NAME FAT IO_STRING FAT Z TYPE LIGAND AA UNK ATOM C3 CH2 X -0.15 ATOM C2 CH1 X -0.06 ATOM C1 CH2 X -0.15 ATOM O11 OH X -0.63 ATOM P Phos X 1.53 ATOM O12 OH X -0.63 ATOM C11 CH2 X -0.15 ATOM C12 CH2 X -0.15 ATOM N Npro X -0.34 ATOM C13 CH3 X -0.24 ATOM H13A Hapo X 0.13 ATOM H13B Hapo X 0.13 ATOM H13C Hapo X 0.13 ATOM C14 CH3 X -0.24 ATOM H14A Hapo X 0.13 ATOM H14B Hapo X 0.13 ATOM H14C Hapo X 0.13 ATOM C15 CH3 X -0.24 ATOM H15A Hapo X 0.13 ATOM H15B Hapo X 0.13 ATOM H15C Hapo X 0.13 ATOM H12A Hapo X 0.13 ATOM H12B Hapo X 0.13 ATOM H11A Hapo X 0.13 ATOM H11B Hapo X 0.13 ATOM O13 OOC X -0.73 ATOM O14 OOC X -0.73 ATOM HA Hapo X 0.13 ATOM HB Hapo X 0.13 ATOM O21 OH X -0.63 ATOM C21 CH1 X -0.06 ATOM C22 CH2 X -0.15 ATOM C23 CH2 X -0.15 ATOM C24 CH2 X -0.15 ATOM C25 CH2 X -0.15 ATOM C26 CH2 X -0.15 ATOM C27 CH2 X -0.15 ATOM C28 CH2 X -0.15 ATOM C29 CH2 X -0.15 ATOM C210 CH2 X -0.15 ATOM C211 CH2 X -0.15 ATOM C212 CH2 X -0.15 ATOM C213 CH2 X -0.15 ATOM C214 CH2 X -0.15 ATOM C215 CH2 X -0.15 ATOM C216 CH3 X -0.24 ATOM H16R Hapo X 0.13 ATOM H16S Hapo X 0.13 ATOM H16T Hapo X 0.13 ATOM H15R Hapo X 0.13 ATOM H15S Hapo X 0.13 ATOM H14R Hapo X 0.13 ATOM H14S Hapo X 0.13 ATOM H13R Hapo X 0.13 ATOM H13S Hapo X 0.13 ATOM H12R Hapo X 0.13 ATOM H12S Hapo X 0.13 ATOM H11R Hapo X 0.13 ATOM H11S Hapo X 0.13 ATOM H10R Hapo X 0.13 ATOM H10S Hapo X 0.13 ATOM H9R Hapo X 0.13 ATOM H9S Hapo X 0.13 ATOM H8R Hapo X 0.13 ATOM H8S Hapo X 0.13 ATOM H7R Hapo X 0.13 ATOM H7S Hapo X 0.13 ATOM H6R Hapo X 0.13 ATOM H6S Hapo X 0.13 ATOM H5R Hapo X 0.13 ATOM H5S Hapo X 0.13 ATOM H4R Hapo X 0.13 ATOM H4S Hapo X 0.13 ATOM H3R Hapo X 0.13 ATOM H3S Hapo X 0.13 ATOM H2R Hapo X 0.13 ATOM H2S Hapo X 0.13 ATOM O22 OOC X -0.73 ATOM HS Hapo X 0.13 ATOM O31 OH X -0.63 ATOM C31 CH1 X -0.06 ATOM C32 CH2 X -0.15 ATOM C33 CH2 X -0.15 ATOM C34 CH2 X -0.15 ATOM C35 CH2 X -0.15 ATOM C36 CH2 X -0.15 ATOM C37 CH2 X -0.15 ATOM C38 CH2 X -0.15 ATOM C39 CH2 X -0.15 ATOM C310 CH2 X -0.15 ATOM C311 CH2 X -0.15 ATOM C312 CH2 X -0.15 ATOM C313 CH2 X -0.15 ATOM C314 CH2 X -0.15 ATOM C315 CH2 X -0.15 ATOM C316 CH3 X -0.24 ATOM H16X Hapo X 0.13 ATOM H16Y Hapo X 0.13 ATOM H16Z Hapo X 0.13 ATOM H15X Hapo X 0.13 ATOM H15Y Hapo X 0.13 ATOM H14X Hapo X 0.13 ATOM H14Y Hapo X 0.13 ATOM H13X Hapo X 0.13 ATOM H13Y Hapo X 0.13 ATOM H12X Hapo X 0.13 ATOM H12Y Hapo X 0.13 ATOM H11X Hapo X 0.13 ATOM H11Y Hapo X 0.13 ATOM H10X Hapo X 0.13 ATOM H10Y Hapo X 0.13 ATOM H9X Hapo X 0.13 ATOM H9Y Hapo X 0.13 ATOM H8X Hapo X 0.13 ATOM H8Y Hapo X 0.13 ATOM H7X Hapo X 0.13 ATOM H7Y Hapo X 0.13 ATOM H6X Hapo X 0.13 ATOM H6Y Hapo X 0.13 ATOM H5X Hapo X 0.13 ATOM H5Y Hapo X 0.13 ATOM H4X Hapo X 0.13 ATOM H4Y Hapo X 0.13 ATOM H3X Hapo X 0.13 ATOM H3Y Hapo X 0.13 ATOM H2X Hapo X 0.13 ATOM H2Y Hapo X 0.13 ATOM O32 OOC X -0.73 ATOM HY Hapo X 0.13 ATOM HX Hapo X 0.13 BOND N C12 BOND N C13 BOND N C14 BOND N C15 BOND P O11 BOND P O12 BOND P O13 BOND P O14 BOND C1 C2 BOND C1 O11 BOND C1 HA BOND C1 HB BOND C2 C3 BOND C2 O21 BOND C2 HS BOND C3 O31 BOND C3 HY BOND C3 HX BOND C11 C12 BOND C11 O12 BOND C11 H11A BOND C11 H11B BOND C12 H12A BOND C12 H12B BOND C13 H13A BOND C13 H13B BOND C13 H13C BOND C14 H14A BOND C14 H14B BOND C14 H14C BOND C15 H15A BOND C15 H15B BOND C15 H15C BOND C21 O21 BOND C21 C22 BOND C21 O22 BOND C22 C23 BOND C22 H2R BOND C22 H2S BOND C23 C24 BOND C23 H3R BOND C23 H3S BOND C24 C25 BOND C24 H4R BOND C24 H4S BOND C25 C26 BOND C25 H5R BOND C25 H5S BOND C26 C27 BOND C26 H6R BOND C26 H6S BOND C27 C28 BOND C27 H7R BOND C27 H7S BOND C28 C29 BOND C28 H8R BOND C28 H8S BOND C29 C210 BOND C29 H9R BOND C29 H9S BOND C31 O31 BOND C31 C32 BOND C31 O32 BOND C32 C33 BOND C32 H2X BOND C32 H2Y BOND C33 C34 BOND C33 H3X BOND C33 H3Y BOND C34 C35 BOND C34 H4X BOND C34 H4Y BOND C35 C36 BOND C35 H5X BOND C35 H5Y BOND C36 C37 BOND C36 H6X BOND C36 H6Y BOND C37 C38 BOND C37 H7X BOND C37 H7Y BOND C38 C39 BOND C38 H8X BOND C38 H8Y BOND C39 C310 BOND C39 H9X BOND C39 H9Y BOND C210 C211 BOND C210 H10R BOND C210 H10S BOND C211 C212 BOND C211 H11R BOND C211 H11S BOND C212 C213 BOND C212 H12R BOND C212 H12S BOND C213 C214 BOND C213 H13R BOND C213 H13S BOND C214 C215 BOND C214 H14R BOND C214 H14S BOND C215 C216 BOND C215 H15R BOND C215 H15S BOND C216 H16R BOND C216 H16S BOND C216 H16T BOND C310 C311 BOND C310 H10X BOND C310 H10Y BOND C311 C312 BOND C311 H11X BOND C311 H11Y BOND C312 C313 BOND C312 H12X BOND C312 H12Y BOND C313 C314 BOND C313 H13X BOND C313 H13Y BOND C314 C315 BOND C314 H14X BOND C314 H14Y BOND C315 C316 BOND C315 H15X BOND C315 H15Y BOND C316 H16X BOND C316 H16Y BOND C316 H16Z CHI 1 C11 C12 N C13 CHI 2 C1 O11 P O12 CHI 3 O11 P O12 C11 CHI 4 C3 C2 C1 O11 CHI 5 C2 C1 O11 P CHI 6 O31 C3 C2 C1 CHI 7 C3 C2 O21 C21 CHI 8 C2 C3 O31 C31 CHI 9 O12 C11 C12 N CHI 10 P O12 C11 C12 CHI 11 C2 O21 C21 C22 CHI 12 O21 C21 C22 C23 CHI 13 C21 C22 C23 C24 CHI 14 C22 C23 C24 C25 CHI 15 C23 C24 C25 C26 CHI 16 C24 C25 C26 C27 CHI 17 C25 C26 C27 C28 CHI 18 C26 C27 C28 C29 CHI 19 C27 C28 C29 C210 CHI 20 C28 C29 C210 C211 CHI 21 C3 O31 C31 C32 CHI 22 O31 C31 C32 C33 CHI 23 C31 C32 C33 C34 CHI 24 C32 C33 C34 C35 CHI 25 C33 C34 C35 C36 CHI 26 C34 C35 C36 C37 CHI 27 C35 C36 C37 C38 CHI 28 C36 C37 C38 C39 CHI 29 C37 C38 C39 C310 CHI 30 C38 C39 C310 C311 CHI 31 C29 C210 C211 C212 CHI 32 C210 C211 C212 C213 CHI 33 C211 C212 C213 C214 CHI 34 C212 C213 C214 C215 CHI 35 C213 C214 C215 C216 CHI 36 C39 C310 C311 C312 CHI 37 C310 C311 C312 C313 CHI 38 C311 C312 C313 C314 CHI 39 C312 C313 C314 C315 CHI 40 C313 C314 C315 C316 NBR_ATOM C3 NBR_RADIUS 27.988067 ICOOR_INTERNAL C3 0.000000 0.000000 0.000000 C3 C2 C1 ICOOR_INTERNAL C2 0.000000 180.000000 1.586419 C3 C2 C1 ICOOR_INTERNAL C1 0.000000 71.246080 1.513537 C2 C3 C1 ICOOR_INTERNAL O11 -60.486004 68.242245 1.452819 C1 C2 C3 ICOOR_INTERNAL P -105.760055 60.385574 1.664053 O11 C1 C2 ICOOR_INTERNAL O12 -82.035138 70.336879 1.650651 P O11 C1 ICOOR_INTERNAL C11 -30.581235 56.465236 1.410647 O12 P O11 ICOOR_INTERNAL C12 136.835858 72.665821 1.581841 C11 O12 P ICOOR_INTERNAL N 57.947568 57.013802 1.564696 C12 C11 O12 ICOOR_INTERNAL C13 46.483873 75.708402 1.548742 N C12 C11 ICOOR_INTERNAL H13A 47.810679 69.210884 1.080635 C13 N C12 ICOOR_INTERNAL H13B -129.620123 66.584656 1.079501 C13 N H13A ICOOR_INTERNAL H13C -106.907807 72.513121 1.080512 C13 N H13B ICOOR_INTERNAL C14 -123.106568 70.978438 1.547227 N C12 C13 ICOOR_INTERNAL H14A -71.072750 73.046883 1.079453 C14 N C12 ICOOR_INTERNAL H14B -120.127675 76.218786 1.079871 C14 N H14A ICOOR_INTERNAL H14C -120.353116 77.569221 1.080311 C14 N H14B ICOOR_INTERNAL C15 -122.067645 76.492308 1.469550 N C12 C14 ICOOR_INTERNAL H15A 178.191770 67.644272 1.079818 C15 N C12 ICOOR_INTERNAL H15B -110.396171 72.503934 1.080090 C15 N H15A ICOOR_INTERNAL H15C -124.706188 66.980503 1.080317 C15 N H15B ICOOR_INTERNAL H12A 127.714433 70.918547 1.080268 C12 C11 N ICOOR_INTERNAL H12B 112.744363 75.788587 1.079618 C12 C11 H12A ICOOR_INTERNAL H11A 118.482023 66.180201 1.111285 C11 O12 C12 ICOOR_INTERNAL H11B 118.940227 67.896289 1.110571 C11 O12 H11A ICOOR_INTERNAL O13 121.072444 74.319094 1.512590 P O11 O12 ICOOR_INTERNAL O14 122.914794 74.183013 1.446642 P O11 O13 ICOOR_INTERNAL HA 112.329482 72.074136 1.110960 C1 C2 O11 ICOOR_INTERNAL HB 118.685707 69.368846 1.110956 C1 C2 HA ICOOR_INTERNAL O21 -124.123952 68.437965 1.433780 C2 C3 C1 ICOOR_INTERNAL C21 -94.691162 56.639775 1.274286 O21 C2 C3 ICOOR_INTERNAL C22 164.930012 64.561084 1.537414 C21 O21 C2 ICOOR_INTERNAL C23 -90.135153 72.120927 1.526341 C22 C21 O21 ICOOR_INTERNAL C24 -91.927025 65.932198 1.527961 C23 C22 C21 ICOOR_INTERNAL C25 -179.361767 68.686380 1.523355 C24 C23 C22 ICOOR_INTERNAL C26 160.740002 64.292202 1.566143 C25 C24 C23 ICOOR_INTERNAL C27 76.628018 69.072969 1.510775 C26 C25 C24 ICOOR_INTERNAL C28 168.147668 63.946011 1.517096 C27 C26 C25 ICOOR_INTERNAL C29 -53.204303 59.879714 1.606104 C28 C27 C26 ICOOR_INTERNAL C210 -86.610342 65.505264 1.500105 C29 C28 C27 ICOOR_INTERNAL C211 53.728416 62.767244 1.585865 C210 C29 C28 ICOOR_INTERNAL C212 169.433437 61.938193 1.538130 C211 C210 C29 ICOOR_INTERNAL C213 70.842081 66.300857 1.505630 C212 C211 C210 ICOOR_INTERNAL C214 -176.303021 59.992557 1.535905 C213 C212 C211 ICOOR_INTERNAL C215 71.182612 70.327715 1.505411 C214 C213 C212 ICOOR_INTERNAL C216 81.744986 63.469659 1.521048 C215 C214 C213 ICOOR_INTERNAL H16R 176.783913 79.918367 1.111450 C216 C215 C214 ICOOR_INTERNAL H16S -112.343266 71.222575 1.111254 C216 C215 H16R ICOOR_INTERNAL H16T -123.447024 66.932331 1.111062 C216 C215 H16S ICOOR_INTERNAL H15R -121.297681 65.889541 1.110730 C215 C214 C216 ICOOR_INTERNAL H15S -115.732708 72.017241 1.111562 C215 C214 H15R ICOOR_INTERNAL H14R -117.764773 72.450277 1.110802 C214 C213 C215 ICOOR_INTERNAL H14S -114.370143 72.916393 1.110993 C214 C213 H14R ICOOR_INTERNAL H13R -125.035026 67.089254 1.111658 C213 C212 C214 ICOOR_INTERNAL H13S -112.378710 72.712740 1.110838 C213 C212 H13R ICOOR_INTERNAL H12R -121.985276 73.542128 1.110766 C212 C211 C213 ICOOR_INTERNAL H12S -112.909751 67.911615 1.111103 C212 C211 H12R ICOOR_INTERNAL H11R -115.396322 75.281936 1.110867 C211 C210 C212 ICOOR_INTERNAL H11S -117.807200 70.494258 1.110857 C211 C210 H11R ICOOR_INTERNAL H10R -122.158915 66.563886 1.111144 C210 C29 C211 ICOOR_INTERNAL H10S -121.124675 74.482003 1.111029 C210 C29 H10R ICOOR_INTERNAL H9R -113.714044 80.613860 1.110721 C29 C28 C210 ICOOR_INTERNAL H9S -120.091799 69.783871 1.111198 C29 C28 H9R ICOOR_INTERNAL H8R -128.538941 65.487997 1.111397 C28 C27 C29 ICOOR_INTERNAL H8S -124.489542 74.778850 1.110728 C28 C27 H8R ICOOR_INTERNAL H7R -122.232002 74.525785 1.111558 C27 C26 C28 ICOOR_INTERNAL H7S -117.149882 75.743332 1.110719 C27 C26 H7R ICOOR_INTERNAL H6R -123.684535 66.548751 1.111843 C26 C25 C27 ICOOR_INTERNAL H6S -118.613529 73.135025 1.111474 C26 C25 H6R ICOOR_INTERNAL H5R -115.329305 67.769248 1.110569 C25 C24 C26 ICOOR_INTERNAL H5S -110.069457 71.833638 1.111185 C25 C24 H5R ICOOR_INTERNAL H4R -127.164420 58.062097 1.109985 C24 C23 C25 ICOOR_INTERNAL H4S -116.913285 72.174444 1.111362 C24 C23 H4R ICOOR_INTERNAL H3R -117.925008 72.793852 1.110685 C23 C22 C24 ICOOR_INTERNAL H3S -123.246938 70.119558 1.111696 C23 C22 H3R ICOOR_INTERNAL H2R -119.912388 70.310777 1.110738 C22 C21 C23 ICOOR_INTERNAL H2S -120.613249 71.382426 1.111594 C22 C21 H2R ICOOR_INTERNAL O22 -178.308823 52.125292 1.214745 C21 O21 C22 ICOOR_INTERNAL HS -114.214007 77.445517 1.110978 C2 C3 O21 ICOOR_INTERNAL O31 63.952861 73.734480 1.419795 C3 C2 C1 ICOOR_INTERNAL C31 -151.503730 60.643016 1.294216 O31 C3 C2 ICOOR_INTERNAL C32 -175.804631 71.196954 1.545711 C31 O31 C3 ICOOR_INTERNAL C33 79.287386 60.129111 1.554968 C32 C31 O31 ICOOR_INTERNAL C34 -77.711233 68.314231 1.531115 C33 C32 C31 ICOOR_INTERNAL C35 -176.379053 65.504562 1.625258 C34 C33 C32 ICOOR_INTERNAL C36 -77.460561 73.062348 1.519973 C35 C34 C33 ICOOR_INTERNAL C37 142.786337 67.922010 1.485870 C36 C35 C34 ICOOR_INTERNAL C38 -129.329655 63.176085 1.541179 C37 C36 C35 ICOOR_INTERNAL C39 -60.949655 63.704164 1.507810 C38 C37 C36 ICOOR_INTERNAL C310 -49.763894 61.613597 1.568548 C39 C38 C37 ICOOR_INTERNAL C311 -62.274501 63.732195 1.576198 C310 C39 C38 ICOOR_INTERNAL C312 -173.452775 71.103606 1.576208 C311 C310 C39 ICOOR_INTERNAL C313 150.117323 67.743929 1.569197 C312 C311 C310 ICOOR_INTERNAL C314 -55.304070 64.372048 1.499943 C313 C312 C311 ICOOR_INTERNAL C315 -156.436260 64.590425 1.556872 C314 C313 C312 ICOOR_INTERNAL C316 66.264623 60.927699 1.458852 C315 C314 C313 ICOOR_INTERNAL H16X 131.558577 64.606386 1.111073 C316 C315 C314 ICOOR_INTERNAL H16Y -127.173707 64.487352 1.110263 C316 C315 H16X ICOOR_INTERNAL H16Z -120.700891 65.579093 1.111242 C316 C315 H16Y ICOOR_INTERNAL H15X -126.921026 78.667475 1.111376 C315 C314 C316 ICOOR_INTERNAL H15Y -112.553958 74.398248 1.110676 C315 C314 H15X ICOOR_INTERNAL H14X -126.120632 68.106468 1.110979 C314 C313 C315 ICOOR_INTERNAL H14Y -116.330250 66.516357 1.110944 C314 C313 H14X ICOOR_INTERNAL H13X -121.573936 65.622422 1.111587 C313 C312 C314 ICOOR_INTERNAL H13Y -118.453281 72.746357 1.110921 C313 C312 H13X ICOOR_INTERNAL H12X -109.288056 69.605471 1.110810 C312 C311 C313 ICOOR_INTERNAL H12Y -116.859046 64.566364 1.110892 C312 C311 H12X ICOOR_INTERNAL H11X -117.964216 70.749600 1.111157 C311 C310 C312 ICOOR_INTERNAL H11Y -123.053716 71.436354 1.111551 C311 C310 H11X ICOOR_INTERNAL H10X -113.896464 75.519912 1.111283 C310 C39 C311 ICOOR_INTERNAL H10Y -108.945971 63.005186 1.110520 C310 C39 H10X ICOOR_INTERNAL H9X -123.637828 70.969026 1.110722 C39 C38 C310 ICOOR_INTERNAL H9Y -122.597025 73.711406 1.111959 C39 C38 H9X ICOOR_INTERNAL H8X -115.178487 72.946393 1.110705 C38 C37 C39 ICOOR_INTERNAL H8Y -117.123226 61.993134 1.110833 C38 C37 H8X ICOOR_INTERNAL H7X -117.298573 76.289459 1.111605 C37 C36 C38 ICOOR_INTERNAL H7Y -113.215582 66.275084 1.110186 C37 C36 H7X ICOOR_INTERNAL H6X -123.359282 65.911177 1.111566 C36 C35 C37 ICOOR_INTERNAL H6Y -122.270999 75.530859 1.110864 C36 C35 H6X ICOOR_INTERNAL H5X -121.845148 72.064600 1.110941 C35 C34 C36 ICOOR_INTERNAL H5Y -116.876079 75.500736 1.111044 C35 C34 H5X ICOOR_INTERNAL H4X -109.901798 69.700737 1.110773 C34 C33 C35 ICOOR_INTERNAL H4Y -126.525845 70.927152 1.111243 C34 C33 H4X ICOOR_INTERNAL H3X -119.377967 78.059548 1.111288 C33 C32 C34 ICOOR_INTERNAL H3Y -118.934468 65.386883 1.111029 C33 C32 H3X ICOOR_INTERNAL H2X -117.368841 75.044478 1.110713 C32 C31 C33 ICOOR_INTERNAL H2Y -122.975763 72.645964 1.111239 C32 C31 H2X ICOOR_INTERNAL O32 177.413237 55.822442 1.227632 C31 O31 C32 ICOOR_INTERNAL HY 113.158889 73.449491 1.110482 C3 C2 O31 ICOOR_INTERNAL HX 124.216840 73.770161 1.110658 C3 C2 HY