.00 0.00 O HETATM 490 O4 NAG A 34 1.460 6.874 8.107 1.00 0.00 O HETATM 491 O5 NAG A 34 -0.391 9.056 5.765 1.00 0.00 O HETATM 492 O6 NAG A 34 2.195 9.377 8.370 1.00 0.00 O HETATM 493 O7 NAG A 34 -1.773 5.771 2.754 1.00 0.00 O HETATM 0 HO6 NAG A 34 2.905 10.040 8.503 1.00 0.00 H new HETATM 0 HO4 NAG A 34 1.894 7.629 8.556 1.00 0.00 H new HETATM 0 HO3 NAG A 34 -0.391 4.401 6.519 1.00 0.00 H new HETATM 0 HN2 NAG A 34 -2.661 5.466 5.745 1.00 0.00 H new HETATM 0 H83 NAG A 34 -3.690 3.818 4.146 1.00 0.00 H new HETATM 0 H82 NAG A 34 -4.559 5.359 3.950 1.00 0.00 H new HETATM 0 H81 NAG A 34 -3.898 4.523 2.525 1.00 0.00 H new HETATM 0 H62 NAG A 34 2.019 9.837 6.371 1.00 0.00 H new HETATM 0 H61 NAG A 34 0.968 10.744 7.441 1.00 0.00 H new HETATM 0 H5 NAG A 34 -0.463 8.817 7.812 1.00 0.00 H new HETATM 0 H4 NAG A 34 1.589 7.362 6.142 1.00 0.00 H new HETATM 0 H3 NAG A 34 -1.090 6.375 7.367 1.00 0.00 H new HETATM 0 H2 NAG A 34 -0.285 6.653 4.464 1.00 0.00 H new