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 8:sc= 1.26 USER MOD Set 1.2: A 34 NAG O3 : rot 157:sc= 1.28 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -177:sc= 3.48 (180deg=2.2) USER MOD Set 2.2: A 32 NAG O3 : rot -50:sc= 1.99 USER MOD Set 2.3: A 33 NAG O6 : rot -22:sc= 2.31 USER MOD Single : A 1 VAL N :NH3+ 165:sc= 1.28 (180deg=0.571!) USER MOD Single : A 11 SER OG : rot 84:sc= 1.7 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -156:sc= 1.21 USER MOD Single : A 17 GLN : amide:sc= 1.58 K(o=1.6,f=-12!) USER MOD Single : A 23 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0.671) USER MOD Single : A 32 NAG O1 : rot 180:sc= 0 USER MOD Single : A 32 NAG O6 : rot 114:sc= 1.26 USER MOD Single : A 33 NAG O3 : rot 150:sc= 1.3 USER MOD Single : A 34 NAG O4 : rot -142:sc= 1.2 USER MOD Single : A 34 NAG O6 : rot 180:sc= 0.968 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.095 -0.632 4.871 1.00 0.00 N ATOM 2 CA VAL A 1 5.030 -0.507 5.890 1.00 0.00 C ATOM 3 C VAL A 1 4.864 0.954 6.263 1.00 0.00 C ATOM 4 O VAL A 1 5.858 1.628 6.500 1.00 0.00 O ATOM 5 CB VAL A 1 5.295 -1.371 7.128 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.079 -2.841 6.763 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.703 -1.208 7.708 1.00 0.00 C ATOM 0 H1 VAL A 1 6.389 -1.627 4.797 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.735 -0.308 3.951 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.911 -0.049 5.148 1.00 0.00 H new ATOM 0 HA VAL A 1 4.102 -0.880 5.458 1.00 0.00 H new ATOM 0 HB VAL A 1 4.598 -1.036 7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.265 -3.464 7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.052 -2.985 6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.765 -3.122 5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.814 -1.851 8.581 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.441 -1.487 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.858 -0.169 8.000 1.00 0.00 H new ATOM 19 N GLY A 2 3.643 1.492 6.221 1.00 0.00 N ATOM 20 CA GLY A 2 3.444 2.939 6.253 1.00 0.00 C ATOM 21 C GLY A 2 3.823 3.515 4.893 1.00 0.00 C ATOM 22 O GLY A 2 2.957 3.933 4.135 1.00 0.00 O ATOM 0 H GLY A 2 2.782 0.948 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.405 3.172 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.055 3.387 7.037 1.00 0.00 H new ATOM 26 N GLU A 3 5.101 3.409 4.533 1.00 0.00 N ATOM 27 CA GLU A 3 5.572 3.496 3.151 1.00 0.00 C ATOM 28 C GLU A 3 5.371 2.162 2.417 1.00 0.00 C ATOM 29 O GLU A 3 5.190 1.127 3.056 1.00 0.00 O ATOM 30 CB GLU A 3 7.046 3.947 3.144 1.00 0.00 C ATOM 31 CG GLU A 3 8.033 3.229 4.089 1.00 0.00 C ATOM 32 CD GLU A 3 8.503 1.854 3.600 1.00 0.00 C ATOM 33 OE1 GLU A 3 9.401 1.834 2.721 1.00 0.00 O ATOM 34 OE2 GLU A 3 7.986 0.832 4.103 1.00 0.00 O ATOM 0 H GLU A 3 5.852 3.257 5.206 1.00 0.00 H new ATOM 0 HA GLU A 3 4.984 4.238 2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.422 3.840 2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 3 7.070 5.010 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.906 3.866 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.560 3.111 5.064 1.00 0.00 H new ATOM 41 N CYS A 4 5.419 2.153 1.080 1.00 0.00 N ATOM 42 CA CYS A 4 5.550 0.909 0.321 1.00 0.00 C ATOM 43 C CYS A 4 7.009 0.662 -0.047 1.00 0.00 C ATOM 44 O CYS A 4 7.761 1.579 -0.390 1.00 0.00 O ATOM 45 CB CYS A 4 4.723 0.926 -0.966 1.00 0.00 C ATOM 46 SG CYS A 4 2.981 1.345 -0.774 1.00 0.00 S ATOM 0 H CYS A 4 5.369 2.993 0.504 1.00 0.00 H new ATOM 0 HA CYS A 4 5.177 0.112 0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.175 1.639 -1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.791 -0.057 -1.432 1.00 0.00 H new ATOM 51 N VAL A 5 7.378 -0.613 -0.102 1.00 0.00 N ATOM 52 CA VAL A 5 8.719 -1.099 -0.386 1.00 0.00 C ATOM 53 C VAL A 5 8.932 -1.001 -1.886 1.00 0.00 C ATOM 54 O VAL A 5 8.795 -1.979 -2.616 1.00 0.00 O ATOM 55 CB VAL A 5 8.908 -2.528 0.149 1.00 0.00 C ATOM 56 CG1 VAL A 5 10.349 -3.003 -0.051 1.00 0.00 C ATOM 57 CG2 VAL A 5 8.611 -2.572 1.652 1.00 0.00 C ATOM 0 H VAL A 5 6.715 -1.372 0.059 1.00 0.00 H new ATOM 0 HA VAL A 5 9.470 -0.494 0.121 1.00 0.00 H new ATOM 0 HB VAL A 5 8.224 -3.174 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.455 -4.016 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 5 10.591 -2.993 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.029 -2.338 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.748 -3.589 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.291 -1.901 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.582 -2.257 1.829 1.00 0.00 H new ATOM 67 N ARG A 6 9.156 0.234 -2.344 1.00 0.00 N ATOM 68 CA ARG A 6 9.454 0.601 -3.731 1.00 0.00 C ATOM 69 C ARG A 6 8.415 0.015 -4.691 1.00 0.00 C ATOM 70 O ARG A 6 8.717 -0.424 -5.793 1.00 0.00 O ATOM 71 CB ARG A 6 10.906 0.216 -4.067 1.00 0.00 C ATOM 72 CG ARG A 6 11.973 1.095 -3.387 1.00 0.00 C ATOM 73 CD ARG A 6 12.029 1.042 -1.849 1.00 0.00 C ATOM 74 NE ARG A 6 11.150 2.045 -1.219 1.00 0.00 N ATOM 75 CZ ARG A 6 10.768 2.084 0.050 1.00 0.00 C ATOM 76 NH1 ARG A 6 11.222 1.271 0.969 1.00 0.00 N ATOM 77 NH2 ARG A 6 9.839 2.916 0.428 1.00 0.00 N ATOM 0 H ARG A 6 9.133 1.045 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 6 9.379 1.681 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.070 -0.822 -3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 6 11.043 0.271 -5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.950 0.806 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.804 2.129 -3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.740 0.047 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 6 13.055 1.204 -1.520 1.00 0.00 H new ATOM 0 HE ARG A 6 10.799 2.787 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.909 0.558 0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.889 1.351 1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.404 3.539 -0.253 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.547 2.944 1.405 1.00 0.00 H new ATOM 91 N GLY A 7 7.171 0.027 -4.214 1.00 0.00 N ATOM 92 CA GLY A 7 5.987 -0.468 -4.915 1.00 0.00 C ATOM 93 C GLY A 7 5.381 -1.744 -4.318 1.00 0.00 C ATOM 94 O GLY A 7 4.246 -2.074 -4.652 1.00 0.00 O ATOM 0 H GLY A 7 6.951 0.398 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.227 0.314 -4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.250 -0.658 -5.956 1.00 0.00 H new ATOM 98 N ARG A 8 6.079 -2.452 -3.417 1.00 0.00 N ATOM 99 CA ARG A 8 5.557 -3.667 -2.781 1.00 0.00 C ATOM 100 C ARG A 8 5.298 -3.413 -1.302 1.00 0.00 C ATOM 101 O ARG A 8 5.390 -2.293 -0.814 1.00 0.00 O ATOM 102 CB ARG A 8 6.544 -4.829 -3.002 1.00 0.00 C ATOM 103 CG ARG A 8 5.819 -6.157 -3.295 1.00 0.00 C ATOM 104 CD ARG A 8 6.631 -7.361 -2.803 1.00 0.00 C ATOM 105 NE ARG A 8 5.946 -8.637 -3.091 1.00 0.00 N ATOM 106 CZ ARG A 8 5.469 -9.510 -2.209 1.00 0.00 C ATOM 107 NH1 ARG A 8 5.373 -9.263 -0.929 1.00 0.00 N ATOM 108 NH2 ARG A 8 5.055 -10.697 -2.578 1.00 0.00 N ATOM 0 H ARG A 8 7.018 -2.198 -3.111 1.00 0.00 H new ATOM 0 HA ARG A 8 4.606 -3.944 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.207 -4.588 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.170 -4.946 -2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.842 -6.154 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.644 -6.248 -4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.611 -7.358 -3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.799 -7.272 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 8 5.825 -8.875 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.673 -8.361 -0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.998 -9.973 -0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.095 -10.968 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.693 -11.350 -1.883 1.00 0.00 H new ATOM 122 N CYS A 9 4.995 -4.471 -0.573 1.00 0.00 N ATOM 123 CA CYS A 9 5.095 -4.544 0.872 1.00 0.00 C ATOM 124 C CYS A 9 5.139 -6.036 1.231 1.00 0.00 C ATOM 125 O CYS A 9 5.154 -6.851 0.300 1.00 0.00 O ATOM 126 CB CYS A 9 3.937 -3.749 1.473 1.00 0.00 C ATOM 127 SG CYS A 9 4.524 -2.418 2.553 1.00 0.00 S ATOM 0 H CYS A 9 4.658 -5.339 -0.990 1.00 0.00 H new ATOM 0 HA CYS A 9 5.995 -4.092 1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.332 -3.326 0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.291 -4.419 2.040 1.00 0.00 H new ATOM 132 N PRO A 10 5.211 -6.452 2.507 1.00 0.00 N ATOM 133 CA PRO A 10 5.262 -7.874 2.816 1.00 0.00 C ATOM 134 C PRO A 10 3.981 -8.579 2.370 1.00 0.00 C ATOM 135 O PRO A 10 2.902 -7.983 2.328 1.00 0.00 O ATOM 136 CB PRO A 10 5.495 -7.977 4.322 1.00 0.00 C ATOM 137 CG PRO A 10 4.992 -6.638 4.859 1.00 0.00 C ATOM 138 CD PRO A 10 5.266 -5.656 3.719 1.00 0.00 C ATOM 0 HA PRO A 10 6.067 -8.374 2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.947 -8.814 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.549 -8.131 4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.931 -6.679 5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.518 -6.350 5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.523 -4.858 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.241 -5.182 3.834 1.00 0.00 H new ATOM 146 N SER A 11 4.117 -9.862 2.021 1.00 0.00 N ATOM 147 CA SER A 11 3.070 -10.647 1.360 1.00 0.00 C ATOM 148 C SER A 11 1.878 -10.903 2.278 1.00 0.00 C ATOM 149 O SER A 11 1.720 -11.980 2.842 1.00 0.00 O ATOM 150 CB SER A 11 3.626 -11.972 0.856 1.00 0.00 C ATOM 151 OG SER A 11 4.696 -11.751 -0.053 1.00 0.00 O ATOM 0 H SER A 11 4.971 -10.393 2.193 1.00 0.00 H new ATOM 0 HA SER A 11 2.720 -10.057 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.974 -12.570 1.698 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.836 -12.541 0.365 1.00 0.00 H new ATOM 0 HG SER A 11 5.528 -11.618 0.447 1.00 0.00 H new ATOM 157 N GLY A 12 1.049 -9.877 2.412 1.00 0.00 N ATOM 158 CA GLY A 12 -0.096 -9.828 3.313 1.00 0.00 C ATOM 159 C GLY A 12 -0.532 -8.398 3.646 1.00 0.00 C ATOM 160 O GLY A 12 -1.710 -8.189 3.941 1.00 0.00 O ATOM 0 H GLY A 12 1.160 -9.018 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.932 -10.361 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.152 -10.351 4.237 1.00 0.00 H new ATOM 164 N MET A 13 0.367 -7.410 3.548 1.00 0.00 N ATOM 165 CA MET A 13 -0.008 -5.996 3.515 1.00 0.00 C ATOM 166 C MET A 13 -0.310 -5.577 2.072 1.00 0.00 C ATOM 167 O MET A 13 -0.068 -6.335 1.134 1.00 0.00 O ATOM 168 CB MET A 13 1.137 -5.143 4.078 1.00 0.00 C ATOM 169 CG MET A 13 1.400 -5.402 5.563 1.00 0.00 C ATOM 170 SD MET A 13 0.132 -4.740 6.670 1.00 0.00 S ATOM 171 CE MET A 13 0.830 -5.260 8.259 1.00 0.00 C ATOM 0 H MET A 13 1.372 -7.571 3.490 1.00 0.00 H new ATOM 0 HA MET A 13 -0.898 -5.844 4.125 1.00 0.00 H new ATOM 0 HB2 MET A 13 2.046 -5.346 3.513 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.902 -4.088 3.935 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.481 -6.477 5.724 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.363 -4.967 5.831 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.175 -4.935 9.068 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.920 -6.346 8.279 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.815 -4.812 8.388 1.00 0.00 H new ATOM 181 N CYS A 14 -0.814 -4.357 1.883 1.00 0.00 N ATOM 182 CA CYS A 14 -1.139 -3.813 0.569 1.00 0.00 C ATOM 183 C CYS A 14 -0.571 -2.391 0.426 1.00 0.00 C ATOM 184 O CYS A 14 -0.162 -1.778 1.414 1.00 0.00 O ATOM 185 CB CYS A 14 -2.663 -3.819 0.386 1.00 0.00 C ATOM 186 SG CYS A 14 -3.564 -5.252 1.059 1.00 0.00 S ATOM 0 H CYS A 14 -1.010 -3.713 2.649 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.687 -4.431 -0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.064 -2.917 0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.878 -3.753 -0.681 1.00 0.00 H new ATOM 191 N CYS A 15 -0.553 -1.856 -0.800 1.00 0.00 N ATOM 192 CA CYS A 15 0.021 -0.549 -1.118 1.00 0.00 C ATOM 193 C CYS A 15 -1.002 0.361 -1.811 1.00 0.00 C ATOM 194 O CYS A 15 -1.708 -0.075 -2.727 1.00 0.00 O ATOM 195 CB CYS A 15 1.236 -0.777 -2.029 1.00 0.00 C ATOM 196 SG CYS A 15 2.112 0.736 -2.505 1.00 0.00 S ATOM 0 H CYS A 15 -0.945 -2.331 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 15 0.319 -0.049 -0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.935 -1.442 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.906 -1.290 -2.932 1.00 0.00 H new ATOM 201 N SER A 16 -1.058 1.637 -1.424 1.00 0.00 N ATOM 202 CA SER A 16 -1.810 2.656 -2.145 1.00 0.00 C ATOM 203 C SER A 16 -0.924 3.316 -3.198 1.00 0.00 C ATOM 204 O SER A 16 0.285 3.470 -3.026 1.00 0.00 O ATOM 205 CB SER A 16 -2.376 3.710 -1.187 1.00 0.00 C ATOM 206 OG SER A 16 -1.370 4.589 -0.720 1.00 0.00 O ATOM 0 H SER A 16 -0.579 1.991 -0.596 1.00 0.00 H new ATOM 0 HA SER A 16 -2.650 2.170 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.152 4.283 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.848 3.214 -0.339 1.00 0.00 H new ATOM 0 HG SER A 16 -1.647 4.978 0.136 1.00 0.00 H new ATOM 212 N GLN A 17 -1.538 3.805 -4.275 1.00 0.00 N ATOM 213 CA GLN A 17 -0.843 4.543 -5.328 1.00 0.00 C ATOM 214 C GLN A 17 -0.231 5.876 -4.862 1.00 0.00 C ATOM 215 O GLN A 17 0.426 6.557 -5.640 1.00 0.00 O ATOM 216 CB GLN A 17 -1.745 4.695 -6.555 1.00 0.00 C ATOM 217 CG GLN A 17 -3.113 5.258 -6.179 1.00 0.00 C ATOM 218 CD GLN A 17 -4.167 4.158 -6.080 1.00 0.00 C ATOM 219 OE1 GLN A 17 -4.075 3.251 -5.256 1.00 0.00 O ATOM 220 NE2 GLN A 17 -5.184 4.189 -6.922 1.00 0.00 N ATOM 0 H GLN A 17 -2.539 3.699 -4.442 1.00 0.00 H new ATOM 0 HA GLN A 17 0.022 3.946 -5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -1.266 5.353 -7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.870 3.726 -7.038 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.042 5.781 -5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.422 5.992 -6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.258 4.943 -7.605 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.896 3.459 -6.889 1.00 0.00 H new HETATM 229 N PFF A 18 -0.382 6.228 -3.582 1.00 0.00 N HETATM 230 CA PFF A 18 0.361 7.313 -2.950 1.00 0.00 C HETATM 231 C PFF A 18 1.739 6.862 -2.436 1.00 0.00 C HETATM 232 O PFF A 18 2.484 7.674 -1.896 1.00 0.00 O HETATM 233 CB PFF A 18 -0.497 7.861 -1.808 1.00 0.00 C HETATM 234 CG PFF A 18 -1.861 8.329 -2.279 1.00 0.00 C HETATM 235 CD1 PFF A 18 -1.962 9.433 -3.144 1.00 0.00 C HETATM 236 CD2 PFF A 18 -3.001 7.544 -2.015 1.00 0.00 C HETATM 237 CE1 PFF A 18 -3.180 9.718 -3.786 1.00 0.00 C HETATM 238 CE2 PFF A 18 -4.220 7.832 -2.652 1.00 0.00 C HETATM 239 CZ PFF A 18 -4.303 8.903 -3.559 1.00 0.00 C HETATM 240 F PFF A 18 -5.467 9.150 -4.215 1.00 0.00 F HETATM 0 HE2 PFF A 18 -5.101 7.225 -2.443 1.00 0.00 H new HETATM 0 HE1 PFF A 18 -3.254 10.571 -4.460 1.00 0.00 H new HETATM 0 HD2 PFF A 18 -2.937 6.711 -1.315 1.00 0.00 H new HETATM 0 HD1 PFF A 18 -1.094 10.069 -3.317 1.00 0.00 H new HETATM 0 HB3 PFF A 18 -0.623 7.088 -1.050 1.00 0.00 H new HETATM 0 HB2 PFF A 18 0.024 8.692 -1.333 1.00 0.00 H new HETATM 0 HA PFF A 18 0.560 8.088 -3.690 1.00 0.00 H new ATOM 249 N GLY A 19 2.088 5.577 -2.581 1.00 0.00 N ATOM 250 CA GLY A 19 3.371 5.052 -2.120 1.00 0.00 C ATOM 251 C GLY A 19 3.345 4.624 -0.654 1.00 0.00 C ATOM 252 O GLY A 19 4.403 4.421 -0.055 1.00 0.00 O ATOM 0 H GLY A 19 1.489 4.878 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.652 4.199 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.140 5.812 -2.258 1.00 0.00 H new HETATM 256 N PFF A 20 2.152 4.486 -0.066 1.00 0.00 N HETATM 257 CA PFF A 20 1.969 4.184 1.343 1.00 0.00 C HETATM 258 C PFF A 20 1.296 2.818 1.539 1.00 0.00 C HETATM 259 O PFF A 20 0.444 2.435 0.741 1.00 0.00 O HETATM 260 CB PFF A 20 1.110 5.309 1.915 1.00 0.00 C HETATM 261 CG PFF A 20 1.684 6.707 1.765 1.00 0.00 C HETATM 262 CD1 PFF A 20 2.992 6.975 2.201 1.00 0.00 C HETATM 263 CD2 PFF A 20 0.886 7.763 1.285 1.00 0.00 C HETATM 264 CE1 PFF A 20 3.477 8.293 2.227 1.00 0.00 C HETATM 265 CE2 PFF A 20 1.374 9.080 1.296 1.00 0.00 C HETATM 266 CZ PFF A 20 2.658 9.347 1.796 1.00 0.00 C HETATM 267 F PFF A 20 3.127 10.623 1.815 1.00 0.00 F HETATM 0 HE2 PFF A 20 0.756 9.894 0.917 1.00 0.00 H new HETATM 0 HE1 PFF A 20 4.488 8.496 2.581 1.00 0.00 H new HETATM 0 HD2 PFF A 20 -0.114 7.558 0.903 1.00 0.00 H new HETATM 0 HD1 PFF A 20 3.635 6.155 2.521 1.00 0.00 H new HETATM 0 HB3 PFF A 20 0.134 5.281 1.430 1.00 0.00 H new HETATM 0 HB2 PFF A 20 0.945 5.114 2.975 1.00 0.00 H new HETATM 0 HA PFF A 20 2.929 4.124 1.856 1.00 0.00 H new ATOM 276 N CYS A 21 1.654 2.054 2.576 1.00 0.00 N ATOM 277 CA CYS A 21 1.231 0.651 2.686 1.00 0.00 C ATOM 278 C CYS A 21 0.735 0.249 4.077 1.00 0.00 C ATOM 279 O CYS A 21 1.199 0.750 5.103 1.00 0.00 O ATOM 280 CB CYS A 21 2.370 -0.271 2.215 1.00 0.00 C ATOM 281 SG CYS A 21 2.840 -1.621 3.343 1.00 0.00 S ATOM 0 H CYS A 21 2.233 2.380 3.349 1.00 0.00 H new ATOM 0 HA CYS A 21 0.364 0.536 2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.081 -0.709 1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.252 0.343 2.031 1.00 0.00 H new ATOM 286 N GLY A 22 -0.154 -0.747 4.079 1.00 0.00 N ATOM 287 CA GLY A 22 -0.787 -1.345 5.247 1.00 0.00 C ATOM 288 C GLY A 22 -1.849 -2.334 4.770 1.00 0.00 C ATOM 289 O GLY A 22 -2.008 -2.525 3.566 1.00 0.00 O ATOM 0 H GLY A 22 -0.467 -1.181 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.044 -1.854 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.240 -0.573 5.869 1.00 0.00 H new ATOM 293 N LYS A 23 -2.590 -2.973 5.679 1.00 0.00 N ATOM 294 CA LYS A 23 -3.674 -3.891 5.286 1.00 0.00 C ATOM 295 C LYS A 23 -5.061 -3.247 5.273 1.00 0.00 C ATOM 296 O LYS A 23 -6.046 -3.874 4.901 1.00 0.00 O ATOM 297 CB LYS A 23 -3.618 -5.162 6.151 1.00 0.00 C ATOM 298 CG LYS A 23 -4.368 -6.329 5.496 1.00 0.00 C ATOM 299 CD LYS A 23 -4.052 -7.649 6.208 1.00 0.00 C ATOM 300 CE LYS A 23 -4.741 -8.835 5.524 1.00 0.00 C ATOM 301 NZ LYS A 23 -4.315 -8.969 4.111 1.00 0.00 N ATOM 0 H LYS A 23 -2.464 -2.876 6.687 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.503 -4.167 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.578 -5.444 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.051 -4.955 7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.441 -6.141 5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.089 -6.402 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.974 -7.809 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.375 -7.589 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.509 -9.753 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.822 -8.704 5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.273 -9.976 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.998 -8.484 3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.375 -8.541 3.990 1.00 0.00 H new ATOM 315 N GLY A 24 -5.138 -1.977 5.654 1.00 0.00 N ATOM 316 CA GLY A 24 -6.409 -1.269 5.779 1.00 0.00 C ATOM 317 C GLY A 24 -7.052 -0.957 4.421 1.00 0.00 C ATOM 318 O GLY A 24 -6.353 -0.862 3.404 1.00 0.00 O ATOM 0 H GLY A 24 -4.323 -1.409 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.098 -1.870 6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.249 -0.338 6.323 1.00 0.00 H new ATOM 322 N PRO A 25 -8.374 -0.717 4.395 1.00 0.00 N ATOM 323 CA PRO A 25 -9.139 -0.472 3.178 1.00 0.00 C ATOM 324 C PRO A 25 -8.466 0.507 2.218 1.00 0.00 C ATOM 325 O PRO A 25 -8.280 0.193 1.045 1.00 0.00 O ATOM 326 CB PRO A 25 -10.505 0.030 3.652 1.00 0.00 C ATOM 327 CG PRO A 25 -10.683 -0.711 4.975 1.00 0.00 C ATOM 328 CD PRO A 25 -9.265 -0.744 5.546 1.00 0.00 C ATOM 0 HA PRO A 25 -9.222 -1.386 2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.516 1.112 3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.296 -0.211 2.941 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.373 -0.191 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.081 -1.715 4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.086 0.110 6.199 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.105 -1.641 6.144 1.00 0.00 H new ATOM 336 N LYS A 26 -8.029 1.672 2.706 1.00 0.00 N ATOM 337 CA LYS A 26 -7.414 2.677 1.845 1.00 0.00 C ATOM 338 C LYS A 26 -6.021 2.296 1.338 1.00 0.00 C ATOM 339 O LYS A 26 -5.574 2.857 0.341 1.00 0.00 O ATOM 340 CB LYS A 26 -7.406 4.029 2.556 1.00 0.00 C ATOM 341 CG LYS A 26 -8.828 4.477 2.925 1.00 0.00 C ATOM 342 CD LYS A 26 -8.928 6.002 3.082 1.00 0.00 C ATOM 343 CE LYS A 26 -9.452 6.693 1.816 1.00 0.00 C ATOM 344 NZ LYS A 26 -8.584 6.473 0.638 1.00 0.00 N ATOM 0 H LYS A 26 -8.091 1.938 3.689 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.027 2.742 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.798 3.964 3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.943 4.777 1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.524 4.145 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.130 3.996 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.588 6.235 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.945 6.403 3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.454 6.325 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.539 7.763 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.959 7.004 -0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.620 6.801 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.561 5.459 0.408 1.00 0.00 H new ATOM 358 N TYR A 27 -5.359 1.318 1.955 1.00 0.00 N ATOM 359 CA TYR A 27 -4.103 0.778 1.438 1.00 0.00 C ATOM 360 C TYR A 27 -4.364 -0.341 0.442 1.00 0.00 C ATOM 361 O TYR A 27 -3.634 -0.503 -0.534 1.00 0.00 O ATOM 362 CB TYR A 27 -3.290 0.199 2.590 1.00 0.00 C ATOM 363 CG TYR A 27 -2.842 1.223 3.607 1.00 0.00 C ATOM 364 CD1 TYR A 27 -1.849 2.156 3.261 1.00 0.00 C ATOM 365 CD2 TYR A 27 -3.437 1.273 4.880 1.00 0.00 C ATOM 366 CE1 TYR A 27 -1.385 3.077 4.218 1.00 0.00 C ATOM 367 CE2 TYR A 27 -3.003 2.225 5.820 1.00 0.00 C ATOM 368 CZ TYR A 27 -1.978 3.124 5.488 1.00 0.00 C ATOM 369 OH TYR A 27 -1.648 4.112 6.359 1.00 0.00 O ATOM 0 H TYR A 27 -5.675 0.881 2.821 1.00 0.00 H new ATOM 0 HA TYR A 27 -3.564 1.587 0.945 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.886 -0.561 3.095 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.411 -0.302 2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.442 2.166 2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.226 0.581 5.136 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.573 3.747 3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.459 2.264 6.798 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.085 4.773 5.905 1.00 0.00 H new ATOM 379 N CYS A 28 -5.395 -1.142 0.713 1.00 0.00 N ATOM 380 CA CYS A 28 -5.653 -2.348 -0.043 1.00 0.00 C ATOM 381 C CYS A 28 -6.721 -2.156 -1.129 1.00 0.00 C ATOM 382 O CYS A 28 -6.430 -2.342 -2.311 1.00 0.00 O ATOM 383 CB CYS A 28 -5.976 -3.446 0.966 1.00 0.00 C ATOM 384 SG CYS A 28 -5.479 -5.072 0.360 1.00 0.00 S ATOM 0 H CYS A 28 -6.066 -0.966 1.461 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.773 -2.637 -0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.468 -3.237 1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.046 -3.446 1.175 1.00 0.00 H new ATOM 389 N GLY A 29 -7.925 -1.701 -0.775 1.00 0.00 N ATOM 390 CA GLY A 29 -9.006 -1.425 -1.725 1.00 0.00 C ATOM 391 C GLY A 29 -9.098 0.044 -2.161 1.00 0.00 C ATOM 392 O GLY A 29 -9.931 0.375 -2.998 1.00 0.00 O ATOM 0 H GLY A 29 -8.181 -1.511 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.866 -2.047 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.954 -1.719 -1.275 1.00 0.00 H new ATOM 396 N ARG A 30 -8.273 0.931 -1.588 1.00 0.00 N ATOM 397 CA ARG A 30 -8.209 2.382 -1.840 1.00 0.00 C ATOM 398 C ARG A 30 -9.416 3.139 -1.281 1.00 0.00 C ATOM 399 O ARG A 30 -9.243 4.128 -0.570 1.00 0.00 O ATOM 400 CB ARG A 30 -8.042 2.729 -3.330 1.00 0.00 C ATOM 401 CG ARG A 30 -6.718 2.273 -3.954 1.00 0.00 C ATOM 402 CD ARG A 30 -6.768 0.895 -4.634 1.00 0.00 C ATOM 403 NE ARG A 30 -5.997 -0.132 -3.917 1.00 0.00 N ATOM 404 CZ ARG A 30 -4.682 -0.180 -3.764 1.00 0.00 C ATOM 405 NH1 ARG A 30 -3.851 0.731 -4.200 1.00 0.00 N ATOM 406 NH2 ARG A 30 -4.151 -1.177 -3.117 1.00 0.00 N ATOM 0 H ARG A 30 -7.588 0.638 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.316 2.708 -1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.864 2.279 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.130 3.809 -3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.404 3.014 -4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.954 2.252 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.806 0.573 -4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.385 0.984 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.533 -0.889 -3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.205 1.549 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.849 0.624 -4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.746 -1.911 -2.734 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.140 -1.224 -2.993 1.00 0.00 H new HETATM 420 N NH2 A 31 -10.626 2.688 -1.579 1.00 0.00 N TER 423 NH2 A 31 HETATM 424 C1 NAG A 32 -8.771 12.213 -3.211 1.00 0.00 C HETATM 425 C2 NAG A 32 -8.396 10.808 -2.757 1.00 0.00 C HETATM 426 C3 NAG A 32 -7.376 10.907 -1.593 1.00 0.00 C HETATM 427 C4 NAG A 32 -6.228 11.898 -1.926 1.00 0.00 C HETATM 428 C5 NAG A 32 -6.859 13.228 -2.356 1.00 0.00 C HETATM 429 C6 NAG A 32 -5.826 14.331 -2.658 1.00 0.00 C HETATM 430 C7 NAG A 32 -9.919 8.925 -1.902 1.00 0.00 C HETATM 431 C8 NAG A 32 -11.359 8.519 -1.872 1.00 0.00 C HETATM 432 N2 NAG A 32 -9.668 10.102 -2.457 1.00 0.00 N HETATM 433 O1 NAG A 32 -9.457 12.131 -4.394 1.00 0.00 O HETATM 434 O3 NAG A 32 -6.840 9.609 -1.395 1.00 0.00 O HETATM 435 O4 NAG A 32 -5.289 12.164 -0.849 1.00 0.00 O HETATM 436 O5 NAG A 32 -7.631 12.979 -3.515 1.00 0.00 O HETATM 437 O6 NAG A 32 -5.523 15.097 -1.506 1.00 0.00 O HETATM 438 O7 NAG A 32 -9.061 8.190 -1.426 1.00 0.00 O HETATM 0 HO6 NAG A 32 -4.588 14.950 -1.252 1.00 0.00 H new HETATM 0 HO3 NAG A 32 -7.571 8.961 -1.318 1.00 0.00 H new HETATM 0 HO1 NAG A 32 -9.703 13.031 -4.693 1.00 0.00 H new HETATM 0 HN2 NAG A 32 -10.504 10.619 -2.729 1.00 0.00 H new HETATM 0 H83 NAG A 32 -11.932 9.253 -1.306 1.00 0.00 H new HETATM 0 H82 NAG A 32 -11.743 8.466 -2.891 1.00 0.00 H new HETATM 0 H81 NAG A 32 -11.452 7.542 -1.398 1.00 0.00 H new HETATM 0 H62 NAG A 32 -4.913 13.878 -3.044 1.00 0.00 H new HETATM 0 H61 NAG A 32 -6.212 14.986 -3.439 1.00 0.00 H new HETATM 0 H5 NAG A 32 -7.463 13.597 -1.527 1.00 0.00 H new HETATM 0 H4 NAG A 32 -5.642 11.419 -2.710 1.00 0.00 H new HETATM 0 H3 NAG A 32 -7.875 11.277 -0.697 1.00 0.00 H new HETATM 0 H2 NAG A 32 -7.881 10.217 -3.514 1.00 0.00 H new HETATM 0 H1 NAG A 32 -9.346 12.665 -2.403 1.00 0.00 H new HETATM 453 C1 NAG A 33 -4.444 11.136 -0.440 1.00 0.00 C HETATM 454 C2 NAG A 33 -3.155 11.707 0.140 1.00 0.00 C HETATM 455 C3 NAG A 33 -2.388 10.627 0.919 1.00 0.00 C HETATM 456 C4 NAG A 33 -3.247 9.777 1.870 1.00 0.00 C HETATM 457 C5 NAG A 33 -4.425 9.302 1.022 1.00 0.00 C HETATM 458 C6 NAG A 33 -5.450 8.441 1.765 1.00 0.00 C HETATM 459 C7 NAG A 33 -2.268 13.541 -1.264 1.00 0.00 C HETATM 460 C8 NAG A 33 -1.236 13.926 -2.278 1.00 0.00 C HETATM 461 N2 NAG A 33 -2.294 12.263 -0.923 1.00 0.00 N HETATM 462 O3 NAG A 33 -1.377 11.284 1.643 1.00 0.00 O HETATM 463 O4 NAG A 33 -2.508 8.615 2.314 1.00 0.00 O HETATM 464 O5 NAG A 33 -5.140 10.424 0.566 1.00 0.00 O HETATM 465 O6 NAG A 33 -6.483 8.129 0.840 1.00 0.00 O HETATM 466 O7 NAG A 33 -3.042 14.373 -0.815 1.00 0.00 O HETATM 0 HO6 NAG A 33 -6.482 8.788 0.114 1.00 0.00 H new HETATM 0 HO3 NAG A 33 -1.194 10.791 2.470 1.00 0.00 H new HETATM 0 HN2 NAG A 33 -1.681 11.622 -1.426 1.00 0.00 H new HETATM 0 H83 NAG A 33 -0.243 13.695 -1.893 1.00 0.00 H new HETATM 0 H82 NAG A 33 -1.406 13.369 -3.200 1.00 0.00 H new HETATM 0 H81 NAG A 33 -1.306 14.995 -2.481 1.00 0.00 H new HETATM 0 H62 NAG A 33 -4.985 7.531 2.145 1.00 0.00 H new HETATM 0 H61 NAG A 33 -5.852 8.977 2.625 1.00 0.00 H new HETATM 0 H5 NAG A 33 -3.977 8.699 0.232 1.00 0.00 H new HETATM 0 H4 NAG A 33 -3.549 10.346 2.749 1.00 0.00 H new HETATM 0 H3 NAG A 33 -1.996 9.913 0.195 1.00 0.00 H new HETATM 0 H2 NAG A 33 -3.427 12.513 0.822 1.00 0.00 H new HETATM 480 C1 NAG A 34 -1.979 8.595 3.601 1.00 0.00 C HETATM 481 C2 NAG A 34 -1.441 7.186 3.842 1.00 0.00 C HETATM 482 C3 NAG A 34 -0.636 7.211 5.141 1.00 0.00 C HETATM 483 C4 NAG A 34 0.477 8.252 5.049 1.00 0.00 C HETATM 484 C5 NAG A 34 -0.215 9.606 4.867 1.00 0.00 C HETATM 485 C6 NAG A 34 0.827 10.741 4.845 1.00 0.00 C HETATM 486 C7 NAG A 34 -2.920 5.529 2.763 1.00 0.00 C HETATM 487 C8 NAG A 34 -4.194 4.766 2.914 1.00 0.00 C HETATM 488 N2 NAG A 34 -2.528 6.190 3.848 1.00 0.00 N HETATM 489 O3 NAG A 34 0.046 6.009 5.386 1.00 0.00 O HETATM 490 O4 NAG A 34 1.254 8.130 6.237 1.00 0.00 O HETATM 491 O5 NAG A 34 -0.933 9.566 3.641 1.00 0.00 O HETATM 492 O6 NAG A 34 1.673 10.710 5.986 1.00 0.00 O HETATM 493 O7 NAG A 34 -2.347 5.556 1.678 1.00 0.00 O HETATM 0 HO6 NAG A 34 2.320 11.444 5.933 1.00 0.00 H new HETATM 0 HO4 NAG A 34 1.527 9.020 6.542 1.00 0.00 H new HETATM 0 HO3 NAG A 34 0.802 6.178 5.986 1.00 0.00 H new HETATM 0 HN2 NAG A 34 -3.004 5.998 4.730 1.00 0.00 H new HETATM 0 H83 NAG A 34 -4.083 4.026 3.707 1.00 0.00 H new HETATM 0 H82 NAG A 34 -5.001 5.453 3.169 1.00 0.00 H new HETATM 0 H81 NAG A 34 -4.429 4.262 1.977 1.00 0.00 H new HETATM 0 H62 NAG A 34 1.433 10.659 3.942 1.00 0.00 H new HETATM 0 H61 NAG A 34 0.315 11.702 4.799 1.00 0.00 H new HETATM 0 H5 NAG A 34 -0.896 9.798 5.696 1.00 0.00 H new HETATM 0 H4 NAG A 34 1.163 8.126 4.212 1.00 0.00 H new HETATM 0 H3 NAG A 34 -1.368 7.414 5.923 1.00 0.00 H new HETATM 0 H2 NAG A 34 -0.784 6.878 3.029 1.00 0.00 H new