NAME OCT IO_STRING OCT X TYPE POLYMER AA UNK ROTAMER_AA SER ATOM N Nbb NH1 -0.60 ATOM CA CAbb CT1 -0.08 ATOM C CObb C 0.63 ATOM O OCbb O -0.54 ATOM CB CH2 CT2 -0.17 ATOM OG OH OS -0.65 ATOM PD Phos P 1.51 ATOM OE1 OOC X -0.75 ATOM OE2 OOC X -0.75 ATOM OE3 OH X -0.65 ATOM CZ CH2 CT2 -0.17 ATOM CT CH1 OS -0.08 ATOM CI1 CH3 CT3 -0.26 ATOM CI2 CH3 CT3 -0.26 ATOM CI3 CH1 CT1 -0.08 ATOM OK1 OH OH1 -0.65 ATOM CK2 COO C 0.63 ATOM OL1 ONH2 O -0.54 ATOM NL2 Ntrp NH1 -0.60 ATOM CM CH2 CT2 -0.17 ATOM CN CH2 CT2 -0.17 ATOM CX COO C 0.63 ATOM OO1 ONH2 O -0.54 ATOM NO2 Ntrp NH1 -0.60 ATOM CR CH2 CT2 -0.17 ATOM SS S S -0.15 ATOM CU COO C 0.63 ATOM OP1 OOC O -0.75 ATOM CP2 CH2 CT2 -0.17 ATOM CP3 CH2 CT2 -0.17 ATOM CC CH2 CT2 -0.17 ATOM CW1 CH3 CT3 -0.26 ATOM CW2 CH2 CT2 -0.17 ATOM CW3 CH2 CT2 -0.17 ATOM CW4 CH2 CT2 -0.17 ATOM CW5 CH2 CT2 -0.17 ATOM HA Hapo HB 0.11 ATOM H HNbb H 0.44 ATOM 1HB Hapo HA 0.11 ATOM 2HB Hapo HA 0.11 ATOM 1HZ Hapo HA 0.11 ATOM 2HZ Hapo HA 0.11 ATOM 1HI1 Hapo HA 0.11 ATOM 2HI1 Hapo HA 0.11 ATOM 3HI1 Hapo HA 0.11 ATOM 1HI2 Hapo HA 0.11 ATOM 2HI2 Hapo HA 0.11 ATOM 3HI2 Hapo HA 0.11 ATOM 1HI3 Hapo HA 0.11 ATOM 1HK1 Hpol H 0.44 ATOM 1HL2 Hpol H 0.44 ATOM 1HM Hapo HA 0.11 ATOM 2HM Hapo HA 0.11 ATOM 1HN Hapo HA 0.11 ATOM 2HN Hapo HA 0.11 ATOM 1HO2 Hpol H 0.44 ATOM 1HR Hapo HA 0.11 ATOM 2HR Hapo HA 0.11 ATOM 1HP2 Hapo HA 0.11 ATOM 2HP2 Hapo HA 0.11 ATOM 1HP3 Hapo HA 0.11 ATOM 2HP3 Hapo HA 0.11 ATOM 1HC Hapo HA 0.11 ATOM 2HC Hapo HA 0.11 ATOM 1HW2 Hapo HA 0.11 ATOM 2HW2 Hapo HA 0.11 ATOM 1HW3 Hapo HA 0.11 ATOM 2HW3 Hapo HA 0.11 ATOM 1HW4 Hapo HA 0.11 ATOM 2HW4 Hapo HA 0.11 ATOM CW6 CH3 CT3 -0.26 ATOM 1HW5 Hapo HA 0.11 ATOM 2HW5 Hapo HA 0.11 ATOM 1HW6 Hapo HA 0.11 ATOM 2HW6 Hapo HA 0.11 ATOM 3HW6 Hapo HA 0.11 BOND N H BOND CA HA BOND CA N BOND C CA BOND O C BOND CB 1HB BOND CB CA BOND OG CB BOND PD OE1 BOND PD OE3 BOND PD OE2 BOND PD OG BOND CU SS BOND OP1 CU BOND SS CR BOND CP2 1HP2 BOND CP2 CU BOND CP2 CC BOND CC 1HC BOND CW2 1HW2 BOND CW2 2HW2 BOND CW2 CC BOND CW3 CW2 BOND CW4 CW3 BOND CW4 CW5 BOND CW5 1HW5 BOND CW5 2HW5 BOND OE3 CZ BOND CZ 1HZ BOND CZ 2HZ BOND CT CZ BOND CT CI1 BOND CI1 1HI1 BOND CI1 2HI1 BOND CI2 1HI2 BOND CI2 CT BOND CI3 1HI3 BOND CI3 CT BOND CI3 OK1 BOND OK1 1HK1 BOND CK2 CI3 BOND CK2 NL2 BOND OL1 CK2 BOND NL2 1HL2 BOND CM NL2 BOND CM 1HM BOND CM CN BOND CN 1HN BOND CX CN BOND CX OO1 BOND NO2 CX BOND CP3 NO2 BOND CP3 CR BOND CR 1HR BOND CR 2HR BOND CB 2HB BOND CW4 1HW4 BOND CW4 2HW4 BOND CW3 1HW3 BOND CW3 2HW3 BOND CP2 2HP2 BOND CP3 1HP3 BOND CP3 2HP3 BOND CN 2HN BOND CI2 2HI2 BOND CI2 3HI2 BOND CI1 3HI1 BOND CM 2HM BOND NO2 1HO2 BOND CW6 CW5 BOND CW6 1HW6 BOND CW6 2HW6 BOND CW6 3HW6 BOND CC 2HC LOWER_CONNECT N UPPER_CONNECT C CHI 1 N CA CB OG CHI 2 CA CB OG PD CHI 3 OG PD OE3 CZ CHI 4 CB OG PD OE1 CHI 5 CR SS CU OP1 CHI 6 CP3 CR SS CU CHI 7 SS CU CP2 CC CHI 8 CU CP2 CC CW2 CHI 9 CP2 CC CW2 CW3 CHI 10 CC CW2 CW3 CW4 CHI 11 CW2 CW3 CW4 CW5 CHI 12 CW3 CW4 CW5 CW6 CHI 13 PD OE3 CZ CT CHI 14 OE3 CZ CT CI1 CHI 15 CZ CT CI3 OK1 CHI 16 CT CI3 CK2 NL2 CHI 17 CI3 CK2 NL2 CM CHI 18 CK2 NL2 CM CN CHI 19 NL2 CM CN CX CHI 20 CM CN CX OO1 CHI 21 CN CX NO2 CP3 CHI 22 CX NO2 CP3 CR CHI 23 NO2 CP3 CR SS CHI 24 CT CI3 OK1 1HK1 PROTON_CHI 24 SAMPLES 3 60 -60 180 EXTRA 1 20 NBR_ATOM CB NBR_RADIUS 36.231946 FIRST_SIDECHAIN_ATOM CB PROPERTIES PROTEIN POLAR CHARGED ICOOR_INTERNAL N 0.000000 0.000000 0.000000 N CA C ICOOR_INTERNAL CA 0.000000 180.000000 1.456257 N CA C ICOOR_INTERNAL C 0.000000 63.714227 1.538478 CA N C ICOOR_INTERNAL LOWER -52.886364 61.073164 1.328028 N CA C ICOOR_INTERNAL CW1 0.000000 62.234352 1.546709 LOWER N CW1 ICOOR_INTERNAL UPPER -51.376313 61.585755 1.325784 C CA N ICOOR_INTERNAL O 128.787204 60.201127 1.237436 C CA N ICOOR_INTERNAL CB -124.524556 69.458306 1.506142 CA N C ICOOR_INTERNAL OG -63.884803 63.485639 1.424289 CB CA N ICOOR_INTERNAL PD -93.378297 43.253968 1.547115 OG CB CA ICOOR_INTERNAL OE1 -51.908347 71.805989 1.544526 PD OG CB ICOOR_INTERNAL OE3 119.663045 66.862556 1.545423 PD OG OE1 ICOOR_INTERNAL CZ 61.727911 52.299706 1.423022 OE3 PD OG ICOOR_INTERNAL CT 174.336710 69.427316 1.546832 CZ OE3 PD ICOOR_INTERNAL CI1 -158.455284 72.798971 1.534635 CT CZ OE3 ICOOR_INTERNAL 1HI1 58.448177 70.526584 1.069941 CI1 CT CZ ICOOR_INTERNAL 2HI1 -120.034460 70.509498 1.069917 CI1 CT 1HI1 ICOOR_INTERNAL 3HI1 -120.017272 70.512387 1.070114 CI1 CT 2HI1 ICOOR_INTERNAL CI2 117.496872 71.388257 1.538275 CT CZ CI1 ICOOR_INTERNAL 1HI2 -57.099214 70.538220 1.070172 CI2 CT CZ ICOOR_INTERNAL 2HI2 -120.021431 70.551544 1.070319 CI2 CT 1HI2 ICOOR_INTERNAL 3HI2 -119.992868 70.547157 1.069999 CI2 CT 2HI2 ICOOR_INTERNAL CI3 122.141404 68.252264 1.553002 CT CZ CI2 ICOOR_INTERNAL OK1 60.982755 71.127685 1.430542 CI3 CT CZ ICOOR_INTERNAL 1HK1 -60.571838 70.548148 0.970206 OK1 CI3 CT ICOOR_INTERNAL CK2 119.595419 70.771240 1.544218 CI3 CT OK1 ICOOR_INTERNAL NL2 -117.514983 62.625980 1.337013 CK2 CI3 CT ICOOR_INTERNAL CM 179.578725 56.504596 1.465983 NL2 CK2 CI3 ICOOR_INTERNAL CN 170.294373 64.108066 1.537603 CM NL2 CK2 ICOOR_INTERNAL CX -62.549111 64.783944 1.521469 CN CM NL2 ICOOR_INTERNAL OO1 85.970863 59.157983 1.227261 CX CN CM ICOOR_INTERNAL NO2 179.785218 65.906998 1.338072 CX CN OO1 ICOOR_INTERNAL CP3 -179.823542 51.267411 1.473297 NO2 CX CN ICOOR_INTERNAL CR 84.627287 68.422483 1.531886 CP3 NO2 CX ICOOR_INTERNAL SS 175.838128 60.454975 1.842832 CR CP3 NO2 ICOOR_INTERNAL CU -63.931596 77.708926 1.802393 SS CR CP3 ICOOR_INTERNAL OP1 -0.550838 60.270755 1.209831 CU SS CR ICOOR_INTERNAL CP2 -179.913360 59.771535 1.525120 CU SS OP1 ICOOR_INTERNAL CC 100.721354 66.602425 1.531259 CP2 CU SS ICOOR_INTERNAL CW2 173.220770 68.598433 1.540058 CC CP2 CU ICOOR_INTERNAL CW3 -39.765933 66.720433 1.538221 CW2 CC CP2 ICOOR_INTERNAL CW4 177.626821 67.214039 1.530295 CW3 CW2 CC ICOOR_INTERNAL CW5 -39.873878 67.928252 1.515865 CW4 CW3 CW2 ICOOR_INTERNAL CW6 152.026556 69.318379 1.546620 CW5 CW4 CW3 ICOOR_INTERNAL 1HW6 -167.832253 70.547541 1.069969 CW6 CW5 CW4 ICOOR_INTERNAL 2HW6 119.984981 70.497092 1.070060 CW6 CW5 1HW6 ICOOR_INTERNAL 3HW6 119.997201 70.526836 1.069768 CW6 CW5 2HW6 ICOOR_INTERNAL 1HW5 123.096667 58.820510 1.070052 CW5 CW4 CW6 ICOOR_INTERNAL 2HW5 117.598350 65.573645 1.069975 CW5 CW4 1HW5 ICOOR_INTERNAL 1HW4 -120.410046 71.172136 1.070331 CW4 CW3 CW5 ICOOR_INTERNAL 2HW4 -120.815492 72.065712 1.069799 CW4 CW3 1HW4 ICOOR_INTERNAL 1HW3 -120.516776 71.357303 1.069933 CW3 CW2 CW4 ICOOR_INTERNAL 2HW3 -121.093402 72.458201 1.070499 CW3 CW2 1HW3 ICOOR_INTERNAL 1HW2 -120.574750 71.470432 1.070184 CW2 CC CW3 ICOOR_INTERNAL 2HW2 -121.285498 72.786105 1.069887 CW2 CC 1HW2 ICOOR_INTERNAL 1HC 119.064460 71.637978 1.070278 CC CP2 CW2 ICOOR_INTERNAL 2HC 120.644501 71.030127 1.070124 CC CP2 1HC ICOOR_INTERNAL 1HP2 -120.574148 71.536452 1.069620 CP2 CU CC ICOOR_INTERNAL 2HP2 -121.361231 72.825075 1.069822 CP2 CU 1HP2 ICOOR_INTERNAL 1HR -114.459859 76.424964 1.070280 CR CP3 SS ICOOR_INTERNAL 2HR -124.139113 73.089069 1.069914 CR CP3 1HR ICOOR_INTERNAL 1HP3 -120.294169 71.035067 1.069997 CP3 NO2 CR ICOOR_INTERNAL 2HP3 -120.716560 71.775902 1.069795 CP3 NO2 1HP3 ICOOR_INTERNAL 1HO2 -179.992687 64.353272 0.984491 NO2 CX CP3 ICOOR_INTERNAL 1HN 117.056285 73.930667 1.069975 CN CM CX ICOOR_INTERNAL 2HN 122.092533 71.984327 1.070571 CN CM 1HN ICOOR_INTERNAL 1HM 116.697387 74.286569 1.069937 CM NL2 CN ICOOR_INTERNAL 2HM 122.335922 72.168246 1.069878 CM NL2 1HM ICOOR_INTERNAL 1HL2 -179.994806 61.766486 0.984380 NL2 CK2 CM ICOOR_INTERNAL OL1 -179.708480 59.661577 1.234883 CK2 CI3 NL2 ICOOR_INTERNAL 1HI3 120.107454 69.933822 1.070258 CI3 CT CK2 ICOOR_INTERNAL 1HZ -120.193228 70.802578 1.070010 CZ OE3 CT ICOOR_INTERNAL 2HZ -120.330153 71.179672 1.069837 CZ OE3 1HZ ICOOR_INTERNAL OE2 121.471406 71.385271 1.537559 PD OG OE3 ICOOR_INTERNAL 1HB 116.310719 74.671030 1.069636 CB CA OG ICOOR_INTERNAL 2HB 122.664812 72.322057 1.070667 CB CA 1HB ICOOR_INTERNAL HA -120.096802 76.408179 1.069521 CA N CB ICOOR_INTERNAL H -179.978252 59.481533 0.984729 N LOWER CA ~