#GTP.fa.tors GTP H8 N7 C8 C5 0 80 2 GTP H8 N7 C8 N9 0 80 2 GTP C5 N7 C8 N9 0 80 2 GTP C8 N7 C5 C6 0 80 2 GTP C8 N7 C5 C4 0 80 2 GTP C6 N7 C5 C4 0 80 2 GTP H8 C8 N9 N7 0 80 2 GTP H8 C8 N9 C4 0 80 2 GTP H8 C8 N9 C1' 0 80 2 GTP N7 C8 N9 C4 0 80 2 GTP N7 C8 N9 C1' 0 80 2 GTP C4 C8 N9 C1' 0 80 2 GTP N7 C5 C6 O6 0 80 2 GTP N7 C5 C6 C4 0 80 2 GTP N7 C5 C6 N1 0 80 2 GTP O6 C5 C6 C4 0 80 2 GTP O6 C5 C6 N1 0 80 2 GTP C4 C5 C6 N1 0 80 2 GTP N7 C5 C4 C6 0 80 2 GTP N7 C5 C4 N9 0 80 2 GTP N7 C5 C4 N3 0 80 2 GTP C6 C5 C4 N9 0 80 2 GTP C6 C5 C4 N3 0 80 2 GTP N9 C5 C4 N3 0 80 2 GTP O6 C6 N1 C5 0 80 2 GTP O6 C6 N1 H1 0 80 2 GTP O6 C6 N1 C2 0 80 2 GTP C5 C6 N1 H1 0 80 2 GTP C5 C6 N1 C2 0 80 2 GTP H1 C6 N1 C2 0 80 2 GTP C8 N9 C4 C5 0 80 2 GTP C8 N9 C4 C1' 0 80 2 GTP C8 N9 C4 N3 0 80 2 GTP C5 N9 C4 C1' 0 80 2 GTP C5 N9 C4 N3 0 80 2 GTP C1' N9 C4 N3 0 80 2 GTP C5 C4 N3 N9 0 80 2 GTP C5 C4 N3 C2 0 80 2 GTP N9 C4 N3 C2 0 80 2 GTP C6 N1 C2 H1 0 80 2 GTP C6 N1 C2 N3 0 80 2 GTP C6 N1 C2 N2 0 80 2 GTP H1 N1 C2 N3 0 80 2 GTP H1 N1 C2 N2 0 80 2 GTP N3 N1 C2 N2 0 80 2 GTP C4 N3 C2 N1 0 80 2 GTP C4 N3 C2 N2 0 80 2 GTP N1 N3 C2 N2 0 80 2 #GTP.fa.params NAME GTP IO_STRING GTP Z TYPE LIGAND AA UNK ATOM C5' CH2 X 0.08 ATOM O5' OH X -0.32 ATOM PA Phos X 0.22 ATOM O1A OOC X -0.52 ATOM O3A OH X -0.27 ATOM PB Phos X 0.23 ATOM O1B OOC X -0.52 ATOM O3B OH X -0.23 ATOM PG Phos X 0.54 ATOM O1G OOC X -0.22 ATOM O2G OOC X -0.11 ATOM O3G OOC X -0.11 ATOM O2B OOC X -0.44 ATOM O2A OOC X -0.44 ATOM C4' CH1 X 0.11 ATOM O4' OH X -0.35 ATOM C1' CH1 X 0.17 ATOM N9 Npro X -0.29 ATOM C8 aroC X 0.10 ATOM N7 Nhis X -0.23 ATOM C5 aroC X 0.17 ATOM C6 aroC X 0.28 ATOM O6 ONH2 X -0.27 ATOM N1 Ntrp X -0.29 ATOM C2 aroC X 0.20 ATOM N3 Nhis X -0.20 ATOM C4 aroC X 0.17 ATOM N2 NH2O X -0.33 ATOM H21 Hpol X 0.15 ATOM H22 Hpol X 0.15 ATOM H1 Hpol X 0.17 ATOM H8 Haro X 0.10 ATOM C2' CH1 X 0.13 ATOM C3' CH1 X 0.11 ATOM O3' OH X -0.39 ATOM HO3' Hpol X 0.21 ATOM H3' Hapo X 0.06 ATOM O2' OH X -0.38 ATOM HO2' Hpol X 0.21 ATOM H2' Hapo X 0.07 ATOM H1' Hapo X 0.09 ATOM H4' Hapo X 0.06 ATOM H5'' Hapo X 0.06 ATOM H5' Hapo X 0.06 BOND_TYPE O1G PG 2 BOND_TYPE O2G PG 1 BOND_TYPE PG O3G 1 BOND_TYPE PG O3B 1 BOND_TYPE O1B PB 2 BOND_TYPE O3B PB 1 BOND_TYPE PB O3A 1 BOND_TYPE PB O2B 1 BOND_TYPE O1A PA 2 BOND_TYPE O3A PA 1 BOND_TYPE PA O5' 1 BOND_TYPE PA O2A 1 BOND_TYPE H8 C8 1 BOND_TYPE H5'' C5' 1 BOND_TYPE O5' C5' 1 BOND_TYPE N7 C8 4 BOND_TYPE N7 C5 4 BOND_TYPE H5' C5' 1 BOND_TYPE C5' C4' 1 BOND_TYPE C8 N9 4 BOND_TYPE H2' C2' 1 BOND_TYPE O6 C6 2 BOND_TYPE C5 C6 4 BOND_TYPE C5 C4 4 BOND_TYPE C6 N1 4 BOND_TYPE N9 C4 4 BOND_TYPE N9 C1' 1 BOND_TYPE C4' O4' 1 BOND_TYPE C4' C3' 1 BOND_TYPE C4' H4' 1 BOND_TYPE H3' C3' 1 BOND_TYPE C2' C3' 1 BOND_TYPE C2' C1' 1 BOND_TYPE C2' O2' 1 BOND_TYPE O4' C1' 1 BOND_TYPE C3' O3' 1 BOND_TYPE C4 N3 4 BOND_TYPE C1' H1' 1 BOND_TYPE HO2' O2' 1 BOND_TYPE N1 H1 1 BOND_TYPE N1 C2 4 BOND_TYPE O3' HO3' 1 BOND_TYPE N3 C2 4 BOND_TYPE C2 N2 1 BOND_TYPE N2 H21 1 BOND_TYPE N2 H22 1 CHI 1 C1' C2' O2' HO2' PROTON_CHI 1 SAMPLES 3 60 -60 180 EXTRA 1 20 CHI 2 C2' C3' O3' HO3' PROTON_CHI 2 SAMPLES 3 60 -60 180 EXTRA 1 20 CHI 3 PB O3B PG O1G CHI 4 O3A PB O3B PG CHI 5 PA O3A PB O1B CHI 6 O5' PA O3A PB CHI 7 C5' O5' PA O1A CHI 8 C4' C5' O5' PA CHI 9 O5' C5' C4' O4' CHI 10 O4' C1' N9 C8 NBR_ATOM C5' NBR_RADIUS 11.258159 ICOOR_INTERNAL C5' 0.000000 0.000000 0.000000 C5' O5' PA ICOOR_INTERNAL O5' 0.000000 180.000000 1.402628 C5' O5' PA ICOOR_INTERNAL PA 0.000000 58.227144 1.690545 O5' C5' PA ICOOR_INTERNAL O1A -36.128252 70.830244 1.478974 PA O5' C5' ICOOR_INTERNAL O3A -112.713878 82.282060 1.678989 PA O5' O1A ICOOR_INTERNAL PB -146.261720 45.377158 1.676041 O3A PA O5' ICOOR_INTERNAL O1B -67.673919 70.753227 1.477095 PB O3A PA ICOOR_INTERNAL O3B -113.045762 77.837696 1.681754 PB O3A O1B ICOOR_INTERNAL PG 56.550890 41.749474 1.612518 O3B PB O3A ICOOR_INTERNAL O1G 32.288098 75.122194 1.513866 PG O3B PB ICOOR_INTERNAL O2G 119.908447 75.196963 1.513388 PG O3B O1G ICOOR_INTERNAL O3G 119.589882 73.511565 1.515685 PG O3B O2G ICOOR_INTERNAL O2B -114.212294 71.996168 1.479371 PB O3A O3B ICOOR_INTERNAL O2A -113.905292 71.393984 1.479549 PA O5' O3A ICOOR_INTERNAL C4' -101.331128 69.456007 1.528341 C5' O5' PA ICOOR_INTERNAL O4' 65.298661 71.210746 1.428548 C4' C5' O5' ICOOR_INTERNAL C1' 116.044642 69.409589 1.390208 O4' C4' C5' ICOOR_INTERNAL N9 -140.026774 72.100852 1.488305 C1' O4' C4' ICOOR_INTERNAL C8 47.225048 50.746506 1.374453 N9 C1' O4' ICOOR_INTERNAL N7 -177.892147 65.560013 1.303007 C8 N9 C1' ICOOR_INTERNAL C5 -0.119134 76.185186 1.390592 N7 C8 N9 ICOOR_INTERNAL C6 178.634199 49.647169 1.431764 C5 N7 C8 ICOOR_INTERNAL O6 -0.817527 51.469682 1.227009 C6 C5 N7 ICOOR_INTERNAL N1 179.975624 67.778877 1.396831 C6 C5 O6 ICOOR_INTERNAL C2 -0.122288 55.528238 1.387494 N1 C6 C5 ICOOR_INTERNAL N3 0.916553 56.631667 1.319062 C2 N1 C6 ICOOR_INTERNAL C4 -0.443137 66.170127 1.368010 N3 C2 N1 ICOOR_INTERNAL N2 -179.900820 63.353198 1.337489 C2 N1 N3 ICOOR_INTERNAL H21 -0.774223 53.008667 1.009628 N2 C2 N1 ICOOR_INTERNAL H22 -178.687408 63.489217 1.010025 N2 C2 H21 ICOOR_INTERNAL H1 -179.867612 61.854021 0.999930 N1 C6 C2 ICOOR_INTERNAL H8 179.914750 60.449348 1.080109 C8 N9 N7 ICOOR_INTERNAL C2' 118.996593 73.591522 1.520359 C1' O4' N9 ICOOR_INTERNAL C3' 35.718293 79.535644 1.521751 C2' C1' O4' ICOOR_INTERNAL O3' 81.067637 66.459972 1.416723 C3' C2' C1' ICOOR_INTERNAL HO3' 66.828894 65.020442 0.959784 O3' C3' C2' ICOOR_INTERNAL H3' 91.512556 93.052337 1.089517 C3' C2' O3' ICOOR_INTERNAL O2' 120.324679 66.575821 1.409056 C2' C1' C3' ICOOR_INTERNAL HO2' 66.796243 73.014853 0.959966 O2' C2' C1' ICOOR_INTERNAL H2' 125.027506 67.326162 1.090157 C2' C1' O2' ICOOR_INTERNAL H1' 128.343824 69.554270 1.089986 C1' O4' C2' ICOOR_INTERNAL H4' -116.238099 65.936615 1.090384 C4' C5' O4' ICOOR_INTERNAL H5'' 119.411114 71.996023 1.090000 C5' O5' C4' ICOOR_INTERNAL H5' 119.651717 69.559894 1.090128 C5' O5' H5'' #GTP.cen.params NAME GTP IO_STRING GTP Z TYPE LIGAND AA UNK ATOM C5' CAbb X 0.08 ATOM O5' OCbb X -0.32 ATOM PA CAbb X 0.22 ATOM O1A OCbb X -0.52 ATOM O3A OCbb X -0.27 ATOM PB CAbb X 0.23 ATOM O1B OCbb X -0.52 ATOM O3B OCbb X -0.23 ATOM PG CAbb X 0.54 ATOM O1G OCbb X -0.22 ATOM O2G OCbb X -0.11 ATOM O3G OCbb X -0.11 ATOM O2B OCbb X -0.44 ATOM O2A OCbb X -0.44 ATOM C4' CAbb X 0.11 ATOM O4' OCbb X -0.35 ATOM C1' CAbb X 0.17 ATOM N9 Nbb X -0.29 ATOM C8 CAbb X 0.10 ATOM N7 OCbb X -0.23 ATOM C5 CAbb X 0.17 ATOM C6 CAbb X 0.28 ATOM O6 OCbb X -0.27 ATOM N1 Nbb X -0.29 ATOM C2 CAbb X 0.20 ATOM N3 OCbb X -0.20 ATOM C4 CAbb X 0.17 ATOM N2 Nbb X -0.33 ATOM H21 HNbb X 0.15 ATOM H22 HNbb X 0.15 ATOM H1 HNbb X 0.17 ATOM C2' CAbb X 0.13 ATOM C3' CAbb X 0.11 ATOM O3' OCbb X -0.39 ATOM HO3' HNbb X 0.21 ATOM O2' OCbb X -0.38 ATOM HO2' HNbb X 0.21 BOND_TYPE O1G PG 2 BOND_TYPE O2G PG 1 BOND_TYPE PG O3G 1 BOND_TYPE PG O3B 1 BOND_TYPE O1B PB 2 BOND_TYPE O3B PB 1 BOND_TYPE PB O3A 1 BOND_TYPE PB O2B 1 BOND_TYPE O1A PA 2 BOND_TYPE O3A PA 1 BOND_TYPE PA O5' 1 BOND_TYPE PA O2A 1 BOND_TYPE O5' C5' 1 BOND_TYPE N7 C8 4 BOND_TYPE N7 C5 4 BOND_TYPE C5' C4' 1 BOND_TYPE C8 N9 4 BOND_TYPE O6 C6 2 BOND_TYPE C5 C6 4 BOND_TYPE C5 C4 4 BOND_TYPE C6 N1 4 BOND_TYPE N9 C4 4 BOND_TYPE N9 C1' 1 BOND_TYPE C4' O4' 1 BOND_TYPE C4' C3' 1 BOND_TYPE C2' C3' 1 BOND_TYPE C2' C1' 1 BOND_TYPE C2' O2' 1 BOND_TYPE O4' C1' 1 BOND_TYPE C3' O3' 1 BOND_TYPE C4 N3 4 BOND_TYPE HO2' O2' 1 BOND_TYPE N1 H1 1 BOND_TYPE N1 C2 4 BOND_TYPE O3' HO3' 1 BOND_TYPE N3 C2 4 BOND_TYPE C2 N2 1 BOND_TYPE N2 H21 1 BOND_TYPE N2 H22 1 CHI 1 C1' C2' O2' HO2' PROTON_CHI 1 SAMPLES 3 60 -60 180 EXTRA 1 20 CHI 2 C2' C3' O3' HO3' PROTON_CHI 2 SAMPLES 3 60 -60 180 EXTRA 1 20 CHI 3 PB O3B PG O1G CHI 4 O3A PB O3B PG CHI 5 PA O3A PB O1B CHI 6 O5' PA O3A PB CHI 7 C5' O5' PA O1A CHI 8 C4' C5' O5' PA CHI 9 O5' C5' C4' O4' CHI 10 O4' C1' N9 C8 NBR_ATOM C5' NBR_RADIUS 11.258159 ICOOR_INTERNAL C5' 0.000000 0.000000 0.000000 C5' O5' PA ICOOR_INTERNAL O5' 0.000000 180.000000 1.402628 C5' O5' PA ICOOR_INTERNAL PA 0.000000 58.227144 1.690545 O5' C5' PA ICOOR_INTERNAL O1A -36.128252 70.830244 1.478974 PA O5' C5' ICOOR_INTERNAL O3A -112.713878 82.282060 1.678989 PA O5' O1A ICOOR_INTERNAL PB -146.261720 45.377158 1.676041 O3A PA O5' ICOOR_INTERNAL O1B -67.673919 70.753227 1.477095 PB O3A PA ICOOR_INTERNAL O3B -113.045762 77.837696 1.681754 PB O3A O1B ICOOR_INTERNAL PG 56.550890 41.749474 1.612518 O3B PB O3A ICOOR_INTERNAL O1G 32.288098 75.122194 1.513866 PG O3B PB ICOOR_INTERNAL O2G 119.908447 75.196963 1.513388 PG O3B O1G ICOOR_INTERNAL O3G 119.589882 73.511565 1.515685 PG O3B O2G ICOOR_INTERNAL O2B -114.212294 71.996168 1.479371 PB O3A O3B ICOOR_INTERNAL O2A -113.905292 71.393984 1.479549 PA O5' O3A ICOOR_INTERNAL C4' -101.331128 69.456007 1.528341 C5' O5' PA ICOOR_INTERNAL O4' 65.298661 71.210746 1.428548 C4' C5' O5' ICOOR_INTERNAL C1' 116.044642 69.409589 1.390208 O4' C4' C5' ICOOR_INTERNAL N9 -140.026774 72.100852 1.488305 C1' O4' C4' ICOOR_INTERNAL C8 47.225048 50.746506 1.374453 N9 C1' O4' ICOOR_INTERNAL N7 -177.892147 65.560013 1.303007 C8 N9 C1' ICOOR_INTERNAL C5 -0.119134 76.185186 1.390592 N7 C8 N9 ICOOR_INTERNAL C6 178.634199 49.647169 1.431764 C5 N7 C8 ICOOR_INTERNAL O6 -0.817527 51.469682 1.227009 C6 C5 N7 ICOOR_INTERNAL N1 179.975624 67.778877 1.396831 C6 C5 O6 ICOOR_INTERNAL C2 -0.122288 55.528238 1.387494 N1 C6 C5 ICOOR_INTERNAL N3 0.916553 56.631667 1.319062 C2 N1 C6 ICOOR_INTERNAL C4 -0.443137 66.170127 1.368010 N3 C2 N1 ICOOR_INTERNAL N2 -179.900820 63.353198 1.337489 C2 N1 N3 ICOOR_INTERNAL H21 -0.774223 53.008667 1.009628 N2 C2 N1 ICOOR_INTERNAL H22 -178.687408 63.489217 1.010025 N2 C2 H21 ICOOR_INTERNAL H1 -179.867612 61.854021 0.999930 N1 C6 C2 ICOOR_INTERNAL C2' 118.996593 73.591522 1.520359 C1' O4' N9 ICOOR_INTERNAL C3' 35.718293 79.535644 1.521751 C2' C1' O4' ICOOR_INTERNAL O3' 81.067637 66.459972 1.416723 C3' C2' C1' ICOOR_INTERNAL HO3' 66.828894 65.020442 0.959784 O3' C3' C2' ICOOR_INTERNAL O2' 120.324679 66.575821 1.409056 C2' C1' C3' ICOOR_INTERNAL HO2' 66.796243 73.014853 0.959966 O2' C2' C1'