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 -154:sc= 1.16 USER MOD Set 1.2: A 34 NAG O3 : rot 151:sc= 1.12 USER MOD Set 2.1: A 17 GLN : amide:sc= 1.58 K(o=9,f=-6!) USER MOD Set 2.2: A 26 LYS NZ :NH3+ 179:sc= 3.26 (180deg=0) USER MOD Set 2.3: A 32 NAG O3 : rot -104:sc= 1.79 USER MOD Set 2.4: A 33 NAG O6 : rot -117:sc= 2.4 USER MOD Set 3.1: A 1 VAL N :NH3+ 169:sc= 1.98 (180deg=0.379) USER MOD Set 3.2: A 34 NAG O6 : rot -71:sc= 1.69 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0846 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -129:sc= 0.043 USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.22) USER MOD Single : A 32 NAG O1 : rot 180:sc= 0 USER MOD Single : A 32 NAG O6 : rot -51:sc= 1.04 USER MOD Single : A 33 NAG O3 : rot 153:sc= 1.21 USER MOD Single : A 34 NAG O4 : rot 172:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.195 7.490 6.238 1.00 0.00 N ATOM 2 CA VAL A 1 7.628 6.236 6.892 1.00 0.00 C ATOM 3 C VAL A 1 6.639 5.112 6.611 1.00 0.00 C ATOM 4 O VAL A 1 5.435 5.337 6.672 1.00 0.00 O ATOM 5 CB VAL A 1 7.860 6.392 8.399 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.087 7.271 8.641 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.670 6.992 9.152 1.00 0.00 C ATOM 0 H1 VAL A 1 7.771 8.281 6.589 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.315 7.404 5.209 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.194 7.668 6.456 1.00 0.00 H new ATOM 0 HA VAL A 1 8.593 5.978 6.457 1.00 0.00 H new ATOM 0 HB VAL A 1 8.007 5.384 8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.250 7.381 9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 1 9.962 6.807 8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.925 8.253 8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.912 7.070 10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.451 7.984 8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.798 6.350 9.025 1.00 0.00 H new ATOM 19 N GLY A 2 7.134 3.919 6.283 1.00 0.00 N ATOM 20 CA GLY A 2 6.306 2.778 5.875 1.00 0.00 C ATOM 21 C GLY A 2 6.076 2.739 4.361 1.00 0.00 C ATOM 22 O GLY A 2 5.064 2.216 3.896 1.00 0.00 O ATOM 0 H GLY A 2 8.133 3.712 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.786 1.852 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.344 2.829 6.385 1.00 0.00 H new ATOM 26 N GLU A 3 6.964 3.376 3.599 1.00 0.00 N ATOM 27 CA GLU A 3 6.850 3.576 2.158 1.00 0.00 C ATOM 28 C GLU A 3 7.281 2.325 1.385 1.00 0.00 C ATOM 29 O GLU A 3 8.141 1.564 1.827 1.00 0.00 O ATOM 30 CB GLU A 3 7.589 4.856 1.718 1.00 0.00 C ATOM 31 CG GLU A 3 8.954 5.156 2.361 1.00 0.00 C ATOM 32 CD GLU A 3 8.816 5.616 3.818 1.00 0.00 C ATOM 33 OE1 GLU A 3 8.394 6.769 4.071 1.00 0.00 O ATOM 34 OE2 GLU A 3 8.990 4.754 4.713 1.00 0.00 O ATOM 0 H GLU A 3 7.816 3.782 3.986 1.00 0.00 H new ATOM 0 HA GLU A 3 5.800 3.731 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.732 4.805 0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.933 5.705 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.578 4.263 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.464 5.927 1.784 1.00 0.00 H new ATOM 41 N CYS A 4 6.641 2.063 0.244 1.00 0.00 N ATOM 42 CA CYS A 4 6.732 0.742 -0.368 1.00 0.00 C ATOM 43 C CYS A 4 8.030 0.529 -1.152 1.00 0.00 C ATOM 44 O CYS A 4 8.554 1.414 -1.831 1.00 0.00 O ATOM 45 CB CYS A 4 5.545 0.502 -1.306 1.00 0.00 C ATOM 46 SG CYS A 4 3.905 0.893 -0.647 1.00 0.00 S ATOM 0 H CYS A 4 6.066 2.735 -0.264 1.00 0.00 H new ATOM 0 HA CYS A 4 6.720 0.029 0.456 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.699 1.092 -2.210 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.552 -0.546 -1.604 1.00 0.00 H new ATOM 51 N VAL A 5 8.447 -0.731 -1.212 1.00 0.00 N ATOM 52 CA VAL A 5 9.492 -1.227 -2.096 1.00 0.00 C ATOM 53 C VAL A 5 8.937 -1.209 -3.512 1.00 0.00 C ATOM 54 O VAL A 5 8.380 -2.196 -3.993 1.00 0.00 O ATOM 55 CB VAL A 5 9.947 -2.635 -1.675 1.00 0.00 C ATOM 56 CG1 VAL A 5 11.116 -3.109 -2.543 1.00 0.00 C ATOM 57 CG2 VAL A 5 10.419 -2.634 -0.217 1.00 0.00 C ATOM 0 H VAL A 5 8.050 -1.462 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 5 10.377 -0.594 -2.040 1.00 0.00 H new ATOM 0 HB VAL A 5 9.094 -3.302 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.422 -4.107 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 5 10.806 -3.137 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.954 -2.421 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.737 -3.638 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 5 11.256 -1.944 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.601 -2.319 0.430 1.00 0.00 H new ATOM 67 N ARG A 6 8.983 -0.026 -4.136 1.00 0.00 N ATOM 68 CA ARG A 6 8.585 0.230 -5.525 1.00 0.00 C ATOM 69 C ARG A 6 7.190 -0.315 -5.846 1.00 0.00 C ATOM 70 O ARG A 6 6.898 -0.741 -6.963 1.00 0.00 O ATOM 71 CB ARG A 6 9.691 -0.272 -6.475 1.00 0.00 C ATOM 72 CG ARG A 6 10.110 0.782 -7.510 1.00 0.00 C ATOM 73 CD ARG A 6 8.981 1.227 -8.448 1.00 0.00 C ATOM 74 NE ARG A 6 8.328 0.079 -9.089 1.00 0.00 N ATOM 75 CZ ARG A 6 8.636 -0.512 -10.232 1.00 0.00 C ATOM 76 NH1 ARG A 6 9.609 -0.071 -10.996 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.965 -1.570 -10.621 1.00 0.00 N ATOM 0 H ARG A 6 9.313 0.816 -3.665 1.00 0.00 H new ATOM 0 HA ARG A 6 8.487 1.305 -5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.562 -0.565 -5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.341 -1.165 -6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.497 1.656 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.928 0.382 -8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.243 1.798 -7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.383 1.892 -9.213 1.00 0.00 H new ATOM 0 HE ARG A 6 7.532 -0.315 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.149 0.747 -10.713 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.825 -0.546 -11.872 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.208 -1.935 -10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.200 -2.028 -11.502 1.00 0.00 H new ATOM 91 N GLY A 7 6.336 -0.270 -4.830 1.00 0.00 N ATOM 92 CA GLY A 7 4.942 -0.705 -4.899 1.00 0.00 C ATOM 93 C GLY A 7 4.589 -1.923 -4.040 1.00 0.00 C ATOM 94 O GLY A 7 3.416 -2.293 -4.003 1.00 0.00 O ATOM 0 H GLY A 7 6.600 0.080 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.305 0.127 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.701 -0.932 -5.938 1.00 0.00 H new ATOM 98 N ARG A 8 5.535 -2.555 -3.326 1.00 0.00 N ATOM 99 CA ARG A 8 5.198 -3.666 -2.427 1.00 0.00 C ATOM 100 C ARG A 8 5.775 -3.499 -1.027 1.00 0.00 C ATOM 101 O ARG A 8 6.661 -2.694 -0.785 1.00 0.00 O ATOM 102 CB ARG A 8 5.702 -4.985 -3.040 1.00 0.00 C ATOM 103 CG ARG A 8 4.663 -5.724 -3.892 1.00 0.00 C ATOM 104 CD ARG A 8 3.303 -5.962 -3.213 1.00 0.00 C ATOM 105 NE ARG A 8 3.399 -6.476 -1.831 1.00 0.00 N ATOM 106 CZ ARG A 8 2.378 -6.560 -0.987 1.00 0.00 C ATOM 107 NH1 ARG A 8 1.145 -6.285 -1.331 1.00 0.00 N ATOM 108 NH2 ARG A 8 2.557 -6.901 0.257 1.00 0.00 N ATOM 0 H ARG A 8 6.527 -2.318 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 8 4.113 -3.677 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.576 -4.775 -3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.030 -5.644 -2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.499 -5.156 -4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.078 -6.689 -4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.746 -5.025 -3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.729 -6.668 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 8 4.313 -6.788 -1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.935 -5.991 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.394 -6.365 -0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.495 -7.109 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.759 -6.960 0.890 1.00 0.00 H new ATOM 122 N CYS A 9 5.303 -4.349 -0.127 1.00 0.00 N ATOM 123 CA CYS A 9 5.998 -4.791 1.067 1.00 0.00 C ATOM 124 C CYS A 9 5.920 -6.324 1.072 1.00 0.00 C ATOM 125 O CYS A 9 5.264 -6.886 0.182 1.00 0.00 O ATOM 126 CB CYS A 9 5.293 -4.174 2.277 1.00 0.00 C ATOM 127 SG CYS A 9 6.008 -2.598 2.800 1.00 0.00 S ATOM 0 H CYS A 9 4.378 -4.769 -0.217 1.00 0.00 H new ATOM 0 HA CYS A 9 7.043 -4.484 1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.240 -4.025 2.037 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.334 -4.877 3.109 1.00 0.00 H new ATOM 132 N PRO A 10 6.517 -7.001 2.069 1.00 0.00 N ATOM 133 CA PRO A 10 6.244 -8.401 2.385 1.00 0.00 C ATOM 134 C PRO A 10 4.748 -8.721 2.488 1.00 0.00 C ATOM 135 O PRO A 10 3.893 -7.856 2.294 1.00 0.00 O ATOM 136 CB PRO A 10 6.976 -8.667 3.705 1.00 0.00 C ATOM 137 CG PRO A 10 8.140 -7.680 3.653 1.00 0.00 C ATOM 138 CD PRO A 10 7.503 -6.461 2.992 1.00 0.00 C ATOM 0 HA PRO A 10 6.595 -9.050 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.333 -8.489 4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.323 -9.698 3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.523 -7.450 4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.976 -8.068 3.071 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.036 -5.811 3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.248 -5.863 2.467 1.00 0.00 H new ATOM 146 N SER A 11 4.419 -9.986 2.752 1.00 0.00 N ATOM 147 CA SER A 11 3.028 -10.447 2.717 1.00 0.00 C ATOM 148 C SER A 11 2.113 -9.740 3.727 1.00 0.00 C ATOM 149 O SER A 11 2.523 -8.901 4.527 1.00 0.00 O ATOM 150 CB SER A 11 2.953 -11.964 2.892 1.00 0.00 C ATOM 151 OG SER A 11 1.633 -12.389 2.608 1.00 0.00 O ATOM 0 H SER A 11 5.096 -10.710 2.992 1.00 0.00 H new ATOM 0 HA SER A 11 2.651 -10.178 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.660 -12.457 2.225 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.228 -12.241 3.910 1.00 0.00 H new ATOM 0 HG SER A 11 1.572 -13.361 2.715 1.00 0.00 H new ATOM 157 N GLY A 12 0.820 -10.045 3.659 1.00 0.00 N ATOM 158 CA GLY A 12 -0.214 -9.490 4.532 1.00 0.00 C ATOM 159 C GLY A 12 -0.479 -7.981 4.402 1.00 0.00 C ATOM 160 O GLY A 12 -1.525 -7.532 4.868 1.00 0.00 O ATOM 0 H GLY A 12 0.450 -10.705 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.147 -10.019 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.061 -9.701 5.565 1.00 0.00 H new ATOM 164 N MET A 13 0.413 -7.189 3.796 1.00 0.00 N ATOM 165 CA MET A 13 0.193 -5.760 3.552 1.00 0.00 C ATOM 166 C MET A 13 -0.157 -5.470 2.087 1.00 0.00 C ATOM 167 O MET A 13 0.110 -6.281 1.195 1.00 0.00 O ATOM 168 CB MET A 13 1.468 -4.981 3.891 1.00 0.00 C ATOM 169 CG MET A 13 1.998 -5.258 5.297 1.00 0.00 C ATOM 170 SD MET A 13 3.489 -4.303 5.676 1.00 0.00 S ATOM 171 CE MET A 13 3.848 -4.949 7.329 1.00 0.00 C ATOM 0 H MET A 13 1.315 -7.525 3.459 1.00 0.00 H new ATOM 0 HA MET A 13 -0.643 -5.453 4.181 1.00 0.00 H new ATOM 0 HB2 MET A 13 2.241 -5.232 3.164 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.270 -3.914 3.790 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.224 -5.022 6.027 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.216 -6.321 5.397 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.744 -4.467 7.721 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.006 -4.744 7.991 1.00 0.00 H new ATOM 0 HE3 MET A 13 4.010 -6.025 7.272 1.00 0.00 H new ATOM 181 N CYS A 14 -0.651 -4.260 1.820 1.00 0.00 N ATOM 182 CA CYS A 14 -0.836 -3.744 0.463 1.00 0.00 C ATOM 183 C CYS A 14 -0.289 -2.315 0.356 1.00 0.00 C ATOM 184 O CYS A 14 -0.203 -1.623 1.368 1.00 0.00 O ATOM 185 CB CYS A 14 -2.324 -3.770 0.117 1.00 0.00 C ATOM 186 SG CYS A 14 -3.211 -5.291 0.561 1.00 0.00 S ATOM 0 H CYS A 14 -0.937 -3.604 2.547 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.289 -4.371 -0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.809 -2.930 0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.431 -3.609 -0.956 1.00 0.00 H new ATOM 191 N CYS A 15 0.054 -1.862 -0.854 1.00 0.00 N ATOM 192 CA CYS A 15 0.629 -0.533 -1.063 1.00 0.00 C ATOM 193 C CYS A 15 -0.450 0.481 -1.473 1.00 0.00 C ATOM 194 O CYS A 15 -1.278 0.180 -2.330 1.00 0.00 O ATOM 195 CB CYS A 15 1.729 -0.619 -2.124 1.00 0.00 C ATOM 196 SG CYS A 15 2.690 0.907 -2.279 1.00 0.00 S ATOM 0 H CYS A 15 -0.059 -2.404 -1.711 1.00 0.00 H new ATOM 0 HA CYS A 15 1.061 -0.184 -0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.401 -1.440 -1.876 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.278 -0.856 -3.088 1.00 0.00 H new ATOM 201 N SER A 16 -0.443 1.676 -0.874 1.00 0.00 N ATOM 202 CA SER A 16 -1.498 2.673 -1.028 1.00 0.00 C ATOM 203 C SER A 16 -1.288 3.573 -2.234 1.00 0.00 C ATOM 204 O SER A 16 -0.180 3.720 -2.747 1.00 0.00 O ATOM 205 CB SER A 16 -1.553 3.566 0.219 1.00 0.00 C ATOM 206 OG SER A 16 -0.459 4.472 0.266 1.00 0.00 O ATOM 0 H SER A 16 0.311 1.979 -0.258 1.00 0.00 H new ATOM 0 HA SER A 16 -2.427 2.120 -1.168 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.489 4.125 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.548 2.943 1.113 1.00 0.00 H new ATOM 0 HG SER A 16 -0.024 4.414 1.142 1.00 0.00 H new ATOM 212 N GLN A 17 -2.332 4.327 -2.584 1.00 0.00 N ATOM 213 CA GLN A 17 -2.207 5.431 -3.524 1.00 0.00 C ATOM 214 C GLN A 17 -1.338 6.591 -3.018 1.00 0.00 C ATOM 215 O GLN A 17 -1.103 7.538 -3.761 1.00 0.00 O ATOM 216 CB GLN A 17 -3.585 5.871 -4.017 1.00 0.00 C ATOM 217 CG GLN A 17 -4.337 6.759 -3.025 1.00 0.00 C ATOM 218 CD GLN A 17 -4.758 6.047 -1.744 1.00 0.00 C ATOM 219 OE1 GLN A 17 -4.573 6.531 -0.636 1.00 0.00 O ATOM 220 NE2 GLN A 17 -5.333 4.869 -1.854 1.00 0.00 N ATOM 0 H GLN A 17 -3.277 4.188 -2.225 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.652 5.056 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.470 6.409 -4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.186 4.986 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.706 7.609 -2.765 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.225 7.159 -3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.489 4.462 -2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.623 4.363 -1.017 1.00 0.00 H new HETATM 229 N PFF A 18 -0.832 6.518 -1.782 1.00 0.00 N HETATM 230 CA PFF A 18 0.188 7.437 -1.287 1.00 0.00 C HETATM 231 C PFF A 18 1.567 6.769 -1.189 1.00 0.00 C HETATM 232 O PFF A 18 2.519 7.404 -0.749 1.00 0.00 O HETATM 233 CB PFF A 18 -0.302 8.052 0.031 1.00 0.00 C HETATM 234 CG PFF A 18 -1.243 9.207 -0.242 1.00 0.00 C HETATM 235 CD1 PFF A 18 -0.735 10.421 -0.739 1.00 0.00 C HETATM 236 CD2 PFF A 18 -2.629 8.992 -0.214 1.00 0.00 C HETATM 237 CE1 PFF A 18 -1.609 11.380 -1.283 1.00 0.00 C HETATM 238 CE2 PFF A 18 -3.502 9.934 -0.788 1.00 0.00 C HETATM 239 CZ PFF A 18 -2.987 11.115 -1.349 1.00 0.00 C HETATM 240 F PFF A 18 -3.826 12.004 -1.944 1.00 0.00 F HETATM 0 HE2 PFF A 18 -4.576 9.748 -0.798 1.00 0.00 H new HETATM 0 HE1 PFF A 18 -1.217 12.328 -1.653 1.00 0.00 H new HETATM 0 HD2 PFF A 18 -3.030 8.093 0.254 1.00 0.00 H new HETATM 0 HD1 PFF A 18 0.336 10.619 -0.703 1.00 0.00 H new HETATM 0 HB3 PFF A 18 -0.810 7.294 0.627 1.00 0.00 H new HETATM 0 HB2 PFF A 18 0.550 8.399 0.616 1.00 0.00 H new HETATM 0 HA PFF A 18 0.335 8.248 -2.000 1.00 0.00 H new ATOM 249 N GLY A 19 1.704 5.513 -1.631 1.00 0.00 N ATOM 250 CA GLY A 19 3.000 4.848 -1.693 1.00 0.00 C ATOM 251 C GLY A 19 3.414 4.188 -0.382 1.00 0.00 C ATOM 252 O GLY A 19 4.600 3.919 -0.198 1.00 0.00 O ATOM 0 H GLY A 19 0.925 4.938 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.973 4.092 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.759 5.577 -1.978 1.00 0.00 H new HETATM 256 N PFF A 20 2.475 3.927 0.534 1.00 0.00 N HETATM 257 CA PFF A 20 2.783 3.313 1.820 1.00 0.00 C HETATM 258 C PFF A 20 2.169 1.925 1.970 1.00 0.00 C HETATM 259 O PFF A 20 1.193 1.605 1.297 1.00 0.00 O HETATM 260 CB PFF A 20 2.290 4.247 2.915 1.00 0.00 C HETATM 261 CG PFF A 20 2.991 5.586 2.875 1.00 0.00 C HETATM 262 CD1 PFF A 20 2.399 6.684 2.228 1.00 0.00 C HETATM 263 CD2 PFF A 20 4.263 5.725 3.454 1.00 0.00 C HETATM 264 CE1 PFF A 20 3.016 7.945 2.277 1.00 0.00 C HETATM 265 CE2 PFF A 20 4.910 6.969 3.443 1.00 0.00 C HETATM 266 CZ PFF A 20 4.269 8.088 2.891 1.00 0.00 C HETATM 267 F PFF A 20 4.903 9.290 2.869 1.00 0.00 F HETATM 0 HE2 PFF A 20 5.911 7.066 3.863 1.00 0.00 H new HETATM 0 HE1 PFF A 20 2.521 8.812 1.838 1.00 0.00 H new HETATM 0 HD2 PFF A 20 4.748 4.864 3.913 1.00 0.00 H new HETATM 0 HD1 PFF A 20 1.461 6.557 1.688 1.00 0.00 H new HETATM 0 HB3 PFF A 20 1.216 4.397 2.807 1.00 0.00 H new HETATM 0 HB2 PFF A 20 2.451 3.782 3.888 1.00 0.00 H new HETATM 0 HA PFF A 20 3.861 3.169 1.893 1.00 0.00 H new ATOM 276 N CYS A 21 2.715 1.106 2.868 1.00 0.00 N ATOM 277 CA CYS A 21 2.257 -0.259 3.093 1.00 0.00 C ATOM 278 C CYS A 21 1.257 -0.325 4.252 1.00 0.00 C ATOM 279 O CYS A 21 1.552 0.155 5.344 1.00 0.00 O ATOM 280 CB CYS A 21 3.466 -1.141 3.404 1.00 0.00 C ATOM 281 SG CYS A 21 4.691 -1.233 2.078 1.00 0.00 S ATOM 0 H CYS A 21 3.496 1.377 3.465 1.00 0.00 H new ATOM 0 HA CYS A 21 1.752 -0.612 2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.952 -0.765 4.304 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.116 -2.149 3.628 1.00 0.00 H new ATOM 286 N GLY A 22 0.082 -0.925 4.045 1.00 0.00 N ATOM 287 CA GLY A 22 -0.911 -1.024 5.103 1.00 0.00 C ATOM 288 C GLY A 22 -2.069 -1.943 4.733 1.00 0.00 C ATOM 289 O GLY A 22 -1.894 -2.917 3.996 1.00 0.00 O ATOM 0 H GLY A 22 -0.198 -1.345 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.434 -1.393 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.298 -0.030 5.328 1.00 0.00 H new ATOM 293 N LYS A 23 -3.235 -1.650 5.318 1.00 0.00 N ATOM 294 CA LYS A 23 -4.418 -2.511 5.349 1.00 0.00 C ATOM 295 C LYS A 23 -5.656 -1.804 4.785 1.00 0.00 C ATOM 296 O LYS A 23 -5.635 -0.612 4.479 1.00 0.00 O ATOM 297 CB LYS A 23 -4.683 -2.908 6.815 1.00 0.00 C ATOM 298 CG LYS A 23 -3.556 -3.715 7.474 1.00 0.00 C ATOM 299 CD LYS A 23 -3.473 -5.138 6.918 1.00 0.00 C ATOM 300 CE LYS A 23 -2.528 -5.961 7.797 1.00 0.00 C ATOM 301 NZ LYS A 23 -2.545 -7.388 7.408 1.00 0.00 N ATOM 0 H LYS A 23 -3.385 -0.766 5.804 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.229 -3.387 4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.852 -2.002 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.603 -3.491 6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.605 -3.207 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.720 -3.755 8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.463 -5.594 6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.111 -5.120 5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.514 -5.570 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.821 -5.862 8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.123 -7.960 8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.527 -7.693 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.998 -7.516 6.533 1.00 0.00 H new ATOM 315 N GLY A 24 -6.755 -2.559 4.712 1.00 0.00 N ATOM 316 CA GLY A 24 -8.089 -2.051 4.407 1.00 0.00 C ATOM 317 C GLY A 24 -8.223 -1.460 3.002 1.00 0.00 C ATOM 318 O GLY A 24 -7.267 -1.439 2.225 1.00 0.00 O ATOM 0 H GLY A 24 -6.738 -3.567 4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.810 -2.861 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.352 -1.287 5.138 1.00 0.00 H new ATOM 322 N PRO A 25 -9.418 -0.959 2.659 1.00 0.00 N ATOM 323 CA PRO A 25 -9.682 -0.341 1.368 1.00 0.00 C ATOM 324 C PRO A 25 -8.666 0.750 1.027 1.00 0.00 C ATOM 325 O PRO A 25 -8.114 0.754 -0.070 1.00 0.00 O ATOM 326 CB PRO A 25 -11.108 0.211 1.468 1.00 0.00 C ATOM 327 CG PRO A 25 -11.766 -0.716 2.490 1.00 0.00 C ATOM 328 CD PRO A 25 -10.625 -1.007 3.465 1.00 0.00 C ATOM 0 HA PRO A 25 -9.588 -1.063 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.116 1.249 1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.621 0.180 0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.610 -0.237 2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.144 -1.627 2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.593 -0.269 4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.747 -1.983 3.935 1.00 0.00 H new ATOM 336 N LYS A 26 -8.378 1.648 1.978 1.00 0.00 N ATOM 337 CA LYS A 26 -7.583 2.854 1.728 1.00 0.00 C ATOM 338 C LYS A 26 -6.166 2.544 1.236 1.00 0.00 C ATOM 339 O LYS A 26 -5.690 3.224 0.329 1.00 0.00 O ATOM 340 CB LYS A 26 -7.604 3.758 2.977 1.00 0.00 C ATOM 341 CG LYS A 26 -7.811 5.246 2.648 1.00 0.00 C ATOM 342 CD LYS A 26 -6.574 5.912 2.043 1.00 0.00 C ATOM 343 CE LYS A 26 -6.817 7.407 1.817 1.00 0.00 C ATOM 344 NZ LYS A 26 -5.565 8.082 1.415 1.00 0.00 N ATOM 0 H LYS A 26 -8.691 1.557 2.944 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.044 3.401 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.400 3.426 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.665 3.640 3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.644 5.344 1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.092 5.776 3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.720 5.774 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.323 5.433 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.575 7.545 1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.204 7.860 2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.752 9.092 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.858 7.980 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.203 7.650 0.541 1.00 0.00 H new ATOM 358 N TYR A 27 -5.510 1.499 1.756 1.00 0.00 N ATOM 359 CA TYR A 27 -4.240 1.056 1.177 1.00 0.00 C ATOM 360 C TYR A 27 -4.483 -0.009 0.114 1.00 0.00 C ATOM 361 O TYR A 27 -3.951 0.082 -0.982 1.00 0.00 O ATOM 362 CB TYR A 27 -3.272 0.490 2.226 1.00 0.00 C ATOM 363 CG TYR A 27 -2.710 1.477 3.239 1.00 0.00 C ATOM 364 CD1 TYR A 27 -3.543 2.134 4.160 1.00 0.00 C ATOM 365 CD2 TYR A 27 -1.320 1.675 3.320 1.00 0.00 C ATOM 366 CE1 TYR A 27 -2.982 2.815 5.253 1.00 0.00 C ATOM 367 CE2 TYR A 27 -0.761 2.423 4.375 1.00 0.00 C ATOM 368 CZ TYR A 27 -1.597 2.947 5.369 1.00 0.00 C ATOM 369 OH TYR A 27 -1.098 3.696 6.386 1.00 0.00 O ATOM 0 H TYR A 27 -5.830 0.956 2.558 1.00 0.00 H new ATOM 0 HA TYR A 27 -3.781 1.941 0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.786 -0.302 2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.436 0.026 1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.615 2.115 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.675 1.249 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.626 3.239 6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.305 2.591 4.417 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.219 4.048 6.133 1.00 0.00 H new ATOM 379 N CYS A 28 -5.260 -1.042 0.438 1.00 0.00 N ATOM 380 CA CYS A 28 -5.294 -2.254 -0.366 1.00 0.00 C ATOM 381 C CYS A 28 -6.308 -2.212 -1.513 1.00 0.00 C ATOM 382 O CYS A 28 -6.022 -2.699 -2.607 1.00 0.00 O ATOM 383 CB CYS A 28 -5.570 -3.433 0.564 1.00 0.00 C ATOM 384 SG CYS A 28 -5.087 -5.008 -0.180 1.00 0.00 S ATOM 0 H CYS A 28 -5.873 -1.060 1.253 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.325 -2.358 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.028 -3.292 1.499 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.631 -3.459 0.812 1.00 0.00 H new ATOM 389 N GLY A 29 -7.471 -1.589 -1.306 1.00 0.00 N ATOM 390 CA GLY A 29 -8.421 -1.329 -2.390 1.00 0.00 C ATOM 391 C GLY A 29 -7.918 -0.198 -3.287 1.00 0.00 C ATOM 392 O GLY A 29 -8.125 -0.223 -4.497 1.00 0.00 O ATOM 0 H GLY A 29 -7.778 -1.254 -0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.563 -2.234 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.393 -1.065 -1.973 1.00 0.00 H new ATOM 396 N ARG A 30 -7.210 0.758 -2.675 1.00 0.00 N ATOM 397 CA ARG A 30 -6.318 1.780 -3.235 1.00 0.00 C ATOM 398 C ARG A 30 -6.964 2.825 -4.149 1.00 0.00 C ATOM 399 O ARG A 30 -6.484 3.952 -4.183 1.00 0.00 O ATOM 400 CB ARG A 30 -5.069 1.126 -3.852 1.00 0.00 C ATOM 401 CG ARG A 30 -5.158 0.758 -5.342 1.00 0.00 C ATOM 402 CD ARG A 30 -4.481 -0.592 -5.594 1.00 0.00 C ATOM 403 NE ARG A 30 -5.299 -1.700 -5.069 1.00 0.00 N ATOM 404 CZ ARG A 30 -6.253 -2.363 -5.706 1.00 0.00 C ATOM 405 NH1 ARG A 30 -6.565 -2.111 -6.956 1.00 0.00 N ATOM 406 NH2 ARG A 30 -6.908 -3.305 -5.073 1.00 0.00 N ATOM 0 H ARG A 30 -7.254 0.844 -1.660 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.016 2.388 -2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.226 1.804 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.844 0.220 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.202 0.713 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.680 1.531 -5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.321 -0.729 -6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.499 -0.604 -5.121 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.110 -1.988 -4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.067 -1.384 -7.469 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.306 -2.642 -7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.681 -3.520 -4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.645 -3.823 -5.551 1.00 0.00 H new HETATM 420 N NH2 A 31 -8.055 2.519 -4.836 1.00 0.00 N TER 423 NH2 A 31 HETATM 424 C1 NAG A 32 -7.234 13.795 2.142 1.00 0.00 C HETATM 425 C2 NAG A 32 -7.025 12.294 2.105 1.00 0.00 C HETATM 426 C3 NAG A 32 -5.538 12.029 2.371 1.00 0.00 C HETATM 427 C4 NAG A 32 -4.542 12.913 1.585 1.00 0.00 C HETATM 428 C5 NAG A 32 -5.064 14.347 1.396 1.00 0.00 C HETATM 429 C6 NAG A 32 -4.344 15.056 0.230 1.00 0.00 C HETATM 430 C7 NAG A 32 -7.775 10.679 3.946 1.00 0.00 C HETATM 431 C8 NAG A 32 -8.968 10.347 4.786 1.00 0.00 C HETATM 432 N2 NAG A 32 -7.965 11.648 3.055 1.00 0.00 N HETATM 433 O1 NAG A 32 -8.529 14.069 1.783 1.00 0.00 O HETATM 434 O3 NAG A 32 -5.336 10.666 2.040 1.00 0.00 O HETATM 435 O4 NAG A 32 -3.251 13.019 2.252 1.00 0.00 O HETATM 436 O5 NAG A 32 -6.455 14.386 1.128 1.00 0.00 O HETATM 437 O6 NAG A 32 -2.941 14.873 0.202 1.00 0.00 O HETATM 438 O7 NAG A 32 -6.729 10.054 4.100 1.00 0.00 O HETATM 0 HO6 NAG A 32 -2.565 15.092 1.080 1.00 0.00 H new HETATM 0 HO3 NAG A 32 -5.259 10.138 2.862 1.00 0.00 H new HETATM 0 HO1 NAG A 32 -8.676 15.038 1.804 1.00 0.00 H new HETATM 0 HN2 NAG A 32 -8.918 12.008 3.018 1.00 0.00 H new HETATM 0 H83 NAG A 32 -9.275 11.230 5.347 1.00 0.00 H new HETATM 0 H82 NAG A 32 -9.787 10.023 4.143 1.00 0.00 H new HETATM 0 H81 NAG A 32 -8.713 9.546 5.480 1.00 0.00 H new HETATM 0 H62 NAG A 32 -4.762 14.696 -0.710 1.00 0.00 H new HETATM 0 H61 NAG A 32 -4.556 16.124 0.285 1.00 0.00 H new HETATM 0 H5 NAG A 32 -4.863 14.858 2.338 1.00 0.00 H new HETATM 0 H4 NAG A 32 -4.431 12.417 0.621 1.00 0.00 H new HETATM 0 H3 NAG A 32 -5.330 12.276 3.412 1.00 0.00 H new HETATM 0 H2 NAG A 32 -7.255 11.852 1.136 1.00 0.00 H new HETATM 0 H1 NAG A 32 -6.983 14.162 3.137 1.00 0.00 H new HETATM 453 C1 NAG A 33 -2.480 11.873 2.399 1.00 0.00 C HETATM 454 C2 NAG A 33 -1.049 12.202 2.835 1.00 0.00 C HETATM 455 C3 NAG A 33 -0.340 10.879 3.169 1.00 0.00 C HETATM 456 C4 NAG A 33 -1.124 9.984 4.127 1.00 0.00 C HETATM 457 C5 NAG A 33 -2.538 9.831 3.579 1.00 0.00 C HETATM 458 C6 NAG A 33 -3.434 9.006 4.518 1.00 0.00 C HETATM 459 C7 NAG A 33 -0.344 14.232 1.590 1.00 0.00 C HETATM 460 C8 NAG A 33 0.628 14.770 0.587 1.00 0.00 C HETATM 461 N2 NAG A 33 -0.290 12.923 1.795 1.00 0.00 N HETATM 462 O3 NAG A 33 0.917 11.127 3.756 1.00 0.00 O HETATM 463 O4 NAG A 33 -0.504 8.686 4.115 1.00 0.00 O HETATM 464 O5 NAG A 33 -3.091 11.116 3.433 1.00 0.00 O HETATM 465 O6 NAG A 33 -4.631 8.610 3.860 1.00 0.00 O HETATM 466 O7 NAG A 33 -1.141 14.977 2.146 1.00 0.00 O HETATM 0 HO6 NAG A 33 -5.402 9.012 4.313 1.00 0.00 H new HETATM 0 HO3 NAG A 33 1.163 10.374 4.333 1.00 0.00 H new HETATM 0 HN2 NAG A 33 0.321 12.374 1.190 1.00 0.00 H new HETATM 0 H83 NAG A 33 1.645 14.553 0.913 1.00 0.00 H new HETATM 0 H82 NAG A 33 0.449 14.301 -0.381 1.00 0.00 H new HETATM 0 H81 NAG A 33 0.498 15.848 0.497 1.00 0.00 H new HETATM 0 H62 NAG A 33 -2.894 8.123 4.860 1.00 0.00 H new HETATM 0 H61 NAG A 33 -3.678 9.593 5.403 1.00 0.00 H new HETATM 0 H5 NAG A 33 -2.485 9.305 2.626 1.00 0.00 H new HETATM 0 H4 NAG A 33 -1.141 10.405 5.132 1.00 0.00 H new HETATM 0 H3 NAG A 33 -0.245 10.359 2.216 1.00 0.00 H new HETATM 0 H2 NAG A 33 -1.095 12.861 3.702 1.00 0.00 H new HETATM 480 C1 NAG A 34 0.140 8.238 5.255 1.00 0.00 C HETATM 481 C2 NAG A 34 0.293 6.739 5.069 1.00 0.00 C HETATM 482 C3 NAG A 34 1.072 6.241 6.280 1.00 0.00 C HETATM 483 C4 NAG A 34 2.436 6.938 6.328 1.00 0.00 C HETATM 484 C5 NAG A 34 2.234 8.462 6.382 1.00 0.00 C HETATM 485 C6 NAG A 34 3.609 9.176 6.326 1.00 0.00 C HETATM 486 C7 NAG A 34 -1.511 5.788 3.670 1.00 0.00 C HETATM 487 C8 NAG A 34 -2.974 5.490 3.587 1.00 0.00 C HETATM 488 N2 NAG A 34 -1.018 6.084 4.872 1.00 0.00 N HETATM 489 O3 NAG A 34 1.329 4.859 6.192 1.00 0.00 O HETATM 490 O4 NAG A 34 3.146 6.436 7.463 1.00 0.00 O HETATM 491 O5 NAG A 34 1.409 8.893 5.301 1.00 0.00 O HETATM 492 O6 NAG A 34 4.664 8.463 6.970 1.00 0.00 O HETATM 493 O7 NAG A 34 -0.856 5.790 2.635 1.00 0.00 O HETATM 0 HO6 NAG A 34 4.532 8.490 7.941 1.00 0.00 H new HETATM 0 HO4 NAG A 34 4.070 6.762 7.441 1.00 0.00 H new HETATM 0 HO3 NAG A 34 2.158 4.649 6.671 1.00 0.00 H new HETATM 0 HN2 NAG A 34 -1.571 5.847 5.696 1.00 0.00 H new HETATM 0 H83 NAG A 34 -3.207 4.631 4.217 1.00 0.00 H new HETATM 0 H82 NAG A 34 -3.542 6.355 3.929 1.00 0.00 H new HETATM 0 H81 NAG A 34 -3.242 5.266 2.554 1.00 0.00 H new HETATM 0 H62 NAG A 34 3.879 9.339 5.283 1.00 0.00 H new HETATM 0 H61 NAG A 34 3.515 10.159 6.788 1.00 0.00 H new HETATM 0 H5 NAG A 34 1.738 8.719 7.318 1.00 0.00 H new HETATM 0 H4 NAG A 34 3.024 6.731 5.434 1.00 0.00 H new HETATM 0 H3 NAG A 34 0.471 6.455 7.164 1.00 0.00 H new HETATM 0 H2 NAG A 34 0.843 6.488 4.162 1.00 0.00 H new