* MBCO_AU_SDCONJ_Q0.CRD AFTER 50 SD, 150 CONJ * ONLY PROTEIN HEAVY ATOMS FIXED. * 3552 1 1 VAL N -2.72507 14.89600 14.31221 MB 1 0.00000 2 1 VAL HT1 -2.03930 14.35887 13.71758 MB 1 0.00000 3 1 VAL HT2 -3.10431 15.68097 13.72411 MB 1 0.00000 4 1 VAL HT3 -3.46512 14.21959 14.61517 MB 1 0.00000 5 1 VAL CA -1.99662 15.45100 15.48231 MB 1 0.00000 6 1 VAL HA -1.42042 16.28932 15.11625 MB 1 0.00000 7 1 VAL CB -3.00701 15.94400 16.55192 MB 1 0.00000 8 1 VAL HB -3.06499 15.16926 17.35971 MB 1 0.00000 9 1 VAL CG1 -2.56206 17.27000 17.21303 MB 1 0.00000 10 1 VAL HG11 -2.49234 18.08580 16.46648 MB 1 0.00000 11 1 VAL HG12 -1.57367 17.14233 17.70394 MB 1 0.00000 12 1 VAL HG13 -3.28918 17.58062 17.99350 MB 1 0.00000 13 1 VAL CG2 -4.42857 16.19100 16.08708 MB 1 0.00000 14 1 VAL HG21 -4.91827 15.26174 15.72741 MB 1 0.00000 15 1 VAL HG22 -4.45295 16.95694 15.28088 MB 1 0.00000 16 1 VAL HG23 -5.04313 16.57795 16.93110 MB 1 0.00000 17 1 VAL C -1.02196 14.40200 15.99053 MB 1 0.00000 18 1 VAL O -1.41760 13.23000 16.09624 MB 1 0.00000 19 2 LEU N 0.24501 14.77200 16.27044 MB 2 0.00000 20 2 LEU HN 0.56942 15.71836 16.17619 MB 2 0.00000 21 2 LEU CA 1.11765 13.84700 16.99050 MB 2 0.00000 22 2 LEU HA 1.01254 12.88320 16.53029 MB 2 0.00000 23 2 LEU CB 2.63224 14.24800 16.94396 MB 2 0.00000 24 2 LEU HB1 3.20497 13.65310 17.68135 MB 2 0.00000 25 2 LEU HB2 2.73881 15.31685 17.20140 MB 2 0.00000 26 2 LEU CG 3.20576 14.00100 15.51386 MB 2 0.00000 27 2 LEU HG 3.03544 12.92718 15.24623 MB 2 0.00000 28 2 LEU CD1 2.63200 14.86500 14.52969 MB 2 0.00000 29 2 LEU HD11 2.55770 15.91471 14.90065 MB 2 0.00000 30 2 LEU HD12 1.62140 14.53654 14.20166 MB 2 0.00000 31 2 LEU HD13 3.26280 14.89561 13.61217 MB 2 0.00000 32 2 LEU CD2 4.68294 14.21700 15.67189 MB 2 0.00000 33 2 LEU HD21 5.10075 13.56759 16.47229 MB 2 0.00000 34 2 LEU HD22 4.89862 15.27396 15.94150 MB 2 0.00000 35 2 LEU HD23 5.21943 13.97744 14.72943 MB 2 0.00000 36 2 LEU C 0.60206 13.75500 18.44813 MB 2 0.00000 37 2 LEU O 0.25333 14.77200 18.98533 MB 2 0.00000 38 3 SER N 0.71267 12.52100 18.87343 MB 3 0.00000 39 3 SER HN 1.04342 11.78669 18.26339 MB 3 0.00000 40 3 SER CA 0.58037 12.27400 20.29486 MB 3 0.00000 41 3 SER HA -0.28947 12.80411 20.66130 MB 3 0.00000 42 3 SER CB 0.39735 10.79400 20.61404 MB 3 0.00000 43 3 SER HB1 -0.50798 10.40984 20.08903 MB 3 0.00000 44 3 SER HB2 0.24595 10.63389 21.70513 MB 3 0.00000 45 3 SER OG 1.60923 10.02300 20.16084 MB 3 0.00000 46 3 SER HG1 1.36850 9.64246 19.30090 MB 3 0.00000 47 3 SER C 1.83044 12.82900 21.01145 MB 3 0.00000 48 3 SER O 2.81817 13.07600 20.41222 MB 3 0.00000 49 4 GLU N 1.65256 12.92200 22.33583 MB 4 0.00000 50 4 GLU HN 0.80480 12.62217 22.76675 MB 4 0.00000 51 4 GLU CA 2.68088 13.41500 23.24172 MB 4 0.00000 52 4 GLU HA 3.08405 14.35062 22.88006 MB 4 0.00000 53 4 GLU CB 2.11313 13.47700 24.63810 MB 4 0.00000 54 4 GLU HB1 1.92529 12.46805 25.06358 MB 4 0.00000 55 4 GLU HB2 1.14696 14.03042 24.64378 MB 4 0.00000 56 4 GLU CG 3.14046 14.24800 25.54409 MB 4 0.00000 57 4 GLU HG1 4.11368 13.73551 25.47144 MB 4 0.00000 58 4 GLU HG2 2.80950 14.24231 26.59893 MB 4 0.00000 59 4 GLU CD 3.22772 15.69800 25.06642 MB 4 0.00000 60 4 GLU OE1 2.30664 16.49900 24.95489 MB 4 0.00000 61 4 GLU OE2 4.48520 15.94400 24.71028 MB 4 0.00000 62 4 GLU C 3.75434 12.36700 23.20484 MB 4 0.00000 63 4 GLU O 4.96764 12.70600 23.08707 MB 4 0.00000 64 5 GLY N 3.40179 11.10200 23.07128 MB 5 0.00000 65 5 GLY HN 2.43495 10.87447 23.20047 MB 5 0.00000 66 5 GLY CA 4.27607 9.96100 22.75232 MB 5 0.00000 67 5 GLY HA1 3.64158 9.11343 22.54230 MB 5 0.00000 68 5 GLY HA2 4.91853 9.81084 23.60643 MB 5 0.00000 69 5 GLY C 5.18284 10.14600 21.55713 MB 5 0.00000 70 5 GLY O 6.41099 10.02300 21.70618 MB 5 0.00000 71 6 GLU N 4.64559 10.45500 20.36948 MB 6 0.00000 72 6 GLU HN 3.64670 10.52079 20.31174 MB 6 0.00000 73 6 GLU CA 5.30334 10.73200 19.16530 MB 6 0.00000 74 6 GLU HA 5.93043 9.88805 18.93203 MB 6 0.00000 75 6 GLU CB 4.25548 10.88700 18.02721 MB 6 0.00000 76 6 GLU HB1 4.75917 11.14880 17.07101 MB 6 0.00000 77 6 GLU HB2 3.57742 11.72465 18.30247 MB 6 0.00000 78 6 GLU CG 3.41054 9.62200 17.84096 MB 6 0.00000 79 6 GLU HG1 3.10290 9.13297 18.77176 MB 6 0.00000 80 6 GLU HG2 4.11626 8.87535 17.39646 MB 6 0.00000 81 6 GLU CD 2.26825 9.71500 16.87882 MB 6 0.00000 82 6 GLU OE1 2.10974 8.82000 16.02213 MB 6 0.00000 83 6 GLU OE2 1.57122 10.76300 16.91231 MB 6 0.00000 84 6 GLU C 6.23695 11.96600 19.20931 MB 6 0.00000 85 6 GLU O 7.27595 11.90400 18.67242 MB 6 0.00000 86 7 TRP N 5.74828 13.04500 19.82641 MB 7 0.00000 87 7 TRP HN 4.81538 13.06415 20.19333 MB 7 0.00000 88 7 TRP CA 6.64449 14.21700 20.07499 MB 7 0.00000 89 7 TRP HA 7.03628 14.53981 19.12160 MB 7 0.00000 90 7 TRP CB 5.84309 15.32700 20.68928 MB 7 0.00000 91 7 TRP HB1 6.54151 16.10165 21.08375 MB 7 0.00000 92 7 TRP HB2 5.26993 14.93461 21.56200 MB 7 0.00000 93 7 TRP CG 4.94306 16.06800 19.76993 MB 7 0.00000 94 7 TRP CD2 5.21770 16.80800 18.60395 MB 7 0.00000 95 7 TRP CD1 3.58326 16.22200 20.00339 MB 7 0.00000 96 7 TRP HD1 3.06720 15.77095 20.84166 MB 7 0.00000 97 7 TRP NE1 3.00273 17.02400 19.05303 MB 7 0.00000 98 7 TRP HE1 2.05174 17.21746 18.93011 MB 7 0.00000 99 7 TRP CE2 4.04518 17.36300 18.14809 MB 7 0.00000 100 7 TRP CE3 6.41474 16.99300 17.88393 MB 7 0.00000 101 7 TRP HE3 7.35151 16.57671 18.22390 MB 7 0.00000 102 7 TRP CZ2 3.94896 18.10300 16.94978 MB 7 0.00000 103 7 TRP HZ2 3.00959 18.49332 16.59551 MB 7 0.00000 104 7 TRP CZ3 6.37088 17.76400 16.74886 MB 7 0.00000 105 7 TRP HZ3 7.27991 17.93700 16.18949 MB 7 0.00000 106 7 TRP CH2 5.14033 18.31900 16.26448 MB 7 0.00000 107 7 TRP HH2 5.13684 18.88803 15.34686 MB 7 0.00000 108 7 TRP C 7.87059 13.84700 20.92752 MB 7 0.00000 109 7 TRP O 8.93597 14.43300 20.59002 MB 7 0.00000 110 8 GLN N 7.68462 13.04500 21.95128 MB 8 0.00000 111 8 GLN HN 6.76954 12.72707 22.21501 MB 8 0.00000 112 8 GLN CA 8.84612 12.61400 22.81109 MB 8 0.00000 113 8 GLN HA 9.27131 13.48985 23.28426 MB 8 0.00000 114 8 GLN CB 8.40436 11.62700 23.85967 MB 8 0.00000 115 8 GLN HB1 9.33410 11.21271 24.31840 MB 8 0.00000 116 8 GLN HB2 7.87003 10.77185 23.39113 MB 8 0.00000 117 8 GLN CG 7.57939 12.21300 24.94545 MB 8 0.00000 118 8 GLN HG1 6.59027 12.54535 24.58656 MB 8 0.00000 119 8 GLN HG2 8.10076 13.14173 25.27997 MB 8 0.00000 120 8 GLN CD 7.35034 11.44200 26.20849 MB 8 0.00000 121 8 GLN OE1 6.60828 11.84300 27.18575 MB 8 0.00000 122 8 GLN NE2 7.96446 10.20800 26.28351 MB 8 0.00000 123 8 GLN HE21 8.74361 10.02999 25.68401 MB 8 0.00000 124 8 GLN HE22 7.78038 9.61964 27.06466 MB 8 0.00000 125 8 GLN C 9.94650 11.99700 21.93368 MB 8 0.00000 126 8 GLN O 11.12338 12.33600 22.02039 MB 8 0.00000 127 9 LEU N 9.48193 11.10200 21.03938 MB 9 0.00000 128 9 LEU HN 8.51599 10.84655 21.01015 MB 9 0.00000 129 9 LEU CA 10.40266 10.45500 20.11209 MB 9 0.00000 130 9 LEU HA 11.18676 9.94011 20.65109 MB 9 0.00000 131 9 LEU CB 9.63112 9.53000 19.18127 MB 9 0.00000 132 9 LEU HB1 10.16977 9.44287 18.20385 MB 9 0.00000 133 9 LEU HB2 8.67705 10.05088 18.93681 MB 9 0.00000 134 9 LEU CG 9.25600 8.11100 19.51909 MB 9 0.00000 135 9 LEU HG 10.09742 7.45059 19.16027 MB 9 0.00000 136 9 LEU CD1 9.25111 8.01800 20.92816 MB 9 0.00000 137 9 LEU HD11 8.50960 8.70213 21.39852 MB 9 0.00000 138 9 LEU HD12 10.24870 8.18761 21.39508 MB 9 0.00000 139 9 LEU HD13 8.95382 6.98548 21.23638 MB 9 0.00000 140 9 LEU CD2 8.02414 7.67900 18.70027 MB 9 0.00000 141 9 LEU HD21 8.22103 7.78753 17.61545 MB 9 0.00000 142 9 LEU HD22 7.13815 8.27733 18.98335 MB 9 0.00000 143 9 LEU HD23 7.79772 6.60982 18.90429 MB 9 0.00000 144 9 LEU C 11.06281 11.47200 19.24325 MB 9 0.00000 145 9 LEU O 12.30108 11.38000 18.98944 MB 9 0.00000 146 10 VAL N 10.30512 12.36700 18.57934 MB 10 0.00000 147 10 VAL HN 9.30946 12.33608 18.68367 MB 10 0.00000 148 10 VAL CA 10.81867 13.44600 17.82520 MB 10 0.00000 149 10 VAL HA 11.35320 13.01823 16.98877 MB 10 0.00000 150 10 VAL CB 9.67112 14.31000 17.23330 MB 10 0.00000 151 10 VAL HB 9.02834 14.61977 18.09187 MB 10 0.00000 152 10 VAL CG1 10.11420 15.57400 16.51915 MB 10 0.00000 153 10 VAL HG11 10.79172 15.32733 15.67258 MB 10 0.00000 154 10 VAL HG12 10.65312 16.26088 17.20733 MB 10 0.00000 155 10 VAL HG13 9.23662 16.12051 16.11194 MB 10 0.00000 156 10 VAL CG2 8.78363 13.53900 16.24642 MB 10 0.00000 157 10 VAL HG21 8.39304 12.61051 16.70088 MB 10 0.00000 158 10 VAL HG22 9.37361 13.25778 15.35086 MB 10 0.00000 159 10 VAL HG23 7.91971 14.15684 15.92512 MB 10 0.00000 160 10 VAL C 11.87097 14.27900 18.59514 MB 10 0.00000 161 10 VAL O 12.96790 14.52600 18.08579 MB 10 0.00000 162 11 LEU N 11.53273 14.77200 19.76831 MB 11 0.00000 163 11 LEU HN 10.62515 14.59298 20.16523 MB 11 0.00000 164 11 LEU CA 12.41204 15.75900 20.45356 MB 11 0.00000 165 11 LEU HA 12.82382 16.44269 19.72746 MB 11 0.00000 166 11 LEU CB 11.48465 16.49900 21.41566 MB 11 0.00000 167 11 LEU HB1 12.10087 17.02285 22.18258 MB 11 0.00000 168 11 LEU HB2 10.86591 15.73034 21.92463 MB 11 0.00000 169 11 LEU CG 10.52811 17.54800 20.80421 MB 11 0.00000 170 11 LEU HG 9.87681 17.00173 20.07253 MB 11 0.00000 171 11 LEU CD1 9.59495 18.22600 21.80002 MB 11 0.00000 172 11 LEU HD11 10.19337 18.74692 22.57764 MB 11 0.00000 173 11 LEU HD12 8.94569 17.47902 22.30546 MB 11 0.00000 174 11 LEU HD13 8.95780 18.97359 21.28618 MB 11 0.00000 175 11 LEU CD2 11.29168 18.56600 20.05896 MB 11 0.00000 176 11 LEU HD21 11.91145 18.14524 19.24063 MB 11 0.00000 177 11 LEU HD22 11.96241 19.13131 20.74351 MB 11 0.00000 178 11 LEU HD23 10.59949 19.29478 19.58578 MB 11 0.00000 179 11 LEU C 13.62339 15.05000 21.04028 MB 11 0.00000 180 11 LEU O 14.74234 15.60500 21.09946 MB 11 0.00000 181 12 HSD N 13.57354 13.75500 21.31338 MB 12 0.00000 182 12 HSD HN 12.68255 13.29512 21.27518 MB 12 0.00000 183 12 HSD CA 14.68236 12.92200 21.77542 MB 12 0.00000 184 12 HSD HA 15.14056 13.42184 22.61657 MB 12 0.00000 185 12 HSD ND1 15.55820 11.16400 24.20517 MB 12 0.00000 186 12 HSD HD1 15.30118 12.03558 24.63651 MB 12 0.00000 187 12 HSD CG 15.29585 10.76300 22.88936 MB 12 0.00000 188 12 HSD CB 14.30058 11.53400 22.14804 MB 12 0.00000 189 12 HSD HB1 13.96755 10.94892 21.26087 MB 12 0.00000 190 12 HSD HB2 13.40657 11.59422 22.81415 MB 12 0.00000 191 12 HSD NE2 16.84055 9.37500 23.71198 MB 12 0.00000 192 12 HSD CD2 15.97793 9.65300 22.58805 MB 12 0.00000 193 12 HSD HD2 15.99257 9.05963 21.68461 MB 12 0.00000 194 12 HSD CE1 16.48169 10.27000 24.65204 MB 12 0.00000 195 12 HSD HE1 16.93836 10.34516 25.64144 MB 12 0.00000 196 12 HSD C 15.75636 12.76800 20.69862 MB 12 0.00000 197 12 HSD O 16.88339 12.98400 21.05842 MB 12 0.00000 198 13 VAL N 15.47491 12.39800 19.48614 MB 13 0.00000 199 13 VAL HN 14.53484 12.17927 19.22671 MB 13 0.00000 200 13 VAL CA 16.48421 12.49000 18.41563 MB 13 0.00000 201 13 VAL HA 17.39136 12.03545 18.78800 MB 13 0.00000 202 13 VAL CB 16.08103 11.68800 17.18080 MB 13 0.00000 203 13 VAL HB 15.84755 10.65023 17.53552 MB 13 0.00000 204 13 VAL CG1 14.88888 12.21300 16.49175 MB 13 0.00000 205 13 VAL HG11 15.06085 13.24011 16.09872 MB 13 0.00000 206 13 VAL HG12 14.00581 12.25342 17.16810 MB 13 0.00000 207 13 VAL HG13 14.61281 11.57401 15.62495 MB 13 0.00000 208 13 VAL CG2 17.26521 11.56500 16.19378 MB 13 0.00000 209 13 VAL HG21 18.16357 11.16539 16.70729 MB 13 0.00000 210 13 VAL HG22 17.51928 12.55405 15.75685 MB 13 0.00000 211 13 VAL HG23 17.00014 10.88026 15.36010 MB 13 0.00000 212 13 VAL C 16.85356 13.94000 18.11152 MB 13 0.00000 213 13 VAL O 18.11671 14.06300 17.72066 MB 13 0.00000 214 14 TRP N 15.95976 14.92700 18.19828 MB 14 0.00000 215 14 TRP HN 14.99727 14.76992 18.43014 MB 14 0.00000 216 14 TRP CA 16.39181 16.28400 17.88809 MB 14 0.00000 217 14 TRP HA 16.84157 16.23630 16.90878 MB 14 0.00000 218 14 TRP CB 15.33756 17.33200 17.82263 MB 14 0.00000 219 14 TRP HB1 14.98054 17.61281 18.83406 MB 14 0.00000 220 14 TRP HB2 14.45986 16.91924 17.27345 MB 14 0.00000 221 14 TRP CG 15.78641 18.53500 17.07477 MB 14 0.00000 222 14 TRP CD2 15.91980 18.59700 15.65424 MB 14 0.00000 223 14 TRP CD1 16.14714 19.76800 17.50995 MB 14 0.00000 224 14 TRP HD1 16.09152 20.07967 18.54187 MB 14 0.00000 225 14 TRP NE1 16.52510 20.60100 16.46656 MB 14 0.00000 226 14 TRP HE1 17.00204 21.44823 16.59476 MB 14 0.00000 227 14 TRP CE2 16.42222 19.86100 15.30306 MB 14 0.00000 228 14 TRP CE3 15.72256 17.64000 14.66768 MB 14 0.00000 229 14 TRP HE3 15.37796 16.64349 14.89623 MB 14 0.00000 230 14 TRP CZ2 16.60010 20.26200 13.97868 MB 14 0.00000 231 14 TRP HZ2 16.93736 21.24612 13.70846 MB 14 0.00000 232 14 TRP CZ3 15.96405 18.01100 13.33612 MB 14 0.00000 233 14 TRP HZ3 15.81670 17.29192 12.54122 MB 14 0.00000 234 14 TRP CH2 16.39043 19.27500 13.06064 MB 14 0.00000 235 14 TRP HH2 16.56669 19.52542 12.01845 MB 14 0.00000 236 14 TRP C 17.52933 16.80800 18.88385 MB 14 0.00000 237 14 TRP O 18.37623 17.57900 18.36561 MB 14 0.00000 238 15 ALA N 17.36398 16.46900 20.14070 MB 15 0.00000 239 15 ALA HN 16.56022 15.94916 20.44331 MB 15 0.00000 240 15 ALA CA 18.36634 16.80800 21.18274 MB 15 0.00000 241 15 ALA HA 18.42012 17.87808 21.30600 MB 15 0.00000 242 15 ALA CB 17.93952 16.16000 22.49913 MB 15 0.00000 243 15 ALA HB1 17.85186 15.05754 22.39291 MB 15 0.00000 244 15 ALA HB2 16.94905 16.55124 22.81669 MB 15 0.00000 245 15 ALA HB3 18.66794 16.38285 23.30995 MB 15 0.00000 246 15 ALA C 19.75788 16.34500 20.77942 MB 15 0.00000 247 15 ALA O 20.76328 17.05500 21.11787 MB 15 0.00000 248 16 LYS N 19.86912 15.17300 20.16580 MB 16 0.00000 249 16 LYS HN 19.08258 14.58451 20.00127 MB 16 0.00000 250 16 LYS CA 21.22761 14.77200 19.59790 MB 16 0.00000 251 16 LYS HA 21.99467 14.96034 20.33516 MB 16 0.00000 252 16 LYS CB 21.07293 13.26100 19.41198 MB 16 0.00000 253 16 LYS HB1 22.01595 12.80985 19.03964 MB 16 0.00000 254 16 LYS HB2 20.24745 13.04059 18.70613 MB 16 0.00000 255 16 LYS CG 20.74844 12.61400 20.85106 MB 16 0.00000 256 16 LYS HG1 19.85764 13.07067 21.32998 MB 16 0.00000 257 16 LYS HG2 21.61756 12.76202 21.53032 MB 16 0.00000 258 16 LYS CD 20.48556 11.19500 20.57516 MB 16 0.00000 259 16 LYS HD1 21.37344 10.60654 20.92464 MB 16 0.00000 260 16 LYS HD2 20.44755 11.04162 19.46793 MB 16 0.00000 261 16 LYS CE 19.24870 10.57800 21.16441 MB 16 0.00000 262 16 LYS HE1 18.33842 11.16562 20.93278 MB 16 0.00000 263 16 LYS HE2 19.34207 10.47221 22.26691 MB 16 0.00000 264 16 LYS NZ 19.04044 9.19000 20.58181 MB 16 0.00000 265 16 LYS HZ1 18.53293 8.55745 21.25168 MB 16 0.00000 266 16 LYS HZ2 19.99366 8.77969 20.39739 MB 16 0.00000 267 16 LYS HZ3 18.49242 9.25095 19.71643 MB 16 0.00000 268 16 LYS C 21.64209 15.45100 18.35103 MB 16 0.00000 269 16 LYS O 22.89271 15.57400 18.02770 MB 16 0.00000 270 17 VAL N 20.67170 15.88300 17.47267 MB 17 0.00000 271 17 VAL HN 19.70260 15.71174 17.64595 MB 17 0.00000 272 17 VAL CA 21.00427 16.74600 16.33422 MB 17 0.00000 273 17 VAL HA 21.64705 16.19683 15.66422 MB 17 0.00000 274 17 VAL CB 19.76663 17.27000 15.54911 MB 17 0.00000 275 17 VAL HB 19.14094 17.88635 16.23959 MB 17 0.00000 276 17 VAL CG1 20.15614 18.19600 14.43828 MB 17 0.00000 277 17 VAL HG11 20.87933 17.70440 13.75184 MB 17 0.00000 278 17 VAL HG12 20.61198 19.13949 14.80902 MB 17 0.00000 279 17 VAL HG13 19.25743 18.48079 13.84675 MB 17 0.00000 280 17 VAL CG2 18.90107 16.09800 15.12977 MB 17 0.00000 281 17 VAL HG21 18.52633 15.52803 15.99425 MB 17 0.00000 282 17 VAL HG22 19.50056 15.40660 14.49979 MB 17 0.00000 283 17 VAL HG23 18.03554 16.44592 14.53153 MB 17 0.00000 284 17 VAL C 21.79360 18.01100 16.82727 MB 17 0.00000 285 17 VAL O 22.71673 18.50400 16.23532 MB 17 0.00000 286 18 GLU N 21.23020 18.56600 17.85450 MB 18 0.00000 287 18 GLU HN 20.37287 18.19073 18.20921 MB 18 0.00000 288 18 GLU CA 21.73308 19.76800 18.54314 MB 18 0.00000 289 18 GLU HA 21.80159 20.54446 17.80071 MB 18 0.00000 290 18 GLU CB 20.66476 20.23100 19.58522 MB 18 0.00000 291 18 GLU HB1 21.06651 21.12100 20.12038 MB 18 0.00000 292 18 GLU HB2 20.44821 19.43783 20.32663 MB 18 0.00000 293 18 GLU CG 19.43289 20.60100 18.76640 MB 18 0.00000 294 18 GLU HG1 18.84428 19.73091 18.44767 MB 18 0.00000 295 18 GLU HG2 19.77850 21.09492 17.82643 MB 18 0.00000 296 18 GLU CD 18.50309 21.58800 19.39316 MB 18 0.00000 297 18 GLU OE1 17.75208 22.29700 18.69444 MB 18 0.00000 298 18 GLU OE2 18.65147 21.58800 20.65272 MB 18 0.00000 299 18 GLU C 23.14220 19.64500 19.07650 MB 18 0.00000 300 18 GLU O 23.88939 20.66300 19.10445 MB 18 0.00000 301 19 ALA N 23.61548 18.41100 19.23251 MB 19 0.00000 302 19 ALA HN 23.01597 17.62240 19.14438 MB 19 0.00000 303 19 ALA CA 24.99831 18.13400 19.56748 MB 19 0.00000 304 19 ALA HA 25.26897 18.73778 20.42487 MB 19 0.00000 305 19 ALA CB 25.12136 16.65400 19.92426 MB 19 0.00000 306 19 ALA HB1 24.97529 16.01125 19.03570 MB 19 0.00000 307 19 ALA HB2 24.36240 16.38821 20.69238 MB 19 0.00000 308 19 ALA HB3 26.11495 16.41705 20.34499 MB 19 0.00000 309 19 ALA C 25.96312 18.50400 18.40082 MB 19 0.00000 310 19 ALA O 27.17206 18.59700 18.65220 MB 19 0.00000 311 20 ASP N 25.42577 18.62700 17.21217 MB 20 0.00000 312 20 ASP HN 24.44445 18.51550 17.04161 MB 20 0.00000 313 20 ASP CA 26.32120 18.99700 16.08640 MB 20 0.00000 314 20 ASP HA 26.99229 19.80023 16.36621 MB 20 0.00000 315 20 ASP CB 27.02825 17.70200 15.64904 MB 20 0.00000 316 20 ASP HB1 26.29792 16.91079 15.38109 MB 20 0.00000 317 20 ASP HB2 27.64701 17.31152 16.48695 MB 20 0.00000 318 20 ASP CG 27.92259 17.98000 14.52237 MB 20 0.00000 319 20 ASP OD1 28.30874 17.11600 13.78060 MB 20 0.00000 320 20 ASP OD2 28.22157 19.18200 14.25926 MB 20 0.00000 321 20 ASP C 25.38821 19.46000 15.00346 MB 20 0.00000 322 20 ASP O 25.17178 18.59700 14.11924 MB 20 0.00000 323 21 VAL N 24.84597 20.66300 15.22388 MB 21 0.00000 324 21 VAL HN 25.02221 21.19236 16.05243 MB 21 0.00000 325 21 VAL CA 23.97092 21.18700 14.16848 MB 21 0.00000 326 21 VAL HA 23.14922 20.49348 14.04581 MB 21 0.00000 327 21 VAL CB 23.38549 22.54400 14.62718 MB 21 0.00000 328 21 VAL HB 24.21663 23.27585 14.75041 MB 21 0.00000 329 21 VAL CG1 22.37637 23.13000 13.61896 MB 21 0.00000 330 21 VAL HG11 21.52354 22.43023 13.49868 MB 21 0.00000 331 21 VAL HG12 22.83693 23.30050 12.62479 MB 21 0.00000 332 21 VAL HG13 21.98298 24.10291 13.98503 MB 21 0.00000 333 21 VAL CG2 22.69034 22.39000 16.03593 MB 21 0.00000 334 21 VAL HG21 23.41136 22.08165 16.81839 MB 21 0.00000 335 21 VAL HG22 21.88084 21.63475 15.96546 MB 21 0.00000 336 21 VAL HG23 22.24537 23.35886 16.34101 MB 21 0.00000 337 21 VAL C 24.59570 21.37200 12.80072 MB 21 0.00000 338 21 VAL O 24.03438 21.00200 11.74803 MB 21 0.00000 339 22 ALA N 25.71456 22.05100 12.85891 MB 22 0.00000 340 22 ALA HN 26.08347 22.35571 13.73340 MB 22 0.00000 341 22 ALA CA 26.50656 22.39000 11.60955 MB 22 0.00000 342 22 ALA HA 25.90638 23.08164 11.03373 MB 22 0.00000 343 22 ALA CB 27.73602 23.09900 12.09303 MB 22 0.00000 344 22 ALA HB1 28.52703 22.39989 12.43773 MB 22 0.00000 345 22 ALA HB2 27.48401 23.77888 12.93797 MB 22 0.00000 346 22 ALA HB3 28.12055 23.75446 11.28412 MB 22 0.00000 347 22 ALA C 26.73126 21.18700 10.71566 MB 22 0.00000 348 22 ALA O 26.50774 21.06400 9.53071 MB 22 0.00000 349 23 GLY N 27.24658 20.07700 11.33578 MB 23 0.00000 350 23 GLY HN 27.44307 20.13289 12.31875 MB 23 0.00000 351 23 GLY CA 27.53071 18.81200 10.80585 MB 23 0.00000 352 23 GLY HA1 27.79672 18.15986 11.62245 MB 23 0.00000 353 23 GLY HA2 28.31038 18.92069 10.06630 MB 23 0.00000 354 23 GLY C 26.33857 18.22600 10.11680 MB 23 0.00000 355 23 GLY O 26.28794 17.79500 9.01554 MB 23 0.00000 356 24 HSD N 25.24395 18.22600 10.96049 MB 24 0.00000 357 24 HSD HN 25.28227 18.54902 11.90531 MB 24 0.00000 358 24 HSD CA 24.02693 17.70200 10.40848 MB 24 0.00000 359 24 HSD HA 24.19877 16.72272 9.97981 MB 24 0.00000 360 24 HSD ND1 23.83979 16.65400 13.51107 MB 24 0.00000 361 24 HSD HD1 24.39268 17.45078 13.75701 MB 24 0.00000 362 24 HSD CG 22.97051 16.49900 12.42196 MB 24 0.00000 363 24 HSD CB 22.89491 17.64000 11.45675 MB 24 0.00000 364 24 HSD HB1 21.91327 17.50471 10.94959 MB 24 0.00000 365 24 HSD HB2 22.84606 18.59785 12.02127 MB 24 0.00000 366 24 HSD NE2 22.75957 14.64900 13.58176 MB 24 0.00000 367 24 HSD CD2 22.40765 15.26600 12.40928 MB 24 0.00000 368 24 HSD HD2 21.71159 14.81925 11.71245 MB 24 0.00000 369 24 HSD CE1 23.65142 15.54300 14.19949 MB 24 0.00000 370 24 HSD HE1 24.14641 15.35917 15.15329 MB 24 0.00000 371 24 HSD C 23.47038 18.59700 9.32217 MB 24 0.00000 372 24 HSD O 22.89672 18.10300 8.33899 MB 24 0.00000 373 25 GLY N 23.60686 19.89200 9.61033 MB 25 0.00000 374 25 GLY HN 24.02457 20.24685 10.45070 MB 25 0.00000 375 25 GLY CA 23.04464 20.84800 8.55873 MB 25 0.00000 376 25 GLY HA1 23.23287 21.85231 8.90558 MB 25 0.00000 377 25 GLY HA2 21.99404 20.63862 8.41587 MB 25 0.00000 378 25 GLY C 23.72735 20.69400 7.21850 MB 25 0.00000 379 25 GLY O 23.03096 20.81700 6.21308 MB 25 0.00000 380 26 GLN N 25.04984 20.50900 7.19061 MB 26 0.00000 381 26 GLN HN 25.55857 20.51559 8.05834 MB 26 0.00000 382 26 GLN CA 25.82932 20.29300 6.00878 MB 26 0.00000 383 26 GLN HA 25.57681 21.09697 5.33008 MB 26 0.00000 384 26 GLN CB 27.35875 20.29300 6.22905 MB 26 0.00000 385 26 GLN HB1 27.73965 19.33445 6.63180 MB 26 0.00000 386 26 GLN HB2 27.58554 21.09514 6.96744 MB 26 0.00000 387 26 GLN CG 28.04724 20.69400 4.85511 MB 26 0.00000 388 26 GLN HG1 27.37097 21.35416 4.26724 MB 26 0.00000 389 26 GLN HG2 28.16826 19.74391 4.31788 MB 26 0.00000 390 26 GLN CD 29.35819 21.34100 4.89465 MB 26 0.00000 391 26 GLN OE1 29.73766 22.35900 4.18768 MB 26 0.00000 392 26 GLN NE2 30.33435 20.78600 5.73929 MB 26 0.00000 393 26 GLN HE21 31.23724 21.19942 5.66523 MB 26 0.00000 394 26 GLN HE22 30.18244 19.90223 6.17229 MB 26 0.00000 395 26 GLN C 25.45483 18.99700 5.30768 MB 26 0.00000 396 26 GLN O 25.18572 19.02800 4.02568 MB 26 0.00000 397 27 ASP N 25.33692 17.88700 5.95610 MB 27 0.00000 398 27 ASP HN 25.57569 17.85221 6.92770 MB 27 0.00000 399 27 ASP CA 25.00117 16.62300 5.38487 MB 27 0.00000 400 27 ASP HA 25.73984 16.34296 4.64422 MB 27 0.00000 401 27 ASP CB 24.86069 15.57400 6.50467 MB 27 0.00000 402 27 ASP HB1 24.35680 14.65665 6.14326 MB 27 0.00000 403 27 ASP HB2 24.31540 15.98241 7.37541 MB 27 0.00000 404 27 ASP CG 26.27658 15.11200 7.00422 MB 27 0.00000 405 27 ASP OD1 27.25764 15.45100 6.43981 MB 27 0.00000 406 27 ASP OD2 26.35218 14.34100 7.96944 MB 27 0.00000 407 27 ASP C 23.56576 16.68400 4.65312 MB 27 0.00000 408 27 ASP O 23.36843 16.03700 3.66556 MB 27 0.00000 409 28 ILE N 22.72695 17.27000 5.47198 MB 28 0.00000 410 28 ILE HN 22.99965 17.64676 6.36009 MB 28 0.00000 411 28 ILE CA 21.25403 17.48600 4.94381 MB 28 0.00000 412 28 ILE HA 20.85735 16.51952 4.66605 MB 28 0.00000 413 28 ILE CB 20.42907 18.01100 6.02958 MB 28 0.00000 414 28 ILE HB 20.96312 18.88046 6.49519 MB 28 0.00000 415 28 ILE CG2 19.09041 18.53500 5.45623 MB 28 0.00000 416 28 ILE HG21 18.52922 17.70950 4.96996 MB 28 0.00000 417 28 ILE HG22 19.24450 19.34524 4.71402 MB 28 0.00000 418 28 ILE HG23 18.44935 18.97404 6.24426 MB 28 0.00000 419 28 ILE CG1 20.17273 16.99300 7.09433 MB 28 0.00000 420 28 ILE HG11 21.12751 16.54059 7.44359 MB 28 0.00000 421 28 ILE HG12 19.54910 16.17066 6.67702 MB 28 0.00000 422 28 ILE CD 19.44452 17.61000 8.33850 MB 28 0.00000 423 28 ILE HD1 18.57487 18.22872 8.07487 MB 28 0.00000 424 28 ILE HD2 20.16927 18.25597 8.87171 MB 28 0.00000 425 28 ILE HD3 19.12206 16.80381 9.02940 MB 28 0.00000 426 28 ILE C 21.29775 18.28800 3.66560 MB 28 0.00000 427 28 ILE O 20.73553 17.76400 2.61400 MB 28 0.00000 428 29 LEU N 21.82088 19.46000 3.54852 MB 29 0.00000 429 29 LEU HN 22.26805 19.89119 4.33509 MB 29 0.00000 430 29 LEU CA 21.80081 20.26200 2.27550 MB 29 0.00000 431 29 LEU HA 20.77445 20.31461 1.94658 MB 29 0.00000 432 29 LEU CB 22.31381 21.71100 2.56128 MB 29 0.00000 433 29 LEU HB1 22.40685 22.23903 1.58055 MB 29 0.00000 434 29 LEU HB2 23.34972 21.62352 2.97135 MB 29 0.00000 435 29 LEU CG 21.52626 22.54400 3.44248 MB 29 0.00000 436 29 LEU HG 21.38448 21.99716 4.41233 MB 29 0.00000 437 29 LEU CD1 22.02674 23.90100 3.79579 MB 29 0.00000 438 29 LEU HD11 22.13160 24.53049 2.88444 MB 29 0.00000 439 29 LEU HD12 23.02475 23.83873 4.28542 MB 29 0.00000 440 29 LEU HD13 21.33099 24.41834 4.49292 MB 29 0.00000 441 29 LEU CD2 20.07265 22.72900 2.81297 MB 29 0.00000 442 29 LEU HD21 19.53221 21.76603 2.75413 MB 29 0.00000 443 29 LEU HD22 20.15782 23.16876 1.79825 MB 29 0.00000 444 29 LEU HD23 19.48125 23.41920 3.44882 MB 29 0.00000 445 29 LEU C 22.51090 19.61400 1.13456 MB 29 0.00000 446 29 LEU O 22.09519 19.61400 -0.03273 MB 29 0.00000 447 30 ILE N 23.65037 18.96700 1.42585 MB 30 0.00000 448 30 ILE HN 24.03651 18.99553 2.35194 MB 30 0.00000 449 30 ILE CA 24.39243 18.19600 0.44858 MB 30 0.00000 450 30 ILE HA 24.61964 18.83640 -0.39307 MB 30 0.00000 451 30 ILE CB 25.72541 17.70200 1.05665 MB 30 0.00000 452 30 ILE HB 25.50054 17.29451 2.07148 MB 30 0.00000 453 30 ILE CG2 26.32087 16.49900 0.19409 MB 30 0.00000 454 30 ILE HG21 26.44727 16.82032 -0.86021 MB 30 0.00000 455 30 ILE HG22 25.66648 15.60752 0.23028 MB 30 0.00000 456 30 ILE HG23 27.31188 16.20534 0.59352 MB 30 0.00000 457 30 ILE CG1 26.70353 18.81200 1.19681 MB 30 0.00000 458 30 ILE HG11 26.19825 19.73943 1.54679 MB 30 0.00000 459 30 ILE HG12 27.14786 19.01147 0.20461 MB 30 0.00000 460 30 ILE CD 27.89231 18.50400 2.25492 MB 30 0.00000 461 30 ILE HD1 28.48582 17.64753 1.88473 MB 30 0.00000 462 30 ILE HD2 27.45232 18.23283 3.23301 MB 30 0.00000 463 30 ILE HD3 28.55104 19.39155 2.33187 MB 30 0.00000 464 30 ILE C 23.55185 17.05500 -0.10681 MB 30 0.00000 465 30 ILE O 23.58313 16.77700 -1.31649 MB 30 0.00000 466 31 ARG N 22.89846 16.25300 0.72822 MB 31 0.00000 467 31 ARG HN 22.98010 16.39285 1.71825 MB 31 0.00000 468 31 ARG CA 21.97497 15.17300 0.28135 MB 31 0.00000 469 31 ARG HA 22.57163 14.47023 -0.28172 MB 31 0.00000 470 31 ARG CB 21.35695 14.61800 1.61530 MB 31 0.00000 471 31 ARG HB1 20.83156 15.43242 2.15897 MB 31 0.00000 472 31 ARG HB2 22.23018 14.33682 2.25602 MB 31 0.00000 473 31 ARG CG 20.49947 13.44600 1.49658 MB 31 0.00000 474 31 ARG HG1 19.49996 13.78318 1.12245 MB 31 0.00000 475 31 ARG HG2 20.33030 12.95222 2.48221 MB 31 0.00000 476 31 ARG CD 21.05620 12.45900 0.50415 MB 31 0.00000 477 31 ARG HD1 21.92666 12.07133 1.09498 MB 31 0.00000 478 31 ARG HD2 21.39595 12.87565 -0.46649 MB 31 0.00000 479 31 ARG NE 19.92916 11.47200 0.14435 MB 31 0.00000 480 31 ARG HE 19.04625 11.69376 -0.28144 MB 31 0.00000 481 31 ARG CZ 20.48962 10.23900 -0.17830 MB 31 0.00000 482 31 ARG NH1 19.68875 9.28300 -0.60392 MB 31 0.00000 483 31 ARG HH11 18.74151 9.54087 -0.77139 MB 31 0.00000 484 31 ARG HH12 20.09620 8.41446 -0.93224 MB 31 0.00000 485 31 ARG NH2 21.83372 10.11600 0.02681 MB 31 0.00000 486 31 ARG HH21 22.28395 9.28703 -0.32548 MB 31 0.00000 487 31 ARG HH22 22.40478 10.91203 0.15840 MB 31 0.00000 488 31 ARG C 20.94187 15.72800 -0.59092 MB 31 0.00000 489 31 ARG O 20.57075 15.23500 -1.66108 MB 31 0.00000 490 32 LEU N 20.29851 16.83900 -0.15975 MB 32 0.00000 491 32 LEU HN 20.55779 17.27568 0.70587 MB 32 0.00000 492 32 LEU CA 19.18828 17.45500 -0.95723 MB 32 0.00000 493 32 LEU HA 18.39770 16.73042 -1.07871 MB 32 0.00000 494 32 LEU CB 18.74510 18.68900 -0.24408 MB 32 0.00000 495 32 LEU HB1 19.63822 19.31729 -0.01370 MB 32 0.00000 496 32 LEU HB2 18.31109 18.40394 0.74174 MB 32 0.00000 497 32 LEU CG 17.74983 19.58300 -0.98539 MB 32 0.00000 498 32 LEU HG 18.16991 19.86559 -1.98077 MB 32 0.00000 499 32 LEU CD1 16.53412 18.68900 -1.20296 MB 32 0.00000 500 32 LEU HD11 16.22820 18.20221 -0.25335 MB 32 0.00000 501 32 LEU HD12 16.72866 17.90978 -1.96929 MB 32 0.00000 502 32 LEU HD13 15.67808 19.30090 -1.55773 MB 32 0.00000 503 32 LEU CD2 17.43415 20.87900 -0.28361 MB 32 0.00000 504 32 LEU HD21 18.36067 21.48191 -0.15171 MB 32 0.00000 505 32 LEU HD22 16.99416 20.69384 0.71810 MB 32 0.00000 506 32 LEU HD23 16.71584 21.48214 -0.87927 MB 32 0.00000 507 32 LEU C 19.69134 17.85600 -2.34733 MB 32 0.00000 508 32 LEU O 19.13011 17.51700 -3.39903 MB 32 0.00000 509 33 PHE N 20.83526 18.53500 -2.42420 MB 33 0.00000 510 33 PHE HN 21.29503 18.80904 -1.57404 MB 33 0.00000 511 33 PHE CA 21.49977 19.05900 -3.66219 MB 33 0.00000 512 33 PHE HA 20.75229 19.57221 -4.24633 MB 33 0.00000 513 33 PHE CB 22.70294 19.95300 -3.37709 MB 33 0.00000 514 33 PHE HB1 23.20171 20.22999 -4.33292 MB 33 0.00000 515 33 PHE HB2 23.43830 19.38348 -2.76370 MB 33 0.00000 516 33 PHE CG 22.45086 21.21800 -2.68249 MB 33 0.00000 517 33 PHE CD1 21.17155 21.80400 -2.89288 MB 33 0.00000 518 33 PHE HD1 20.44821 21.39575 -3.57545 MB 33 0.00000 519 33 PHE CD2 23.36333 21.83500 -1.83166 MB 33 0.00000 520 33 PHE HD2 24.33844 21.40041 -1.67340 MB 33 0.00000 521 33 PHE CE1 20.79785 22.91400 -2.21963 MB 33 0.00000 522 33 PHE HE1 19.81440 23.32482 -2.38077 MB 33 0.00000 523 33 PHE CE2 22.98385 23.00700 -1.12469 MB 33 0.00000 524 33 PHE HE2 23.68963 23.48212 -0.46337 MB 33 0.00000 525 33 PHE CZ 21.69778 23.56200 -1.30127 MB 33 0.00000 526 33 PHE HZ 21.39750 24.45332 -0.77494 MB 33 0.00000 527 33 PHE C 21.91656 17.88700 -4.57472 MB 33 0.00000 528 33 PHE O 21.83288 17.98000 -5.84056 MB 33 0.00000 529 34 LYS N 22.30925 16.80800 -3.97586 MB 34 0.00000 530 34 LYS HN 22.42960 16.75109 -2.98379 MB 34 0.00000 531 34 LYS CA 22.84101 15.72800 -4.83224 MB 34 0.00000 532 34 LYS HA 23.37283 16.12841 -5.68808 MB 34 0.00000 533 34 LYS CB 23.81817 14.86500 -3.98769 MB 34 0.00000 534 34 LYS HB1 23.98109 13.90778 -4.52093 MB 34 0.00000 535 34 LYS HB2 23.34380 14.61218 -3.01195 MB 34 0.00000 536 34 LYS CG 25.03378 15.69800 -3.77111 MB 34 0.00000 537 34 LYS HG1 24.91196 16.51404 -3.04125 MB 34 0.00000 538 34 LYS HG2 25.36040 16.18570 -4.71998 MB 34 0.00000 539 34 LYS CD 26.14160 14.71100 -3.30898 MB 34 0.00000 540 34 LYS HD1 25.74078 13.97015 -2.59637 MB 34 0.00000 541 34 LYS HD2 27.02218 15.23121 -2.89016 MB 34 0.00000 542 34 LYS CE 26.52979 14.06300 -4.75424 MB 34 0.00000 543 34 LYS HE1 27.21171 14.72702 -5.31146 MB 34 0.00000 544 34 LYS HE2 25.70732 13.71881 -5.39165 MB 34 0.00000 545 34 LYS NZ 27.33165 12.79900 -4.32871 MB 34 0.00000 546 34 LYS HZ1 26.73706 12.18038 -3.73393 MB 34 0.00000 547 34 LYS HZ2 28.16857 13.07169 -3.75905 MB 34 0.00000 548 34 LYS HZ3 27.66135 12.27479 -5.17201 MB 34 0.00000 549 34 LYS C 21.68768 14.86500 -5.39043 MB 34 0.00000 550 34 LYS O 21.70076 14.40200 -6.49787 MB 34 0.00000 551 35 SER N 20.70903 14.68000 -4.49067 MB 35 0.00000 552 35 SER HN 20.75752 15.00311 -3.53982 MB 35 0.00000 553 35 SER CA 19.58767 13.81600 -4.88518 MB 35 0.00000 554 35 SER HA 19.95148 12.93304 -5.39309 MB 35 0.00000 555 35 SER CB 18.79576 13.41500 -3.63483 MB 35 0.00000 556 35 SER HB1 17.96466 12.72051 -3.89209 MB 35 0.00000 557 35 SER HB2 18.35996 14.32450 -3.16529 MB 35 0.00000 558 35 SER OG 19.62622 12.82900 -2.67658 MB 35 0.00000 559 35 SER HG1 19.82205 11.93238 -2.99856 MB 35 0.00000 560 35 SER C 18.62404 14.55600 -5.79736 MB 35 0.00000 561 35 SER O 18.08234 13.84700 -6.61686 MB 35 0.00000 562 36 HSD N 18.45923 15.82100 -5.58042 MB 36 0.00000 563 36 HSD HN 18.97400 16.25647 -4.83426 MB 36 0.00000 564 36 HSD CA 17.59235 16.74600 -6.33420 MB 36 0.00000 565 36 HSD HA 17.23486 16.25556 -7.22932 MB 36 0.00000 566 36 HSD ND1 14.78297 15.20400 -5.72594 MB 36 0.00000 567 36 HSD HD1 14.54031 15.42733 -6.68224 MB 36 0.00000 568 36 HSD CG 15.63841 15.91300 -4.90374 MB 36 0.00000 569 36 HSD CB 16.31241 17.14700 -5.50567 MB 36 0.00000 570 36 HSD HB1 15.60025 17.71026 -6.14349 MB 36 0.00000 571 36 HSD HB2 16.62070 17.79024 -4.65499 MB 36 0.00000 572 36 HSD NE2 15.00455 14.18600 -3.83651 MB 36 0.00000 573 36 HSD CD2 15.86770 15.26600 -3.75251 MB 36 0.00000 574 36 HSD HD2 16.48640 15.48724 -2.89545 MB 36 0.00000 575 36 HSD CE1 14.41026 14.21700 -5.05279 MB 36 0.00000 576 36 HSD HE1 13.70513 13.46950 -5.43314 MB 36 0.00000 577 36 HSD C 18.35634 18.01100 -6.74392 MB 36 0.00000 578 36 HSD O 18.12357 19.09000 -6.15066 MB 36 0.00000 579 37 PRO N 19.11761 17.91800 -7.82352 MB 37 0.00000 580 37 PRO CA 19.92000 18.99700 -8.43791 MB 37 0.00000 581 37 PRO HA 20.70510 19.23002 -7.73277 MB 37 0.00000 582 37 PRO CD 19.54257 16.59200 -8.43443 MB 37 0.00000 583 37 PRO HD1 18.69767 16.09317 -8.93481 MB 37 0.00000 584 37 PRO HD2 19.97783 15.92086 -7.66434 MB 37 0.00000 585 37 PRO CB 20.47432 18.38100 -9.76567 MB 37 0.00000 586 37 PRO HB1 21.41388 18.88096 -10.08089 MB 37 0.00000 587 37 PRO HB2 19.71824 18.48623 -10.57597 MB 37 0.00000 588 37 PRO CG 20.66783 16.93100 -9.44888 MB 37 0.00000 589 37 PRO HG1 20.64250 16.26965 -10.33787 MB 37 0.00000 590 37 PRO HG2 21.64679 16.79379 -8.92947 MB 37 0.00000 591 37 PRO C 19.21500 20.29300 -8.70404 MB 37 0.00000 592 37 PRO O 19.81658 21.40300 -8.56149 MB 37 0.00000 593 38 GLU N 17.90930 20.16900 -9.11382 MB 38 0.00000 594 38 GLU HN 17.40820 19.29262 -9.18049 MB 38 0.00000 595 38 GLU CA 17.12806 21.43400 -9.30624 MB 38 0.00000 596 38 GLU HA 17.60496 22.02666 -10.07461 MB 38 0.00000 597 38 GLU CB 15.69396 21.09500 -9.70356 MB 38 0.00000 598 38 GLU HB1 15.74747 20.61659 -10.71277 MB 38 0.00000 599 38 GLU HB2 15.16302 22.06511 -9.88290 MB 38 0.00000 600 38 GLU CG 14.84838 20.26200 -8.85088 MB 38 0.00000 601 38 GLU HG1 13.80149 20.39908 -9.22189 MB 38 0.00000 602 38 GLU HG2 14.82824 20.70764 -7.82327 MB 38 0.00000 603 38 GLU CD 15.00307 18.84300 -8.66495 MB 38 0.00000 604 38 GLU OE1 14.05275 18.04100 -8.27030 MB 38 0.00000 605 38 GLU OE2 16.02395 18.22600 -9.09861 MB 38 0.00000 606 38 GLU C 17.08434 22.26600 -8.02804 MB 38 0.00000 607 38 GLU O 16.85342 23.50000 -8.14026 MB 38 0.00000 608 39 THR N 17.24993 21.74200 -6.87063 MB 39 0.00000 609 39 THR HN 17.47535 20.76649 -6.80048 MB 39 0.00000 610 39 THR CA 17.08448 22.48200 -5.61477 MB 39 0.00000 611 39 THR HA 16.19172 23.08173 -5.71741 MB 39 0.00000 612 39 THR CB 16.85543 21.65000 -4.35173 MB 39 0.00000 613 39 THR HB 16.76257 22.29935 -3.45846 MB 39 0.00000 614 39 THR OG1 18.01987 20.94000 -4.19650 MB 39 0.00000 615 39 THR HG1 17.99680 20.19338 -4.82463 MB 39 0.00000 616 39 THR CG2 15.67855 20.69400 -4.43844 MB 39 0.00000 617 39 THR HG21 15.76859 20.02908 -5.32327 MB 39 0.00000 618 39 THR HG22 14.72710 21.25898 -4.52918 MB 39 0.00000 619 39 THR HG23 15.62582 20.05956 -3.53121 MB 39 0.00000 620 39 THR C 18.23648 23.50000 -5.39101 MB 39 0.00000 621 39 THR O 18.02182 24.57900 -4.90098 MB 39 0.00000 622 40 LEU N 19.43593 23.06800 -5.77569 MB 40 0.00000 623 40 LEU HN 19.52781 22.13379 -6.11117 MB 40 0.00000 624 40 LEU CA 20.63779 23.87000 -5.82503 MB 40 0.00000 625 40 LEU HA 20.81139 24.20084 -4.81270 MB 40 0.00000 626 40 LEU CB 21.80418 23.00700 -6.37428 MB 40 0.00000 627 40 LEU HB1 21.55652 22.63264 -7.39040 MB 40 0.00000 628 40 LEU HB2 21.92126 22.11866 -5.71443 MB 40 0.00000 629 40 LEU CG 23.13244 23.74700 -6.43589 MB 40 0.00000 630 40 LEU HG 23.08642 24.60827 -7.13640 MB 40 0.00000 631 40 LEU CD1 23.30134 24.30200 -4.94423 MB 40 0.00000 632 40 LEU HD11 23.10350 23.50017 -4.20765 MB 40 0.00000 633 40 LEU HD12 22.65886 25.17687 -4.73930 MB 40 0.00000 634 40 LEU HD13 24.35157 24.63053 -4.81016 MB 40 0.00000 635 40 LEU CD2 24.38415 22.91400 -6.75833 MB 40 0.00000 636 40 LEU HD21 24.32737 22.52412 -7.79515 MB 40 0.00000 637 40 LEU HD22 24.46750 22.05465 -6.06039 MB 40 0.00000 638 40 LEU HD23 25.29968 23.53675 -6.66379 MB 40 0.00000 639 40 LEU C 20.47928 25.10400 -6.68172 MB 40 0.00000 640 40 LEU O 21.04355 26.15200 -6.33361 MB 40 0.00000 641 41 GLU N 19.80787 24.98000 -7.82320 MB 41 0.00000 642 41 GLU HN 19.47192 24.08928 -8.11907 MB 41 0.00000 643 41 GLU CA 19.45159 26.18300 -8.62654 MB 41 0.00000 644 41 GLU HA 20.38874 26.67699 -8.84578 MB 41 0.00000 645 41 GLU CB 18.81848 25.84400 -9.97368 MB 41 0.00000 646 41 GLU HB1 17.97603 26.55768 -10.17357 MB 41 0.00000 647 41 GLU HB2 18.33342 24.84093 -9.89522 MB 41 0.00000 648 41 GLU CG 19.66166 25.90600 -11.16169 MB 41 0.00000 649 41 GLU HG1 19.02485 25.82324 -12.07012 MB 41 0.00000 650 41 GLU HG2 20.24423 24.95116 -11.09320 MB 41 0.00000 651 41 GLU CD 20.72694 26.92300 -11.50019 MB 41 0.00000 652 41 GLU OE1 20.71209 28.15700 -11.76700 MB 41 0.00000 653 41 GLU OE2 21.94023 26.36800 -11.61795 MB 41 0.00000 654 41 GLU C 18.63198 27.26300 -7.91000 MB 41 0.00000 655 41 GLU O 18.87293 28.49600 -8.20165 MB 41 0.00000 656 42 LYS N 17.81945 26.98500 -6.89275 MB 42 0.00000 657 42 LYS HN 17.71927 26.03685 -6.59449 MB 42 0.00000 658 42 LYS CA 17.16507 27.97200 -6.05762 MB 42 0.00000 659 42 LYS HA 16.72230 28.70247 -6.71413 MB 42 0.00000 660 42 LYS CB 16.11595 27.32400 -5.11788 MB 42 0.00000 661 42 LYS HB1 15.69023 28.07224 -4.41693 MB 42 0.00000 662 42 LYS HB2 16.56606 26.49856 -4.53519 MB 42 0.00000 663 42 LYS CG 14.90319 26.76900 -6.04003 MB 42 0.00000 664 42 LYS HG1 14.16984 26.30160 -5.34790 MB 42 0.00000 665 42 LYS HG2 15.29797 25.99071 -6.72635 MB 42 0.00000 666 42 LYS CD 14.28535 27.91000 -6.78482 MB 42 0.00000 667 42 LYS HD1 14.97151 28.30385 -7.56838 MB 42 0.00000 668 42 LYS HD2 14.06921 28.73390 -6.06191 MB 42 0.00000 669 42 LYS CE 12.97058 27.50900 -7.49513 MB 42 0.00000 670 42 LYS HE1 12.24730 27.05037 -6.79375 MB 42 0.00000 671 42 LYS HE2 13.17241 26.82078 -8.33883 MB 42 0.00000 672 42 LYS NZ 12.32209 28.77400 -8.06916 MB 42 0.00000 673 42 LYS HZ1 13.05140 29.50257 -8.26757 MB 42 0.00000 674 42 LYS HZ2 11.66023 29.13207 -7.34469 MB 42 0.00000 675 42 LYS HZ3 11.80591 28.55499 -8.95387 MB 42 0.00000 676 42 LYS C 18.07167 28.83500 -5.17408 MB 42 0.00000 677 42 LYS O 17.53751 29.88400 -4.65304 MB 42 0.00000 678 43 PHE N 19.29982 28.46500 -5.02503 MB 43 0.00000 679 43 PHE HN 19.66178 27.64440 -5.46679 MB 43 0.00000 680 43 PHE CA 20.28165 29.26700 -4.21509 MB 43 0.00000 681 43 PHE HA 19.76545 30.03551 -3.66241 MB 43 0.00000 682 43 PHE CB 20.98381 28.28000 -3.24338 MB 43 0.00000 683 43 PHE HB1 21.73945 28.83054 -2.63993 MB 43 0.00000 684 43 PHE HB2 21.53666 27.52320 -3.84470 MB 43 0.00000 685 43 PHE CG 20.12679 27.50900 -2.32228 MB 43 0.00000 686 43 PHE CD1 19.95468 28.09500 -1.03161 MB 43 0.00000 687 43 PHE HD1 20.42949 29.04112 -0.81467 MB 43 0.00000 688 43 PHE CD2 19.55008 26.27600 -2.60187 MB 43 0.00000 689 43 PHE HD2 19.70310 25.82138 -3.56597 MB 43 0.00000 690 43 PHE CE1 19.20585 27.47800 -0.02054 MB 43 0.00000 691 43 PHE HE1 19.06029 27.93714 0.94204 MB 43 0.00000 692 43 PHE CE2 18.68540 25.65900 -1.64586 MB 43 0.00000 693 43 PHE HE2 18.18135 24.73715 -1.88879 MB 43 0.00000 694 43 PHE CZ 18.52005 26.24500 -0.38901 MB 43 0.00000 695 43 PHE HZ 17.88363 25.77267 0.34318 MB 43 0.00000 696 43 PHE C 21.38871 29.94600 -5.12731 MB 43 0.00000 697 43 PHE O 22.27542 29.23600 -5.51479 MB 43 0.00000 698 44 ASP N 21.24078 31.24100 -5.34705 MB 44 0.00000 699 44 ASP HN 20.46837 31.75286 -4.97745 MB 44 0.00000 700 44 ASP CA 22.20800 31.95000 -6.17838 MB 44 0.00000 701 44 ASP HA 22.39405 31.50583 -7.11646 MB 44 0.00000 702 44 ASP CB 21.79742 33.43100 -6.34047 MB 44 0.00000 703 44 ASP HB1 22.63370 34.04333 -6.73084 MB 44 0.00000 704 44 ASP HB2 21.40756 33.86753 -5.40469 MB 44 0.00000 705 44 ASP CG 20.67910 33.43100 -7.43857 MB 44 0.00000 706 44 ASP OD1 20.88427 32.96800 -8.56466 MB 44 0.00000 707 44 ASP OD2 19.55012 33.95500 -7.09389 MB 44 0.00000 708 44 ASP C 23.58547 31.79600 -5.47416 MB 44 0.00000 709 44 ASP O 24.63690 31.64200 -6.07957 MB 44 0.00000 710 45 ARG N 23.41435 31.85800 -4.18359 MB 45 0.00000 711 45 ARG HN 22.49856 31.99466 -3.80880 MB 45 0.00000 712 45 ARG CA 24.49295 31.73400 -3.21526 MB 45 0.00000 713 45 ARG HA 25.16606 32.57572 -3.31466 MB 45 0.00000 714 45 ARG CB 23.74653 31.76500 -1.86886 MB 45 0.00000 715 45 ARG HB1 23.20415 30.80588 -1.70988 MB 45 0.00000 716 45 ARG HB2 22.98645 32.57993 -1.87491 MB 45 0.00000 717 45 ARG CG 24.73744 32.04300 -0.75839 MB 45 0.00000 718 45 ARG HG1 24.99284 33.12786 -0.75244 MB 45 0.00000 719 45 ARG HG2 25.71319 31.53534 -0.94712 MB 45 0.00000 720 45 ARG CD 24.31629 31.58000 0.52329 MB 45 0.00000 721 45 ARG HD1 25.15203 31.01776 0.98866 MB 45 0.00000 722 45 ARG HD2 23.48844 30.83468 0.41193 MB 45 0.00000 723 45 ARG NE 23.84148 32.59800 1.40730 MB 45 0.00000 724 45 ARG HE 23.22560 33.30373 1.07145 MB 45 0.00000 725 45 ARG CZ 23.78532 32.35100 2.75402 MB 45 0.00000 726 45 ARG NH1 24.43381 31.36400 3.32806 MB 45 0.00000 727 45 ARG HH11 24.66174 31.56200 4.28711 MB 45 0.00000 728 45 ARG HH12 25.23497 31.08240 2.80036 MB 45 0.00000 729 45 ARG NH2 22.95894 33.09100 3.50437 MB 45 0.00000 730 45 ARG HH21 22.14674 33.45910 3.03204 MB 45 0.00000 731 45 ARG HH22 22.84393 32.79355 4.44544 MB 45 0.00000 732 45 ARG C 25.31150 30.43900 -3.22840 MB 45 0.00000 733 45 ARG O 26.48313 30.40800 -2.77146 MB 45 0.00000 734 46 PHE N 24.69507 29.32900 -3.63777 MB 46 0.00000 735 46 PHE HN 23.74662 29.31411 -3.94731 MB 46 0.00000 736 46 PHE CA 25.50129 28.03400 -3.58139 MB 46 0.00000 737 46 PHE HA 26.53494 28.17782 -3.30016 MB 46 0.00000 738 46 PHE CB 24.77067 26.98500 -2.67256 MB 46 0.00000 739 46 PHE HB1 25.34445 26.03571 -2.62426 MB 46 0.00000 740 46 PHE HB2 23.75136 26.77581 -3.05861 MB 46 0.00000 741 46 PHE CG 24.64505 27.50900 -1.28593 MB 46 0.00000 742 46 PHE CD1 25.84963 28.00300 -0.66540 MB 46 0.00000 743 46 PHE HD1 26.79012 28.00344 -1.19914 MB 46 0.00000 744 46 PHE CD2 23.49827 27.44800 -0.50349 MB 46 0.00000 745 46 PHE HD2 22.60947 27.01910 -0.94886 MB 46 0.00000 746 46 PHE CE1 25.81168 28.43400 0.57908 MB 46 0.00000 747 46 PHE HE1 26.71948 28.80891 1.03729 MB 46 0.00000 748 46 PHE CE2 23.39653 28.00300 0.74619 MB 46 0.00000 749 46 PHE HE2 22.46669 27.99473 1.29385 MB 46 0.00000 750 46 PHE CZ 24.60210 28.46500 1.36662 MB 46 0.00000 751 46 PHE HZ 24.61852 28.84233 2.37025 MB 46 0.00000 752 46 PHE C 25.49952 27.50900 -4.95565 MB 46 0.00000 753 46 PHE O 26.08049 26.39900 -5.04620 MB 46 0.00000 754 47 LYS N 24.93152 28.06400 -5.97354 MB 47 0.00000 755 47 LYS HN 24.39547 28.89193 -5.81654 MB 47 0.00000 756 47 LYS CA 24.85352 27.60200 -7.27408 MB 47 0.00000 757 47 LYS HA 24.22062 26.72594 -7.32435 MB 47 0.00000 758 47 LYS CB 24.33111 28.80500 -8.19492 MB 47 0.00000 759 47 LYS HB1 24.65926 28.71117 -9.25460 MB 47 0.00000 760 47 LYS HB2 24.73361 29.76076 -7.79801 MB 47 0.00000 761 47 LYS CG 22.82319 28.80500 -8.18319 MB 47 0.00000 762 47 LYS HG1 22.34133 28.30287 -7.33757 MB 47 0.00000 763 47 LYS HG2 22.70215 27.89982 -8.86251 MB 47 0.00000 764 47 LYS CD 22.01325 29.73000 -8.90934 MB 47 0.00000 765 47 LYS HD1 21.55872 30.55079 -8.34161 MB 47 0.00000 766 47 LYS HD2 21.06568 29.10915 -8.97151 MB 47 0.00000 767 47 LYS CE 22.15231 30.00700 -10.36458 MB 47 0.00000 768 47 LYS HE1 21.17363 29.94876 -10.86642 MB 47 0.00000 769 47 LYS HE2 22.98840 29.56208 -10.92232 MB 47 0.00000 770 47 LYS NZ 22.27971 31.58000 -10.37695 MB 47 0.00000 771 47 LYS HZ1 23.23599 31.88231 -10.07975 MB 47 0.00000 772 47 LYS HZ2 21.59841 32.03917 -9.71823 MB 47 0.00000 773 47 LYS HZ3 22.13399 31.94487 -11.34051 MB 47 0.00000 774 47 LYS C 26.17328 27.29300 -7.97185 MB 47 0.00000 775 47 LYS O 26.16715 26.58400 -8.97696 MB 47 0.00000 776 48 HSD N 27.21173 27.91000 -7.46882 MB 48 0.00000 777 48 HSD HN 27.12476 28.50388 -6.67385 MB 48 0.00000 778 48 HSD CA 28.56923 27.69400 -8.03662 MB 48 0.00000 779 48 HSD HA 28.47778 27.73379 -9.11391 MB 48 0.00000 780 48 HSD ND1 28.89804 29.45200 -5.35283 MB 48 0.00000 781 48 HSD HD1 28.12353 30.04101 -5.63973 MB 48 0.00000 782 48 HSD CG 29.80723 28.92800 -6.21269 MB 48 0.00000 783 48 HSD CB 29.50516 28.83500 -7.65827 MB 48 0.00000 784 48 HSD HB1 29.07634 29.80066 -8.00656 MB 48 0.00000 785 48 HSD HB2 30.42804 28.64319 -8.24349 MB 48 0.00000 786 48 HSD NE2 30.62371 28.80500 -4.14590 MB 48 0.00000 787 48 HSD CD2 30.85277 28.46500 -5.40894 MB 48 0.00000 788 48 HSD HD2 31.76948 27.96136 -5.69603 MB 48 0.00000 789 48 HSD CE1 29.36492 29.39100 -4.12419 MB 48 0.00000 790 48 HSD HE1 28.86935 29.79397 -3.23796 MB 48 0.00000 791 48 HSD C 29.20387 26.33700 -7.72949 MB 48 0.00000 792 48 HSD O 30.03691 25.87500 -8.51465 MB 48 0.00000 793 49 LEU N 28.82003 25.69000 -6.65338 MB 49 0.00000 794 49 LEU HN 28.10638 26.07587 -6.06929 MB 49 0.00000 795 49 LEU CA 29.35933 24.45600 -6.16921 MB 49 0.00000 796 49 LEU HA 30.43989 24.50000 -6.18218 MB 49 0.00000 797 49 LEU CB 28.79257 24.27100 -4.77293 MB 49 0.00000 798 49 LEU HB1 28.74631 23.16781 -4.58102 MB 49 0.00000 799 49 LEU HB2 27.72237 24.58458 -4.78402 MB 49 0.00000 800 49 LEU CG 29.44488 24.82600 -3.52813 MB 49 0.00000 801 49 LEU HG 29.69380 23.92958 -2.89294 MB 49 0.00000 802 49 LEU CD1 30.75352 25.44300 -3.82293 MB 49 0.00000 803 49 LEU HD11 30.61153 26.32058 -4.47869 MB 49 0.00000 804 49 LEU HD12 31.45312 24.76336 -4.34055 MB 49 0.00000 805 49 LEU HD13 31.24472 25.80229 -2.89034 MB 49 0.00000 806 49 LEU CD2 28.47190 25.62800 -2.66308 MB 49 0.00000 807 49 LEU HD21 27.55740 25.03841 -2.44344 MB 49 0.00000 808 49 LEU HD22 28.17878 26.55858 -3.19366 MB 49 0.00000 809 49 LEU HD23 28.95032 25.91637 -1.70229 MB 49 0.00000 810 49 LEU C 28.95856 23.31500 -7.06870 MB 49 0.00000 811 49 LEU O 27.76783 23.06800 -7.42232 MB 49 0.00000 812 50 LYS N 29.96591 22.54400 -7.43473 MB 50 0.00000 813 50 LYS HN 30.92679 22.73020 -7.15471 MB 50 0.00000 814 50 LYS CA 29.79355 21.55700 -8.55834 MB 50 0.00000 815 50 LYS HA 28.77212 21.54421 -8.89493 MB 50 0.00000 816 50 LYS CB 30.70142 21.80400 -9.75263 MB 50 0.00000 817 50 LYS HB1 30.67600 20.90149 -10.41058 MB 50 0.00000 818 50 LYS HB2 31.75032 21.93690 -9.40803 MB 50 0.00000 819 50 LYS CG 30.30542 23.00700 -10.68574 MB 50 0.00000 820 50 LYS HG1 30.89346 22.91898 -11.62813 MB 50 0.00000 821 50 LYS HG2 30.62473 23.94485 -10.17378 MB 50 0.00000 822 50 LYS CD 28.84735 23.03700 -10.94710 MB 50 0.00000 823 50 LYS HD1 28.24098 23.13835 -10.01964 MB 50 0.00000 824 50 LYS HD2 28.60276 22.03073 -11.37471 MB 50 0.00000 825 50 LYS CE 28.40676 24.05500 -11.97736 MB 50 0.00000 826 50 LYS HE1 27.63547 23.60037 -12.63880 MB 50 0.00000 827 50 LYS HE2 29.25437 24.40231 -12.60494 MB 50 0.00000 828 50 LYS NZ 27.78402 25.22700 -11.31309 MB 50 0.00000 829 50 LYS HZ1 28.51260 25.69102 -10.73446 MB 50 0.00000 830 50 LYS HZ2 26.99407 24.94760 -10.69992 MB 50 0.00000 831 50 LYS HZ3 27.44970 25.91583 -12.02656 MB 50 0.00000 832 50 LYS C 29.94398 20.16900 -8.00227 MB 50 0.00000 833 50 LYS O 29.35242 19.18200 -8.54868 MB 50 0.00000 834 51 THR N 30.75523 19.98400 -6.94168 MB 51 0.00000 835 51 THR HN 31.23092 20.73870 -6.49195 MB 51 0.00000 836 51 THR CA 31.05794 18.62700 -6.53502 MB 51 0.00000 837 51 THR HA 30.51314 17.88289 -7.08903 MB 51 0.00000 838 51 THR CB 32.59750 18.31900 -6.71761 MB 51 0.00000 839 51 THR HB 32.76848 17.27225 -6.36055 MB 51 0.00000 840 51 THR OG1 33.24740 19.21300 -5.80815 MB 51 0.00000 841 51 THR HG1 33.55068 19.93933 -6.37095 MB 51 0.00000 842 51 THR CG2 33.15849 18.44200 -8.08018 MB 51 0.00000 843 51 THR HG21 33.04459 19.47328 -8.48023 MB 51 0.00000 844 51 THR HG22 32.65129 17.73149 -8.76689 MB 51 0.00000 845 51 THR HG23 34.24068 18.18553 -8.08148 MB 51 0.00000 846 51 THR C 30.66984 18.47300 -5.08877 MB 51 0.00000 847 51 THR O 30.60310 19.46000 -4.37900 MB 51 0.00000 848 52 GLU N 30.58934 17.24000 -4.64491 MB 52 0.00000 849 52 GLU HN 30.69375 16.44083 -5.25542 MB 52 0.00000 850 52 GLU CA 30.33532 17.02400 -3.24583 MB 52 0.00000 851 52 GLU HA 29.42763 17.54140 -2.96418 MB 52 0.00000 852 52 GLU CB 30.21500 15.57400 -2.93274 MB 52 0.00000 853 52 GLU HB1 31.16874 15.03532 -3.14132 MB 52 0.00000 854 52 GLU HB2 29.46263 15.15411 -3.64548 MB 52 0.00000 855 52 GLU CG 29.76888 15.29700 -1.51501 MB 52 0.00000 856 52 GLU HG1 28.90404 15.94511 -1.24846 MB 52 0.00000 857 52 GLU HG2 30.62738 15.57372 -0.87479 MB 52 0.00000 858 52 GLU CD 29.40630 13.90900 -1.24472 MB 52 0.00000 859 52 GLU OE1 29.13166 13.53900 -0.07873 MB 52 0.00000 860 52 GLU OE2 29.33746 13.16900 -2.24374 MB 52 0.00000 861 52 GLU C 31.50249 17.61000 -2.42073 MB 52 0.00000 862 52 GLU O 31.31652 18.19600 -1.39697 MB 52 0.00000 863 53 ALA N 32.70870 17.33200 -2.83922 MB 53 0.00000 864 53 ALA HN 32.86885 16.77252 -3.65567 MB 53 0.00000 865 53 ALA CA 33.89508 17.88700 -2.11645 MB 53 0.00000 866 53 ALA HA 33.94498 17.46896 -1.12107 MB 53 0.00000 867 53 ALA CB 35.11709 17.51700 -2.97251 MB 53 0.00000 868 53 ALA HB1 35.06410 17.99804 -3.97210 MB 53 0.00000 869 53 ALA HB2 35.16015 16.41850 -3.12670 MB 53 0.00000 870 53 ALA HB3 36.06185 17.83358 -2.48236 MB 53 0.00000 871 53 ALA C 33.81894 19.36800 -2.04174 MB 53 0.00000 872 53 ALA O 34.17663 19.89200 -0.90297 MB 53 0.00000 873 54 GLU N 33.55701 20.13900 -3.02202 MB 54 0.00000 874 54 GLU HN 33.40394 19.72941 -3.92855 MB 54 0.00000 875 54 GLU CA 33.28967 21.58800 -2.92977 MB 54 0.00000 876 54 GLU HA 34.19188 22.06340 -2.57098 MB 54 0.00000 877 54 GLU CB 32.96840 22.17400 -4.27301 MB 54 0.00000 878 54 GLU HB1 32.37705 23.10495 -4.15409 MB 54 0.00000 879 54 GLU HB2 32.29263 21.45235 -4.79166 MB 54 0.00000 880 54 GLU CG 34.13915 22.54400 -5.19141 MB 54 0.00000 881 54 GLU HG1 34.92751 21.76370 -5.10989 MB 54 0.00000 882 54 GLU HG2 34.57663 23.52306 -4.91660 MB 54 0.00000 883 54 GLU CD 33.71645 22.57500 -6.65844 MB 54 0.00000 884 54 GLU OE1 34.45174 22.42100 -7.60189 MB 54 0.00000 885 54 GLU OE2 32.50651 22.79100 -6.90972 MB 54 0.00000 886 54 GLU C 32.22812 21.92700 -1.92149 MB 54 0.00000 887 54 GLU O 32.35257 22.94500 -1.22928 MB 54 0.00000 888 55 MET N 31.05123 21.24900 -2.00820 MB 55 0.00000 889 55 MET HN 30.90546 20.52069 -2.68389 MB 55 0.00000 890 55 MET CA 29.98968 21.52600 -0.99993 MB 55 0.00000 891 55 MET HA 29.63880 22.54105 -1.12426 MB 55 0.00000 892 55 MET CB 28.83767 20.50900 -1.22368 MB 55 0.00000 893 55 MET HB1 28.07148 20.64938 -0.43376 MB 55 0.00000 894 55 MET HB2 29.20039 19.46377 -1.24389 MB 55 0.00000 895 55 MET CG 28.26737 20.97100 -2.57591 MB 55 0.00000 896 55 MET HG1 29.00791 20.93607 -3.39713 MB 55 0.00000 897 55 MET HG2 27.86951 22.00615 -2.50597 MB 55 0.00000 898 55 MET SD 26.88553 19.73800 -2.91098 MB 55 0.00000 899 55 MET CE 26.56285 20.16900 -4.58966 MB 55 0.00000 900 55 MET HE1 27.46825 20.01716 -5.21636 MB 55 0.00000 901 55 MET HE2 26.26212 21.23520 -4.67692 MB 55 0.00000 902 55 MET HE3 25.74607 19.54549 -5.01317 MB 55 0.00000 903 55 MET C 30.48285 21.40300 0.42710 MB 55 0.00000 904 55 MET O 30.20022 22.20500 1.29346 MB 55 0.00000 905 56 LYS N 31.13002 20.29300 0.66670 MB 56 0.00000 906 56 LYS HN 31.24358 19.60970 -0.05983 MB 56 0.00000 907 56 LYS CA 31.83449 20.04600 1.97275 MB 56 0.00000 908 56 LYS HA 31.08105 20.03611 2.74897 MB 56 0.00000 909 56 LYS CB 32.42800 18.62700 1.81467 MB 56 0.00000 910 56 LYS HB1 33.29543 18.52394 2.50923 MB 56 0.00000 911 56 LYS HB2 32.80573 18.46626 0.78315 MB 56 0.00000 912 56 LYS CG 31.41388 17.57900 2.21451 MB 56 0.00000 913 56 LYS HG1 30.67879 17.47684 1.38599 MB 56 0.00000 914 56 LYS HG2 30.86664 17.88482 3.13563 MB 56 0.00000 915 56 LYS CD 32.17592 16.25300 2.50927 MB 56 0.00000 916 56 LYS HD1 32.36651 16.11594 3.59360 MB 56 0.00000 917 56 LYS HD2 33.16422 16.30982 1.99436 MB 56 0.00000 918 56 LYS CE 31.41147 15.11200 1.87918 MB 56 0.00000 919 56 LYS HE1 32.02497 14.27724 1.52999 MB 56 0.00000 920 56 LYS HE2 30.95123 15.51787 0.95781 MB 56 0.00000 921 56 LYS NZ 30.32940 14.55600 2.65535 MB 56 0.00000 922 56 LYS HZ1 29.70727 15.29618 3.02662 MB 56 0.00000 923 56 LYS HZ2 30.66977 13.97957 3.46131 MB 56 0.00000 924 56 LYS HZ3 29.74762 13.91206 2.06087 MB 56 0.00000 925 56 LYS C 32.82069 21.06400 2.41354 MB 56 0.00000 926 56 LYS O 32.85311 21.37200 3.61703 MB 56 0.00000 927 57 ALA N 33.54454 21.74200 1.53851 MB 57 0.00000 928 57 ALA HN 33.44329 21.49663 0.57431 MB 57 0.00000 929 57 ALA CA 34.50445 22.76000 1.78091 MB 57 0.00000 930 57 ALA HA 34.97121 22.53075 2.72899 MB 57 0.00000 931 57 ALA CB 35.63637 22.60600 0.73165 MB 57 0.00000 932 57 ALA HB1 35.24684 22.81532 -0.28750 MB 57 0.00000 933 57 ALA HB2 36.03483 21.57002 0.74606 MB 57 0.00000 934 57 ALA HB3 36.47018 23.30823 0.94401 MB 57 0.00000 935 57 ALA C 33.96887 24.11700 1.96652 MB 57 0.00000 936 57 ALA O 34.62413 25.01100 2.50674 MB 57 0.00000 937 58 SER N 32.71444 24.36400 1.61908 MB 58 0.00000 938 58 SER HN 32.15583 23.61219 1.26893 MB 58 0.00000 939 58 SER CA 31.99930 25.65900 1.75581 MB 58 0.00000 940 58 SER HA 32.67310 26.43109 1.40738 MB 58 0.00000 941 58 SER CB 30.72185 25.69000 0.83994 MB 58 0.00000 942 58 SER HB1 29.99750 24.90812 1.14387 MB 58 0.00000 943 58 SER HB2 31.00501 25.55285 -0.22538 MB 58 0.00000 944 58 SER OG 30.23754 27.04700 1.08789 MB 58 0.00000 945 58 SER HG1 30.92921 27.67181 0.76614 MB 58 0.00000 946 58 SER C 31.62932 25.99800 3.09884 MB 58 0.00000 947 58 SER O 30.75745 25.38100 3.75313 MB 58 0.00000 948 59 GLU N 32.21411 27.07800 3.67906 MB 59 0.00000 949 59 GLU HN 32.79031 27.71582 3.15088 MB 59 0.00000 950 59 GLU CA 31.89638 27.41700 5.08432 MB 59 0.00000 951 59 GLU HA 31.80787 26.52282 5.68543 MB 59 0.00000 952 59 GLU CB 32.92240 28.40400 5.65588 MB 59 0.00000 953 59 GLU HB1 32.89310 29.34874 5.06554 MB 59 0.00000 954 59 GLU HB2 33.93263 27.96725 5.47177 MB 59 0.00000 955 59 GLU CG 32.84127 28.74300 7.13865 MB 59 0.00000 956 59 GLU HG1 31.87365 29.26986 7.31126 MB 59 0.00000 957 59 GLU HG2 33.65465 29.46042 7.38122 MB 59 0.00000 958 59 GLU CD 32.91011 27.63300 8.13767 MB 59 0.00000 959 59 GLU OE1 32.57186 27.75600 9.31084 MB 59 0.00000 960 59 GLU OE2 33.31687 26.46100 7.62900 MB 59 0.00000 961 59 GLU C 30.58633 28.09500 5.04370 MB 59 0.00000 962 59 GLU O 29.79778 27.94100 5.92500 MB 59 0.00000 963 60 ASP N 30.26747 28.80500 4.03579 MB 60 0.00000 964 60 ASP HN 30.92027 28.89789 3.28143 MB 60 0.00000 965 60 ASP CA 28.97562 29.57600 3.89292 MB 60 0.00000 966 60 ASP HA 28.84262 30.19198 4.77213 MB 60 0.00000 967 60 ASP CB 28.89771 30.37700 2.59337 MB 60 0.00000 968 60 ASP HB1 28.75844 29.74895 1.69610 MB 60 0.00000 969 60 ASP HB2 29.83854 30.95248 2.46889 MB 60 0.00000 970 60 ASP CG 27.74811 31.45700 2.70495 MB 60 0.00000 971 60 ASP OD1 27.19156 31.54900 1.61864 MB 60 0.00000 972 60 ASP OD2 27.69522 32.13500 3.68163 MB 60 0.00000 973 60 ASP C 27.85667 28.52700 3.83374 MB 60 0.00000 974 60 ASP O 26.75975 28.80500 4.34310 MB 60 0.00000 975 61 LEU N 28.11442 27.47800 3.10443 MB 61 0.00000 976 61 LEU HN 28.96621 27.31887 2.59352 MB 61 0.00000 977 61 LEU CA 26.98303 26.43000 3.11378 MB 61 0.00000 978 61 LEU HA 26.06720 26.91229 2.81757 MB 61 0.00000 979 61 LEU CB 27.36109 25.41200 2.07138 MB 61 0.00000 980 61 LEU HB1 28.37100 25.01414 2.33261 MB 61 0.00000 981 61 LEU HB2 27.46579 25.94610 1.09633 MB 61 0.00000 982 61 LEU CG 26.45245 24.24000 1.89132 MB 61 0.00000 983 61 LEU HG 26.58112 23.54246 2.75784 MB 61 0.00000 984 61 LEU CD1 25.01977 24.67200 1.82944 MB 61 0.00000 985 61 LEU HD11 24.87097 25.41176 1.01235 MB 61 0.00000 986 61 LEU HD12 24.66169 25.11932 2.77873 MB 61 0.00000 987 61 LEU HD13 24.36934 23.79531 1.62205 MB 61 0.00000 988 61 LEU CD2 26.87270 23.50000 0.61073 MB 61 0.00000 989 61 LEU HD21 27.93625 23.18973 0.68681 MB 61 0.00000 990 61 LEU HD22 26.75861 24.16165 -0.27368 MB 61 0.00000 991 61 LEU HD23 26.24906 22.59390 0.46216 MB 61 0.00000 992 61 LEU C 26.73478 25.87500 4.47915 MB 61 0.00000 993 61 LEU O 25.63208 25.62800 5.02222 MB 61 0.00000 994 62 LYS N 27.79375 25.47400 5.21428 MB 62 0.00000 995 62 LYS HN 28.71045 25.50360 4.80759 MB 62 0.00000 996 62 LYS CA 27.72515 25.07300 6.62953 MB 62 0.00000 997 62 LYS HA 27.17859 24.14261 6.68566 MB 62 0.00000 998 62 LYS CB 29.20374 24.85700 7.12299 MB 62 0.00000 999 62 LYS HB1 29.77444 25.80676 7.04537 MB 62 0.00000 1000 62 LYS HB2 29.67654 24.13195 6.41997 MB 62 0.00000 1001 62 LYS CG 29.26345 24.33300 8.52478 MB 62 0.00000 1002 62 LYS HG1 28.53963 23.49263 8.63061 MB 62 0.00000 1003 62 LYS HG2 29.00750 25.11656 9.27061 MB 62 0.00000 1004 62 LYS CD 30.72152 23.77800 8.78614 MB 62 0.00000 1005 62 LYS HD1 31.39472 24.65488 8.89284 MB 62 0.00000 1006 62 LYS HD2 31.06475 23.18496 7.91215 MB 62 0.00000 1007 62 LYS CE 30.68456 22.88300 10.03053 MB 62 0.00000 1008 62 LYS HE1 30.56457 21.80949 9.78212 MB 62 0.00000 1009 62 LYS HE2 29.85309 23.20591 10.67494 MB 62 0.00000 1010 62 LYS NZ 31.91643 23.06800 10.84935 MB 62 0.00000 1011 62 LYS HZ1 32.24105 24.06657 10.79978 MB 62 0.00000 1012 62 LYS HZ2 32.65865 22.40956 10.50924 MB 62 0.00000 1013 62 LYS HZ3 31.71784 22.84041 11.85326 MB 62 0.00000 1014 62 LYS C 27.00698 26.06000 7.46984 MB 62 0.00000 1015 62 LYS O 26.27168 25.69000 8.41329 MB 62 0.00000 1016 63 LYS N 27.16611 27.35500 7.28761 MB 63 0.00000 1017 63 LYS HN 27.85643 27.64065 6.61874 MB 63 0.00000 1018 63 LYS CA 26.53084 28.43400 8.01941 MB 63 0.00000 1019 63 LYS HA 26.68539 28.29350 9.07860 MB 63 0.00000 1020 63 LYS CB 27.05247 29.79100 7.56589 MB 63 0.00000 1021 63 LYS HB1 26.21954 30.51918 7.77217 MB 63 0.00000 1022 63 LYS HB2 27.13099 29.78540 6.45300 MB 63 0.00000 1023 63 LYS CG 28.21265 30.47000 8.09127 MB 63 0.00000 1024 63 LYS HG1 29.14777 30.10339 7.59736 MB 63 0.00000 1025 63 LYS HG2 28.30090 30.15220 9.16602 MB 63 0.00000 1026 63 LYS CD 28.14895 31.95000 8.09745 MB 63 0.00000 1027 63 LYS HD1 28.67237 32.28032 9.03283 MB 63 0.00000 1028 63 LYS HD2 27.09104 32.28930 8.21177 MB 63 0.00000 1029 63 LYS CE 28.79425 32.69000 6.96180 MB 63 0.00000 1030 63 LYS HE1 28.27820 32.48497 6.00401 MB 63 0.00000 1031 63 LYS HE2 29.86249 32.44253 6.84678 MB 63 0.00000 1032 63 LYS NZ 28.68070 34.17100 7.24107 MB 63 0.00000 1033 63 LYS HZ1 29.28743 34.40596 8.06340 MB 63 0.00000 1034 63 LYS HZ2 27.70084 34.45399 7.45712 MB 63 0.00000 1035 63 LYS HZ3 29.02742 34.70804 6.42503 MB 63 0.00000 1036 63 LYS C 25.00907 28.40400 7.76423 MB 63 0.00000 1037 63 LYS O 24.20232 28.40400 8.74777 MB 63 0.00000 1038 64 HSD N 24.60489 28.28000 6.52950 MB 64 0.00000 1039 64 HSD HN 25.29102 28.26260 5.79836 MB 64 0.00000 1040 64 HSD CA 23.17180 28.15700 6.13209 MB 64 0.00000 1041 64 HSD HA 22.64851 28.95828 6.63552 MB 64 0.00000 1042 64 HSD ND1 20.84355 29.73000 4.78271 MB 64 0.00000 1043 64 HSD HD1 21.21193 30.45139 5.39007 MB 64 0.00000 1044 64 HSD CG 21.56304 28.65000 4.27683 MB 64 0.00000 1045 64 HSD CB 23.00290 28.37300 4.64043 MB 64 0.00000 1046 64 HSD HB1 23.38381 27.49392 4.07529 MB 64 0.00000 1047 64 HSD HB2 23.60095 29.25500 4.34202 MB 64 0.00000 1048 64 HSD NE2 19.51351 28.62000 3.47006 MB 64 0.00000 1049 64 HSD CD2 20.70860 27.91000 3.45453 MB 64 0.00000 1050 64 HSD HD2 20.84701 27.00118 2.89065 MB 64 0.00000 1051 64 HSD CE1 19.68446 29.66800 4.25823 MB 64 0.00000 1052 64 HSD HE1 18.89220 30.39957 4.45515 MB 64 0.00000 1053 64 HSD C 22.62520 26.86200 6.72166 MB 64 0.00000 1054 64 HSD O 21.48378 27.04700 7.13486 MB 64 0.00000 1055 65 GLY N 23.31546 25.75100 6.72197 MB 65 0.00000 1056 65 GLY HN 24.22021 25.72055 6.27924 MB 65 0.00000 1057 65 GLY CA 22.82012 24.54900 7.37388 MB 65 0.00000 1058 65 GLY HA1 23.60901 23.81234 7.35862 MB 65 0.00000 1059 65 GLY HA2 21.90970 24.22985 6.88673 MB 65 0.00000 1060 65 GLY C 22.49662 24.85700 8.81286 MB 65 0.00000 1061 65 GLY O 21.45763 24.30200 9.34975 MB 65 0.00000 1062 66 VAL N 23.23520 25.59700 9.58010 MB 66 0.00000 1063 66 VAL HN 24.09506 25.98853 9.24807 MB 66 0.00000 1064 66 VAL CA 22.79575 25.96700 10.96302 MB 66 0.00000 1065 66 VAL HA 22.50989 25.07675 11.49995 MB 66 0.00000 1066 66 VAL CB 23.98222 26.64600 11.68678 MB 66 0.00000 1067 66 VAL HB 24.33082 27.48288 11.03078 MB 66 0.00000 1068 66 VAL CG1 23.55530 27.29300 13.00218 MB 66 0.00000 1069 66 VAL HG11 23.07354 26.54497 13.66820 MB 66 0.00000 1070 66 VAL HG12 22.84629 28.12809 12.82996 MB 66 0.00000 1071 66 VAL HG13 24.44295 27.70464 13.52973 MB 66 0.00000 1072 66 VAL CG2 25.15234 25.69000 11.80730 MB 66 0.00000 1073 66 VAL HG21 25.55931 25.40795 10.81363 MB 66 0.00000 1074 66 VAL HG22 24.84354 24.77064 12.34772 MB 66 0.00000 1075 66 VAL HG23 25.97222 26.16521 12.38784 MB 66 0.00000 1076 66 VAL C 21.55517 26.86200 10.88249 MB 66 0.00000 1077 66 VAL O 20.59472 26.55300 11.68001 MB 66 0.00000 1078 67 THR N 21.53083 27.81800 9.97962 MB 67 0.00000 1079 67 THR HN 22.31321 28.01097 9.38166 MB 67 0.00000 1080 67 THR CA 20.34817 28.68100 9.92663 MB 67 0.00000 1081 67 THR HA 20.26298 29.13527 10.90408 MB 67 0.00000 1082 67 THR CB 20.27267 29.79100 8.96241 MB 67 0.00000 1083 67 THR HB 20.42359 29.39812 7.92424 MB 67 0.00000 1084 67 THR OG1 21.34844 30.74700 9.25988 MB 67 0.00000 1085 67 THR HG1 21.05555 31.17881 10.09341 MB 67 0.00000 1086 67 THR CG2 19.00811 30.59300 9.01784 MB 67 0.00000 1087 67 THR HG21 18.79871 30.97115 10.03882 MB 67 0.00000 1088 67 THR HG22 18.14013 29.99100 8.67816 MB 67 0.00000 1089 67 THR HG23 19.08106 31.47615 8.34295 MB 67 0.00000 1090 67 THR C 19.11436 27.72500 9.81229 MB 67 0.00000 1091 67 THR O 18.10832 27.91000 10.51276 MB 67 0.00000 1092 68 VAL N 19.21165 26.80000 8.93077 MB 68 0.00000 1093 68 VAL HN 20.03286 26.69807 8.36049 MB 68 0.00000 1094 68 VAL CA 17.95722 25.99800 8.58333 MB 68 0.00000 1095 68 VAL HA 17.15570 26.70420 8.41257 MB 68 0.00000 1096 68 VAL CB 18.13510 25.25800 7.25895 MB 68 0.00000 1097 68 VAL HB 19.06683 24.63723 7.35735 MB 68 0.00000 1098 68 VAL CG1 17.00230 24.33300 6.93286 MB 68 0.00000 1099 68 VAL HG11 16.05055 24.89623 6.85795 MB 68 0.00000 1100 68 VAL HG12 16.87677 23.53943 7.69972 MB 68 0.00000 1101 68 VAL HG13 17.17304 23.82938 5.95531 MB 68 0.00000 1102 68 VAL CG2 18.28225 26.12100 6.10434 MB 68 0.00000 1103 68 VAL HG21 19.16746 26.79205 6.18934 MB 68 0.00000 1104 68 VAL HG22 17.39184 26.77974 5.99660 MB 68 0.00000 1105 68 VAL HG23 18.42020 25.52743 5.17298 MB 68 0.00000 1106 68 VAL C 17.49724 25.16500 9.73415 MB 68 0.00000 1107 68 VAL O 16.34906 25.13500 10.18117 MB 68 0.00000 1108 69 LEU N 18.44603 24.42500 10.37951 MB 69 0.00000 1109 69 LEU HN 19.39916 24.48067 10.07180 MB 69 0.00000 1110 69 LEU CA 18.19069 23.50000 11.44416 MB 69 0.00000 1111 69 LEU HA 17.29939 22.94233 11.19800 MB 69 0.00000 1112 69 LEU CB 19.34837 22.54400 11.63320 MB 69 0.00000 1113 69 LEU HB1 19.15350 21.95302 12.56264 MB 69 0.00000 1114 69 LEU HB2 20.27836 23.13219 11.81386 MB 69 0.00000 1115 69 LEU CG 19.61047 21.55700 10.53474 MB 69 0.00000 1116 69 LEU HG 20.34870 22.03929 9.83684 MB 69 0.00000 1117 69 LEU CD1 20.20780 20.32400 11.04743 MB 69 0.00000 1118 69 LEU HD11 19.48472 19.74776 11.66709 MB 69 0.00000 1119 69 LEU HD12 21.09794 20.55151 11.67917 MB 69 0.00000 1120 69 LEU HD13 20.55709 19.67474 10.21876 MB 69 0.00000 1121 69 LEU CD2 18.38537 21.21800 9.68211 MB 69 0.00000 1122 69 LEU HD21 18.01007 22.10487 9.13172 MB 69 0.00000 1123 69 LEU HD22 17.56868 20.80668 10.31068 MB 69 0.00000 1124 69 LEU HD23 18.65712 20.45387 8.92260 MB 69 0.00000 1125 69 LEU C 17.83314 24.20900 12.71866 MB 69 0.00000 1126 69 LEU O 17.07057 23.65400 13.46382 MB 69 0.00000 1127 70 THR N 18.36436 25.38100 12.90220 MB 70 0.00000 1128 70 THR HN 19.10643 25.72792 12.31438 MB 70 0.00000 1129 70 THR CA 17.92359 26.27600 13.95069 MB 70 0.00000 1130 70 THR HA 17.98635 25.73314 14.88526 MB 70 0.00000 1131 70 THR CB 18.91415 27.50900 14.02232 MB 70 0.00000 1132 70 THR HB 18.97781 28.05585 13.06029 MB 70 0.00000 1133 70 THR OG1 20.04794 26.92300 14.34832 MB 70 0.00000 1134 70 THR HG1 19.96001 26.62323 15.26712 MB 70 0.00000 1135 70 THR CG2 18.39047 28.34200 15.17933 MB 70 0.00000 1136 70 THR HG21 18.21229 27.72198 16.08428 MB 70 0.00000 1137 70 THR HG22 17.44552 28.85996 14.91064 MB 70 0.00000 1138 70 THR HG23 19.12747 29.13220 15.44372 MB 70 0.00000 1139 70 THR C 16.43965 26.67700 13.82647 MB 70 0.00000 1140 70 THR O 15.74308 26.49200 14.89978 MB 70 0.00000 1141 71 ALA N 15.94789 27.10800 12.73487 MB 71 0.00000 1142 71 ALA HN 16.56681 27.21256 11.95455 MB 71 0.00000 1143 71 ALA CA 14.49559 27.44800 12.43979 MB 71 0.00000 1144 71 ALA HA 14.14885 28.20318 13.13099 MB 71 0.00000 1145 71 ALA CB 14.38463 27.87900 10.97566 MB 71 0.00000 1146 71 ALA HB1 14.73888 27.08437 10.28444 MB 71 0.00000 1147 71 ALA HB2 15.01662 28.77387 10.80019 MB 71 0.00000 1148 71 ALA HB3 13.33808 28.14162 10.70735 MB 71 0.00000 1149 71 ALA C 13.65305 26.21400 12.58889 MB 71 0.00000 1150 71 ALA O 12.48557 26.30700 13.13724 MB 71 0.00000 1151 72 LEU N 14.10999 25.04200 12.14165 MB 72 0.00000 1152 72 LEU HN 14.98490 25.00728 11.65030 MB 72 0.00000 1153 72 LEU CA 13.33782 23.77800 12.24975 MB 72 0.00000 1154 72 LEU HA 12.32106 24.01571 11.97070 MB 72 0.00000 1155 72 LEU CB 13.82408 22.69800 11.29732 MB 72 0.00000 1156 72 LEU HB1 14.89605 22.48868 11.52480 MB 72 0.00000 1157 72 LEU HB2 13.79842 23.11187 10.26243 MB 72 0.00000 1158 72 LEU CG 13.07022 21.37200 11.30418 MB 72 0.00000 1159 72 LEU HG 13.09721 20.91212 12.31956 MB 72 0.00000 1160 72 LEU CD1 11.64279 21.61900 10.87206 MB 72 0.00000 1161 72 LEU HD11 11.61038 22.13968 9.88965 MB 72 0.00000 1162 72 LEU HD12 11.09098 22.23188 11.61601 MB 72 0.00000 1163 72 LEU HD13 11.10175 20.65360 10.76517 MB 72 0.00000 1164 72 LEU CD2 13.75425 20.41600 10.29840 MB 72 0.00000 1165 72 LEU HD21 14.81315 20.24698 10.58356 MB 72 0.00000 1166 72 LEU HD22 13.72622 20.84990 9.27663 MB 72 0.00000 1167 72 LEU HD23 13.22879 19.43839 10.28476 MB 72 0.00000 1168 72 LEU C 13.27499 23.37700 13.63129 MB 72 0.00000 1169 72 LEU O 12.23590 22.94500 14.16718 MB 72 0.00000 1170 73 GLY N 14.39090 23.46900 14.39405 MB 73 0.00000 1171 73 GLY HN 15.25978 23.76426 13.98246 MB 73 0.00000 1172 73 GLY CA 14.45070 23.03700 15.79683 MB 73 0.00000 1173 73 GLY HA1 15.43003 23.28066 16.18144 MB 73 0.00000 1174 73 GLY HA2 14.21723 21.98239 15.84284 MB 73 0.00000 1175 73 GLY C 13.41979 23.77800 16.63434 MB 73 0.00000 1176 73 GLY O 12.68917 23.28400 17.54318 MB 73 0.00000 1177 74 ALA N 13.39917 25.10400 16.40124 MB 74 0.00000 1178 74 ALA HN 14.01089 25.51700 15.72220 MB 74 0.00000 1179 74 ALA CA 12.39323 25.99800 17.10271 MB 74 0.00000 1180 74 ALA HA 12.52766 25.91315 18.17264 MB 74 0.00000 1181 74 ALA CB 12.47373 27.44800 16.65886 MB 74 0.00000 1182 74 ALA HB1 12.38351 27.51895 15.55568 MB 74 0.00000 1183 74 ALA HB2 13.46516 27.87153 16.93438 MB 74 0.00000 1184 74 ALA HB3 11.69776 28.08904 17.13277 MB 74 0.00000 1185 74 ALA C 10.94670 25.62800 16.77392 MB 74 0.00000 1186 74 ALA O 10.14662 25.78200 17.72265 MB 74 0.00000 1187 75 ILE N 10.60145 25.32000 15.56662 MB 75 0.00000 1188 75 ILE HN 11.28146 25.37159 14.83385 MB 75 0.00000 1189 75 ILE CA 9.28909 24.82600 15.19166 MB 75 0.00000 1190 75 ILE HA 8.55428 25.54708 15.52051 MB 75 0.00000 1191 75 ILE CB 9.25526 24.70300 13.65273 MB 75 0.00000 1192 75 ILE HB 10.28047 24.45597 13.28390 MB 75 0.00000 1193 75 ILE CG2 8.33177 23.59300 13.20585 MB 75 0.00000 1194 75 ILE HG21 7.31759 23.70212 13.64687 MB 75 0.00000 1195 75 ILE HG22 8.73041 22.58184 13.42647 MB 75 0.00000 1196 75 ILE HG23 8.21701 23.63894 12.09982 MB 75 0.00000 1197 75 ILE CG1 8.85580 26.06000 13.08767 MB 75 0.00000 1198 75 ILE HG11 8.34051 26.66482 13.86216 MB 75 0.00000 1199 75 ILE HG12 8.07710 25.86458 12.30813 MB 75 0.00000 1200 75 ILE CD 9.91877 26.89200 12.41483 MB 75 0.00000 1201 75 ILE HD1 10.55505 26.27764 11.74265 MB 75 0.00000 1202 75 ILE HD2 10.53029 27.40233 13.18266 MB 75 0.00000 1203 75 ILE HD3 9.45042 27.69493 11.80209 MB 75 0.00000 1204 75 ILE C 8.90962 23.53100 15.89862 MB 75 0.00000 1205 75 ILE O 7.84565 23.43800 16.57156 MB 75 0.00000 1206 76 LEU N 9.68845 22.45200 15.75571 MB 76 0.00000 1207 76 LEU HN 10.51559 22.55547 15.19230 MB 76 0.00000 1208 76 LEU CA 9.57731 21.18700 16.37032 MB 76 0.00000 1209 76 LEU HA 8.69167 20.71362 15.97739 MB 76 0.00000 1210 76 LEU CB 10.82802 20.26200 16.04799 MB 76 0.00000 1211 76 LEU HB1 10.73078 19.34391 16.67453 MB 76 0.00000 1212 76 LEU HB2 11.75631 20.78393 16.37354 MB 76 0.00000 1213 76 LEU CG 10.96032 19.83000 14.62656 MB 76 0.00000 1214 76 LEU HG 11.39727 20.67469 14.03882 MB 76 0.00000 1215 76 LEU CD1 12.02134 18.68900 14.65820 MB 76 0.00000 1216 76 LEU HD11 11.64250 17.81617 15.22758 MB 76 0.00000 1217 76 LEU HD12 12.95931 19.04716 15.13438 MB 76 0.00000 1218 76 LEU HD13 12.26008 18.36044 13.62506 MB 76 0.00000 1219 76 LEU CD2 9.71601 19.36800 13.87626 MB 76 0.00000 1220 76 LEU HD21 8.98677 20.19588 13.75734 MB 76 0.00000 1221 76 LEU HD22 9.23000 18.52853 14.41705 MB 76 0.00000 1222 76 LEU HD23 9.99639 19.01030 12.86108 MB 76 0.00000 1223 76 LEU C 9.36778 21.24900 17.86556 MB 76 0.00000 1224 76 LEU O 8.45719 20.53900 18.38998 MB 76 0.00000 1225 77 LYS N 10.06176 22.20500 18.53565 MB 77 0.00000 1226 77 LYS HN 10.78776 22.75913 18.11875 MB 77 0.00000 1227 77 LYS CA 9.91703 22.20500 20.02560 MB 77 0.00000 1228 77 LYS HA 9.89974 21.19369 20.40817 MB 77 0.00000 1229 77 LYS CB 11.03970 23.00700 20.75455 MB 77 0.00000 1230 77 LYS HB1 10.79440 23.13826 21.83283 MB 77 0.00000 1231 77 LYS HB2 11.11519 24.01650 20.29341 MB 77 0.00000 1232 77 LYS CG 12.37463 22.29700 20.65814 MB 77 0.00000 1233 77 LYS HG1 12.58785 22.08209 19.58712 MB 77 0.00000 1234 77 LYS HG2 12.31780 21.30956 21.17439 MB 77 0.00000 1235 77 LYS CD 13.52228 23.09900 21.25104 MB 77 0.00000 1236 77 LYS HD1 13.51939 23.06870 22.35871 MB 77 0.00000 1237 77 LYS HD2 13.42265 24.14380 20.88650 MB 77 0.00000 1238 77 LYS CE 14.88077 22.51300 20.68314 MB 77 0.00000 1239 77 LYS HE1 14.74705 22.19845 19.62818 MB 77 0.00000 1240 77 LYS HE2 15.23163 21.65948 21.28992 MB 77 0.00000 1241 77 LYS NZ 15.94746 23.59300 20.68007 MB 77 0.00000 1242 77 LYS HZ1 16.25204 23.72858 21.67429 MB 77 0.00000 1243 77 LYS HZ2 15.62113 24.48700 20.24949 MB 77 0.00000 1244 77 LYS HZ3 16.76491 23.22722 20.13302 MB 77 0.00000 1245 77 LYS C 8.59585 22.85200 20.38793 MB 77 0.00000 1246 77 LYS O 8.37257 23.00700 21.61725 MB 77 0.00000 1247 78 LYS N 7.89379 23.31500 19.41722 MB 78 0.00000 1248 78 LYS HN 8.22698 23.29338 18.47419 MB 78 0.00000 1249 78 LYS CA 6.59182 23.99400 19.67722 MB 78 0.00000 1250 78 LYS HA 6.60218 24.44667 20.66042 MB 78 0.00000 1251 78 LYS CB 6.20826 25.01100 18.67559 MB 78 0.00000 1252 78 LYS HB1 5.14579 25.31179 18.88280 MB 78 0.00000 1253 78 LYS HB2 6.17993 24.54959 17.66225 MB 78 0.00000 1254 78 LYS CG 6.91096 26.27600 18.60738 MB 78 0.00000 1255 78 LYS HG1 6.52913 26.88389 17.74959 MB 78 0.00000 1256 78 LYS HG2 7.96443 26.00885 18.35281 MB 78 0.00000 1257 78 LYS CD 6.93760 27.17000 19.84459 MB 78 0.00000 1258 78 LYS HD1 7.12745 26.61338 20.78164 MB 78 0.00000 1259 78 LYS HD2 5.99368 27.74524 19.92006 MB 78 0.00000 1260 78 LYS CE 8.19508 28.06400 19.48844 MB 78 0.00000 1261 78 LYS HE1 8.32645 28.15046 18.38933 MB 78 0.00000 1262 78 LYS HE2 9.11900 27.63700 19.91246 MB 78 0.00000 1263 78 LYS NZ 7.97365 29.39100 20.01229 MB 78 0.00000 1264 78 LYS HZ1 7.74863 29.38517 21.02831 MB 78 0.00000 1265 78 LYS HZ2 7.25149 29.89873 19.45156 MB 78 0.00000 1266 78 LYS HZ3 8.86556 29.93326 19.86334 MB 78 0.00000 1267 78 LYS C 5.46043 22.94500 19.68656 MB 78 0.00000 1268 78 LYS O 4.31792 23.28400 20.09887 MB 78 0.00000 1269 79 LYS N 5.85375 21.77300 19.24650 MB 79 0.00000 1270 79 LYS HN 6.80992 21.60376 19.00241 MB 79 0.00000 1271 79 LYS CA 4.91446 20.60100 19.23720 MB 79 0.00000 1272 79 LYS HA 5.37922 19.81427 18.66285 MB 79 0.00000 1273 79 LYS CB 4.77530 20.13900 20.69145 MB 79 0.00000 1274 79 LYS HB1 4.08139 19.27540 20.74993 MB 79 0.00000 1275 79 LYS HB2 4.41005 20.96428 21.33383 MB 79 0.00000 1276 79 LYS CG 6.25499 19.67600 21.18581 MB 79 0.00000 1277 79 LYS HG1 7.03857 20.40972 20.91707 MB 79 0.00000 1278 79 LYS HG2 6.50030 18.70128 20.71699 MB 79 0.00000 1279 79 LYS CD 6.16709 19.58300 22.70240 MB 79 0.00000 1280 79 LYS HD1 6.07993 20.60317 23.14176 MB 79 0.00000 1281 79 LYS HD2 7.13049 19.14387 23.05459 MB 79 0.00000 1282 79 LYS CE 5.01313 18.72000 23.18313 MB 79 0.00000 1283 79 LYS HE1 4.92095 17.82390 22.52709 MB 79 0.00000 1284 79 LYS HE2 4.04902 19.27104 23.16143 MB 79 0.00000 1285 79 LYS NZ 5.20034 18.19600 24.57355 MB 79 0.00000 1286 79 LYS HZ1 4.46645 18.56369 25.21030 MB 79 0.00000 1287 79 LYS HZ2 6.16284 18.36099 24.95890 MB 79 0.00000 1288 79 LYS HZ3 5.08948 17.16284 24.53949 MB 79 0.00000 1289 79 LYS C 3.59392 20.94000 18.56061 MB 79 0.00000 1290 79 LYS O 2.57545 20.72400 19.32960 MB 79 0.00000 1291 80 GLY N 3.62511 21.40300 17.34994 MB 80 0.00000 1292 80 GLY HN 4.45485 21.53546 16.79391 MB 80 0.00000 1293 80 GLY CA 2.15905 21.65000 16.78895 MB 80 0.00000 1294 80 GLY HA1 1.40648 21.07449 17.31081 MB 80 0.00000 1295 80 GLY HA2 2.18217 21.43290 15.73182 MB 80 0.00000 1296 80 GLY C 1.82035 23.13000 16.92229 MB 80 0.00000 1297 80 GLY O 1.18289 23.62300 15.94430 MB 80 0.00000 1298 81 HSP N 2.13921 23.87000 17.93020 MB 81 0.00000 1299 81 HSP HN 2.71899 23.45260 18.63051 MB 81 0.00000 1300 81 HSP CA 1.71293 25.22700 18.20668 MB 81 0.00000 1301 81 HSP HA 0.76228 25.41886 17.72222 MB 81 0.00000 1302 81 HSP ND1 1.29355 23.37700 20.86262 MB 81 0.00000 1303 81 HSP HD1 2.26024 23.09042 20.89734 MB 81 0.00000 1304 81 HSP NE2 -0.89744 23.43800 21.17575 MB 81 0.00000 1305 81 HSP HE2 -1.79941 23.12439 21.47534 MB 81 0.00000 1306 81 HSP CE1 0.26024 22.76000 21.36479 MB 81 0.00000 1307 81 HSP HE1 0.31332 21.79489 21.85378 MB 81 0.00000 1308 81 HSP CD2 -0.59420 24.61000 20.54249 MB 81 0.00000 1309 81 HSP HD2 -1.30843 25.37034 20.24834 MB 81 0.00000 1310 81 HSP CG 0.81696 24.57900 20.37237 MB 81 0.00000 1311 81 HSP CB 1.63180 25.56600 19.68945 MB 81 0.00000 1312 81 HSP HB1 1.18922 26.57518 19.83595 MB 81 0.00000 1313 81 HSP HB2 2.63426 25.54916 20.17433 MB 81 0.00000 1314 81 HSP C 2.76436 26.18300 17.60127 MB 81 0.00000 1315 81 HSP O 3.37544 26.98500 18.37988 MB 81 0.00000 1316 82 HSD N 2.99351 25.96700 16.33923 MB 82 0.00000 1317 82 HSD HN 2.48103 25.28911 15.80426 MB 82 0.00000 1318 82 HSD CA 4.10864 26.67700 15.72764 MB 82 0.00000 1319 82 HSD HA 4.77415 27.13084 16.45037 MB 82 0.00000 1320 82 HSD ND1 4.40575 23.40800 14.08927 MB 82 0.00000 1321 82 HSD HD1 5.08388 22.95008 14.68188 MB 82 0.00000 1322 82 HSD CG 4.09869 24.70300 14.05176 MB 82 0.00000 1323 82 HSD CB 4.88375 25.65900 14.91495 MB 82 0.00000 1324 82 HSD HB1 5.43724 25.03737 15.65681 MB 82 0.00000 1325 82 HSD HB2 5.67652 26.13070 14.29318 MB 82 0.00000 1326 82 HSD NE2 2.78686 23.65400 12.63687 MB 82 0.00000 1327 82 HSD CD2 3.07713 24.91900 13.11206 MB 82 0.00000 1328 82 HSD HD2 2.58404 25.81509 12.77145 MB 82 0.00000 1329 82 HSD CE1 3.62178 22.79100 13.22698 MB 82 0.00000 1330 82 HSD HE1 3.64090 21.71610 13.03400 MB 82 0.00000 1331 82 HSD C 3.64984 27.78700 14.79962 MB 82 0.00000 1332 82 HSD O 4.44316 28.06400 13.88470 MB 82 0.00000 1333 83 GLU N 2.55150 28.37300 14.97354 MB 83 0.00000 1334 83 GLU HN 1.90511 28.09494 15.67718 MB 83 0.00000 1335 83 GLU CA 2.05965 29.23600 13.88095 MB 83 0.00000 1336 83 GLU HA 2.17810 28.70992 12.94000 MB 83 0.00000 1337 83 GLU CB 0.52586 29.51400 14.02982 MB 83 0.00000 1338 83 GLU HB1 -0.00861 28.78221 13.37753 MB 83 0.00000 1339 83 GLU HB2 0.28958 30.51710 13.60600 MB 83 0.00000 1340 83 GLU CG -0.03513 29.42100 15.39239 MB 83 0.00000 1341 83 GLU HG1 -1.03189 29.93622 15.32965 MB 83 0.00000 1342 83 GLU HG2 0.56928 30.06389 16.07105 MB 83 0.00000 1343 83 GLU CD -0.35091 28.15700 16.09318 MB 83 0.00000 1344 83 GLU OE1 -0.13306 27.97200 17.31284 MB 83 0.00000 1345 83 GLU OE2 -0.90505 27.23200 15.34220 MB 83 0.00000 1346 83 GLU C 2.83858 30.47000 13.73903 MB 83 0.00000 1347 83 GLU O 3.04943 30.93300 12.57823 MB 83 0.00000 1348 84 ALA N 3.33611 31.05600 14.79692 MB 84 0.00000 1349 84 ALA HN 3.23146 30.64626 15.69691 MB 84 0.00000 1350 84 ALA CA 4.10251 32.35100 14.72253 MB 84 0.00000 1351 84 ALA HA 3.55834 32.99754 14.04778 MB 84 0.00000 1352 84 ALA CB 4.24412 33.09100 16.01590 MB 84 0.00000 1353 84 ALA HB1 4.83739 32.49972 16.75101 MB 84 0.00000 1354 84 ALA HB2 3.24700 33.29279 16.46310 MB 84 0.00000 1355 84 ALA HB3 4.75752 34.06786 15.86670 MB 84 0.00000 1356 84 ALA C 5.41551 32.07400 14.05858 MB 84 0.00000 1357 84 ALA O 5.86535 32.93700 13.31062 MB 84 0.00000 1358 85 GLU N 5.98645 30.93300 14.37188 MB 85 0.00000 1359 85 GLU HN 5.64126 30.32433 15.09225 MB 85 0.00000 1360 85 GLU CA 7.29268 30.56200 13.74174 MB 85 0.00000 1361 85 GLU HA 7.98776 31.38263 13.84269 MB 85 0.00000 1362 85 GLU CB 7.85936 29.26700 14.42519 MB 85 0.00000 1363 85 GLU HB1 8.79918 28.95513 13.91374 MB 85 0.00000 1364 85 GLU HB2 7.11624 28.44317 14.35664 MB 85 0.00000 1365 85 GLU CG 8.21936 29.51400 15.89831 MB 85 0.00000 1366 85 GLU HG1 9.00194 30.30200 15.95495 MB 85 0.00000 1367 85 GLU HG2 8.65499 28.58024 16.31159 MB 85 0.00000 1368 85 GLU CD 7.05437 29.91500 16.78299 MB 85 0.00000 1369 85 GLU OE1 5.92299 29.42100 16.79234 MB 85 0.00000 1370 85 GLU OE2 7.40389 30.87100 17.62014 MB 85 0.00000 1371 85 GLU C 7.24074 30.16200 12.30605 MB 85 0.00000 1372 85 GLU O 8.19442 30.43900 11.54234 MB 85 0.00000 1373 86 LEU N 6.17731 29.45200 11.93907 MB 86 0.00000 1374 86 LEU HN 5.50025 29.18579 12.62921 MB 86 0.00000 1375 86 LEU CA 5.97776 28.95900 10.61816 MB 86 0.00000 1376 86 LEU HA 6.88690 28.47200 10.28919 MB 86 0.00000 1377 86 LEU CB 4.83484 27.91000 10.69494 MB 86 0.00000 1378 86 LEU HB1 3.90384 28.40700 11.05519 MB 86 0.00000 1379 86 LEU HB2 5.13641 27.22020 11.52317 MB 86 0.00000 1380 86 LEU CG 4.54662 27.10800 9.51627 MB 86 0.00000 1381 86 LEU HG 5.40490 27.13698 8.80206 MB 86 0.00000 1382 86 LEU CD1 4.33872 25.65900 9.97249 MB 86 0.00000 1383 86 LEU HD11 3.46274 25.58509 10.64926 MB 86 0.00000 1384 86 LEU HD12 5.23362 25.27252 10.50345 MB 86 0.00000 1385 86 LEU HD13 4.14657 25.00000 9.09845 MB 86 0.00000 1386 86 LEU CD2 3.23852 27.54000 8.77116 MB 86 0.00000 1387 86 LEU HD21 3.33662 28.57989 8.39929 MB 86 0.00000 1388 86 LEU HD22 2.37036 27.47864 9.45937 MB 86 0.00000 1389 86 LEU HD23 3.05361 26.86781 7.91106 MB 86 0.00000 1390 86 LEU C 5.65880 30.03800 9.60926 MB 86 0.00000 1391 86 LEU O 6.11301 29.97600 8.49215 MB 86 0.00000 1392 87 LYS N 4.83111 30.99400 10.02517 MB 87 0.00000 1393 87 LYS HN 4.48681 30.97473 10.96424 MB 87 0.00000 1394 87 LYS CA 4.35888 32.07400 9.16577 MB 87 0.00000 1395 87 LYS HA 3.73280 31.58371 8.43284 MB 87 0.00000 1396 87 LYS CB 3.45636 33.06000 9.99082 MB 87 0.00000 1397 87 LYS HB1 3.87874 33.93542 10.46845 MB 87 0.00000 1398 87 LYS HB2 2.95711 32.47810 10.79129 MB 87 0.00000 1399 87 LYS CG 2.37101 33.58500 9.05630 MB 87 0.00000 1400 87 LYS HG1 1.38750 33.15142 9.34306 MB 87 0.00000 1401 87 LYS HG2 2.56485 33.32461 7.99162 MB 87 0.00000 1402 87 LYS CD 2.34613 35.12700 9.19335 MB 87 0.00000 1403 87 LYS HD1 3.28443 35.52161 8.73643 MB 87 0.00000 1404 87 LYS HD2 2.34993 35.43012 10.26356 MB 87 0.00000 1405 87 LYS CE 1.15975 35.71300 8.47058 MB 87 0.00000 1406 87 LYS HE1 0.92719 35.19574 7.51901 MB 87 0.00000 1407 87 LYS HE2 1.35341 36.78953 8.28786 MB 87 0.00000 1408 87 LYS NZ -0.06902 35.65100 9.36045 MB 87 0.00000 1409 87 LYS HZ1 0.22596 35.42331 10.33829 MB 87 0.00000 1410 87 LYS HZ2 -0.71303 34.89244 9.04785 MB 87 0.00000 1411 87 LYS HZ3 -0.59630 36.56065 9.36235 MB 87 0.00000 1412 87 LYS C 5.31355 32.84500 8.40197 MB 87 0.00000 1413 87 LYS O 5.23564 32.90600 7.10241 MB 87 0.00000 1414 88 PRO N 6.33380 33.46100 9.00723 MB 88 0.00000 1415 88 PRO CA 7.33884 34.20200 8.30686 MB 88 0.00000 1416 88 PRO HA 6.83900 34.97163 7.73531 MB 88 0.00000 1417 88 PRO CD 6.38007 33.70800 10.47764 MB 88 0.00000 1418 88 PRO HD1 6.69706 32.76696 10.98366 MB 88 0.00000 1419 88 PRO HD2 5.51535 34.14250 10.98753 MB 88 0.00000 1420 88 PRO CB 8.27173 34.78800 9.38880 MB 88 0.00000 1421 88 PRO HB1 8.61549 35.81044 9.13193 MB 88 0.00000 1422 88 PRO HB2 9.16191 34.13762 9.54712 MB 88 0.00000 1423 88 PRO CG 7.41612 34.75700 10.64533 MB 88 0.00000 1424 88 PRO HG1 7.99177 34.52158 11.55081 MB 88 0.00000 1425 88 PRO HG2 6.92920 35.74830 10.76146 MB 88 0.00000 1426 88 PRO C 8.08189 33.33800 7.32951 MB 88 0.00000 1427 88 PRO O 8.52933 33.67700 6.24621 MB 88 0.00000 1428 89 LEU N 8.25610 32.10400 7.74763 MB 89 0.00000 1429 89 LEU HN 7.87802 31.84074 8.63036 MB 89 0.00000 1430 89 LEU CA 8.95508 31.02500 7.00965 MB 89 0.00000 1431 89 LEU HA 9.90241 31.42766 6.67909 MB 89 0.00000 1432 89 LEU CB 9.26150 30.00700 8.08608 MB 89 0.00000 1433 89 LEU HB1 8.32398 29.50127 8.39536 MB 89 0.00000 1434 89 LEU HB2 9.66383 30.52054 8.99069 MB 89 0.00000 1435 89 LEU CG 10.21859 28.95900 7.65762 MB 89 0.00000 1436 89 LEU HG 11.26335 29.36306 7.70667 MB 89 0.00000 1437 89 LEU CD1 10.12130 27.72500 8.53914 MB 89 0.00000 1438 89 LEU HD11 9.10403 27.28207 8.47807 MB 89 0.00000 1439 89 LEU HD12 10.32738 27.98913 9.59842 MB 89 0.00000 1440 89 LEU HD13 10.85755 26.95626 8.22078 MB 89 0.00000 1441 89 LEU CD2 9.96778 28.46500 6.27438 MB 89 0.00000 1442 89 LEU HD21 10.32827 29.18114 5.51778 MB 89 0.00000 1443 89 LEU HD22 8.90334 28.20004 6.10023 MB 89 0.00000 1444 89 LEU HD23 10.56370 27.54145 6.08960 MB 89 0.00000 1445 89 LEU C 8.23917 30.71700 5.77203 MB 89 0.00000 1446 89 LEU O 8.82077 30.68600 4.64256 MB 89 0.00000 1447 90 ALA N 6.90991 30.56200 5.83373 MB 90 0.00000 1448 90 ALA HN 6.43912 30.56985 6.71873 MB 90 0.00000 1449 90 ALA CA 6.13597 30.16200 4.56758 MB 90 0.00000 1450 90 ALA HA 6.69380 29.38056 4.06759 MB 90 0.00000 1451 90 ALA CB 4.80912 29.60600 4.96462 MB 90 0.00000 1452 90 ALA HB1 4.19344 30.37680 5.47923 MB 90 0.00000 1453 90 ALA HB2 4.94528 28.75340 5.66667 MB 90 0.00000 1454 90 ALA HB3 4.24952 29.23429 4.07764 MB 90 0.00000 1455 90 ALA C 6.11740 31.33300 3.63099 MB 90 0.00000 1456 90 ALA O 6.28374 31.24100 2.37404 MB 90 0.00000 1457 91 GLN N 6.06419 32.53600 4.27314 MB 91 0.00000 1458 91 GLN HN 6.01464 32.58741 5.27293 MB 91 0.00000 1459 91 GLN CA 5.95117 33.80100 3.51250 MB 91 0.00000 1460 91 GLN HA 5.07257 33.75093 2.88396 MB 91 0.00000 1461 91 GLN CB 5.76521 34.91100 4.53625 MB 91 0.00000 1462 91 GLN HB1 6.13212 35.88025 4.12151 MB 91 0.00000 1463 91 GLN HB2 6.35112 34.69782 5.45281 MB 91 0.00000 1464 91 GLN CG 4.25870 35.12700 4.88342 MB 91 0.00000 1465 91 GLN HG1 3.84295 34.15987 5.24259 MB 91 0.00000 1466 91 GLN HG2 3.73009 35.39910 3.94240 MB 91 0.00000 1467 91 GLN CD 3.94443 36.17500 5.92063 MB 91 0.00000 1468 91 GLN OE1 4.76005 36.76100 6.61207 MB 91 0.00000 1469 91 GLN NE2 2.66067 36.45300 6.07839 MB 91 0.00000 1470 91 GLN HE21 1.99260 35.90721 5.57145 MB 91 0.00000 1471 91 GLN HE22 2.46861 37.39550 6.37023 MB 91 0.00000 1472 91 GLN C 7.12769 34.04700 2.56038 MB 91 0.00000 1473 91 GLN O 7.09627 34.35600 1.35679 MB 91 0.00000 1474 92 SER N 8.39120 33.80100 3.20835 MB 92 0.00000 1475 92 SER HN 8.44934 33.51511 4.17002 MB 92 0.00000 1476 92 SER CA 9.64627 34.01700 2.51686 MB 92 0.00000 1477 92 SER HA 9.59029 34.97104 2.01192 MB 92 0.00000 1478 92 SER CB 10.69422 34.14000 3.65595 MB 92 0.00000 1479 92 SER HB1 10.30934 34.82575 4.44345 MB 92 0.00000 1480 92 SER HB2 11.61166 34.60766 3.22736 MB 92 0.00000 1481 92 SER OG 11.08791 32.90600 4.25472 MB 92 0.00000 1482 92 SER HG1 11.98190 33.00548 4.66276 MB 92 0.00000 1483 92 SER C 9.89594 32.99900 1.48692 MB 92 0.00000 1484 92 SER O 10.29221 33.30700 0.34229 MB 92 0.00000 1485 93 HSD N 9.52659 31.73400 1.79103 MB 93 0.00000 1486 93 HSD HN 9.19975 31.52362 2.71547 MB 93 0.00000 1487 93 HSD CA 9.75805 30.62400 0.86333 MB 93 0.00000 1488 93 HSD HA 10.73375 30.78472 0.43808 MB 93 0.00000 1489 93 HSD ND1 11.41512 30.00700 3.48551 MB 93 0.00000 1490 93 HSD HD1 10.83965 30.74153 3.86236 MB 93 0.00000 1491 93 HSD CG 11.17907 29.20500 2.36809 MB 93 0.00000 1492 93 HSD CB 9.87773 29.29800 1.58916 MB 93 0.00000 1493 93 HSD HB1 9.86550 28.45588 0.86450 MB 93 0.00000 1494 93 HSD HB2 9.01991 29.16064 2.28453 MB 93 0.00000 1495 93 HSD NE2 13.17166 28.74300 3.14723 MB 93 0.00000 1496 93 HSD CD2 12.29561 28.40400 2.09193 MB 93 0.00000 1497 93 HSD HD2 12.47410 27.62195 1.38503 MB 93 0.00000 1498 93 HSD CE1 12.65811 29.66800 3.90137 MB 93 0.00000 1499 93 HSD HE1 13.16537 30.15589 4.73994 MB 93 0.00000 1500 93 HSD C 8.83750 30.68600 -0.28812 MB 93 0.00000 1501 93 HSD O 9.22800 30.47000 -1.39905 MB 93 0.00000 1502 94 ALA N 7.51642 30.96300 0.07520 MB 94 0.00000 1503 94 ALA HN 7.15506 31.09988 1.00636 MB 94 0.00000 1504 94 ALA CA 6.61508 31.05600 -1.17859 MB 94 0.00000 1505 94 ALA HA 6.75574 30.15913 -1.76395 MB 94 0.00000 1506 94 ALA CB 5.15407 31.08700 -0.73537 MB 94 0.00000 1507 94 ALA HB1 4.92768 32.03096 -0.19239 MB 94 0.00000 1508 94 ALA HB2 4.94406 30.26919 -0.03433 MB 94 0.00000 1509 94 ALA HB3 4.46539 31.00452 -1.59952 MB 94 0.00000 1510 94 ALA C 6.96150 32.22800 -2.05013 MB 94 0.00000 1511 94 ALA O 6.99278 32.19700 -3.25981 MB 94 0.00000 1512 95 THR N 7.02893 33.40000 -1.38654 MB 95 0.00000 1513 95 THR HN 6.96849 33.43652 -0.38638 MB 95 0.00000 1514 95 THR CA 7.15927 34.69500 -2.10348 MB 95 0.00000 1515 95 THR HA 6.70689 34.55604 -3.07533 MB 95 0.00000 1516 95 THR CB 6.29317 35.83600 -1.48291 MB 95 0.00000 1517 95 THR HB 6.21705 36.66613 -2.21633 MB 95 0.00000 1518 95 THR OG1 6.97136 36.36000 -0.37525 MB 95 0.00000 1519 95 THR HG1 6.97905 35.65619 0.30057 MB 95 0.00000 1520 95 THR CG2 4.84469 35.40400 -1.10722 MB 95 0.00000 1521 95 THR HG21 4.85749 34.54453 -0.40781 MB 95 0.00000 1522 95 THR HG22 4.27086 35.14550 -2.00995 MB 95 0.00000 1523 95 THR HG23 4.35744 36.25380 -0.59708 MB 95 0.00000 1524 95 THR C 8.53171 35.18800 -2.40348 MB 95 0.00000 1525 95 THR O 8.59028 35.86700 -3.41487 MB 95 0.00000 1526 96 LYS N 9.50778 34.94200 -1.55983 MB 96 0.00000 1527 96 LYS HN 9.43207 34.41475 -0.71121 MB 96 0.00000 1528 96 LYS CA 10.90510 35.46600 -1.99686 MB 96 0.00000 1529 96 LYS HA 10.79093 36.28209 -2.69804 MB 96 0.00000 1530 96 LYS CB 11.49361 36.08300 -0.74687 MB 96 0.00000 1531 96 LYS HB1 11.93940 35.26709 -0.12695 MB 96 0.00000 1532 96 LYS HB2 10.66596 36.51740 -0.13460 MB 96 0.00000 1533 96 LYS CG 12.53501 37.16200 -0.94842 MB 96 0.00000 1534 96 LYS HG1 12.95008 37.07915 -1.98073 MB 96 0.00000 1535 96 LYS HG2 13.38449 36.97901 -0.24604 MB 96 0.00000 1536 96 LYS CD 11.98600 38.55000 -0.69420 MB 96 0.00000 1537 96 LYS HD1 11.74877 38.66955 0.38855 MB 96 0.00000 1538 96 LYS HD2 11.02794 38.64896 -1.25884 MB 96 0.00000 1539 96 LYS CE 12.94885 39.62900 -1.15638 MB 96 0.00000 1540 96 LYS HE1 13.22415 39.45539 -2.22195 MB 96 0.00000 1541 96 LYS HE2 13.87897 39.60979 -0.54582 MB 96 0.00000 1542 96 LYS NZ 12.36779 40.98600 -1.06682 MB 96 0.00000 1543 96 LYS HZ1 12.23288 41.21713 -0.06298 MB 96 0.00000 1544 96 LYS HZ2 11.43279 41.06286 -1.52620 MB 96 0.00000 1545 96 LYS HZ3 13.01335 41.70575 -1.49111 MB 96 0.00000 1546 96 LYS C 11.66767 34.38700 -2.74202 MB 96 0.00000 1547 96 LYS O 12.12188 34.51000 -3.85913 MB 96 0.00000 1548 97 HSE N 11.62700 33.15300 -2.16740 MB 97 0.00000 1549 97 HSE HN 11.20535 33.06609 -1.26096 MB 97 0.00000 1550 97 HSE CA 12.58308 32.10400 -2.59577 MB 97 0.00000 1551 97 HSE HA 13.46825 32.55858 -3.02387 MB 97 0.00000 1552 97 HSE NE2 14.11585 32.87500 1.74746 MB 97 0.00000 1553 97 HSE HE2 14.26023 33.00877 2.74773 MB 97 0.00000 1554 97 HSE CD2 13.42186 31.91900 1.07737 MB 97 0.00000 1555 97 HSE HD2 12.90358 31.12356 1.59102 MB 97 0.00000 1556 97 HSE ND1 14.33309 33.18400 -0.48597 MB 97 0.00000 1557 97 HSE CG 13.54172 32.10400 -0.27553 MB 97 0.00000 1558 97 HSE CE1 14.60887 33.64600 0.76122 MB 97 0.00000 1559 97 HSE HE1 15.23641 34.51302 0.97192 MB 97 0.00000 1560 97 HSE CB 12.99203 31.30300 -1.39466 MB 97 0.00000 1561 97 HSE HB1 13.77596 30.56828 -1.67150 MB 97 0.00000 1562 97 HSE HB2 12.12589 30.76244 -0.98242 MB 97 0.00000 1563 97 HSE C 11.89913 31.36400 -3.66972 MB 97 0.00000 1564 97 HSE O 12.55928 30.77800 -4.53856 MB 97 0.00000 1565 98 LYS N 10.50050 31.39500 -3.56712 MB 98 0.00000 1566 98 LYS HN 10.04116 31.84864 -2.80691 MB 98 0.00000 1567 98 LYS CA 9.69492 30.77800 -4.66242 MB 98 0.00000 1568 98 LYS HA 8.64861 30.98746 -4.51914 MB 98 0.00000 1569 98 LYS CB 10.19230 31.14800 -6.01781 MB 98 0.00000 1570 98 LYS HB1 11.19869 30.74101 -6.26282 MB 98 0.00000 1571 98 LYS HB2 10.46314 32.23460 -5.86262 MB 98 0.00000 1572 98 LYS CG 9.48873 31.24100 -7.32495 MB 98 0.00000 1573 98 LYS HG1 9.05953 32.26837 -7.41606 MB 98 0.00000 1574 98 LYS HG2 8.58367 30.59063 -7.20201 MB 98 0.00000 1575 98 LYS CD 10.04982 30.84000 -8.68653 MB 98 0.00000 1576 98 LYS HD1 9.53569 29.95221 -9.10617 MB 98 0.00000 1577 98 LYS HD2 11.08532 30.60705 -8.40256 MB 98 0.00000 1578 98 LYS CE 10.23578 31.95000 -9.71028 MB 98 0.00000 1579 98 LYS HE1 10.43390 32.91327 -9.20934 MB 98 0.00000 1580 98 LYS HE2 9.38160 32.04159 -10.40222 MB 98 0.00000 1581 98 LYS NZ 11.51573 31.61100 -10.53881 MB 98 0.00000 1582 98 LYS HZ1 11.45536 30.62503 -10.87321 MB 98 0.00000 1583 98 LYS HZ2 12.37659 31.73385 -9.95925 MB 98 0.00000 1584 98 LYS HZ3 11.59940 32.23906 -11.36119 MB 98 0.00000 1585 98 LYS C 9.98377 29.29800 -4.52267 MB 98 0.00000 1586 98 LYS O 10.37328 28.80500 -5.63350 MB 98 0.00000 1587 99 ILE N 9.84330 28.65000 -3.40286 MB 99 0.00000 1588 99 ILE HN 9.61028 29.15320 -2.56536 MB 99 0.00000 1589 99 ILE CA 10.25955 27.20100 -3.27548 MB 99 0.00000 1590 99 ILE HA 11.00322 26.93170 -4.00578 MB 99 0.00000 1591 99 ILE CB 10.75272 26.95400 -1.84845 MB 99 0.00000 1592 99 ILE HB 9.95036 27.23034 -1.11968 MB 99 0.00000 1593 99 ILE CG2 11.08607 25.50500 -1.61255 MB 99 0.00000 1594 99 ILE HG21 11.83608 25.14290 -2.34741 MB 99 0.00000 1595 99 ILE HG22 10.19204 24.84815 -1.66078 MB 99 0.00000 1596 99 ILE HG23 11.52838 25.37591 -0.59840 MB 99 0.00000 1597 99 ILE CG1 11.94345 27.91000 -1.49483 MB 99 0.00000 1598 99 ILE HG11 12.43910 27.53924 -0.57699 MB 99 0.00000 1599 99 ILE HG12 11.54023 28.91949 -1.29958 MB 99 0.00000 1600 99 ILE CD 12.96628 27.94100 -2.63297 MB 99 0.00000 1601 99 ILE HD1 12.58840 28.47556 -3.52747 MB 99 0.00000 1602 99 ILE HD2 13.25791 26.91288 -2.93058 MB 99 0.00000 1603 99 ILE HD3 13.88503 28.47209 -2.30403 MB 99 0.00000 1604 99 ILE C 8.96094 26.36800 -3.38453 MB 99 0.00000 1605 99 ILE O 8.11546 26.58400 -2.53086 MB 99 0.00000 1606 100 PRO N 8.87867 25.47400 -4.31494 MB 100 0.00000 1607 100 PRO CA 7.65152 24.67200 -4.46408 MB 100 0.00000 1608 100 PRO HA 6.86379 25.10047 -4.88132 MB 100 0.00000 1609 100 PRO CD 9.67058 25.50500 -5.56529 MB 100 0.00000 1610 100 PRO HD1 10.74946 25.33278 -5.36756 MB 100 0.00000 1611 100 PRO HD2 9.51004 26.47638 -6.08534 MB 100 0.00000 1612 100 PRO CB 7.75894 23.96300 -5.74847 MB 100 0.00000 1613 100 PRO HB1 6.93274 24.17733 -6.47488 MB 100 0.00000 1614 100 PRO HB2 7.76255 22.85273 -5.61511 MB 100 0.00000 1615 100 PRO CG 9.06518 24.36400 -6.37861 MB 100 0.00000 1616 100 PRO HG1 9.76546 23.49765 -6.34810 MB 100 0.00000 1617 100 PRO HG2 8.93707 24.66132 -7.44301 MB 100 0.00000 1618 100 PRO C 7.49184 23.77800 -3.24194 MB 100 0.00000 1619 100 PRO O 8.45416 23.25300 -2.66420 MB 100 0.00000 1620 101 ILE N 6.23447 23.43800 -2.88480 MB 101 0.00000 1621 101 ILE HN 5.43253 23.66636 -3.42320 MB 101 0.00000 1622 101 ILE CA 6.01785 22.54400 -1.69028 MB 101 0.00000 1623 101 ILE HA 6.45953 23.01973 -0.82821 MB 101 0.00000 1624 101 ILE CB 4.53632 22.35900 -1.47917 MB 101 0.00000 1625 101 ILE HB 4.03981 22.14452 -2.45804 MB 101 0.00000 1626 101 ILE CG2 4.17069 21.31000 -0.50529 MB 101 0.00000 1627 101 ILE HG21 4.79940 21.32234 0.41141 MB 101 0.00000 1628 101 ILE HG22 4.28988 20.29665 -0.95337 MB 101 0.00000 1629 101 ILE HG23 3.10160 21.39956 -0.20373 MB 101 0.00000 1630 101 ILE CG1 4.06586 23.71600 -0.96431 MB 101 0.00000 1631 101 ILE HG11 2.97901 23.81914 -1.10737 MB 101 0.00000 1632 101 ILE HG12 4.52441 24.55204 -1.51276 MB 101 0.00000 1633 101 ILE CD 4.34972 23.87000 0.58351 MB 101 0.00000 1634 101 ILE HD1 5.42101 23.99303 0.76612 MB 101 0.00000 1635 101 ILE HD2 3.91411 23.07489 1.21663 MB 101 0.00000 1636 101 ILE HD3 3.86597 24.81967 0.90176 MB 101 0.00000 1637 101 ILE C 6.73299 21.24900 -1.82701 MB 101 0.00000 1638 101 ILE O 7.11565 20.63200 -0.82429 MB 101 0.00000 1639 102 LYS N 6.83464 20.75500 -3.07768 MB 102 0.00000 1640 102 LYS HN 6.36757 21.22204 -3.83263 MB 102 0.00000 1641 102 LYS CA 7.52249 19.49100 -3.41270 MB 102 0.00000 1642 102 LYS HA 6.99726 18.70245 -2.89188 MB 102 0.00000 1643 102 LYS CB 7.48866 19.27500 -4.95163 MB 102 0.00000 1644 102 LYS HB1 8.10659 20.05869 -5.44304 MB 102 0.00000 1645 102 LYS HB2 6.43861 19.42610 -5.28905 MB 102 0.00000 1646 102 LYS CG 7.95245 17.88700 -5.43168 MB 102 0.00000 1647 102 LYS HG1 8.97612 17.68005 -5.04986 MB 102 0.00000 1648 102 LYS HG2 7.99002 17.86230 -6.54169 MB 102 0.00000 1649 102 LYS CD 6.98383 16.80800 -4.93578 MB 102 0.00000 1650 102 LYS HD1 5.98886 17.07280 -5.33886 MB 102 0.00000 1651 102 LYS HD2 6.92817 16.87159 -3.82323 MB 102 0.00000 1652 102 LYS CE 7.30092 15.38900 -5.30213 MB 102 0.00000 1653 102 LYS HE1 8.36347 15.17117 -5.04960 MB 102 0.00000 1654 102 LYS HE2 7.15317 15.21097 -6.39096 MB 102 0.00000 1655 102 LYS NZ 6.47464 14.43300 -4.55079 MB 102 0.00000 1656 102 LYS HZ1 5.48191 14.43456 -4.87155 MB 102 0.00000 1657 102 LYS HZ2 6.49668 14.68221 -3.52492 MB 102 0.00000 1658 102 LYS HZ3 6.89276 13.47894 -4.67167 MB 102 0.00000 1659 102 LYS C 9.00208 19.46000 -2.91933 MB 102 0.00000 1660 102 LYS O 9.43894 18.35000 -2.55885 MB 102 0.00000 1661 103 TYR N 9.56493 20.60100 -2.90665 MB 103 0.00000 1662 103 TYR HN 9.05076 21.43174 -3.12764 MB 103 0.00000 1663 103 TYR CA 11.01047 20.75500 -2.57776 MB 103 0.00000 1664 103 TYR HA 11.58276 19.95340 -3.02259 MB 103 0.00000 1665 103 TYR CB 11.53219 22.11200 -3.03028 MB 103 0.00000 1666 103 TYR HB1 12.44852 22.35057 -2.44343 MB 103 0.00000 1667 103 TYR HB2 10.79000 22.90023 -2.79043 MB 103 0.00000 1668 103 TYR CG 11.97831 22.35900 -4.44801 MB 103 0.00000 1669 103 TYR CD1 12.68537 23.46900 -4.88536 MB 103 0.00000 1670 103 TYR HD1 13.00060 24.20565 -4.16018 MB 103 0.00000 1671 103 TYR CD2 11.53195 21.43400 -5.44455 MB 103 0.00000 1672 103 TYR HD2 10.94731 20.56587 -5.18604 MB 103 0.00000 1673 103 TYR CE1 12.99732 23.68500 -6.25692 MB 103 0.00000 1674 103 TYR HE1 13.56362 24.53417 -6.58218 MB 103 0.00000 1675 103 TYR CE2 11.83724 21.61900 -6.78130 MB 103 0.00000 1676 103 TYR HE2 11.50920 20.89503 -7.51403 MB 103 0.00000 1677 103 TYR CZ 12.59556 22.72900 -7.15631 MB 103 0.00000 1678 103 TYR OH 12.83705 22.72900 -8.48787 MB 103 0.00000 1679 103 TYR HH 13.51320 23.42177 -8.65173 MB 103 0.00000 1680 103 TYR C 11.17847 20.63200 -1.08501 MB 103 0.00000 1681 103 TYR O 12.00662 20.01500 -0.46110 MB 103 0.00000 1682 104 LEU N 10.16099 21.12500 -0.31612 MB 104 0.00000 1683 104 LEU HN 9.41307 21.61627 -0.75654 MB 104 0.00000 1684 104 LEU CA 9.96400 20.84800 1.11159 MB 104 0.00000 1685 104 LEU HA 10.90137 21.10178 1.58713 MB 104 0.00000 1686 104 LEU CB 8.97717 21.74200 1.70973 MB 104 0.00000 1687 104 LEU HB1 8.90982 21.54751 2.80842 MB 104 0.00000 1688 104 LEU HB2 7.98154 21.45469 1.29112 MB 104 0.00000 1689 104 LEU CG 9.13531 23.25300 1.52760 MB 104 0.00000 1690 104 LEU HG 9.33177 23.50494 0.46085 MB 104 0.00000 1691 104 LEU CD1 7.74476 23.80800 1.93082 MB 104 0.00000 1692 104 LEU HD11 7.60930 23.73914 3.03092 MB 104 0.00000 1693 104 LEU HD12 6.96238 23.19242 1.45397 MB 104 0.00000 1694 104 LEU HD13 7.63642 24.86883 1.62096 MB 104 0.00000 1695 104 LEU CD2 10.16364 23.87000 2.43349 MB 104 0.00000 1696 104 LEU HD21 11.17967 23.49027 2.19355 MB 104 0.00000 1697 104 LEU HD22 9.94441 23.64320 3.49936 MB 104 0.00000 1698 104 LEU HD23 10.17538 24.97661 2.31559 MB 104 0.00000 1699 104 LEU C 9.78674 19.36800 1.39705 MB 104 0.00000 1700 104 LEU O 10.29104 18.90500 2.42112 MB 104 0.00000 1701 105 GLU N 9.18810 18.53500 0.54992 MB 105 0.00000 1702 105 GLU HN 8.74610 18.89793 -0.26998 MB 105 0.00000 1703 105 GLU CA 9.16313 17.11600 0.68597 MB 105 0.00000 1704 105 GLU HA 8.76848 16.84418 1.65467 MB 105 0.00000 1705 105 GLU CB 8.29962 16.56100 -0.43686 MB 105 0.00000 1706 105 GLU HB1 8.78356 16.64446 -1.42657 MB 105 0.00000 1707 105 GLU HB2 7.35650 17.15969 -0.46104 MB 105 0.00000 1708 105 GLU CG 8.01317 15.11200 -0.24127 MB 105 0.00000 1709 105 GLU HG1 7.49592 14.93127 0.72455 MB 105 0.00000 1710 105 GLU HG2 8.93379 14.49190 -0.27500 MB 105 0.00000 1711 105 GLU CD 7.08695 14.61800 -1.35801 MB 105 0.00000 1712 105 GLU OE1 7.08455 13.47700 -1.69335 MB 105 0.00000 1713 105 GLU OE2 6.34979 15.57400 -1.78981 MB 105 0.00000 1714 105 GLU C 10.57430 16.46900 0.51585 MB 105 0.00000 1715 105 GLU O 10.96122 15.48200 1.14843 MB 105 0.00000 1716 106 PHE N 11.25266 17.02400 -0.45523 MB 106 0.00000 1717 106 PHE HN 10.88046 17.71551 -1.07478 MB 106 0.00000 1718 106 PHE CA 12.67049 16.43800 -0.66016 MB 106 0.00000 1719 106 PHE HA 12.60882 15.36117 -0.75190 MB 106 0.00000 1720 106 PHE CB 13.21337 17.02400 -1.91950 MB 106 0.00000 1721 106 PHE HB1 14.23758 16.62128 -2.09512 MB 106 0.00000 1722 106 PHE HB2 13.31821 18.12536 -1.77481 MB 106 0.00000 1723 106 PHE CG 12.50890 16.83900 -3.22555 MB 106 0.00000 1724 106 PHE CD1 12.75279 17.85600 -4.22177 MB 106 0.00000 1725 106 PHE HD1 13.39150 18.69498 -4.01061 MB 106 0.00000 1726 106 PHE CD2 11.79802 15.72800 -3.45897 MB 106 0.00000 1727 106 PHE HD2 11.69240 14.95222 -2.71378 MB 106 0.00000 1728 106 PHE CE1 12.10058 17.73300 -5.46558 MB 106 0.00000 1729 106 PHE HE1 12.23133 18.44270 -6.26222 MB 106 0.00000 1730 106 PHE CE2 11.14581 15.54300 -4.70278 MB 106 0.00000 1731 106 PHE HE2 10.57218 14.65436 -4.91499 MB 106 0.00000 1732 106 PHE CZ 11.31357 16.53000 -5.62429 MB 106 0.00000 1733 106 PHE HZ 10.82062 16.41384 -6.58088 MB 106 0.00000 1734 106 PHE C 13.57860 16.74600 0.55981 MB 106 0.00000 1735 106 PHE O 14.31566 15.82100 0.99062 MB 106 0.00000 1736 107 ILE N 13.48557 17.91800 1.07119 MB 107 0.00000 1737 107 ILE HN 12.90440 18.64089 0.68588 MB 107 0.00000 1738 107 ILE CA 14.38790 18.19600 2.32488 MB 107 0.00000 1739 107 ILE HA 15.38245 17.85023 2.07839 MB 107 0.00000 1740 107 ILE CB 14.52339 19.67600 2.61314 MB 107 0.00000 1741 107 ILE HB 14.56371 20.23987 1.65544 MB 107 0.00000 1742 107 ILE CG2 13.41633 20.26200 3.52536 MB 107 0.00000 1743 107 ILE HG21 13.52315 19.89489 4.56808 MB 107 0.00000 1744 107 ILE HG22 12.41664 19.96873 3.14683 MB 107 0.00000 1745 107 ILE HG23 13.44968 21.36917 3.52559 MB 107 0.00000 1746 107 ILE CG1 15.88942 19.89200 3.38579 MB 107 0.00000 1747 107 ILE HG11 16.73433 19.60236 2.72601 MB 107 0.00000 1748 107 ILE HG12 15.92121 19.26247 4.29936 MB 107 0.00000 1749 107 ILE CD 16.00579 21.37200 3.77737 MB 107 0.00000 1750 107 ILE HD1 15.33644 21.63836 4.62150 MB 107 0.00000 1751 107 ILE HD2 15.77931 22.03250 2.91267 MB 107 0.00000 1752 107 ILE HD3 17.04486 21.59275 4.10748 MB 107 0.00000 1753 107 ILE C 13.93370 17.36300 3.44199 MB 107 0.00000 1754 107 ILE O 14.71767 17.02400 4.30428 MB 107 0.00000 1755 108 SER N 12.57380 17.14700 3.67445 MB 108 0.00000 1756 108 SER HN 11.87637 17.55622 3.08869 MB 108 0.00000 1757 108 SER CA 12.20817 16.19100 4.64833 MB 108 0.00000 1758 108 SER HA 12.47557 16.58920 5.61779 MB 108 0.00000 1759 108 SER CB 10.71279 16.00600 4.59254 MB 108 0.00000 1760 108 SER HB1 10.39273 15.29795 5.38515 MB 108 0.00000 1761 108 SER HB2 10.35865 15.63407 3.60531 MB 108 0.00000 1762 108 SER OG 10.08764 17.27000 4.92147 MB 108 0.00000 1763 108 SER HG1 10.20473 17.86287 4.16057 MB 108 0.00000 1764 108 SER C 12.85294 14.80300 4.55259 MB 108 0.00000 1765 108 SER O 13.28776 14.24800 5.61656 MB 108 0.00000 1766 109 GLU N 12.81475 14.27900 3.38281 MB 109 0.00000 1767 109 GLU HN 12.35040 14.75091 2.63114 MB 109 0.00000 1768 109 GLU CA 13.44567 13.04500 3.02016 MB 109 0.00000 1769 109 GLU HA 13.06093 12.26696 3.66736 MB 109 0.00000 1770 109 GLU CB 13.20720 12.64400 1.56741 MB 109 0.00000 1771 109 GLU HB1 13.87564 11.79411 1.29853 MB 109 0.00000 1772 109 GLU HB2 13.41997 13.48874 0.88033 MB 109 0.00000 1773 109 GLU CG 11.73002 12.18200 1.40937 MB 109 0.00000 1774 109 GLU HG1 11.52807 11.93436 0.35353 MB 109 0.00000 1775 109 GLU HG2 11.13966 13.12063 1.56196 MB 109 0.00000 1776 109 GLU CD 11.06987 11.19500 2.27821 MB 109 0.00000 1777 109 GLU OE1 11.16663 9.96100 2.43661 MB 109 0.00000 1778 109 GLU OE2 10.09122 11.68800 3.17797 MB 109 0.00000 1779 109 GLU C 14.95590 13.13800 3.34277 MB 109 0.00000 1780 109 GLU O 15.41905 12.12000 3.90164 MB 109 0.00000 1781 110 ALA N 15.58005 14.21700 3.01393 MB 110 0.00000 1782 110 ALA HN 15.11437 14.95709 2.52776 MB 110 0.00000 1783 110 ALA CA 17.02658 14.37100 3.34273 MB 110 0.00000 1784 110 ALA HA 17.56677 13.54711 2.89395 MB 110 0.00000 1785 110 ALA CB 17.56651 15.69800 2.78797 MB 110 0.00000 1786 110 ALA HB1 17.04080 16.56374 3.24295 MB 110 0.00000 1787 110 ALA HB2 17.42410 15.74192 1.68784 MB 110 0.00000 1788 110 ALA HB3 18.65303 15.80306 3.00002 MB 110 0.00000 1789 110 ALA C 17.25251 14.27900 4.86301 MB 110 0.00000 1790 110 ALA O 18.22050 13.69300 5.40603 MB 110 0.00000 1791 111 ILE N 16.43190 14.98800 5.57964 MB 111 0.00000 1792 111 ILE HN 15.71833 15.54559 5.14974 MB 111 0.00000 1793 111 ILE CA 16.53620 15.05000 7.07857 MB 111 0.00000 1794 111 ILE HA 17.50863 15.42808 7.35740 MB 111 0.00000 1795 111 ILE CB 15.45838 16.03700 7.48460 MB 111 0.00000 1796 111 ILE HB 14.49891 15.77410 6.98938 MB 111 0.00000 1797 111 ILE CG2 15.23642 15.94400 9.04836 MB 111 0.00000 1798 111 ILE HG21 16.16162 16.24557 9.58096 MB 111 0.00000 1799 111 ILE HG22 14.97048 14.91179 9.35265 MB 111 0.00000 1800 111 ILE HG23 14.40392 16.59547 9.37591 MB 111 0.00000 1801 111 ILE CG1 15.83917 17.45500 7.11207 MB 111 0.00000 1802 111 ILE HG11 16.09090 17.56597 6.04316 MB 111 0.00000 1803 111 ILE HG12 16.72429 17.76387 7.69595 MB 111 0.00000 1804 111 ILE CD 14.63973 18.44200 7.49675 MB 111 0.00000 1805 111 ILE HD1 14.50338 18.48742 8.59096 MB 111 0.00000 1806 111 ILE HD2 13.70088 18.09746 7.01885 MB 111 0.00000 1807 111 ILE HD3 14.87298 19.46241 7.12946 MB 111 0.00000 1808 111 ILE C 16.44317 13.69300 7.58995 MB 111 0.00000 1809 111 ILE O 17.29193 13.13800 8.44697 MB 111 0.00000 1810 112 ILE N 15.44354 12.92200 7.21779 MB 112 0.00000 1811 112 ILE HN 14.77503 13.27509 6.55937 MB 112 0.00000 1812 112 ILE CA 15.15273 11.59600 7.78252 MB 112 0.00000 1813 112 ILE HA 15.16778 11.66259 8.86163 MB 112 0.00000 1814 112 ILE CB 13.85281 10.97900 7.33903 MB 112 0.00000 1815 112 ILE HB 13.66525 11.23164 6.26810 MB 112 0.00000 1816 112 ILE CG2 13.94956 9.46800 7.49742 MB 112 0.00000 1817 112 ILE HG21 14.28968 9.17118 8.50127 MB 112 0.00000 1818 112 ILE HG22 14.57781 8.97261 6.72583 MB 112 0.00000 1819 112 ILE HG23 12.93493 9.02915 7.36675 MB 112 0.00000 1820 112 ILE CG1 12.75243 11.56500 8.21644 MB 112 0.00000 1821 112 ILE HG11 13.02592 12.61201 8.48594 MB 112 0.00000 1822 112 ILE HG12 12.66768 10.98771 9.16112 MB 112 0.00000 1823 112 ILE CD 11.37396 11.62700 7.51232 MB 112 0.00000 1824 112 ILE HD1 10.98133 10.59954 7.34951 MB 112 0.00000 1825 112 ILE HD2 11.52252 12.10233 6.52383 MB 112 0.00000 1826 112 ILE HD3 10.64387 12.20642 8.11261 MB 112 0.00000 1827 112 ILE C 16.28848 10.60900 7.40403 MB 112 0.00000 1828 112 ILE O 16.83586 9.77600 8.18882 MB 112 0.00000 1829 113 HSD N 16.81892 10.64000 6.21321 MB 113 0.00000 1830 113 HSD HN 16.39088 11.19824 5.50109 MB 113 0.00000 1831 113 HSD CA 18.07630 9.96100 5.85607 MB 113 0.00000 1832 113 HSD HA 17.88129 8.89652 5.88312 MB 113 0.00000 1833 113 HSD ND1 20.64054 9.99200 3.82986 MB 113 0.00000 1834 113 HSD HD1 20.97868 10.85723 4.18826 MB 113 0.00000 1835 113 HSD CG 19.32382 9.46800 3.82404 MB 113 0.00000 1836 113 HSD CB 18.27230 10.39300 4.42846 MB 113 0.00000 1837 113 HSD HB1 18.55335 11.46335 4.34119 MB 113 0.00000 1838 113 HSD HB2 17.32824 10.23492 3.85791 MB 113 0.00000 1839 113 HSD NE2 20.54584 7.89500 2.96798 MB 113 0.00000 1840 113 HSD CD2 19.22466 8.26500 3.33031 MB 113 0.00000 1841 113 HSD HD2 18.38217 7.59612 3.20197 MB 113 0.00000 1842 113 HSD CE1 21.30788 8.97400 3.26274 MB 113 0.00000 1843 113 HSD HE1 22.38607 9.01386 3.08455 MB 113 0.00000 1844 113 HSD C 19.22526 10.20800 6.78341 MB 113 0.00000 1845 113 HSD O 19.96919 9.22100 7.18140 MB 113 0.00000 1846 114 VAL N 19.55294 11.47200 7.05402 MB 114 0.00000 1847 114 VAL HN 18.98565 12.21518 6.69235 MB 114 0.00000 1848 114 VAL CA 20.72687 11.87300 7.84531 MB 114 0.00000 1849 114 VAL HA 21.56859 11.29453 7.48902 MB 114 0.00000 1850 114 VAL CB 21.12828 13.38500 7.70588 MB 114 0.00000 1851 114 VAL HB 20.21196 13.98760 7.91808 MB 114 0.00000 1852 114 VAL CG1 22.18966 13.78500 8.77634 MB 114 0.00000 1853 114 VAL HG11 23.10048 13.16197 8.64967 MB 114 0.00000 1854 114 VAL HG12 21.79952 13.66340 9.80517 MB 114 0.00000 1855 114 VAL HG13 22.47795 14.84884 8.63464 MB 114 0.00000 1856 114 VAL CG2 21.51637 13.63100 6.25962 MB 114 0.00000 1857 114 VAL HG21 20.68479 13.39722 5.56345 MB 114 0.00000 1858 114 VAL HG22 22.39541 13.01022 5.98073 MB 114 0.00000 1859 114 VAL HG23 21.79710 14.69490 6.11105 MB 114 0.00000 1860 114 VAL C 20.52978 11.44200 9.27202 MB 114 0.00000 1861 114 VAL O 21.46713 10.91700 9.98580 MB 114 0.00000 1862 115 LEU N 19.36339 11.78100 9.82127 MB 115 0.00000 1863 115 LEU HN 18.63915 12.25583 9.30869 MB 115 0.00000 1864 115 LEU CA 19.05820 11.28700 11.15901 MB 115 0.00000 1865 115 LEU HA 19.77858 11.71014 11.84239 MB 115 0.00000 1866 115 LEU CB 17.66089 11.65800 11.59605 MB 115 0.00000 1867 115 LEU HB1 17.45053 11.14083 12.56423 MB 115 0.00000 1868 115 LEU HB2 16.91556 11.27272 10.86165 MB 115 0.00000 1869 115 LEU CG 17.43237 13.13800 11.81917 MB 115 0.00000 1870 115 LEU HG 17.16987 13.56986 10.81745 MB 115 0.00000 1871 115 LEU CD1 16.20369 13.35400 12.71004 MB 115 0.00000 1872 115 LEU HD11 16.39223 12.97449 13.73555 MB 115 0.00000 1873 115 LEU HD12 15.34317 12.80025 12.27892 MB 115 0.00000 1874 115 LEU HD13 15.94634 14.43258 12.76916 MB 115 0.00000 1875 115 LEU CD2 18.59823 13.94000 12.30983 MB 115 0.00000 1876 115 LEU HD21 19.43521 13.94236 11.57912 MB 115 0.00000 1877 115 LEU HD22 18.96952 13.54377 13.27994 MB 115 0.00000 1878 115 LEU HD23 18.29593 14.99967 12.46431 MB 115 0.00000 1879 115 LEU C 19.29479 9.77600 11.23652 MB 115 0.00000 1880 115 LEU O 19.72285 9.31400 12.33430 MB 115 0.00000 1881 116 HSD N 18.85420 9.06700 10.20627 MB 116 0.00000 1882 116 HSD HN 18.37794 9.45406 9.41185 MB 116 0.00000 1883 116 HSD CA 19.02809 7.61700 10.28986 MB 116 0.00000 1884 116 HSD HA 18.65985 7.28574 11.25088 MB 116 0.00000 1885 116 HSD ND1 17.70460 4.65700 10.31785 MB 116 0.00000 1886 116 HSD HD1 17.13275 4.98599 11.06947 MB 116 0.00000 1887 116 HSD CG 18.26124 5.42800 9.32443 MB 116 0.00000 1888 116 HSD CB 18.21007 6.90800 9.26308 MB 116 0.00000 1889 116 HSD HB1 18.54601 7.21970 8.24702 MB 116 0.00000 1890 116 HSD HB2 17.14735 7.22548 9.35061 MB 116 0.00000 1891 116 HSD NE2 18.77719 3.33100 8.90562 MB 116 0.00000 1892 116 HSD CD2 18.92148 4.62600 8.45658 MB 116 0.00000 1893 116 HSD HD2 19.41827 4.86425 7.52362 MB 116 0.00000 1894 116 HSD CE1 18.00349 3.42300 10.05374 MB 116 0.00000 1895 116 HSD HE1 17.73260 2.56575 10.66730 MB 116 0.00000 1896 116 HSD C 20.53024 7.27800 10.31184 MB 116 0.00000 1897 116 HSD O 20.94345 6.47600 11.14281 MB 116 0.00000 1898 117 SER N 21.38149 7.86400 9.42445 MB 117 0.00000 1899 117 SER HN 21.03231 8.46354 8.69908 MB 117 0.00000 1900 117 SER CA 22.76192 7.55600 9.42409 MB 117 0.00000 1901 117 SER HA 22.84065 6.48692 9.27259 MB 117 0.00000 1902 117 SER CB 23.63814 8.20300 8.40065 MB 117 0.00000 1903 117 SER HB1 24.63301 7.68957 8.41628 MB 117 0.00000 1904 117 SER HB2 23.83491 9.25713 8.71878 MB 117 0.00000 1905 117 SER OG 23.25984 8.32700 7.02878 MB 117 0.00000 1906 117 SER HG1 23.95238 8.87946 6.63038 MB 117 0.00000 1907 117 SER C 23.45295 7.86400 10.79876 MB 117 0.00000 1908 117 SER O 24.31851 7.06200 11.21810 MB 117 0.00000 1909 118 ARG N 23.16215 9.00500 11.36350 MB 118 0.00000 1910 118 ARG HN 22.49443 9.59836 10.90332 MB 118 0.00000 1911 118 ARG CA 23.76320 9.53000 12.54596 MB 118 0.00000 1912 118 ARG HA 24.80300 9.22781 12.54296 MB 118 0.00000 1913 118 ARG CB 23.77564 11.10200 12.47744 MB 118 0.00000 1914 118 ARG HB1 24.19846 11.50025 13.42094 MB 118 0.00000 1915 118 ARG HB2 22.74701 11.48905 12.33628 MB 118 0.00000 1916 118 ARG CG 24.67692 11.55200 11.28780 MB 118 0.00000 1917 118 ARG HG1 24.24426 11.13511 10.34901 MB 118 0.00000 1918 118 ARG HG2 25.67429 11.06886 11.41703 MB 118 0.00000 1919 118 ARG CD 24.91480 13.03000 11.02660 MB 118 0.00000 1920 118 ARG HD1 23.95426 13.56180 10.85600 MB 118 0.00000 1921 118 ARG HD2 25.55883 13.14733 10.12199 MB 118 0.00000 1922 118 ARG NE 25.54266 13.60200 12.19541 MB 118 0.00000 1923 118 ARG HE 25.33566 13.22549 13.10012 MB 118 0.00000 1924 118 ARG CZ 26.45568 14.55900 12.20324 MB 118 0.00000 1925 118 ARG NH1 26.89487 14.94700 13.37429 MB 118 0.00000 1926 118 ARG HH11 26.66927 14.42959 14.18851 MB 118 0.00000 1927 118 ARG HH12 27.53818 15.73595 13.45413 MB 118 0.00000 1928 118 ARG NH2 27.00343 15.03700 11.11825 MB 118 0.00000 1929 118 ARG HH21 26.73562 14.70337 10.21089 MB 118 0.00000 1930 118 ARG HH22 27.78704 15.62978 11.23068 MB 118 0.00000 1931 118 ARG C 23.21465 8.97400 13.84001 MB 118 0.00000 1932 118 ARG O 24.02590 9.06700 14.90059 MB 118 0.00000 1933 119 HSP N 22.07072 8.48100 13.91688 MB 119 0.00000 1934 119 HSP HN 21.48937 8.37656 13.10392 MB 119 0.00000 1935 119 HSP CA 21.52217 8.08000 15.21093 MB 119 0.00000 1936 119 HSP HA 22.33893 7.80607 15.86870 MB 119 0.00000 1937 119 HSP ND1 22.36790 11.04100 16.77152 MB 119 0.00000 1938 119 HSP HD1 22.74290 10.51332 17.56798 MB 119 0.00000 1939 119 HSP NE2 22.30101 12.42900 15.06802 MB 119 0.00000 1940 119 HSP HE2 22.50309 13.27120 14.52473 MB 119 0.00000 1941 119 HSP CE1 22.76789 12.15100 16.29666 MB 119 0.00000 1942 119 HSP HE1 23.43659 12.81580 16.83390 MB 119 0.00000 1943 119 HSP CD2 21.49348 11.34900 14.67720 MB 119 0.00000 1944 119 HSP HD2 20.96789 11.24699 13.73581 MB 119 0.00000 1945 119 HSP CG 21.54510 10.51600 15.77837 MB 119 0.00000 1946 119 HSP CB 20.82320 9.19000 15.94891 MB 119 0.00000 1947 119 HSP HB1 20.76705 8.96815 17.03421 MB 119 0.00000 1948 119 HSP HB2 19.79448 9.33948 15.55014 MB 119 0.00000 1949 119 HSP C 20.64658 6.84600 15.19544 MB 119 0.00000 1950 119 HSP O 19.55056 6.87700 15.70371 MB 119 0.00000 1951 120 PRO N 21.19895 5.79800 14.57217 MB 120 0.00000 1952 120 PRO CA 20.52113 4.53300 14.50333 MB 120 0.00000 1953 120 PRO HA 19.77709 4.64835 13.72523 MB 120 0.00000 1954 120 PRO CD 22.72598 5.58200 14.45710 MB 120 0.00000 1955 120 PRO HD1 23.17614 5.52857 15.46742 MB 120 0.00000 1956 120 PRO HD2 23.23998 6.32987 13.82024 MB 120 0.00000 1957 120 PRO CB 21.53525 3.48500 14.10348 MB 120 0.00000 1958 120 PRO HB1 21.17240 2.88334 13.24004 MB 120 0.00000 1959 120 PRO HB2 21.75954 2.78132 14.93853 MB 120 0.00000 1960 120 PRO CG 22.79262 4.22500 13.74634 MB 120 0.00000 1961 120 PRO HG1 23.71179 3.65896 14.00561 MB 120 0.00000 1962 120 PRO HG2 22.79485 4.41676 12.64533 MB 120 0.00000 1963 120 PRO C 19.73599 4.16300 15.71987 MB 120 0.00000 1964 120 PRO O 18.49531 3.94800 15.63835 MB 120 0.00000 1965 121 GLY N 20.33694 4.00900 16.90134 MB 121 0.00000 1966 121 GLY HN 21.32106 4.16853 16.98749 MB 121 0.00000 1967 121 GLY CA 19.68496 3.39200 18.07180 MB 121 0.00000 1968 121 GLY HA1 20.42340 3.24886 18.84399 MB 121 0.00000 1969 121 GLY HA2 19.19506 2.48268 17.76765 MB 121 0.00000 1970 121 GLY C 18.64588 4.34800 18.60769 MB 121 0.00000 1971 121 GLY O 17.90382 4.04000 19.58495 MB 121 0.00000 1972 122 ASP N 18.57268 5.45900 17.97781 MB 122 0.00000 1973 122 ASP HN 19.18104 5.61491 17.20381 MB 122 0.00000 1974 122 ASP CA 17.84642 6.63100 18.51750 MB 122 0.00000 1975 122 ASP HA 17.36731 6.39040 19.45707 MB 122 0.00000 1976 122 ASP CB 18.94050 7.67900 18.71372 MB 122 0.00000 1977 122 ASP HB1 18.67225 8.71139 18.48928 MB 122 0.00000 1978 122 ASP HB2 19.42127 7.62221 17.71561 MB 122 0.00000 1979 122 ASP CG 20.19057 7.15500 19.43031 MB 122 0.00000 1980 122 ASP OD1 21.21518 7.89500 19.66643 MB 122 0.00000 1981 122 ASP OD2 20.22603 5.89000 19.93022 MB 122 0.00000 1982 122 ASP C 16.70990 7.00100 17.52164 MB 122 0.00000 1983 122 ASP O 15.85492 7.86400 17.73926 MB 122 0.00000 1984 123 PHE N 16.84460 6.29100 16.43555 MB 123 0.00000 1985 123 PHE HN 17.55139 5.58813 16.34054 MB 123 0.00000 1986 123 PHE CA 15.99353 6.60000 15.24420 MB 123 0.00000 1987 123 PHE HA 15.08479 7.07321 15.58556 MB 123 0.00000 1988 123 PHE CB 16.71738 7.58700 14.36917 MB 123 0.00000 1989 123 PHE HB1 17.55340 7.07887 13.83459 MB 123 0.00000 1990 123 PHE HB2 17.18180 8.37129 15.00713 MB 123 0.00000 1991 123 PHE CG 15.89368 8.29600 13.37711 MB 123 0.00000 1992 123 PHE CD1 14.98876 9.31400 13.86682 MB 123 0.00000 1993 123 PHE HD1 14.92951 9.49698 14.92653 MB 123 0.00000 1994 123 PHE CD2 15.94984 8.04900 12.03038 MB 123 0.00000 1995 123 PHE HD2 16.57320 7.27032 11.63036 MB 123 0.00000 1996 123 PHE CE1 14.14676 9.99200 12.97600 MB 123 0.00000 1997 123 PHE HE1 13.45012 10.72431 13.35546 MB 123 0.00000 1998 123 PHE CE2 15.10207 8.82000 11.17328 MB 123 0.00000 1999 123 PHE HE2 15.18353 8.61565 10.11906 MB 123 0.00000 2000 123 PHE CZ 14.26095 9.74500 11.65780 MB 123 0.00000 2001 123 PHE HZ 13.62870 10.28916 10.96531 MB 123 0.00000 2002 123 PHE C 15.54290 5.30400 14.61780 MB 123 0.00000 2003 123 PHE O 15.81745 4.90400 13.45082 MB 123 0.00000 2004 124 GLY N 14.88942 4.50300 15.45183 MB 124 0.00000 2005 124 GLY HN 14.77171 4.74989 16.41148 MB 124 0.00000 2006 124 GLY CA 14.27976 3.23800 15.00866 MB 124 0.00000 2007 124 GLY HA1 13.97904 2.68815 15.88806 MB 124 0.00000 2008 124 GLY HA2 14.96287 2.70407 14.36556 MB 124 0.00000 2009 124 GLY C 12.98419 3.60800 14.19602 MB 124 0.00000 2010 124 GLY O 12.80889 4.78000 13.77700 MB 124 0.00000 2011 125 ALA N 12.20961 2.56000 13.96879 MB 125 0.00000 2012 125 ALA HN 12.43508 1.66391 14.35577 MB 125 0.00000 2013 125 ALA CA 11.13679 2.62100 12.96675 MB 125 0.00000 2014 125 ALA HA 11.51305 3.00369 12.03171 MB 125 0.00000 2015 125 ALA CB 10.59214 1.17200 12.85183 MB 125 0.00000 2016 125 ALA HB1 10.18264 0.80858 13.81679 MB 125 0.00000 2017 125 ALA HB2 11.40867 0.48480 12.54870 MB 125 0.00000 2018 125 ALA HB3 9.80049 1.14368 12.07800 MB 125 0.00000 2019 125 ALA C 10.09780 3.54700 13.50363 MB 125 0.00000 2020 125 ALA O 9.51868 4.41000 12.88870 MB 125 0.00000 2021 126 ASP N 9.91991 3.36200 14.82801 MB 126 0.00000 2022 126 ASP HN 10.51513 2.76784 15.36539 MB 126 0.00000 2023 126 ASP CA 8.96524 4.19400 15.59181 MB 126 0.00000 2024 126 ASP HA 8.00316 4.11714 15.10174 MB 126 0.00000 2025 126 ASP CB 8.83861 3.63900 16.97853 MB 126 0.00000 2026 126 ASP HB1 8.51313 2.57510 16.90680 MB 126 0.00000 2027 126 ASP HB2 8.03595 4.18875 17.52353 MB 126 0.00000 2028 126 ASP CG 10.06481 3.67000 17.83207 MB 126 0.00000 2029 126 ASP OD1 9.90513 3.76200 19.05421 MB 126 0.00000 2030 126 ASP OD2 11.17317 3.70100 17.25429 MB 126 0.00000 2031 126 ASP C 9.34843 5.64400 15.55462 MB 126 0.00000 2032 126 ASP O 8.46467 6.50700 15.23752 MB 126 0.00000 2033 127 ALA N 10.53917 6.04500 15.90824 MB 127 0.00000 2034 127 ALA HN 11.17675 5.36500 16.28719 MB 127 0.00000 2035 127 ALA CA 10.93480 7.46300 15.80252 MB 127 0.00000 2036 127 ALA HA 10.29095 8.08757 16.40407 MB 127 0.00000 2037 127 ALA CB 12.40195 7.37100 16.36441 MB 127 0.00000 2038 127 ALA HB1 12.99330 6.65607 15.75715 MB 127 0.00000 2039 127 ALA HB2 12.38133 7.00701 17.41363 MB 127 0.00000 2040 127 ALA HB3 12.89364 8.36497 16.34110 MB 127 0.00000 2041 127 ALA C 10.93980 7.95700 14.39445 MB 127 0.00000 2042 127 ALA O 10.74052 9.19000 14.11138 MB 127 0.00000 2043 128 GLN N 11.30533 7.18600 13.41958 MB 128 0.00000 2044 128 GLN HN 11.66680 6.27253 13.63448 MB 128 0.00000 2045 128 GLN CA 11.25229 7.49400 11.98299 MB 128 0.00000 2046 128 GLN HA 11.86467 8.36169 11.78590 MB 128 0.00000 2047 128 GLN CB 11.71467 6.32200 11.16750 MB 128 0.00000 2048 128 GLN HB1 11.12888 5.41605 11.43160 MB 128 0.00000 2049 128 GLN HB2 12.77521 6.12161 11.43446 MB 128 0.00000 2050 128 GLN CG 11.61614 6.56900 9.63485 MB 128 0.00000 2051 128 GLN HG1 12.25304 7.44977 9.38497 MB 128 0.00000 2052 128 GLN HG2 10.56914 6.83131 9.36223 MB 128 0.00000 2053 128 GLN CD 12.02726 5.45900 8.75703 MB 128 0.00000 2054 128 GLN OE1 12.13458 5.64400 7.47165 MB 128 0.00000 2055 128 GLN NE2 12.43239 4.28700 9.28737 MB 128 0.00000 2056 128 GLN HE21 12.77855 4.29308 10.22679 MB 128 0.00000 2057 128 GLN HE22 12.60210 3.51759 8.67148 MB 128 0.00000 2058 128 GLN C 9.79999 7.86400 11.68791 MB 128 0.00000 2059 128 GLN O 9.61093 8.85100 11.00297 MB 128 0.00000 2060 129 GLY N 8.94066 7.06200 12.27467 MB 129 0.00000 2061 129 GLY HN 9.24595 6.24843 12.78019 MB 129 0.00000 2062 129 GLY CA 7.42366 7.24700 11.98588 MB 129 0.00000 2063 129 GLY HA1 6.88454 6.47163 12.50895 MB 129 0.00000 2064 129 GLY HA2 7.27201 7.24528 10.91725 MB 129 0.00000 2065 129 GLY C 6.95419 8.54300 12.50064 MB 129 0.00000 2066 129 GLY O 6.24101 9.34500 11.93288 MB 129 0.00000 2067 130 ALA N 7.35738 8.88200 13.73546 MB 130 0.00000 2068 130 ALA HN 7.93003 8.22420 14.22554 MB 130 0.00000 2069 130 ALA CA 7.03493 10.11600 14.47106 MB 130 0.00000 2070 130 ALA HA 5.96379 10.26365 14.44580 MB 130 0.00000 2071 130 ALA CB 7.52243 9.93000 15.93280 MB 130 0.00000 2072 130 ALA HB1 8.61873 9.76139 15.96604 MB 130 0.00000 2073 130 ALA HB2 7.00558 9.05903 16.38487 MB 130 0.00000 2074 130 ALA HB3 7.27430 10.82813 16.52926 MB 130 0.00000 2075 130 ALA C 7.67588 11.25700 13.70455 MB 130 0.00000 2076 130 ALA O 7.01736 12.27400 13.53437 MB 130 0.00000 2077 131 MET N 8.97077 11.16400 13.14383 MB 131 0.00000 2078 131 MET HN 9.53954 10.34507 13.27529 MB 131 0.00000 2079 131 MET CA 9.57430 12.30500 12.58189 MB 131 0.00000 2080 131 MET HA 9.42389 13.14632 13.24262 MB 131 0.00000 2081 131 MET CB 11.12053 12.12000 12.36450 MB 131 0.00000 2082 131 MET HB1 11.25481 11.18589 11.76697 MB 131 0.00000 2083 131 MET HB2 11.58816 11.91702 13.34471 MB 131 0.00000 2084 131 MET CG 11.63985 13.26100 11.57664 MB 131 0.00000 2085 131 MET HG1 11.10954 13.50084 10.63618 MB 131 0.00000 2086 131 MET HG2 12.66343 12.97920 11.22961 MB 131 0.00000 2087 131 MET SD 11.81887 14.74200 12.66544 MB 131 0.00000 2088 131 MET CE 12.94296 13.94000 13.72982 MB 131 0.00000 2089 131 MET HE1 13.55439 13.18197 13.20462 MB 131 0.00000 2090 131 MET HE2 12.41505 13.43808 14.56944 MB 131 0.00000 2091 131 MET HE3 13.63750 14.67810 14.18600 MB 131 0.00000 2092 131 MET C 8.87660 12.67500 11.24203 MB 131 0.00000 2093 131 MET O 8.81716 13.81600 10.87807 MB 131 0.00000 2094 132 ASN N 8.49634 11.59600 10.57465 MB 132 0.00000 2095 132 ASN HN 8.68761 10.67604 10.92806 MB 132 0.00000 2096 132 ASN CA 7.79187 11.71900 9.26859 MB 132 0.00000 2097 132 ASN HA 8.39589 12.39384 8.67414 MB 132 0.00000 2098 132 ASN CB 7.73679 10.42400 8.53549 MB 132 0.00000 2099 132 ASN HB1 7.07898 9.69213 9.05010 MB 132 0.00000 2100 132 ASN HB2 8.74869 9.97560 8.44066 MB 132 0.00000 2101 132 ASN CG 7.17892 10.67100 7.11474 MB 132 0.00000 2102 132 ASN OD1 5.94511 10.14600 7.00040 MB 132 0.00000 2103 132 ASN ND2 7.72988 11.28700 6.15602 MB 132 0.00000 2104 132 ASN HD21 7.16675 11.43598 5.34047 MB 132 0.00000 2105 132 ASN HD22 8.64067 11.69479 6.22172 MB 132 0.00000 2106 132 ASN C 6.49567 12.45900 9.49488 MB 132 0.00000 2107 132 ASN O 6.24282 13.41500 8.81512 MB 132 0.00000 2108 133 LYS N 5.68991 12.05800 10.47832 MB 133 0.00000 2109 133 LYS HN 5.90848 11.23666 11.01103 MB 133 0.00000 2110 133 LYS CA 4.49046 12.79900 10.86300 MB 133 0.00000 2111 133 LYS HA 3.80298 12.78777 10.02702 MB 133 0.00000 2112 133 LYS CB 3.83262 12.24300 12.06618 MB 133 0.00000 2113 133 LYS HB1 3.08500 12.98157 12.42658 MB 133 0.00000 2114 133 LYS HB2 4.56599 12.11723 12.89651 MB 133 0.00000 2115 133 LYS CG 3.11508 10.85600 11.86757 MB 133 0.00000 2116 133 LYS HG1 3.76763 10.00043 12.13031 MB 133 0.00000 2117 133 LYS HG2 2.86279 10.80238 10.78435 MB 133 0.00000 2118 133 LYS CD 1.83513 10.94800 12.69610 MB 133 0.00000 2119 133 LYS HD1 1.03903 10.55304 12.01304 MB 133 0.00000 2120 133 LYS HD2 1.54741 12.01301 12.85152 MB 133 0.00000 2121 133 LYS CE 1.73348 10.20800 13.94677 MB 133 0.00000 2122 133 LYS HE1 2.51946 10.59276 14.62053 MB 133 0.00000 2123 133 LYS HE2 1.74816 9.11588 13.79528 MB 133 0.00000 2124 133 LYS NZ 0.31129 10.60900 14.52085 MB 133 0.00000 2125 133 LYS HZ1 -0.44235 10.03060 14.11009 MB 133 0.00000 2126 133 LYS HZ2 0.12258 11.61194 14.35618 MB 133 0.00000 2127 133 LYS HZ3 0.41920 10.46183 15.55872 MB 133 0.00000 2128 133 LYS C 4.81127 14.24800 11.16642 MB 133 0.00000 2129 133 LYS O 3.99807 15.17300 10.81032 MB 133 0.00000 2130 134 ALA N 5.77491 14.52600 12.07859 MB 134 0.00000 2131 134 ALA HN 6.31106 13.79249 12.50782 MB 134 0.00000 2132 134 ALA CA 6.16051 15.94400 12.37674 MB 134 0.00000 2133 134 ALA HA 5.29733 16.43205 12.80934 MB 134 0.00000 2134 134 ALA CB 7.29136 15.94400 13.40731 MB 134 0.00000 2135 134 ALA HB1 8.19093 15.42782 13.00526 MB 134 0.00000 2136 134 ALA HB2 6.97179 15.40965 14.32633 MB 134 0.00000 2137 134 ALA HB3 7.57437 16.98039 13.68812 MB 134 0.00000 2138 134 ALA C 6.51129 16.71500 11.13604 MB 134 0.00000 2139 134 ALA O 6.04378 17.88700 10.94632 MB 134 0.00000 2140 135 LEU N 7.31128 16.16000 10.18632 MB 135 0.00000 2141 135 LEU HN 7.76853 15.27348 10.31659 MB 135 0.00000 2142 135 LEU CA 7.52889 16.86900 8.99171 MB 135 0.00000 2143 135 LEU HA 7.80534 17.88138 9.24891 MB 135 0.00000 2144 135 LEU CB 8.78396 16.22200 8.30022 MB 135 0.00000 2145 135 LEU HB1 8.99455 16.73415 7.33747 MB 135 0.00000 2146 135 LEU HB2 8.55844 15.15522 8.08552 MB 135 0.00000 2147 135 LEU CG 10.06709 16.28400 9.18138 MB 135 0.00000 2148 135 LEU HG 9.89262 15.89705 10.20661 MB 135 0.00000 2149 135 LEU CD1 11.19475 15.48200 8.50226 MB 135 0.00000 2150 135 LEU HD11 11.41476 15.89835 7.49904 MB 135 0.00000 2151 135 LEU HD12 10.89774 14.41939 8.39157 MB 135 0.00000 2152 135 LEU HD13 12.12142 15.52760 9.11231 MB 135 0.00000 2153 135 LEU CD2 10.50155 17.73300 9.20653 MB 135 0.00000 2154 135 LEU HD21 9.78134 18.37319 9.75666 MB 135 0.00000 2155 135 LEU HD22 10.61460 18.13082 8.17407 MB 135 0.00000 2156 135 LEU HD23 11.48539 17.82615 9.71678 MB 135 0.00000 2157 135 LEU C 6.38560 17.02400 8.02966 MB 135 0.00000 2158 135 LEU O 6.27845 17.94900 7.23630 MB 135 0.00000 2159 136 GLU N 5.45208 16.00600 7.98664 MB 136 0.00000 2160 136 GLU HN 5.58670 15.14744 8.49381 MB 136 0.00000 2161 136 GLU CA 4.20768 16.16000 7.23535 MB 136 0.00000 2162 136 GLU HA 4.39337 16.37478 6.19349 MB 136 0.00000 2163 136 GLU CB 3.35270 14.86500 7.45296 MB 136 0.00000 2164 136 GLU HB1 2.32101 15.00400 7.06959 MB 136 0.00000 2165 136 GLU HB2 3.32420 14.56283 8.51544 MB 136 0.00000 2166 136 GLU CG 4.07655 13.75500 6.57794 MB 136 0.00000 2167 136 GLU HG1 5.07289 13.44716 6.90513 MB 136 0.00000 2168 136 GLU HG2 4.05905 14.15027 5.54207 MB 136 0.00000 2169 136 GLU CD 3.14293 12.55200 6.53393 MB 136 0.00000 2170 136 GLU OE1 2.46457 12.21300 7.50501 MB 136 0.00000 2171 136 GLU OE2 3.17421 12.02800 5.32425 MB 136 0.00000 2172 136 GLU C 3.34834 17.27000 7.82211 MB 136 0.00000 2173 136 GLU O 2.69745 17.98000 6.91274 MB 136 0.00000 2174 137 LEU N 3.30462 17.42500 9.10031 MB 137 0.00000 2175 137 LEU HN 3.80454 16.79672 9.70256 MB 137 0.00000 2176 137 LEU CA 2.49646 18.50400 9.74842 MB 137 0.00000 2177 137 LEU HA 1.50264 18.48872 9.32556 MB 137 0.00000 2178 137 LEU CB 2.41542 18.31900 11.23219 MB 137 0.00000 2179 137 LEU HB1 3.45373 18.19495 11.62335 MB 137 0.00000 2180 137 LEU HB2 1.88543 17.36748 11.46198 MB 137 0.00000 2181 137 LEU CG 1.76194 19.46000 12.06622 MB 137 0.00000 2182 137 LEU HG 2.15725 20.45758 11.76699 MB 137 0.00000 2183 137 LEU CD1 0.26415 19.36800 11.67509 MB 137 0.00000 2184 137 LEU HD11 -0.12627 18.34476 11.85299 MB 137 0.00000 2185 137 LEU HD12 0.11886 19.64976 10.61144 MB 137 0.00000 2186 137 LEU HD13 -0.32703 20.07449 12.29234 MB 137 0.00000 2187 137 LEU CD2 1.92994 19.30600 13.55897 MB 137 0.00000 2188 137 LEU HD21 3.00101 19.36405 13.84663 MB 137 0.00000 2189 137 LEU HD22 1.53237 18.32252 13.89177 MB 137 0.00000 2190 137 LEU HD23 1.37160 20.10412 14.09365 MB 137 0.00000 2191 137 LEU C 3.05691 19.86100 9.42577 MB 137 0.00000 2192 137 LEU O 2.29487 20.87900 9.13101 MB 137 0.00000 2193 138 PHE N 4.37372 19.92300 9.43258 MB 138 0.00000 2194 138 PHE HN 4.90324 19.14271 9.76779 MB 138 0.00000 2195 138 PHE CA 5.15692 21.06400 8.92052 MB 138 0.00000 2196 138 PHE HA 4.92201 21.91905 9.54103 MB 138 0.00000 2197 138 PHE CB 6.71033 20.78600 9.00485 MB 138 0.00000 2198 138 PHE HB1 6.92717 19.83140 8.49297 MB 138 0.00000 2199 138 PHE HB2 6.97399 20.64131 10.07448 MB 138 0.00000 2200 138 PHE CG 7.69130 21.80400 8.43943 MB 138 0.00000 2201 138 PHE CD1 8.34914 21.65000 7.23625 MB 138 0.00000 2202 138 PHE HD1 8.18019 20.74094 6.67489 MB 138 0.00000 2203 138 PHE CD2 7.88721 23.00700 9.09156 MB 138 0.00000 2204 138 PHE HD2 7.37683 23.20978 10.01915 MB 138 0.00000 2205 138 PHE CE1 9.20946 22.63700 6.64939 MB 138 0.00000 2206 138 PHE HE1 9.68493 22.46928 5.69714 MB 138 0.00000 2207 138 PHE CE2 8.85574 23.96300 8.59466 MB 138 0.00000 2208 138 PHE HE2 9.03052 24.86812 9.15956 MB 138 0.00000 2209 138 PHE CZ 9.44988 23.77800 7.39767 MB 138 0.00000 2210 138 PHE HZ 10.13278 24.52784 7.01134 MB 138 0.00000 2211 138 PHE C 4.78439 21.46500 7.51494 MB 138 0.00000 2212 138 PHE O 4.45104 22.60600 7.27904 MB 138 0.00000 2213 139 ARG N 4.83051 20.50900 6.57207 MB 139 0.00000 2214 139 ARG HN 5.15677 19.60532 6.84935 MB 139 0.00000 2215 139 ARG CA 4.52267 20.63200 5.16021 MB 139 0.00000 2216 139 ARG HA 5.16051 21.39365 4.73351 MB 139 0.00000 2217 139 ARG CB 4.83168 19.24400 4.49324 MB 139 0.00000 2218 139 ARG HB1 3.95914 19.00862 3.83317 MB 139 0.00000 2219 139 ARG HB2 4.80696 18.46603 5.28342 MB 139 0.00000 2220 139 ARG CG 6.06614 18.96700 3.56865 MB 139 0.00000 2221 139 ARG HG1 7.01296 19.04458 4.14213 MB 139 0.00000 2222 139 ARG HG2 6.07497 19.79382 2.81798 MB 139 0.00000 2223 139 ARG CD 5.95989 17.67100 2.77420 MB 139 0.00000 2224 139 ARG HD1 6.62484 17.68655 1.88264 MB 139 0.00000 2225 139 ARG HD2 4.91224 17.48285 2.44205 MB 139 0.00000 2226 139 ARG NE 6.41869 16.62300 3.70222 MB 139 0.00000 2227 139 ARG HE 6.94164 16.94991 4.48004 MB 139 0.00000 2228 139 ARG CZ 6.01629 15.42000 3.84175 MB 139 0.00000 2229 139 ARG NH1 6.23413 14.80300 5.06141 MB 139 0.00000 2230 139 ARG HH11 6.70473 15.26788 5.79660 MB 139 0.00000 2231 139 ARG HH12 6.01802 13.81763 5.08114 MB 139 0.00000 2232 139 ARG NH2 5.35395 14.71100 3.00080 MB 139 0.00000 2233 139 ARG HH21 5.09661 13.78949 3.26841 MB 139 0.00000 2234 139 ARG HH22 4.95817 15.14894 2.19922 MB 139 0.00000 2235 139 ARG C 3.11487 21.09500 4.96128 MB 139 0.00000 2236 139 ARG O 2.76526 21.92700 4.12314 MB 139 0.00000 2237 140 LYS N 2.22480 20.50900 5.71781 MB 140 0.00000 2238 140 LYS HN 2.52323 19.78840 6.34424 MB 140 0.00000 2239 140 LYS CA 0.72841 20.72400 5.66211 MB 140 0.00000 2240 140 LYS HA 0.40943 20.62237 4.63409 MB 140 0.00000 2241 140 LYS CB 0.13873 19.64500 6.49096 MB 140 0.00000 2242 140 LYS HB1 0.40029 19.84086 7.55925 MB 140 0.00000 2243 140 LYS HB2 0.62931 18.68437 6.21590 MB 140 0.00000 2244 140 LYS CG -1.34521 19.36800 6.36674 MB 140 0.00000 2245 140 LYS HG1 -1.46000 18.53087 5.64597 MB 140 0.00000 2246 140 LYS HG2 -1.90306 20.25148 5.99419 MB 140 0.00000 2247 140 LYS CD -1.91197 18.90500 7.76302 MB 140 0.00000 2248 140 LYS HD1 -1.14555 18.33167 8.31851 MB 140 0.00000 2249 140 LYS HD2 -2.78610 18.24640 7.55857 MB 140 0.00000 2250 140 LYS CE -2.36191 20.13900 8.50999 MB 140 0.00000 2251 140 LYS HE1 -3.11551 20.71469 7.93575 MB 140 0.00000 2252 140 LYS HE2 -1.51975 20.79205 8.76815 MB 140 0.00000 2253 140 LYS NZ -3.03886 19.67600 9.81650 MB 140 0.00000 2254 140 LYS HZ1 -3.01563 18.63119 9.87093 MB 140 0.00000 2255 140 LYS HZ2 -4.04043 19.99601 9.74981 MB 140 0.00000 2256 140 LYS HZ3 -2.58143 20.11101 10.64054 MB 140 0.00000 2257 140 LYS C 0.46259 22.14300 6.09080 MB 140 0.00000 2258 140 LYS O -0.35312 22.82200 5.39837 MB 140 0.00000 2259 141 ASP N 1.01237 22.60600 7.21093 MB 141 0.00000 2260 141 ASP HN 1.50370 22.01273 7.86006 MB 141 0.00000 2261 141 ASP CA 0.73968 23.99400 7.67243 MB 141 0.00000 2262 141 ASP HA -0.31688 24.19303 7.52080 MB 141 0.00000 2263 141 ASP CB 1.09301 24.08600 9.18035 MB 141 0.00000 2264 141 ASP HB1 1.07000 25.11897 9.56868 MB 141 0.00000 2265 141 ASP HB2 2.03027 23.55925 9.43285 MB 141 0.00000 2266 141 ASP CG -0.13131 23.31500 9.70207 MB 141 0.00000 2267 141 ASP OD1 -1.29335 23.56200 9.88217 MB 141 0.00000 2268 141 ASP OD2 -0.01535 22.08100 9.75813 MB 141 0.00000 2269 141 ASP C 1.35434 24.98000 6.70753 MB 141 0.00000 2270 141 ASP O 0.77773 26.06000 6.42894 MB 141 0.00000 2271 142 ILE N 2.52750 24.54900 6.12447 MB 142 0.00000 2272 142 ILE HN 3.01317 23.71141 6.38734 MB 142 0.00000 2273 142 ILE CA 3.13549 25.53600 5.19438 MB 142 0.00000 2274 142 ILE HA 3.10724 26.53167 5.61363 MB 142 0.00000 2275 142 ILE CB 4.61702 25.07300 4.98327 MB 142 0.00000 2276 142 ILE HB 4.67436 23.95931 4.99212 MB 142 0.00000 2277 142 ILE CG2 5.04394 25.56600 3.66787 MB 142 0.00000 2278 142 ILE HG21 4.87482 26.66162 3.56388 MB 142 0.00000 2279 142 ILE HG22 4.52287 25.04970 2.84202 MB 142 0.00000 2280 142 ILE HG23 6.12908 25.38859 3.50724 MB 142 0.00000 2281 142 ILE CG1 5.33294 25.62800 6.22089 MB 142 0.00000 2282 142 ILE HG11 5.15322 24.94581 7.08220 MB 142 0.00000 2283 142 ILE HG12 4.89845 26.61585 6.49598 MB 142 0.00000 2284 142 ILE CD 6.80880 25.84400 6.04449 MB 142 0.00000 2285 142 ILE HD1 7.01970 26.62253 5.27923 MB 142 0.00000 2286 142 ILE HD2 7.30720 24.89977 5.73164 MB 142 0.00000 2287 142 ILE HD3 7.27369 26.17415 6.99986 MB 142 0.00000 2288 142 ILE C 2.29785 25.59700 3.93441 MB 142 0.00000 2289 142 ILE O 2.21689 26.70700 3.33845 MB 142 0.00000 2290 143 ALA N 1.89839 24.51800 3.36936 MB 143 0.00000 2291 143 ALA HN 2.17276 23.62941 3.75183 MB 143 0.00000 2292 143 ALA CA 0.97117 24.42500 2.25271 MB 143 0.00000 2293 143 ALA HA 1.46360 24.81142 1.36990 MB 143 0.00000 2294 143 ALA CB 0.51619 22.97600 1.99547 MB 143 0.00000 2295 143 ALA HB1 0.00716 22.54293 2.87709 MB 143 0.00000 2296 143 ALA HB2 1.40156 22.34331 1.76685 MB 143 0.00000 2297 143 ALA HB3 -0.15334 22.94617 1.11541 MB 143 0.00000 2298 143 ALA C -0.26710 25.28900 2.50653 MB 143 0.00000 2299 143 ALA O -0.52226 25.96700 1.49244 MB 143 0.00000 2300 144 ALA N -0.84870 25.25800 3.63600 MB 144 0.00000 2301 144 ALA HN -0.53435 24.65029 4.36600 MB 144 0.00000 2302 144 ALA CA -2.13913 26.02900 3.82857 MB 144 0.00000 2303 144 ALA HA -2.80956 25.82008 3.00917 MB 144 0.00000 2304 144 ALA CB -2.74571 25.53600 5.09409 MB 144 0.00000 2305 144 ALA HB1 -2.05531 25.68939 5.95182 MB 144 0.00000 2306 144 ALA HB2 -2.96198 24.44787 5.01578 MB 144 0.00000 2307 144 ALA HB3 -3.70501 26.05938 5.31268 MB 144 0.00000 2308 144 ALA C -1.73673 27.44800 3.68904 MB 144 0.00000 2309 144 ALA O -2.49441 28.24900 3.02513 MB 144 0.00000 2310 145 LYS N -0.48230 27.87900 4.03647 MB 145 0.00000 2311 145 LYS HN 0.20029 27.25586 4.42000 MB 145 0.00000 2312 145 LYS CA -0.13783 29.29800 3.86941 MB 145 0.00000 2313 145 LYS HA -0.97205 29.90508 4.19105 MB 145 0.00000 2314 145 LYS CB 1.11225 29.76100 4.58600 MB 145 0.00000 2315 145 LYS HB1 1.31408 30.84258 4.40049 MB 145 0.00000 2316 145 LYS HB2 1.98533 29.18265 4.19544 MB 145 0.00000 2317 145 LYS CG 1.03112 29.51400 6.06877 MB 145 0.00000 2318 145 LYS HG1 2.05696 29.57102 6.50589 MB 145 0.00000 2319 145 LYS HG2 0.67279 28.47927 6.26417 MB 145 0.00000 2320 145 LYS CD 0.14681 30.53200 6.79158 MB 145 0.00000 2321 145 LYS HD1 -0.44962 31.13346 6.06666 MB 145 0.00000 2322 145 LYS HD2 0.82845 31.26031 7.29590 MB 145 0.00000 2323 145 LYS CE -0.72942 29.91500 7.81502 MB 145 0.00000 2324 145 LYS HE1 -0.91145 30.61449 8.66038 MB 145 0.00000 2325 145 LYS HE2 -0.30226 28.97471 8.22078 MB 145 0.00000 2326 145 LYS NZ -2.13276 29.57600 7.24795 MB 145 0.00000 2327 145 LYS HZ1 -2.15314 29.47084 6.22061 MB 145 0.00000 2328 145 LYS HZ2 -2.77710 30.36694 7.51302 MB 145 0.00000 2329 145 LYS HZ3 -2.49008 28.69140 7.69110 MB 145 0.00000 2330 145 LYS C 0.12864 29.66800 2.40181 MB 145 0.00000 2331 145 LYS O -0.12857 30.84000 2.09120 MB 145 0.00000 2332 146 TYR N 0.75715 28.74300 1.70382 MB 146 0.00000 2333 146 TYR HN 1.00341 27.85418 2.09754 MB 146 0.00000 2334 146 TYR CA 1.01107 28.95900 0.30374 MB 146 0.00000 2335 146 TYR HA 1.56301 29.88415 0.19699 MB 146 0.00000 2336 146 TYR CB 1.81924 27.84900 -0.34436 MB 146 0.00000 2337 146 TYR HB1 1.59716 27.87134 -1.43561 MB 146 0.00000 2338 146 TYR HB2 1.41703 26.87358 0.01581 MB 146 0.00000 2339 146 TYR CG 3.25192 27.72500 -0.28248 MB 146 0.00000 2340 146 TYR CD1 3.99975 27.13900 -1.29346 MB 146 0.00000 2341 146 TYR HD1 3.44966 26.81665 -2.14225 MB 146 0.00000 2342 146 TYR CD2 3.98713 28.18800 0.85380 MB 146 0.00000 2343 146 TYR HD2 3.47673 28.62955 1.69247 MB 146 0.00000 2344 146 TYR CE1 5.38117 26.98500 -1.29392 MB 146 0.00000 2345 146 TYR HE1 5.93885 26.28580 -1.85850 MB 146 0.00000 2346 146 TYR CE2 5.41882 28.03400 0.91578 MB 146 0.00000 2347 146 TYR HE2 5.96629 28.38357 1.77774 MB 146 0.00000 2348 146 TYR CZ 6.05169 27.47800 -0.15135 MB 146 0.00000 2349 146 TYR OH 7.41967 27.35500 -0.08319 MB 146 0.00000 2350 146 TYR HH 7.71119 26.97354 -0.92747 MB 146 0.00000 2351 146 TYR C -0.34819 29.17500 -0.50271 MB 146 0.00000 2352 146 TYR O -0.33948 30.16200 -1.24101 MB 146 0.00000 2353 147 LYS N -1.24199 28.28000 -0.41596 MB 147 0.00000 2354 147 LYS HN -1.06582 27.43520 0.09965 MB 147 0.00000 2355 147 LYS CA -2.56254 28.37300 -1.09255 MB 147 0.00000 2356 147 LYS HA -2.40476 28.32185 -2.16483 MB 147 0.00000 2357 147 LYS CB -3.40366 27.17000 -0.60802 MB 147 0.00000 2358 147 LYS HB1 -3.54396 27.22258 0.49335 MB 147 0.00000 2359 147 LYS HB2 -2.83191 26.24419 -0.82080 MB 147 0.00000 2360 147 LYS CG -4.78223 27.04700 -1.31314 MB 147 0.00000 2361 147 LYS HG1 -4.59328 26.97196 -2.39459 MB 147 0.00000 2362 147 LYS HG2 -5.36548 27.97475 -1.11871 MB 147 0.00000 2363 147 LYS CD -5.50740 25.84400 -0.77255 MB 147 0.00000 2364 147 LYS HD1 -5.61211 25.90201 0.33278 MB 147 0.00000 2365 147 LYS HD2 -4.90849 24.93090 -1.00294 MB 147 0.00000 2366 147 LYS CE -6.89164 25.69000 -1.44296 MB 147 0.00000 2367 147 LYS HE1 -7.35299 24.74579 -1.09045 MB 147 0.00000 2368 147 LYS HE2 -6.84382 25.69725 -2.54765 MB 147 0.00000 2369 147 LYS NZ -7.79079 26.83100 -0.98696 MB 147 0.00000 2370 147 LYS HZ1 -7.65565 27.67159 -1.60171 MB 147 0.00000 2371 147 LYS HZ2 -7.61661 27.08648 0.00396 MB 147 0.00000 2372 147 LYS HZ3 -8.77744 26.52542 -1.10880 MB 147 0.00000 2373 147 LYS C -3.25138 29.69900 -0.75743 MB 147 0.00000 2374 147 LYS O -3.64648 30.37700 -1.69163 MB 147 0.00000 2375 148 GLU N -3.22464 30.13100 0.48078 MB 148 0.00000 2376 148 GLU HN -2.86256 29.54126 1.20078 MB 148 0.00000 2377 148 GLU CA -3.74059 31.42600 0.89958 MB 148 0.00000 2378 148 GLU HA -4.74831 31.54096 0.56966 MB 148 0.00000 2379 148 GLU CB -3.43852 31.70400 2.34516 MB 148 0.00000 2380 148 GLU HB1 -2.39012 31.38068 2.54591 MB 148 0.00000 2381 148 GLU HB2 -4.08795 30.97788 2.89688 MB 148 0.00000 2382 148 GLU CG -3.62013 33.03000 2.99977 MB 148 0.00000 2383 148 GLU HG1 -4.65380 33.39123 2.78719 MB 148 0.00000 2384 148 GLU HG2 -2.91745 33.78354 2.57651 MB 148 0.00000 2385 148 GLU CD -3.45213 33.03000 4.49252 MB 148 0.00000 2386 148 GLU OE1 -2.86635 33.89300 5.07264 MB 148 0.00000 2387 148 GLU OE2 -3.82484 32.01200 5.16567 MB 148 0.00000 2388 148 GLU C -3.03495 32.56700 0.12679 MB 148 0.00000 2389 148 GLU O -3.77878 33.52300 -0.27020 MB 148 0.00000 2390 149 LEU N -1.79668 32.47500 -0.12702 MB 149 0.00000 2391 149 LEU HN -1.28205 31.70062 0.23794 MB 149 0.00000 2392 149 LEU CA -1.02733 33.43100 -0.90599 MB 149 0.00000 2393 149 LEU HA -1.48122 34.40305 -0.75488 MB 149 0.00000 2394 149 LEU CB 0.46370 33.61600 -0.48105 MB 149 0.00000 2395 149 LEU HB1 0.93910 34.38366 -1.13138 MB 149 0.00000 2396 149 LEU HB2 0.95832 32.64191 -0.70661 MB 149 0.00000 2397 149 LEU CG 0.76576 33.95500 0.96453 MB 149 0.00000 2398 149 LEU HG 0.04305 33.38962 1.60505 MB 149 0.00000 2399 149 LEU CD1 2.16113 33.40000 1.23198 MB 149 0.00000 2400 149 LEU HD11 2.90764 33.88108 0.56604 MB 149 0.00000 2401 149 LEU HD12 2.18775 32.30172 1.06289 MB 149 0.00000 2402 149 LEU HD13 2.46237 33.59472 2.28316 MB 149 0.00000 2403 149 LEU CD2 0.69203 35.43500 1.37457 MB 149 0.00000 2404 149 LEU HD21 -0.22279 35.89230 0.94117 MB 149 0.00000 2405 149 LEU HD22 1.58873 35.98354 1.03547 MB 149 0.00000 2406 149 LEU HD23 0.64158 35.52843 2.47985 MB 149 0.00000 2407 149 LEU C -1.13163 33.18400 -2.40492 MB 149 0.00000 2408 149 LEU O -0.82829 34.17100 -3.03719 MB 149 0.00000 2409 150 GLY N -1.59569 32.10400 -2.96270 MB 150 0.00000 2410 150 GLY HN -1.91949 31.36220 -2.37109 MB 150 0.00000 2411 150 GLY CA -1.64773 31.91900 -4.39939 MB 150 0.00000 2412 150 GLY HA1 -1.74906 32.88189 -4.87025 MB 150 0.00000 2413 150 GLY HA2 -2.47477 31.25804 -4.60582 MB 150 0.00000 2414 150 GLY C -0.41763 31.27200 -4.95483 MB 150 0.00000 2415 150 GLY O -0.13632 31.45700 -6.15562 MB 150 0.00000 2416 151 TYR N 0.30264 30.53200 -4.08635 MB 151 0.00000 2417 151 TYR HN 0.00567 30.44764 -3.13094 MB 151 0.00000 2418 151 TYR CA 1.44515 29.66800 -4.49866 MB 151 0.00000 2419 151 TYR HA 1.61327 29.79671 -5.55938 MB 151 0.00000 2420 151 TYR CB 2.75325 29.97600 -3.75354 MB 151 0.00000 2421 151 TYR HB1 3.55297 29.27019 -4.04684 MB 151 0.00000 2422 151 TYR HB2 2.59227 29.88801 -2.65254 MB 151 0.00000 2423 151 TYR CG 3.24324 31.36400 -4.03620 MB 151 0.00000 2424 151 TYR CD1 4.22289 31.70400 -4.93605 MB 151 0.00000 2425 151 TYR HD1 4.76495 30.92274 -5.44477 MB 151 0.00000 2426 151 TYR CD2 2.56924 32.44400 -3.43427 MB 151 0.00000 2427 151 TYR HD2 1.76349 32.23037 -2.74744 MB 151 0.00000 2428 151 TYR CE1 4.63106 33.03000 -5.10930 MB 151 0.00000 2429 151 TYR HE1 5.44433 33.25950 -5.78457 MB 151 0.00000 2430 151 TYR CE2 2.91938 33.77000 -3.63604 MB 151 0.00000 2431 151 TYR HE2 2.34933 34.54975 -3.15039 MB 151 0.00000 2432 151 TYR CZ 3.95696 34.04700 -4.50836 MB 151 0.00000 2433 151 TYR OH 4.17881 35.40400 -4.69668 MB 151 0.00000 2434 151 TYR HH 3.44575 35.89380 -4.26522 MB 151 0.00000 2435 151 TYR C 1.03031 28.18800 -4.29061 MB 151 0.00000 2436 151 TYR O 0.25520 27.81800 -3.47792 MB 151 0.00000 2437 152 GLN N 1.68370 27.32400 -5.12563 MB 152 0.00000 2438 152 GLN HN 2.34912 27.68786 -5.76562 MB 152 0.00000 2439 152 GLN CA 1.50513 25.87500 -5.17461 MB 152 0.00000 2440 152 GLN HA 1.66579 25.59480 -6.20505 MB 152 0.00000 2441 152 GLN CB 2.66653 25.19600 -4.31580 MB 152 0.00000 2442 152 GLN HB1 2.36896 24.13166 -4.13468 MB 152 0.00000 2443 152 GLN HB2 2.72776 25.63629 -3.32670 MB 152 0.00000 2444 152 GLN CG 3.94080 25.01100 -5.10961 MB 152 0.00000 2445 152 GLN HG1 3.70206 24.71911 -6.15690 MB 152 0.00000 2446 152 GLN HG2 4.52344 24.17211 -4.68291 MB 152 0.00000 2447 152 GLN CD 4.82883 26.24500 -5.16265 MB 152 0.00000 2448 152 GLN OE1 4.93866 27.04700 -6.11170 MB 152 0.00000 2449 152 GLN NE2 5.56972 26.43000 -4.06108 MB 152 0.00000 2450 152 GLN HE21 6.11405 27.27455 -4.03103 MB 152 0.00000 2451 152 GLN HE22 5.41708 25.87141 -3.25364 MB 152 0.00000 2452 152 GLN C 0.13269 25.32000 -4.87462 MB 152 0.00000 2453 152 GLN O -0.86258 25.53600 -5.61594 MB 152 0.00000 2454 153 GLY N 0.00376 24.51800 -3.82224 MB 153 0.00000 2455 153 GLY HN 0.72033 24.43987 -3.13437 MB 153 0.00000 2456 153 GLY CA -1.24695 23.74700 -3.49990 MB 153 0.00000 2457 153 GLY HA1 -1.03356 22.70741 -3.68789 MB 153 0.00000 2458 153 GLY HA2 -2.07130 24.11130 -4.08005 MB 153 0.00000 2459 153 GLY C -1.58388 23.87000 -1.99230 MB 153 0.00000 2460 153 GLY OT1 -2.61611 23.28400 -1.48923 MB 153 0.00000 2461 153 GLY OT2 -1.06847 24.85700 -1.37119 MB 153 0.00000 2462 154 HEME FE 15.09006 27.69400 3.29659 HEM 1 0.00000 2463 154 HEME NA 15.58990 29.02000 4.68882 HEM 1 0.00000 2464 154 HEME NB 14.35509 26.49200 4.57458 HEM 1 0.00000 2465 154 HEME NC 14.67871 26.49200 1.76015 HEM 1 0.00000 2466 154 HEME ND 15.84215 28.92800 1.91547 HEM 1 0.00000 2467 154 HEME C1A 16.11304 30.28500 4.57173 HEM 1 0.00000 2468 154 HEME C2A 16.18428 30.93300 5.90609 HEM 1 0.00000 2469 154 HEME C3A 15.65243 30.06900 6.76147 HEM 1 0.00000 2470 154 HEME C4A 15.39967 28.86600 6.08271 HEM 1 0.00000 2471 154 HEME C1B 14.28640 26.58400 5.98883 HEM 1 0.00000 2472 154 HEME C2B 13.62493 25.44300 6.52323 HEM 1 0.00000 2473 154 HEME C3B 13.36390 24.61000 5.54186 HEM 1 0.00000 2474 154 HEME C4B 13.77838 25.25800 4.29498 HEM 1 0.00000 2475 154 HEME C1C 14.16144 25.19600 1.84451 HEM 1 0.00000 2476 154 HEME C2C 14.25632 24.51800 0.62766 HEM 1 0.00000 2477 154 HEME C3C 14.79484 25.38100 -0.26253 HEM 1 0.00000 2478 154 HEME C4C 14.97822 26.64600 0.45712 HEM 1 0.00000 2479 154 HEME C1D 15.96301 28.74300 0.56247 HEM 1 0.00000 2480 154 HEME C2D 16.64278 29.94600 -0.07317 HEM 1 0.00000 2481 154 HEME C3D 16.89127 30.74700 0.97573 HEM 1 0.00000 2482 154 HEME C4D 16.36183 30.19200 2.16644 HEM 1 0.00000 2483 154 HEME CHA 16.57291 30.80900 3.41991 HEM 1 0.00000 2484 154 HEME HA 16.99987 31.80594 3.45484 HEM 1 0.00000 2485 154 HEME CHB 14.78937 27.69400 6.67846 HEM 1 0.00000 2486 154 HEME HB 14.73901 27.64698 7.76285 HEM 1 0.00000 2487 154 HEME CHC 13.75840 24.73400 3.02296 HEM 1 0.00000 2488 154 HEME HC 13.35834 23.72703 2.97533 HEM 1 0.00000 2489 154 HEME CHD 15.54303 27.72500 -0.23468 HEM 1 0.00000 2490 154 HEME HD 15.70465 27.76123 -1.30619 HEM 1 0.00000 2491 154 HEME CMA 15.43723 30.19200 8.29142 HEM 1 0.00000 2492 154 HEME HMA1 14.35377 30.28576 8.51153 HEM 1 0.00000 2493 154 HEME HMA2 15.98208 31.07812 8.67527 HEM 1 0.00000 2494 154 HEME HMA3 15.84554 29.29441 8.79892 HEM 1 0.00000 2495 154 HEME CAA 16.63926 32.35100 6.16334 HEM 1 0.00000 2496 154 HEME HAA1 17.20162 32.71829 5.27695 HEM 1 0.00000 2497 154 HEME HAA2 17.35746 32.34564 7.01292 HEM 1 0.00000 2498 154 HEME CBA 15.51595 33.36900 6.47331 HEM 1 0.00000 2499 154 HEME HBA1 15.93929 34.39123 6.55727 HEM 1 0.00000 2500 154 HEME HBA2 15.03513 33.10576 7.43243 HEM 1 0.00000 2501 154 HEME CGA 14.45557 33.36900 5.40274 HEM 1 0.00000 2502 154 HEME O1A 13.39695 32.72100 5.70643 HEM 1 0.00000 2503 154 HEME O2A 14.67318 33.83100 4.20813 HEM 1 0.00000 2504 154 HEME CMB 13.34593 25.28900 8.05836 HEM 1 0.00000 2505 154 HEME HMB1 13.07531 26.27178 8.49821 HEM 1 0.00000 2506 154 HEME HMB2 14.25283 24.90291 8.57062 HEM 1 0.00000 2507 154 HEME HMB3 12.50569 24.58240 8.22626 HEM 1 0.00000 2508 154 HEME CAB 12.74311 23.22300 5.50164 HEM 1 0.00000 2509 154 HEME HAB 12.19939 22.84251 4.62540 HEM 1 0.00000 2510 154 HEME CBB 13.19047 22.39000 6.49809 HEM 1 0.00000 2511 154 HEME HBB1 13.82792 22.75712 7.31627 HEM 1 0.00000 2512 154 HEME HBB2 12.95020 21.31639 6.48367 HEM 1 0.00000 2513 154 HEME CMC 13.80701 23.06800 0.33570 HEM 1 0.00000 2514 154 HEME HMC1 13.17018 22.67938 1.15688 HEM 1 0.00000 2515 154 HEME HMC2 14.69456 22.40735 0.23925 HEM 1 0.00000 2516 154 HEME HMC3 13.21428 23.03852 -0.59943 HEM 1 0.00000 2517 154 HEME CAC 15.13744 25.19600 -1.80485 HEM 1 0.00000 2518 154 HEME HAC 15.38751 26.07186 -2.42147 HEM 1 0.00000 2519 154 HEME CBC 15.23047 23.99400 -2.31623 HEM 1 0.00000 2520 154 HEME HBC1 15.09141 23.06895 -1.75117 HEM 1 0.00000 2521 154 HEME HBC2 15.50448 23.90129 -3.37553 HEM 1 0.00000 2522 154 HEME CMD 16.85798 30.13100 -1.60312 HEM 1 0.00000 2523 154 HEME HMD1 15.92482 30.48744 -2.08422 HEM 1 0.00000 2524 154 HEME HMD2 17.17280 29.17203 -2.06642 HEM 1 0.00000 2525 154 HEME HMD3 17.65442 30.87923 -1.79125 HEM 1 0.00000 2526 154 HEME CAD 17.60641 32.10400 0.83900 HEM 1 0.00000 2527 154 HEME HAD1 17.00155 32.88215 1.35339 HEM 1 0.00000 2528 154 HEME HAD2 17.65941 32.38609 -0.23470 HEM 1 0.00000 2529 154 HEME CBD 19.00309 32.07400 1.44088 HEM 1 0.00000 2530 154 HEME HBD1 19.46687 31.11670 1.08651 HEM 1 0.00000 2531 154 HEME HBD2 18.88977 31.94242 2.54431 HEM 1 0.00000 2532 154 HEME CGD 19.98656 33.09100 1.21180 HEM 1 0.00000 2533 154 HEME O1D 20.21561 33.27600 -0.05124 HEM 1 0.00000 2534 154 HEME O2D 20.43959 33.67700 2.17353 HEM 1 0.00000 2535 155 CO C 16.81627 26.86200 3.46361 CO 1 0.00000 2536 155 CO O 17.80310 26.67700 2.86547 CO 1 0.00000 2537 156 TIP3 OH2 0.42160 17.81589 16.18014 XTLW 1 65.40751 2538 156 TIP3 H1 -0.15890 18.36825 15.61483 XTLW 1 0.00000 2539 156 TIP3 H2 0.31640 18.28267 17.03341 XTLW 1 0.00000 2540 157 TIP3 OH2 -0.82053 13.46231 12.91213 XTLW 2 47.92578 2541 157 TIP3 H1 -0.97436 12.59902 12.48934 XTLW 2 0.00000 2542 157 TIP3 H2 -0.07389 13.84501 12.39577 XTLW 2 0.00000 2543 158 TIP3 OH2 0.50396 7.44754 18.82974 XTLW 3 20.68882 2544 158 TIP3 H1 0.36392 7.00857 19.69788 XTLW 3 0.00000 2545 158 TIP3 H2 1.16758 6.86835 18.41674 XTLW 3 0.00000 2546 159 TIP3 OH2 4.42123 4.44059 13.32118 XTLW 4 20.40984 2547 159 TIP3 H1 4.57850 4.98428 12.52106 XTLW 4 0.00000 2548 159 TIP3 H2 5.12284 3.76649 13.25572 XTLW 4 0.00000 2549 160 TIP3 OH2 4.86914 5.79621 18.10162 XTLW 5 22.61859 2550 160 TIP3 H1 3.97914 5.93726 17.72132 XTLW 5 0.00000 2551 160 TIP3 H2 4.75114 6.23648 18.96151 XTLW 5 0.00000 2552 161 TIP3 OH2 5.75346 6.76613 15.67773 XTLW 6 41.44640 2553 161 TIP3 H1 5.63669 6.38204 16.56831 XTLW 6 0.00000 2554 161 TIP3 H2 6.71047 6.65705 15.53384 XTLW 6 0.00000 2555 162 TIP3 OH2 -1.78710 18.88223 26.97706 XTLW 7 15.22358 2556 162 TIP3 H1 -0.93023 18.47426 27.14725 XTLW 7 0.00000 2557 162 TIP3 H2 -2.28186 18.68677 27.81434 XTLW 7 0.00000 2558 163 TIP3 OH2 1.81088 17.73793 22.53201 XTLW 8 47.33933 2559 163 TIP3 H1 1.24099 17.04767 22.13769 XTLW 8 0.00000 2560 163 TIP3 H2 2.07568 17.29998 23.36744 XTLW 8 0.00000 2561 164 TIP3 OH2 8.22648 15.53502 25.63317 XTLW 9 37.38118 2562 164 TIP3 H1 9.04215 15.48823 25.08955 XTLW 9 0.00000 2563 164 TIP3 H2 8.13815 16.52428 25.70036 XTLW 9 0.00000 2564 165 TIP3 OH2 5.98884 14.56087 26.51286 XTLW 10 63.73281 2565 165 TIP3 H1 6.87647 14.82781 26.20557 XTLW 10 0.00000 2566 165 TIP3 H2 5.44171 14.97060 25.81888 XTLW 10 0.00000 2567 166 TIP3 OH2 13.50218 3.75662 18.43926 XTLW 11 49.76321 2568 166 TIP3 H1 12.62633 3.78362 17.97305 XTLW 11 0.00000 2569 166 TIP3 H2 13.54267 4.65220 18.84631 XTLW 11 0.00000 2570 167 TIP3 OH2 16.83809 1.58925 16.97515 XTLW 12 40.92148 2571 167 TIP3 H1 17.37115 2.25890 16.52601 XTLW 12 0.00000 2572 167 TIP3 H2 17.47225 1.21147 17.62167 XTLW 12 0.00000 2573 168 TIP3 OH2 14.12717 8.89287 19.59200 XTLW 13 41.48996 2574 168 TIP3 H1 14.67840 8.55950 18.85711 XTLW 13 0.00000 2575 168 TIP3 H2 13.56223 9.55099 19.16591 XTLW 13 0.00000 2576 169 TIP3 OH2 17.64410 7.15502 21.83506 XTLW 14 51.77374 2577 169 TIP3 H1 17.91525 6.22724 21.77640 XTLW 14 0.00000 2578 169 TIP3 H2 17.13536 7.17583 22.66029 XTLW 14 0.00000 2579 170 TIP3 OH2 13.02718 12.32220 25.67313 XTLW 15 34.29118 2580 170 TIP3 H1 13.73200 12.91124 25.32799 XTLW 15 0.00000 2581 170 TIP3 H2 12.52998 12.96075 26.22451 XTLW 15 0.00000 2582 171 TIP3 OH2 20.98257 10.97928 24.26866 XTLW 16 29.01575 2583 171 TIP3 H1 21.73304 10.38231 24.43277 XTLW 16 0.00000 2584 171 TIP3 H2 21.43998 11.85242 24.31949 XTLW 16 0.00000 2585 172 TIP3 OH2 24.87868 14.26807 16.93142 XTLW 17 60.72599 2586 172 TIP3 H1 24.29663 14.91823 17.37633 XTLW 17 0.00000 2587 172 TIP3 H2 25.06426 13.64984 17.68227 XTLW 17 0.00000 2588 173 TIP3 OH2 25.74340 12.67793 14.99697 XTLW 18 33.88284 2589 173 TIP3 H1 26.70516 12.71351 15.20196 XTLW 18 0.00000 2590 173 TIP3 H2 25.42315 13.30894 15.68143 XTLW 18 0.00000 2591 174 TIP3 OH2 23.24834 9.28876 18.68233 XTLW 19 51.79912 2592 174 TIP3 H1 22.65051 8.70835 19.21284 XTLW 19 0.00000 2593 174 TIP3 H2 23.69696 9.82771 19.38466 XTLW 19 0.00000 2594 175 TIP3 OH2 27.64559 9.21746 12.93042 XTLW 20 13.89507 2595 175 TIP3 H1 28.60210 9.36004 12.88980 XTLW 20 0.00000 2596 175 TIP3 H2 27.42794 9.28589 11.97316 XTLW 20 0.00000 2597 176 TIP3 OH2 31.65395 6.43099 9.90167 XTLW 21 0.00000 2598 176 TIP3 H1 32.44307 6.06708 9.44599 XTLW 21 0.00000 2599 176 TIP3 H2 30.95986 6.15726 9.26152 XTLW 21 0.00000 2600 177 TIP3 OH2 30.69206 12.01067 11.75021 XTLW 22 3.60763 2601 177 TIP3 H1 31.42224 11.38645 11.96474 XTLW 22 0.00000 2602 177 TIP3 H2 30.28996 11.52263 11.00446 XTLW 22 0.00000 2603 178 TIP3 OH2 17.91310 24.78493 17.88542 XTLW 23 41.99445 2604 178 TIP3 H1 17.94178 23.81986 18.10509 XTLW 23 0.00000 2605 178 TIP3 H2 18.75456 24.92228 17.43414 XTLW 23 0.00000 2606 179 TIP3 OH2 15.54865 25.67931 18.83569 XTLW 24 41.69482 2607 179 TIP3 H1 16.45249 25.48667 18.48430 XTLW 24 0.00000 2608 179 TIP3 H2 15.06541 25.81040 18.01109 XTLW 24 0.00000 2609 180 TIP3 OH2 18.08550 27.04600 21.38062 XTLW 25 10.56006 2610 180 TIP3 H1 17.17390 27.01697 21.75305 XTLW 25 0.00000 2611 180 TIP3 H2 18.23712 26.10277 21.21215 XTLW 25 0.00000 2612 181 TIP3 OH2 16.89225 22.83918 23.17746 XTLW 26 26.26865 2613 181 TIP3 H1 17.19353 23.56657 23.75661 XTLW 26 0.00000 2614 181 TIP3 H2 17.18999 22.04329 23.67197 XTLW 26 0.00000 2615 182 TIP3 OH2 34.06289 25.01438 -2.34514 XTLW 27 66.71526 2616 182 TIP3 H1 33.80922 25.91479 -2.01878 XTLW 27 0.00000 2617 182 TIP3 H2 33.34942 24.47230 -1.96746 XTLW 27 0.00000 2618 183 TIP3 OH2 27.05723 12.10029 6.76094 XTLW 28 44.23691 2619 183 TIP3 H1 27.35045 12.64085 6.02222 XTLW 28 0.00000 2620 183 TIP3 H2 26.79783 12.83513 7.37101 XTLW 28 0.00000 2621 184 TIP3 OH2 17.30482 11.12630 -1.07903 XTLW 29 39.31515 2622 184 TIP3 H1 16.66593 11.83234 -0.90414 XTLW 29 0.00000 2623 184 TIP3 H2 17.04282 10.84000 -1.98140 XTLW 29 0.00000 2624 185 TIP3 OH2 14.08292 12.21347 -1.87552 XTLW 30 33.09327 2625 185 TIP3 H1 14.68352 12.72913 -1.30037 XTLW 30 0.00000 2626 185 TIP3 H2 14.24437 12.70184 -2.70994 XTLW 30 0.00000 2627 186 TIP3 OH2 15.86891 13.69112 -0.39578 XTLW 31 65.43238 2628 186 TIP3 H1 15.42264 14.38659 0.11535 XTLW 31 0.00000 2629 186 TIP3 H2 16.70347 14.10831 -0.63780 XTLW 31 0.00000 2630 187 TIP3 OH2 12.24956 8.43623 4.28622 XTLW 32 49.94159 2631 187 TIP3 H1 12.45621 7.67919 3.72447 XTLW 32 0.00000 2632 187 TIP3 H2 11.87696 9.07809 3.63318 XTLW 32 0.00000 2633 188 TIP3 OH2 13.70655 5.45709 4.33381 XTLW 33 17.64889 2634 188 TIP3 H1 13.30708 5.27597 5.19122 XTLW 33 0.00000 2635 188 TIP3 H2 14.12945 4.57788 4.15322 XTLW 33 0.00000 2636 189 TIP3 OH2 30.30365 12.11203 -4.60621 XTLW 34 25.75642 2637 189 TIP3 H1 30.37737 12.73506 -3.86077 XTLW 34 0.00000 2638 189 TIP3 H2 30.54743 12.67714 -5.38638 XTLW 34 0.00000 2639 190 TIP3 OH2 23.02475 19.67926 -13.23664 XTLW 35 22.17754 2640 190 TIP3 H1 23.49350 20.50768 -13.01873 XTLW 35 0.00000 2641 190 TIP3 H2 23.65925 19.30794 -13.86294 XTLW 35 0.00000 2642 191 TIP3 OH2 16.59742 15.86136 -9.89225 XTLW 36 51.58716 2643 191 TIP3 H1 16.39746 16.77210 -9.54251 XTLW 36 0.00000 2644 191 TIP3 H2 17.08401 16.08437 -10.68321 XTLW 36 0.00000 2645 192 TIP3 OH2 14.59156 26.37870 -11.10310 XTLW 37 18.54269 2646 192 TIP3 H1 15.37651 26.26413 -11.69047 XTLW 37 0.00000 2647 192 TIP3 H2 14.48658 27.35090 -11.15099 XTLW 37 0.00000 2648 193 TIP3 OH2 24.02222 25.30055 -10.33758 XTLW 38 80.01798 2649 193 TIP3 H1 24.46912 25.94920 -9.77053 XTLW 38 0.00000 2650 193 TIP3 H2 23.24341 25.80554 -10.68134 XTLW 38 0.00000 2651 194 TIP3 OH2 14.58880 24.69353 -8.98055 XTLW 39 55.98260 2652 194 TIP3 H1 15.49584 24.38575 -8.77953 XTLW 39 0.00000 2653 194 TIP3 H2 14.72468 25.22468 -9.79442 XTLW 39 0.00000 2654 195 TIP3 OH2 13.82975 31.05608 -8.71178 XTLW 40 26.88614 2655 195 TIP3 H1 14.70477 30.91007 -9.14508 XTLW 40 0.00000 2656 195 TIP3 H2 14.07838 31.82345 -8.16448 XTLW 40 0.00000 2657 196 TIP3 OH2 27.16479 31.26840 -6.53777 XTLW 41 55.57853 2658 196 TIP3 H1 27.51503 32.18473 -6.42750 XTLW 41 0.00000 2659 196 TIP3 H2 26.22511 31.41522 -6.29371 XTLW 41 0.00000 2660 197 TIP3 OH2 28.02482 33.79557 -6.74676 XTLW 42 2.26698 2661 197 TIP3 H1 28.05967 34.20229 -7.63409 XTLW 42 0.00000 2662 197 TIP3 H2 28.53846 34.43493 -6.21416 XTLW 42 0.00000 2663 198 TIP3 OH2 27.95541 34.44537 -9.38750 XTLW 43 0.00000 2664 198 TIP3 H1 28.47530 34.78861 -10.14051 XTLW 43 0.00000 2665 198 TIP3 H2 27.09842 34.90829 -9.50606 XTLW 43 0.00000 2666 199 TIP3 OH2 27.38857 33.86510 0.40806 XTLW 44 6.78940 2667 199 TIP3 H1 27.10966 33.05286 0.89871 XTLW 44 0.00000 2668 199 TIP3 H2 28.13863 33.43634 -0.06059 XTLW 44 0.00000 2669 200 TIP3 OH2 30.96897 16.32714 -10.07696 XTLW 45 34.32622 2670 200 TIP3 H1 31.16827 15.52608 -9.53668 XTLW 45 0.00000 2671 200 TIP3 H2 30.21247 16.65020 -9.55721 XTLW 45 0.00000 2672 201 TIP3 OH2 35.15155 20.19660 8.62388 XTLW 46 18.46637 2673 201 TIP3 H1 35.93975 20.74724 8.39508 XTLW 46 0.00000 2674 201 TIP3 H2 35.31934 19.41732 8.06303 XTLW 46 0.00000 2675 202 TIP3 OH2 34.28587 25.20955 5.57209 XTLW 47 67.25227 2676 202 TIP3 H1 33.86841 25.67277 4.83480 XTLW 47 0.00000 2677 202 TIP3 H2 33.90156 25.70540 6.33914 XTLW 47 0.00000 2678 203 TIP3 OH2 17.05568 30.00257 11.91009 XTLW 48 42.43193 2679 203 TIP3 H1 17.47373 29.30270 11.37097 XTLW 48 0.00000 2680 203 TIP3 H2 17.81412 30.54740 12.15972 XTLW 48 0.00000 2681 204 TIP3 OH2 6.00376 21.69861 15.81097 XTLW 49 92.06804 2682 204 TIP3 H1 6.50489 20.87729 15.84399 XTLW 49 0.00000 2683 204 TIP3 H2 6.66660 22.34839 16.12813 XTLW 49 0.00000 2684 205 TIP3 OH2 -0.87827 25.86460 25.57417 XTLW 50 16.89685 2685 205 TIP3 H1 -0.48751 26.57821 25.02483 XTLW 50 0.00000 2686 205 TIP3 H2 -0.86764 26.29035 26.45266 XTLW 50 0.00000 2687 206 TIP3 OH2 -1.32658 19.41140 14.71437 XTLW 51 10.65409 2688 206 TIP3 H1 -1.15177 20.36532 14.80270 XTLW 51 0.00000 2689 206 TIP3 H2 -2.03587 19.40623 14.05169 XTLW 51 0.00000 2690 207 TIP3 OH2 12.69832 31.31734 10.21631 XTLW 52 29.42888 2691 207 TIP3 H1 11.84710 31.05113 10.57668 XTLW 52 0.00000 2692 207 TIP3 H2 12.42343 31.65535 9.32666 XTLW 52 0.00000 2693 208 TIP3 OH2 8.18621 37.73041 7.35550 XTLW 53 25.12481 2694 208 TIP3 H1 9.08109 38.06860 7.14811 XTLW 53 0.00000 2695 208 TIP3 H2 8.06058 37.10474 6.63199 XTLW 53 0.00000 2696 209 TIP3 OH2 1.93072 37.77295 12.13855 XTLW 54 15.74776 2697 209 TIP3 H1 2.06834 38.40889 11.40969 XTLW 54 0.00000 2698 209 TIP3 H2 2.63773 38.01784 12.77835 XTLW 54 0.00000 2699 210 TIP3 OH2 9.40663 39.03492 1.80673 XTLW 55 63.97276 2700 210 TIP3 H1 10.09481 39.68779 2.06851 XTLW 55 0.00000 2701 210 TIP3 H2 9.07736 38.76245 2.68262 XTLW 55 0.00000 2702 211 TIP3 OH2 7.44968 28.34690 -6.97232 XTLW 56 37.71090 2703 211 TIP3 H1 7.33125 28.43618 -6.01286 XTLW 56 0.00000 2704 211 TIP3 H2 6.64272 28.80510 -7.28427 XTLW 56 0.00000 2705 212 TIP3 OH2 6.74144 29.08648 -4.19298 XTLW 57 63.88980 2706 212 TIP3 H1 7.33005 28.97900 -3.43540 XTLW 57 0.00000 2707 212 TIP3 H2 6.45656 30.00822 -4.10475 XTLW 57 0.00000 2708 213 TIP3 OH2 9.70616 13.08206 5.28739 XTLW 58 50.28925 2709 213 TIP3 H1 9.86105 12.45019 4.53716 XTLW 58 0.00000 2710 213 TIP3 H2 10.58790 13.11021 5.66950 XTLW 58 0.00000 2711 214 TIP3 OH2 16.24936 2.08408 12.27826 XTLW 59 24.67797 2712 214 TIP3 H1 15.69010 1.38652 12.65883 XTLW 59 0.00000 2713 214 TIP3 H2 15.85341 2.13152 11.38510 XTLW 59 0.00000 2714 215 TIP3 OH2 14.90072 6.34334 8.88760 XTLW 60 64.22022 2715 215 TIP3 H1 14.41989 5.82440 8.23790 XTLW 60 0.00000 2716 215 TIP3 H2 14.87250 5.77061 9.67975 XTLW 60 0.00000 2717 216 TIP3 OH2 14.54393 -0.02280 12.55461 XTLW 61 22.17792 2718 216 TIP3 H1 15.38228 -0.44723 12.24567 XTLW 61 0.00000 2719 216 TIP3 H2 14.01188 -0.00934 11.73843 XTLW 61 0.00000 2720 217 TIP3 OH2 -4.41667 21.40836 -1.86661 XTLW 62 38.05970 2721 217 TIP3 H1 -3.77261 22.15060 -1.82805 XTLW 62 0.00000 2722 217 TIP3 H2 -5.19100 21.79310 -1.44553 XTLW 62 0.00000 2723 218 TIP3 OH2 4.69904 30.11019 -11.02936 XTLW 63 0.43216 2724 218 TIP3 H1 5.19981 30.50023 -10.28756 XTLW 63 0.00000 2725 218 TIP3 H2 4.88642 30.77824 -11.71244 XTLW 63 0.00000 2726 219 TIP3 OH2 1.47034 27.48873 -8.94290 XTLW 64 21.83918 2727 219 TIP3 H1 0.92248 26.77022 -8.55814 XTLW 64 0.00000 2728 219 TIP3 H2 0.70632 28.05881 -9.19322 XTLW 64 0.00000 2729 220 TIP3 OH2 2.46467 30.09099 -8.26587 XTLW 65 7.34750 2730 220 TIP3 H1 2.13101 29.18247 -8.35905 XTLW 65 0.00000 2731 220 TIP3 H2 1.62551 30.59993 -8.27008 XTLW 65 0.00000 2732 221 TIP3 OH2 -0.81765 28.87389 -9.09571 XTLW 66 10.84432 2733 221 TIP3 H1 -0.67901 29.74386 -8.68028 XTLW 66 0.00000 2734 221 TIP3 H2 -1.47363 28.45073 -8.47806 XTLW 66 0.00000 2735 222 TIP3 OH2 -0.66135 25.88519 -8.20792 XTLW 67 8.09213 2736 222 TIP3 H1 -0.65335 25.62552 -7.26375 XTLW 67 0.00000 2737 222 TIP3 H2 -1.39154 26.55462 -8.10066 XTLW 67 0.00000 2738 223 TIP3 OH2 0.13022 23.04859 -7.16416 XTLW 68 8.18628 2739 223 TIP3 H1 -0.74642 23.34621 -6.83789 XTLW 68 0.00000 2740 223 TIP3 H2 0.11079 23.39284 -8.06962 XTLW 68 0.00000 2741 224 TIP3 OH2 -2.44702 23.82557 -6.77881 XTLW 69 2.27548 2742 224 TIP3 H1 -2.24614 24.66221 -6.31275 XTLW 69 0.00000 2743 224 TIP3 H2 -3.31650 24.03032 -7.13905 XTLW 69 0.00000 2744 225 TIP3 OH2 -4.15736 24.51934 -8.84776 XTLW 70 0.29428 2745 225 TIP3 H1 -4.81031 23.79060 -8.85626 XTLW 70 0.00000 2746 225 TIP3 H2 -4.62250 25.15322 -8.26646 XTLW 70 0.00000 2747 226 TIP3 OH2 0.08732 31.45136 -8.73369 XTLW 71 17.02815 2748 226 TIP3 H1 -0.43365 32.13132 -9.17478 XTLW 71 0.00000 2749 226 TIP3 H2 -0.05786 31.66016 -7.77951 XTLW 71 0.00000 2750 227 TIP3 OH2 -2.36694 21.68816 3.63865 XTLW 72 48.60356 2751 227 TIP3 H1 -1.64590 22.17814 4.06837 XTLW 72 0.00000 2752 227 TIP3 H2 -2.23237 21.89665 2.69211 XTLW 72 0.00000 2753 228 TIP3 OH2 -4.07022 25.32447 -3.99539 XTLW 73 81.74153 2754 228 TIP3 H1 -3.45763 24.98759 -3.32435 XTLW 73 0.00000 2755 228 TIP3 H2 -3.50968 25.99187 -4.46238 XTLW 73 0.00000 2756 229 TIP3 OH2 -5.61045 20.45147 9.10970 XTLW 74 18.03234 2757 229 TIP3 H1 -6.09855 21.18048 8.67614 XTLW 74 0.00000 2758 229 TIP3 H2 -6.34606 19.82055 9.22531 XTLW 74 0.00000 2759 230 TIP3 OH2 0.20832 22.53769 12.52719 XTLW 75 48.39796 2760 230 TIP3 H1 1.10198 22.95473 12.52053 XTLW 75 0.00000 2761 230 TIP3 H2 0.15712 22.24580 11.58275 XTLW 75 0.00000 2762 231 TIP3 OH2 -0.85257 22.16465 14.97294 XTLW 76 29.03503 2763 231 TIP3 H1 -0.47783 22.21262 14.05723 XTLW 76 0.00000 2764 231 TIP3 H2 -0.24377 22.81076 15.39048 XTLW 76 0.00000 2765 232 TIP3 OH2 0.18209 26.27634 13.16103 XTLW 77 45.30318 2766 232 TIP3 H1 -0.52684 25.72370 12.80261 XTLW 77 0.00000 2767 232 TIP3 H2 -0.21437 26.58429 14.00764 XTLW 77 0.00000 2768 233 TIP3 OH2 5.19914 21.88410 -5.44903 XTLW 78 49.11043 2769 233 TIP3 H1 4.25966 21.89643 -5.73235 XTLW 78 0.00000 2770 233 TIP3 H2 5.64872 21.74515 -6.30113 XTLW 78 0.00000 2771 234 TIP3 OH2 5.59665 12.11344 4.45625 XTLW 79 55.72880 2772 234 TIP3 H1 5.48209 11.18313 4.16520 XTLW 79 0.00000 2773 234 TIP3 H2 4.70787 12.15862 4.89850 XTLW 79 0.00000 2774 235 TIP3 OH2 10.60964 7.54035 6.24919 XTLW 80 50.84017 2775 235 TIP3 H1 11.22146 7.99087 5.62167 XTLW 80 0.00000 2776 235 TIP3 H2 11.23038 6.88806 6.63837 XTLW 80 0.00000 2777 236 TIP3 OH2 -3.79100 29.45744 5.01923 XTLW 81 50.88660 2778 236 TIP3 H1 -3.71968 30.45631 4.97895 XTLW 81 0.00000 2779 236 TIP3 H2 -3.39437 29.17859 4.16838 XTLW 81 0.00000 2780 237 TIP3 OH2 -3.55980 31.68429 8.17881 XTLW 82 3.54197 2781 237 TIP3 H1 -3.99674 32.34936 7.61821 XTLW 82 0.00000 2782 237 TIP3 H2 -4.21365 31.52895 8.88382 XTLW 82 0.00000 2783 238 TIP3 OH2 -4.26097 12.66559 14.99704 XTLW 83 16.95942 2784 238 TIP3 H1 -3.61759 12.06824 15.42887 XTLW 83 0.00000 2785 238 TIP3 H2 -4.94217 12.64625 15.72138 XTLW 83 0.00000 2786 239 TIP3 OH2 -2.91621 27.18309 8.28199 XTLW 84 13.45778 2787 239 TIP3 H1 -2.82059 26.23339 8.07169 XTLW 84 0.00000 2788 239 TIP3 H2 -3.51708 27.09859 9.04652 XTLW 84 0.00000 2789 240 TIP3 OH2 -6.50231 26.58922 7.28025 XTLW 85 12.33650 2790 240 TIP3 H1 -7.08223 26.97170 6.58972 XTLW 85 0.00000 2791 240 TIP3 H2 -6.38764 25.68266 6.91540 XTLW 85 0.00000 2792 241 TIP3 OH2 -0.36090 39.28197 11.93211 XTLW 86 9.25275 2793 241 TIP3 H1 0.28457 39.55284 11.24716 XTLW 86 0.00000 2794 241 TIP3 H2 0.15012 38.55665 12.33767 XTLW 86 0.00000 2795 242 TIP3 OH2 0.55434 34.67432 12.05470 XTLW 87 35.29101 2796 242 TIP3 H1 -0.38259 34.76255 12.34317 XTLW 87 0.00000 2797 242 TIP3 H2 1.03605 35.03140 12.82091 XTLW 87 0.00000 2798 243 TIP3 OH2 -2.15015 33.67999 9.56633 XTLW 88 33.12024 2799 243 TIP3 H1 -1.91088 33.53033 8.62380 XTLW 88 0.00000 2800 243 TIP3 H2 -2.82066 32.97955 9.64712 XTLW 88 0.00000 2801 244 TIP3 OH2 0.72473 34.35522 5.06097 XTLW 89 64.26128 2802 244 TIP3 H1 -0.00204 34.99391 4.85855 XTLW 89 0.00000 2803 244 TIP3 H2 0.86134 33.95653 4.19406 XTLW 89 0.00000 2804 245 TIP3 OH2 -4.51478 31.60416 10.77266 XTLW 90 1.66954 2805 245 TIP3 H1 -5.07420 31.40483 11.55126 XTLW 90 0.00000 2806 245 TIP3 H2 -3.64654 31.22956 11.05697 XTLW 90 0.00000 2807 246 TIP3 OH2 3.78755 20.92879 -8.75129 XTLW 91 7.56645 2808 246 TIP3 H1 3.97525 20.56050 -9.63436 XTLW 91 0.00000 2809 246 TIP3 H2 3.90439 20.12127 -8.19564 XTLW 91 0.00000 2810 247 TIP3 OH2 -3.40761 10.96307 17.09454 XTLW 92 35.15330 2811 247 TIP3 H1 -2.79358 11.48453 17.64722 XTLW 92 0.00000 2812 247 TIP3 H2 -4.22813 11.11805 17.62215 XTLW 92 0.00000 2813 248 TIP3 OH2 18.62359 1.99299 13.47149 XTLW 93 53.94249 2814 248 TIP3 H1 17.75815 2.08501 13.01432 XTLW 93 0.00000 2815 248 TIP3 H2 18.52720 2.64810 14.17362 XTLW 93 0.00000 2816 249 TIP3 OH2 13.74174 6.06274 19.88393 XTLW 94 16.15429 2817 249 TIP3 H1 13.78846 7.02801 20.00019 XTLW 94 0.00000 2818 249 TIP3 H2 14.01045 5.74219 20.76774 XTLW 94 0.00000 2819 250 TIP3 OH2 22.58283 33.87748 -12.40015 XTLW 95 22.13791 2820 250 TIP3 H1 21.99702 34.62836 -12.20172 XTLW 95 0.00000 2821 250 TIP3 H2 23.04746 34.19792 -13.19634 XTLW 95 0.00000 2822 251 TIP3 OH2 0.80541 19.86240 21.14975 XTLW 96 42.32308 2823 251 TIP3 H1 1.50132 20.09804 20.49876 XTLW 96 0.00000 2824 251 TIP3 H2 1.25958 19.13076 21.63048 XTLW 96 0.00000 2825 252 TIP3 OH2 1.36506 20.55862 -4.67877 XTLW 97 35.47154 2826 252 TIP3 H1 2.00298 19.80510 -4.73433 XTLW 97 0.00000 2827 252 TIP3 H2 1.85710 21.23839 -5.17285 XTLW 97 0.00000 2828 253 TIP3 OH2 18.88500 7.56964 24.63750 XTLW 98 13.61953 2829 253 TIP3 H1 19.48687 7.46048 23.88176 XTLW 98 0.00000 2830 253 TIP3 H2 18.25596 8.24758 24.31125 XTLW 98 0.00000 2831 254 TIP3 OH2 30.76258 7.91041 11.93785 XTLW 99 0.00000 2832 254 TIP3 H1 31.08023 7.35951 11.18436 XTLW 99 0.00000 2833 254 TIP3 H2 30.04136 7.33699 12.27182 XTLW 99 0.00000 2834 255 TIP3 OH2 29.61012 5.98684 8.10057 XTLW 100 0.00000 2835 255 TIP3 H1 29.73272 6.78203 7.53206 XTLW 100 0.00000 2836 255 TIP3 H2 28.87876 6.25807 8.68822 XTLW 100 0.00000 2837 256 TIP3 OH2 28.09764 11.16249 -6.56451 XTLW 101 2.88698 2838 256 TIP3 H1 28.66993 11.95560 -6.71439 XTLW 101 0.00000 2839 256 TIP3 H2 28.37086 10.63045 -7.32909 XTLW 101 0.00000 2840 257 TIP3 OH2 11.86972 26.02391 -10.92949 XTLW 102 29.71741 2841 257 TIP3 H1 12.84232 25.93401 -11.00445 XTLW 102 0.00000 2842 257 TIP3 H2 11.59878 25.09747 -10.77527 XTLW 102 0.00000 2843 258 TIP3 OH2 15.95140 32.57144 -5.45269 XTLW 103 56.36333 2844 258 TIP3 H1 16.70403 33.14510 -5.19130 XTLW 103 0.00000 2845 258 TIP3 H2 16.28159 31.71299 -5.15065 XTLW 103 0.00000 2846 259 TIP3 OH2 25.74641 32.64410 5.43569 XTLW 104 57.64722 2847 259 TIP3 H1 26.50953 32.48637 4.82796 XTLW 104 0.00000 2848 259 TIP3 H2 25.83134 33.60251 5.61438 XTLW 104 0.00000 2849 260 TIP3 OH2 20.48319 31.76963 -2.15521 XTLW 105 69.42100 2850 260 TIP3 H1 19.62179 31.38545 -1.97868 XTLW 105 0.00000 2851 260 TIP3 H2 20.54827 32.35899 -1.36634 XTLW 105 0.00000 2852 261 TIP3 OH2 -1.26374 29.96127 -11.50817 XTLW 106 0.00000 2853 261 TIP3 H1 -2.15301 30.34150 -11.41218 XTLW 106 0.00000 2854 261 TIP3 H2 -1.13209 29.56041 -10.62362 XTLW 106 0.00000 2855 262 TIP3 OH2 22.29843 35.56744 -2.23591 XTLW 107 14.38427 2856 262 TIP3 H1 23.02249 35.72934 -2.87658 XTLW 107 0.00000 2857 262 TIP3 H2 22.79728 35.56931 -1.40441 XTLW 107 0.00000 2858 263 TIP3 OH2 28.44057 13.33020 -9.51852 XTLW 108 0.00000 2859 263 TIP3 H1 28.59146 14.06701 -10.14533 XTLW 108 0.00000 2860 263 TIP3 H2 29.16309 13.52697 -8.86080 XTLW 108 0.00000 2861 264 TIP3 OH2 24.11509 13.49398 -9.52071 XTLW 109 10.38422 2862 264 TIP3 H1 24.39836 12.76320 -8.92061 XTLW 109 0.00000 2863 264 TIP3 H2 24.94742 13.65773 -9.98105 XTLW 109 0.00000 2864 265 TIP3 OH2 30.83312 30.20361 -1.36496 XTLW 110 23.17688 2865 265 TIP3 H1 30.95591 29.53291 -2.05485 XTLW 110 0.00000 2866 265 TIP3 H2 31.43159 29.87258 -0.64948 XTLW 110 0.00000 2867 266 TIP3 OH2 0.12376 27.76630 23.90082 XTLW 111 10.50922 2868 266 TIP3 H1 -0.73994 27.87338 23.46863 XTLW 111 0.00000 2869 266 TIP3 H2 0.58244 28.57840 23.59686 XTLW 111 0.00000 2870 267 TIP3 OH2 2.83977 32.40094 -12.53237 XTLW 112 0.00000 2871 267 TIP3 H1 2.97507 33.36076 -12.66769 XTLW 112 0.00000 2872 267 TIP3 H2 2.93049 32.32949 -11.56077 XTLW 112 0.00000 2873 268 TIP3 OH2 12.01201 32.48139 7.85751 XTLW 113 68.08007 2874 268 TIP3 H1 11.23630 32.79096 7.37765 XTLW 113 0.00000 2875 268 TIP3 H2 12.65121 32.46887 7.09050 XTLW 113 0.00000 2876 269 TIP3 OH2 13.61766 30.89669 15.10437 XTLW 114 9.22800 2877 269 TIP3 H1 14.07038 30.85002 14.23300 XTLW 114 0.00000 2878 269 TIP3 H2 14.35756 30.89710 15.72730 XTLW 114 0.00000 2879 270 TIP3 OH2 10.54031 26.54744 21.41248 XTLW 115 57.22383 2880 270 TIP3 H1 10.95373 26.29575 20.58167 XTLW 115 0.00000 2881 270 TIP3 H2 11.06935 27.34735 21.65174 XTLW 115 0.00000 2882 271 TIP3 OH2 9.18752 37.03086 -5.75779 XTLW 116 30.01868 2883 271 TIP3 H1 9.02420 36.60679 -4.88786 XTLW 116 0.00000 2884 271 TIP3 H2 9.71572 37.79766 -5.47631 XTLW 116 0.00000 2885 272 TIP3 OH2 10.16268 42.10880 -6.52926 XTLW 117 0.00000 2886 272 TIP3 H1 10.33026 41.24703 -6.96698 XTLW 117 0.00000 2887 272 TIP3 H2 11.00262 42.56251 -6.74047 XTLW 117 0.00000 2888 273 TIP3 OH2 3.37074 39.80092 -1.14642 XTLW 118 34.04083 2889 273 TIP3 H1 3.03491 38.88643 -1.16055 XTLW 118 0.00000 2890 273 TIP3 H2 2.86734 40.13559 -0.38092 XTLW 118 0.00000 2891 274 TIP3 OH2 5.84966 37.77441 8.77711 XTLW 119 41.63528 2892 274 TIP3 H1 6.77625 37.86805 8.45988 XTLW 119 0.00000 2893 274 TIP3 H2 5.45860 37.39453 7.95519 XTLW 119 0.00000 2894 275 TIP3 OH2 21.71062 4.89128 1.05302 XTLW 120 26.60688 2895 275 TIP3 H1 21.03390 5.55540 1.23119 XTLW 120 0.00000 2896 275 TIP3 H2 21.20366 4.06431 1.24845 XTLW 120 0.00000 2897 276 TIP3 OH2 25.03892 8.80563 3.21668 XTLW 121 19.50892 2898 276 TIP3 H1 25.90759 8.41297 3.04148 XTLW 121 0.00000 2899 276 TIP3 H2 24.58188 8.06037 3.65864 XTLW 121 0.00000 2900 277 TIP3 OH2 23.86071 6.82085 4.68187 XTLW 122 12.16910 2901 277 TIP3 H1 23.15704 6.20554 4.36826 XTLW 122 0.00000 2902 277 TIP3 H2 23.48649 7.06921 5.54404 XTLW 122 0.00000 2903 278 TIP3 OH2 29.29115 10.14928 1.13152 XTLW 123 2.59510 2904 278 TIP3 H1 29.38579 9.18058 1.14811 XTLW 123 0.00000 2905 278 TIP3 H2 29.04423 10.30748 0.19406 XTLW 123 0.00000 2906 279 TIP3 OH2 18.46990 31.36215 -8.58676 XTLW 124 56.12065 2907 279 TIP3 H1 19.16197 32.03968 -8.43468 XTLW 124 0.00000 2908 279 TIP3 H2 18.89494 30.54889 -8.26891 XTLW 124 0.00000 2909 280 TIP3 OH2 27.48546 34.76810 3.02752 XTLW 125 20.33257 2910 280 TIP3 H1 27.60558 33.84487 3.34426 XTLW 125 0.00000 2911 280 TIP3 H2 27.47886 34.60244 2.06469 XTLW 125 0.00000 2912 281 TIP3 OH2 24.52374 12.25613 0.07194 XTLW 126 54.12150 2913 281 TIP3 H1 25.06073 13.03799 0.24478 XTLW 126 0.00000 2914 281 TIP3 H2 24.47648 11.85952 0.96990 XTLW 126 0.00000 2915 282 TIP3 OH2 24.22100 20.62648 -9.71785 XTLW 127 49.88354 2916 282 TIP3 H1 24.96591 20.72376 -9.07118 XTLW 127 0.00000 2917 282 TIP3 H2 23.82815 19.80011 -9.41340 XTLW 127 0.00000 2918 283 TIP3 OH2 26.39222 20.83265 -8.17333 XTLW 128 39.77593 2919 283 TIP3 H1 26.79562 21.63870 -7.78753 XTLW 128 0.00000 2920 283 TIP3 H2 27.11769 20.19602 -8.13806 XTLW 128 0.00000 2921 284 TIP3 OH2 18.25687 34.05240 -4.80271 XTLW 129 17.34242 2922 284 TIP3 H1 18.94716 34.07659 -4.11677 XTLW 129 0.00000 2923 284 TIP3 H2 18.78075 34.02210 -5.64531 XTLW 129 0.00000 2924 285 TIP3 OH2 28.80732 31.73474 -0.44702 XTLW 130 44.44351 2925 285 TIP3 H1 29.47465 31.05180 -0.65994 XTLW 130 0.00000 2926 285 TIP3 H2 28.29445 31.35147 0.29432 XTLW 130 0.00000 2927 286 TIP3 OH2 26.13775 35.29161 6.31873 XTLW 131 12.31525 2928 286 TIP3 H1 25.99296 35.36295 7.28524 XTLW 131 0.00000 2929 286 TIP3 H2 26.22425 36.22828 6.07074 XTLW 131 0.00000 2930 287 TIP3 OH2 21.60271 36.71324 6.91003 XTLW 132 5.63947 2931 287 TIP3 H1 21.88710 37.63330 7.02965 XTLW 132 0.00000 2932 287 TIP3 H2 21.51924 36.63158 5.93976 XTLW 132 0.00000 2933 288 TIP3 OH2 20.46262 31.60968 11.78081 XTLW 133 19.52471 2934 288 TIP3 H1 19.90910 32.18571 12.34238 XTLW 133 0.00000 2935 288 TIP3 H2 20.75023 30.94282 12.44405 XTLW 133 0.00000 2936 289 TIP3 OH2 -2.16955 34.76758 12.10108 XTLW 134 3.26623 2937 289 TIP3 H1 -3.10658 34.71882 12.32114 XTLW 134 0.00000 2938 289 TIP3 H2 -2.17915 34.35862 11.21126 XTLW 134 0.00000 2939 290 TIP3 OH2 5.02501 29.48138 -7.46652 XTLW 135 15.03360 2940 290 TIP3 H1 4.14075 29.78024 -7.76332 XTLW 135 0.00000 2941 290 TIP3 H2 4.80434 28.73103 -6.88300 XTLW 135 0.00000 2942 291 TIP3 OH2 7.20281 10.03785 -9.73186 XTLW 136 0.00000 2943 291 TIP3 H1 7.69343 9.22607 -9.54436 XTLW 136 0.00000 2944 291 TIP3 H2 7.12063 10.44539 -8.84387 XTLW 136 0.00000 2945 292 TIP3 OH2 -3.07825 24.42919 8.25736 XTLW 137 39.03512 2946 292 TIP3 H1 -2.38823 24.08188 8.88729 XTLW 137 0.00000 2947 292 TIP3 H2 -2.98550 23.80281 7.53386 XTLW 137 0.00000 2948 293 SO4 S 33.24680 29.47788 1.02311 IONS 1 0.00000 2949 293 SO4 O1 32.20499 28.74785 0.42486 IONS 1 0.00000 2950 293 SO4 O2 33.25191 30.80495 0.55755 IONS 1 0.00000 2951 293 SO4 O3 33.04575 29.49195 2.41963 IONS 1 0.00000 2952 293 SO4 O4 34.48915 28.88543 0.70198 IONS 1 0.00000 2953 294 TIP3 OH2 12.63028 7.06640 -6.62005 WAT 1 0.00000 2954 294 TIP3 H1 12.92394 6.88732 -7.52693 WAT 1 0.00000 2955 294 TIP3 H2 13.25212 6.51997 -6.09229 WAT 1 0.00000 2956 295 TIP3 OH2 6.66281 8.68193 -6.25668 WAT 2 0.36970 2957 295 TIP3 H1 6.13371 8.12413 -5.64870 WAT 2 0.00000 2958 295 TIP3 H2 7.42154 8.85867 -5.64953 WAT 2 0.00000 2959 296 TIP3 OH2 6.17110 17.66651 -9.21521 WAT 3 6.42932 2960 296 TIP3 H1 6.97937 17.10884 -9.12297 WAT 3 0.00000 2961 296 TIP3 H2 5.62089 17.09260 -9.78679 WAT 3 0.00000 2962 297 TIP3 OH2 12.52829 7.76428 -9.73022 WAT 4 0.00000 2963 297 TIP3 H1 11.99819 7.24063 -10.36528 WAT 4 0.00000 2964 297 TIP3 H2 13.15104 8.20030 -10.32269 WAT 4 0.00000 2965 298 TIP3 OH2 6.49211 15.70485 -12.63426 WAT 5 0.00000 2966 298 TIP3 H1 6.32640 15.55610 -13.59197 WAT 5 0.00000 2967 298 TIP3 H2 7.08968 14.97159 -12.44608 WAT 5 0.00000 2968 299 TIP3 OH2 11.04313 6.46364 -11.64401 WAT 6 0.00000 2969 299 TIP3 H1 11.68856 5.85289 -12.08141 WAT 6 0.00000 2970 299 TIP3 H2 10.52342 6.71424 -12.43981 WAT 6 0.00000 2971 300 TIP3 OH2 8.50790 9.00246 -4.33535 WAT 7 0.00000 2972 300 TIP3 H1 8.31905 9.46544 -3.50486 WAT 7 0.00000 2973 300 TIP3 H2 9.46069 8.78718 -4.26739 WAT 7 0.00000 2974 301 TIP3 OH2 7.53496 6.73216 -7.95432 WAT 8 0.00000 2975 301 TIP3 H1 8.19286 6.43050 -7.29235 WAT 8 0.00000 2976 301 TIP3 H2 7.16129 7.48835 -7.45154 WAT 8 0.00000 2977 302 TIP3 OH2 8.24218 6.90535 -10.61462 WAT 9 0.00000 2978 302 TIP3 H1 9.18868 6.70007 -10.63480 WAT 9 0.00000 2979 302 TIP3 H2 8.03127 6.80469 -9.66281 WAT 9 0.00000 2980 303 TIP3 OH2 5.79846 6.90525 -4.40080 WAT 10 0.00000 2981 303 TIP3 H1 5.25584 6.10683 -4.53332 WAT 10 0.00000 2982 303 TIP3 H2 6.64790 6.53027 -4.12659 WAT 10 0.00000 2983 304 TIP3 OH2 5.06831 19.68156 -10.94094 WAT 11 0.00000 2984 304 TIP3 H1 5.72991 19.70877 -11.65669 WAT 11 0.00000 2985 304 TIP3 H2 5.46625 19.02299 -10.33828 WAT 11 0.00000 2986 305 TIP3 OH2 11.37415 12.01444 -3.56903 WAT 12 10.47543 2987 305 TIP3 H1 11.54426 12.79238 -4.11481 WAT 12 0.00000 2988 305 TIP3 H2 11.92625 11.34780 -4.02691 WAT 12 0.00000 2989 306 TIP3 OH2 11.13186 8.16378 -4.56485 WAT 13 0.00000 2990 306 TIP3 H1 11.71702 8.94929 -4.57617 WAT 13 0.00000 2991 306 TIP3 H2 11.66504 7.57341 -5.13329 WAT 13 0.00000 2992 307 TIP3 OH2 9.85199 11.20309 -1.48764 WAT 14 39.02490 2993 307 TIP3 H1 8.95713 11.13245 -1.88173 WAT 14 0.00000 2994 307 TIP3 H2 10.30147 11.71681 -2.19836 WAT 14 0.00000 2995 308 TIP3 OH2 7.97458 12.11637 -5.15263 WAT 15 29.44194 2996 308 TIP3 H1 8.82791 11.85829 -5.58548 WAT 15 0.00000 2997 308 TIP3 H2 8.00632 11.56394 -4.34714 WAT 15 0.00000 2998 309 TIP3 OH2 5.24751 13.62774 -7.39061 WAT 16 25.23919 2999 309 TIP3 H1 5.61496 12.72995 -7.51488 WAT 16 0.00000 3000 309 TIP3 H2 4.67659 13.51486 -6.61673 WAT 16 0.00000 3001 310 TIP3 OH2 10.93901 8.92437 -7.77680 WAT 17 0.00000 3002 310 TIP3 H1 11.36755 8.31568 -7.14908 WAT 17 0.00000 3003 310 TIP3 H2 11.44604 8.68585 -8.57506 WAT 17 0.00000 3004 311 TIP3 OH2 9.07779 21.72581 -9.18128 WAT 18 34.87207 3005 311 TIP3 H1 9.11501 20.76085 -9.03391 WAT 18 0.00000 3006 311 TIP3 H2 8.24782 21.93006 -8.72137 WAT 18 0.00000 3007 312 TIP3 OH2 8.76959 19.04787 -8.66789 WAT 19 4.68446 3008 312 TIP3 H1 7.81619 19.21474 -8.60486 WAT 19 0.00000 3009 312 TIP3 H2 8.73839 18.06715 -8.78654 WAT 19 0.00000 3010 313 TIP3 OH2 1.10885 18.20511 -7.05522 WAT 20 2.18823 3011 313 TIP3 H1 1.85631 18.17664 -6.40929 WAT 20 0.00000 3012 313 TIP3 H2 0.37871 18.37040 -6.42849 WAT 20 0.00000 3013 314 TIP3 OH2 8.24189 13.42001 2.81063 WAT 21 68.72649 3014 314 TIP3 H1 9.02433 12.82769 2.93319 WAT 21 0.00000 3015 314 TIP3 H2 8.20810 13.81005 3.69115 WAT 21 0.00000 3016 315 TIP3 OH2 7.43461 11.06319 -2.60939 WAT 22 10.10541 3017 315 TIP3 H1 7.12343 11.95768 -2.30689 WAT 22 0.00000 3018 315 TIP3 H2 6.58845 10.55567 -2.69209 WAT 22 0.00000 3019 316 TIP3 OH2 8.53981 7.75808 4.42249 WAT 23 20.43647 3020 316 TIP3 H1 7.84735 8.12056 4.98173 WAT 23 0.00000 3021 316 TIP3 H2 9.30235 7.71908 5.03145 WAT 23 0.00000 3022 317 TIP3 OH2 13.03739 10.14725 -4.77048 WAT 24 0.50997 3023 317 TIP3 H1 13.14281 10.74840 -5.53807 WAT 24 0.00000 3024 317 TIP3 H2 13.85403 9.60583 -4.83040 WAT 24 0.00000 3025 318 TIP3 OH2 5.37082 9.36778 -2.93702 WAT 25 1.43181 3026 318 TIP3 H1 4.64008 9.23264 -2.28987 WAT 25 0.00000 3027 318 TIP3 H2 5.40495 8.49975 -3.37764 WAT 25 0.00000 3028 319 TIP3 OH2 17.25584 10.41438 -8.32854 WAT 26 0.93139 3029 319 TIP3 H1 17.93378 11.08868 -8.54632 WAT 26 0.00000 3030 319 TIP3 H2 17.78960 9.60090 -8.39491 WAT 26 0.00000 3031 320 TIP3 OH2 20.05762 10.32030 -6.65305 WAT 27 15.62098 3032 320 TIP3 H1 19.95278 11.06226 -7.27989 WAT 27 0.00000 3033 320 TIP3 H2 21.01712 10.37100 -6.42903 WAT 27 0.00000 3034 321 TIP3 OH2 15.13957 8.28383 -5.01314 WAT 28 0.00000 3035 321 TIP3 H1 14.80962 7.37601 -4.84004 WAT 28 0.00000 3036 321 TIP3 H2 15.89687 8.05421 -5.58953 WAT 28 0.00000 3037 322 TIP3 OH2 24.58473 5.40958 -3.60811 WAT 29 0.00000 3038 322 TIP3 H1 25.18566 4.84155 -3.07715 WAT 29 0.00000 3039 322 TIP3 H2 25.00541 6.27588 -3.42454 WAT 29 0.00000 3040 323 TIP3 OH2 23.52604 6.95214 -5.58899 WAT 30 0.00000 3041 323 TIP3 H1 22.75225 7.20185 -5.05528 WAT 30 0.00000 3042 323 TIP3 H2 23.90061 6.22794 -5.04918 WAT 30 0.00000 3043 324 TIP3 OH2 21.43293 8.26952 -4.18272 WAT 31 0.00000 3044 324 TIP3 H1 20.65336 8.82846 -3.99200 WAT 31 0.00000 3045 324 TIP3 H2 21.94998 8.90243 -4.71496 WAT 31 0.00000 3046 325 TIP3 OH2 22.64748 10.23950 -5.80091 WAT 32 9.13175 3047 325 TIP3 H1 23.05387 10.44539 -4.92775 WAT 32 0.00000 3048 325 TIP3 H2 23.42858 9.89634 -6.28012 WAT 32 0.00000 3049 326 TIP3 OH2 26.67861 14.84574 -7.93821 WAT 33 11.23753 3050 326 TIP3 H1 27.37073 15.53369 -8.05817 WAT 33 0.00000 3051 326 TIP3 H2 27.21135 14.07986 -8.21692 WAT 33 0.00000 3052 327 TIP3 OH2 24.72233 8.88553 -7.07474 WAT 34 0.00000 3053 327 TIP3 H1 24.94544 8.35643 -7.86726 WAT 34 0.00000 3054 327 TIP3 H2 24.41188 8.16382 -6.47945 WAT 34 0.00000 3055 328 TIP3 OH2 25.92865 7.66195 -2.75275 WAT 35 0.00000 3056 328 TIP3 H1 26.26946 8.31784 -3.40837 WAT 35 0.00000 3057 328 TIP3 H2 26.75705 7.30400 -2.40880 WAT 35 0.00000 3058 329 TIP3 OH2 17.35143 5.06305 -1.51730 WAT 36 5.38468 3059 329 TIP3 H1 17.48010 5.12070 -0.56516 WAT 36 0.00000 3060 329 TIP3 H2 18.18839 4.61245 -1.78367 WAT 36 0.00000 3061 330 TIP3 OH2 27.60529 6.69134 3.23901 WAT 37 0.00000 3062 330 TIP3 H1 28.22634 6.79782 2.46996 WAT 37 0.00000 3063 330 TIP3 H2 27.53626 5.70787 3.23372 WAT 37 0.00000 3064 331 TIP3 OH2 28.61119 10.73852 -1.52473 WAT 38 20.86476 3065 331 TIP3 H1 29.11272 10.31725 -2.24989 WAT 38 0.00000 3066 331 TIP3 H2 28.93789 11.67304 -1.61128 WAT 38 0.00000 3067 332 TIP3 OH2 16.62971 10.20160 -3.60553 WAT 39 2.70213 3068 332 TIP3 H1 16.50982 10.79387 -4.38554 WAT 39 0.00000 3069 332 TIP3 H2 16.11503 9.42981 -3.90868 WAT 39 0.00000 3070 333 TIP3 OH2 20.88377 7.08860 -1.75960 WAT 40 8.78217 3071 333 TIP3 H1 21.23645 6.18211 -1.82212 WAT 40 0.00000 3072 333 TIP3 H2 21.16065 7.43603 -2.63355 WAT 40 0.00000 3073 334 TIP3 OH2 16.50623 11.58167 -5.92789 WAT 41 31.76140 3074 334 TIP3 H1 16.76476 12.49496 -6.13886 WAT 41 0.00000 3075 334 TIP3 H2 16.70058 11.12899 -6.77456 WAT 41 0.00000 3076 335 TIP3 OH2 17.46409 5.78170 -4.20969 WAT 42 0.11176 3077 335 TIP3 H1 17.72290 4.85889 -4.41127 WAT 42 0.00000 3078 335 TIP3 H2 17.38385 5.72910 -3.23906 WAT 42 0.00000 3079 336 TIP3 OH2 31.31142 11.43809 2.57784 WAT 43 16.07276 3080 336 TIP3 H1 32.09294 10.86326 2.46134 WAT 43 0.00000 3081 336 TIP3 H2 30.63688 10.94881 2.05647 WAT 43 0.00000 3082 337 TIP3 OH2 36.73585 16.39266 3.00566 WAT 44 32.54769 3083 337 TIP3 H1 36.27584 17.25874 2.98162 WAT 44 0.00000 3084 337 TIP3 H2 36.66883 16.11511 2.06576 WAT 44 0.00000 3085 338 TIP3 OH2 19.41644 10.17265 -3.95968 WAT 45 11.21451 3086 338 TIP3 H1 18.45296 10.07967 -3.83360 WAT 45 0.00000 3087 338 TIP3 H2 19.49172 10.23979 -4.93468 WAT 45 0.00000 3088 339 TIP3 OH2 25.96988 11.40212 -2.19894 WAT 46 28.95266 3089 339 TIP3 H1 25.48153 11.65155 -1.38860 WAT 46 0.00000 3090 339 TIP3 H2 26.81057 11.05608 -1.82581 WAT 46 0.00000 3091 340 TIP3 OH2 17.15559 7.04580 -6.54064 WAT 47 0.00000 3092 340 TIP3 H1 17.38281 6.65856 -5.65752 WAT 47 0.00000 3093 340 TIP3 H2 16.91826 6.24332 -7.01900 WAT 47 0.00000 3094 341 TIP3 OH2 19.00421 8.26340 -8.16788 WAT 48 0.00000 3095 341 TIP3 H1 18.41235 7.82343 -7.52033 WAT 48 0.00000 3096 341 TIP3 H2 19.52208 8.85016 -7.57522 WAT 48 0.00000 3097 342 TIP3 OH2 27.18563 9.36017 -4.49250 WAT 49 0.11585 3098 342 TIP3 H1 28.13098 9.39052 -4.23094 WAT 49 0.00000 3099 342 TIP3 H2 27.22961 9.83039 -5.34182 WAT 49 0.00000 3100 343 TIP3 OH2 28.28813 12.57270 2.13162 WAT 50 11.33037 3101 343 TIP3 H1 28.45458 12.90808 1.21380 WAT 50 0.00000 3102 343 TIP3 H2 28.47262 11.62741 1.97692 WAT 50 0.00000 3103 344 TIP3 OH2 24.21479 11.32992 2.60832 WAT 51 48.21791 3104 344 TIP3 H1 24.50542 10.40227 2.77666 WAT 51 0.00000 3105 344 TIP3 H2 24.69074 11.79712 3.30369 WAT 51 0.00000 3106 345 TIP3 OH2 23.73565 8.23709 -1.18457 WAT 52 6.87653 3107 345 TIP3 H1 23.67336 7.36142 -0.76579 WAT 52 0.00000 3108 345 TIP3 H2 24.54802 8.09520 -1.71789 WAT 52 0.00000 3109 346 TIP3 OH2 32.16486 18.00139 5.74362 WAT 53 40.20998 3110 346 TIP3 H1 32.97784 18.52439 5.74661 WAT 53 0.00000 3111 346 TIP3 H2 32.45822 17.17380 6.17256 WAT 53 0.00000 3112 347 TIP3 OH2 37.20941 21.77144 5.42079 WAT 54 25.67728 3113 347 TIP3 H1 36.29347 22.13239 5.41760 WAT 54 0.00000 3114 347 TIP3 H2 37.29089 21.55474 6.38492 WAT 54 0.00000 3115 348 TIP3 OH2 28.76721 16.48957 -8.34526 WAT 55 47.91695 3116 348 TIP3 H1 29.41523 15.96970 -7.79597 WAT 55 0.00000 3117 348 TIP3 H2 29.00041 17.41889 -8.18222 WAT 55 0.00000 3118 349 TIP3 OH2 26.40730 7.24211 5.67337 WAT 56 13.44609 3119 349 TIP3 H1 25.53679 7.07541 5.26417 WAT 56 0.00000 3120 349 TIP3 H2 26.99718 7.12208 4.89948 WAT 56 0.00000 3121 350 TIP3 OH2 15.05369 7.87648 3.91975 WAT 57 35.83122 3122 350 TIP3 H1 14.28578 8.31502 4.30770 WAT 57 0.00000 3123 350 TIP3 H2 14.80054 6.93871 4.01666 WAT 57 0.00000 3124 351 TIP3 OH2 23.68490 10.24900 -3.28480 WAT 58 9.06018 3125 351 TIP3 H1 23.55756 9.54110 -2.63140 WAT 58 0.00000 3126 351 TIP3 H2 24.54422 10.61778 -2.99964 WAT 58 0.00000 3127 352 TIP3 OH2 34.33769 19.82172 5.30451 WAT 59 10.09685 3128 352 TIP3 H1 33.62973 20.16499 4.72194 WAT 59 0.00000 3129 352 TIP3 H2 34.59028 20.67444 5.71888 WAT 59 0.00000 3130 353 TIP3 OH2 30.60728 12.69883 4.83192 WAT 60 10.37857 3131 353 TIP3 H1 29.87304 12.14624 5.13280 WAT 60 0.00000 3132 353 TIP3 H2 30.96466 12.13458 4.10446 WAT 60 0.00000 3133 354 TIP3 OH2 34.24959 14.03657 4.97639 WAT 61 9.96833 3134 354 TIP3 H1 35.17031 14.35661 5.01515 WAT 61 0.00000 3135 354 TIP3 H2 33.80477 14.69632 5.54681 WAT 61 0.00000 3136 355 TIP3 OH2 -2.28526 21.95846 0.80775 WAT 62 30.56745 3137 355 TIP3 H1 -2.29800 22.47071 -0.04045 WAT 62 0.00000 3138 355 TIP3 H2 -2.32052 21.05928 0.46530 WAT 62 0.00000 3139 356 TIP3 OH2 6.47553 23.72799 -9.85862 WAT 63 4.70918 3140 356 TIP3 H1 7.25360 24.16604 -10.26730 WAT 63 0.00000 3141 356 TIP3 H2 6.04418 24.49121 -9.42290 WAT 63 0.00000 3142 357 TIP3 OH2 8.81906 27.39263 -9.14939 WAT 64 6.95213 3143 357 TIP3 H1 7.96180 27.44525 -9.61739 WAT 64 0.00000 3144 357 TIP3 H2 8.51097 27.68106 -8.26141 WAT 64 0.00000 3145 358 TIP3 OH2 2.81351 24.93452 -9.35968 WAT 65 15.13133 3146 358 TIP3 H1 2.46465 25.83824 -9.31954 WAT 65 0.00000 3147 358 TIP3 H2 3.73765 25.08395 -9.08269 WAT 65 0.00000 3148 359 TIP3 OH2 10.09207 35.11405 -10.27927 WAT 66 0.82411 3149 359 TIP3 H1 10.70479 35.09310 -9.51893 WAT 66 0.00000 3150 359 TIP3 H2 10.50628 35.80168 -10.83339 WAT 66 0.00000 3151 360 TIP3 OH2 8.65086 25.09781 -10.77973 WAT 67 0.71870 3152 360 TIP3 H1 9.48558 24.58947 -10.73961 WAT 67 0.00000 3153 360 TIP3 H2 8.89080 25.88639 -10.26095 WAT 67 0.00000 3154 361 TIP3 OH2 10.83427 23.51704 -10.23765 WAT 68 12.48743 3155 361 TIP3 H1 10.15543 22.88403 -9.90697 WAT 68 0.00000 3156 361 TIP3 H2 11.58991 23.21762 -9.69725 WAT 68 0.00000 3157 362 TIP3 OH2 13.56826 33.94305 -10.12241 WAT 69 4.42287 3158 362 TIP3 H1 14.41414 33.74072 -9.65911 WAT 69 0.00000 3159 362 TIP3 H2 13.91395 34.27612 -10.97071 WAT 69 0.00000 3160 363 TIP3 OH2 7.69483 34.11832 -9.45963 WAT 70 16.73126 3161 363 TIP3 H1 8.46105 34.46880 -9.97270 WAT 70 0.00000 3162 363 TIP3 H2 8.08340 34.29346 -8.56711 WAT 70 0.00000 3163 364 TIP3 OH2 0.91270 22.92944 -1.21298 WAT 71 61.66502 3164 364 TIP3 H1 0.30238 23.68946 -1.08804 WAT 71 0.00000 3165 364 TIP3 H2 0.30077 22.21523 -1.38591 WAT 71 0.00000 3166 365 TIP3 OH2 9.23929 34.76327 -7.31411 WAT 72 14.82573 3167 365 TIP3 H1 9.21399 35.50891 -6.68154 WAT 72 0.00000 3168 365 TIP3 H2 10.20388 34.70351 -7.46888 WAT 72 0.00000 3169 366 TIP3 OH2 6.36024 21.69918 -8.08372 WAT 73 9.67359 3170 366 TIP3 H1 6.40891 22.44254 -8.72549 WAT 73 0.00000 3171 366 TIP3 H2 5.47717 21.35312 -8.31942 WAT 73 0.00000 3172 367 TIP3 OH2 13.59904 33.96453 -6.06989 WAT 74 17.34391 3173 367 TIP3 H1 14.39841 33.43121 -5.85081 WAT 74 0.00000 3174 367 TIP3 H2 13.12098 33.96998 -5.21416 WAT 74 0.00000 3175 368 TIP3 OH2 8.89519 31.74425 -12.90179 WAT 75 23.01108 3176 368 TIP3 H1 8.49281 32.20875 -13.65391 WAT 75 0.00000 3177 368 TIP3 H2 9.81437 31.63040 -13.22244 WAT 75 0.00000 3178 369 TIP3 OH2 5.89434 31.90002 -9.19674 WAT 76 21.06170 3179 369 TIP3 H1 6.59762 32.58031 -9.24280 WAT 76 0.00000 3180 369 TIP3 H2 6.12722 31.40919 -8.39285 WAT 76 0.00000 3181 370 TIP3 OH2 11.89538 34.64569 -8.11305 WAT 77 6.71379 3182 370 TIP3 H1 12.46342 34.47436 -7.32661 WAT 77 0.00000 3183 370 TIP3 H2 12.55478 34.47682 -8.82287 WAT 77 0.00000 3184 371 TIP3 OH2 7.86122 29.74406 -11.34888 WAT 78 0.00000 3185 371 TIP3 H1 8.28392 30.52035 -11.77197 WAT 78 0.00000 3186 371 TIP3 H2 7.37033 29.38988 -12.11718 WAT 78 0.00000 3187 372 TIP3 OH2 14.92933 35.17648 -2.56556 WAT 80 37.49603 3188 372 TIP3 H1 15.80897 35.40690 -2.20229 WAT 80 0.00000 3189 372 TIP3 H2 14.67730 34.45742 -1.95045 WAT 80 0.00000 3190 373 TIP3 OH2 26.06455 35.23016 -1.57611 WAT 81 22.36800 3191 373 TIP3 H1 25.45794 35.64073 -0.93665 WAT 81 0.00000 3192 373 TIP3 H2 26.62687 34.69447 -0.97513 WAT 81 0.00000 3193 374 TIP3 OH2 19.26910 35.47383 -9.30082 WAT 82 16.10177 3194 374 TIP3 H1 19.41897 34.76717 -8.62220 WAT 82 0.00000 3195 374 TIP3 H2 19.52090 36.24760 -8.78357 WAT 82 0.00000 3196 375 TIP3 OH2 15.92331 33.31045 -8.92039 WAT 83 3.95760 3197 375 TIP3 H1 16.50882 33.70365 -9.60253 WAT 83 0.00000 3198 375 TIP3 H2 16.57945 33.03029 -8.26219 WAT 83 0.00000 3199 376 TIP3 OH2 14.27634 36.47429 -4.93209 WAT 84 0.67967 3200 376 TIP3 H1 14.53593 36.12978 -4.04436 WAT 84 0.00000 3201 376 TIP3 H2 14.14543 35.61784 -5.37803 WAT 84 0.00000 3202 377 TIP3 OH2 24.08335 36.41802 0.03055 WAT 85 24.31151 3203 377 TIP3 H1 24.64863 36.47109 0.81154 WAT 85 0.00000 3204 377 TIP3 H2 23.21784 36.18957 0.44905 WAT 85 0.00000 3205 378 TIP3 OH2 24.67917 32.86243 -9.89556 WAT 86 48.44992 3206 378 TIP3 H1 24.82090 33.82585 -9.77717 WAT 86 0.00000 3207 378 TIP3 H2 25.52072 32.50266 -9.54998 WAT 86 0.00000 3208 379 TIP3 OH2 19.68497 34.71240 -2.18147 WAT 88 11.70008 3209 379 TIP3 H1 20.61137 35.00393 -2.30824 WAT 88 0.00000 3210 379 TIP3 H2 19.81376 34.16161 -1.36737 WAT 88 0.00000 3211 380 TIP3 OH2 34.60155 22.56074 5.36299 WAT 90 12.27920 3212 380 TIP3 H1 33.83835 22.47795 4.76179 WAT 90 0.00000 3213 380 TIP3 H2 34.55349 23.52842 5.55836 WAT 90 0.00000 3214 381 TIP3 OH2 16.27141 30.46061 -9.90477 WAT 91 6.43821 3215 381 TIP3 H1 16.61961 30.85742 -10.73173 WAT 91 0.00000 3216 381 TIP3 H2 17.02144 30.70068 -9.31032 WAT 91 0.00000 3217 382 TIP3 OH2 21.54227 36.40697 4.18716 WAT 92 24.28067 3218 382 TIP3 H1 21.16391 37.19219 3.72996 WAT 92 0.00000 3219 382 TIP3 H2 21.04626 35.68064 3.78454 WAT 92 0.00000 3220 383 TIP3 OH2 -0.26291 19.35653 18.41116 WAT 93 21.38811 3221 383 TIP3 H1 -0.13047 19.50521 19.35984 WAT 93 0.00000 3222 383 TIP3 H2 -0.94762 20.01386 18.18161 WAT 93 0.00000 3223 384 TIP3 OH2 -3.41452 12.29025 10.91092 WAT 94 6.42120 3224 384 TIP3 H1 -3.72944 13.21522 10.99852 WAT 94 0.00000 3225 384 TIP3 H2 -2.77736 12.36878 10.17705 WAT 94 0.00000 3226 385 TIP3 OH2 -1.38909 7.21333 9.74133 WAT 96 1.07520 3227 385 TIP3 H1 -1.22361 7.57901 10.63017 WAT 96 0.00000 3228 385 TIP3 H2 -2.04632 7.87016 9.42574 WAT 96 0.00000 3229 386 TIP3 OH2 14.40480 18.57123 20.96386 WAT 98 53.55833 3230 386 TIP3 H1 15.28983 18.98663 20.95712 WAT 98 0.00000 3231 386 TIP3 H2 14.60254 17.68038 21.27799 WAT 98 0.00000 3232 387 TIP3 OH2 -5.82108 16.40030 13.01813 WAT 99 10.18561 3233 387 TIP3 H1 -6.12176 15.47456 13.10193 WAT 99 0.00000 3234 387 TIP3 H2 -6.27597 16.80138 13.78671 WAT 99 0.00000 3235 388 TIP3 OH2 2.35997 6.30376 17.00223 WAT 101 25.73567 3236 388 TIP3 H1 2.26802 5.80130 16.16990 WAT 101 0.00000 3237 388 TIP3 H2 2.33122 7.22780 16.66502 WAT 101 0.00000 3238 389 TIP3 OH2 -2.64924 6.75689 6.55215 WAT 102 13.94917 3239 389 TIP3 H1 -1.73702 7.08902 6.73254 WAT 102 0.00000 3240 389 TIP3 H2 -2.90192 6.41457 7.44029 WAT 102 0.00000 3241 390 TIP3 OH2 -5.96587 18.93911 11.87391 WAT 103 1.44749 3242 390 TIP3 H1 -5.92450 18.01812 12.20605 WAT 103 0.00000 3243 390 TIP3 H2 -6.57049 18.83844 11.11862 WAT 103 0.00000 3244 391 TIP3 OH2 -3.30356 16.93228 9.81714 WAT 104 29.15693 3245 391 TIP3 H1 -4.25924 16.81534 9.61053 WAT 104 0.00000 3246 391 TIP3 H2 -2.94517 16.14689 9.35665 WAT 104 0.00000 3247 392 TIP3 OH2 -4.88075 20.73213 17.69397 WAT 105 10.90907 3248 392 TIP3 H1 -3.91206 20.77425 17.59446 WAT 105 0.00000 3249 392 TIP3 H2 -5.11181 21.67081 17.78489 WAT 105 0.00000 3250 393 TIP3 OH2 3.55185 7.45527 14.22048 WAT 106 22.45724 3251 393 TIP3 H1 3.20970 8.05093 14.92025 WAT 106 0.00000 3252 393 TIP3 H2 4.40949 7.17220 14.62008 WAT 106 0.00000 3253 394 TIP3 OH2 -6.82878 21.55757 12.86460 WAT 109 1.01107 3254 394 TIP3 H1 -6.55026 20.67583 12.56805 WAT 109 0.00000 3255 394 TIP3 H2 -7.22410 21.91732 12.04060 WAT 109 0.00000 3256 395 TIP3 OH2 -3.23457 8.47609 15.96768 WAT 110 17.47873 3257 395 TIP3 H1 -2.26362 8.40815 16.07613 WAT 110 0.00000 3258 395 TIP3 H2 -3.38786 9.36418 16.35915 WAT 110 0.00000 3259 396 TIP3 OH2 1.70781 8.74707 10.05343 WAT 112 5.91140 3260 396 TIP3 H1 1.29406 9.32227 9.37399 WAT 112 0.00000 3261 396 TIP3 H2 2.64708 8.91037 9.79678 WAT 112 0.00000 3262 397 TIP3 OH2 13.76643 7.70823 23.44792 WAT 113 37.88104 3263 397 TIP3 H1 14.17167 8.57699 23.35956 WAT 113 0.00000 3264 397 TIP3 H2 13.35132 7.79934 24.33164 WAT 113 0.00000 3265 398 TIP3 OH2 4.58631 5.91391 11.00904 WAT 114 35.71402 3266 398 TIP3 H1 5.13338 6.23758 10.26079 WAT 114 0.00000 3267 398 TIP3 H2 3.79339 6.44575 10.90957 WAT 114 0.00000 3268 399 TIP3 OH2 -7.37508 17.24307 15.17717 WAT 115 16.11956 3269 399 TIP3 H1 -7.18965 17.75669 15.99820 WAT 115 0.00000 3270 399 TIP3 H2 -7.46580 16.33576 15.54279 WAT 115 0.00000 3271 400 TIP3 OH2 -3.42299 19.67210 12.73347 WAT 116 32.21276 3272 400 TIP3 H1 -4.38378 19.54852 12.58138 WAT 116 0.00000 3273 400 TIP3 H2 -3.40980 20.63183 12.97907 WAT 116 0.00000 3274 401 TIP3 OH2 -1.70897 10.80345 12.47672 WAT 117 10.07938 3275 401 TIP3 H1 -1.52025 9.93848 12.06491 WAT 117 0.00000 3276 401 TIP3 H2 -2.47714 11.12588 11.95980 WAT 117 0.00000 3277 402 TIP3 OH2 15.25215 13.78838 25.10338 WAT 118 28.36628 3278 402 TIP3 H1 15.39454 14.14611 26.00822 WAT 118 0.00000 3279 402 TIP3 H2 16.18106 13.80027 24.78126 WAT 118 0.00000 3280 403 TIP3 OH2 30.87274 17.47525 13.58039 WAT 119 36.91630 3281 403 TIP3 H1 30.84545 18.31020 14.06355 WAT 119 0.00000 3282 403 TIP3 H2 29.90010 17.26753 13.61402 WAT 119 0.00000 3283 404 TIP3 OH2 25.63957 10.47684 16.85372 WAT 120 12.69916 3284 404 TIP3 H1 25.35779 11.05730 16.12818 WAT 120 0.00000 3285 404 TIP3 H2 25.46434 11.05550 17.63747 WAT 120 0.00000 3286 405 TIP3 OH2 22.51129 15.39540 22.73766 WAT 122 35.20558 3287 405 TIP3 H1 22.01376 16.18337 22.48329 WAT 122 0.00000 3288 405 TIP3 H2 23.35218 15.77840 23.05310 WAT 122 0.00000 3289 406 TIP3 OH2 33.22489 20.66212 10.40972 WAT 123 3.25609 3290 406 TIP3 H1 33.89311 20.55860 9.68909 WAT 123 0.00000 3291 406 TIP3 H2 33.15741 19.74159 10.69874 WAT 123 0.00000 3292 407 TIP3 OH2 14.51924 5.24897 22.47958 WAT 124 5.52568 3293 407 TIP3 H1 14.30395 6.16186 22.77537 WAT 124 0.00000 3294 407 TIP3 H2 14.14141 4.76207 23.23671 WAT 124 0.00000 3295 408 TIP3 OH2 18.93005 11.40819 26.00977 WAT 125 10.37746 3296 408 TIP3 H1 18.93187 10.57727 26.52236 WAT 125 0.00000 3297 408 TIP3 H2 19.69782 11.25247 25.41781 WAT 125 0.00000 3298 409 TIP3 OH2 27.55205 9.29737 10.19218 WAT 126 16.70011 3299 409 TIP3 H1 27.08391 9.38187 9.32853 WAT 126 0.00000 3300 409 TIP3 H2 28.40898 9.71153 9.95161 WAT 126 0.00000 3301 410 TIP3 OH2 31.07748 19.77140 18.95283 WAT 127 17.14876 3302 410 TIP3 H1 31.36323 19.13840 18.25629 WAT 127 0.00000 3303 410 TIP3 H2 30.74999 20.52418 18.41769 WAT 127 0.00000 3304 411 TIP3 OH2 26.54459 9.51851 7.65527 WAT 128 16.30497 3305 411 TIP3 H1 26.77792 10.38701 7.25568 WAT 128 0.00000 3306 411 TIP3 H2 26.74590 8.88961 6.93919 WAT 128 0.00000 3307 412 TIP3 OH2 31.50231 13.56462 7.25749 WAT 129 17.07933 3308 412 TIP3 H1 30.67886 14.04656 7.51818 WAT 129 0.00000 3309 412 TIP3 H2 31.22207 13.20941 6.38631 WAT 129 0.00000 3310 413 TIP3 OH2 18.00731 15.95025 25.89550 WAT 130 15.19738 3311 413 TIP3 H1 18.92924 15.74782 26.14916 WAT 130 0.00000 3312 413 TIP3 H2 17.78951 15.12016 25.44790 WAT 130 0.00000 3313 414 TIP3 OH2 26.37709 18.26530 22.75907 WAT 131 27.68692 3314 414 TIP3 H1 26.23134 18.89478 23.46761 WAT 131 0.00000 3315 414 TIP3 H2 25.84434 17.50768 23.07711 WAT 131 0.00000 3316 415 TIP3 OH2 29.41241 15.18266 7.87403 WAT 132 12.12377 3317 415 TIP3 H1 28.52956 15.11675 7.41872 WAT 132 0.00000 3318 415 TIP3 H2 29.45729 16.13603 7.96712 WAT 132 0.00000 3319 416 TIP3 OH2 22.25724 19.05797 22.30915 WAT 133 15.32483 3320 416 TIP3 H1 21.62412 19.74153 22.58835 WAT 133 0.00000 3321 416 TIP3 H2 21.68159 18.37696 21.93497 WAT 133 0.00000 3322 417 TIP3 OH2 20.17319 20.97559 22.71519 WAT 135 30.57100 3323 417 TIP3 H1 19.46820 20.83331 23.37153 WAT 135 0.00000 3324 417 TIP3 H2 19.63978 21.19040 21.91759 WAT 135 0.00000 3325 418 TIP3 OH2 8.87310 34.77030 21.57325 WAT 136 0.00000 3326 418 TIP3 H1 9.27027 34.80644 20.67131 WAT 136 0.00000 3327 418 TIP3 H2 9.68071 34.79904 22.12806 WAT 136 0.00000 3328 419 TIP3 OH2 -9.49931 22.20156 13.85435 WAT 137 0.00000 3329 419 TIP3 H1 -8.72175 22.74965 13.66828 WAT 137 0.00000 3330 419 TIP3 H2 -9.07302 21.33620 14.03410 WAT 137 0.00000 3331 420 TIP3 OH2 5.23746 31.34810 20.36363 WAT 138 0.00000 3332 420 TIP3 H1 4.93319 30.77076 19.63197 WAT 138 0.00000 3333 420 TIP3 H2 5.54164 32.13982 19.87151 WAT 138 0.00000 3334 421 TIP3 OH2 11.49303 29.39259 14.26210 WAT 139 58.16864 3335 421 TIP3 H1 11.93091 28.59656 13.95195 WAT 139 0.00000 3336 421 TIP3 H2 12.21396 29.90570 14.67605 WAT 139 0.00000 3337 422 TIP3 OH2 14.70516 35.49094 11.04553 WAT 141 5.56972 3338 422 TIP3 H1 14.89109 34.56340 10.81525 WAT 141 0.00000 3339 422 TIP3 H2 15.00355 35.55208 11.97556 WAT 141 0.00000 3340 423 TIP3 OH2 0.45786 31.90336 11.52157 WAT 142 65.64968 3341 423 TIP3 H1 0.51094 32.86491 11.68422 WAT 142 0.00000 3342 423 TIP3 H2 1.35493 31.61361 11.74949 WAT 142 0.00000 3343 424 TIP3 OH2 0.79178 34.41642 16.80712 WAT 143 4.61524 3344 424 TIP3 H1 -0.02980 34.95665 16.75226 WAT 143 0.00000 3345 424 TIP3 H2 1.21319 34.68689 15.97098 WAT 143 0.00000 3346 425 TIP3 OH2 10.41563 30.53282 19.21139 WAT 144 19.24450 3347 425 TIP3 H1 10.32855 31.06465 18.40784 WAT 144 0.00000 3348 425 TIP3 H2 11.35697 30.23638 19.11123 WAT 144 0.00000 3349 426 TIP3 OH2 -2.03963 30.67817 11.47798 WAT 145 21.68674 3350 426 TIP3 H1 -1.82568 29.90580 12.01198 WAT 145 0.00000 3351 426 TIP3 H2 -1.17805 31.14728 11.44514 WAT 145 0.00000 3352 427 TIP3 OH2 6.26827 35.42615 21.24291 WAT 146 0.00000 3353 427 TIP3 H1 5.96767 34.79691 20.56157 WAT 146 0.00000 3354 427 TIP3 H2 7.23053 35.22891 21.28207 WAT 146 0.00000 3355 428 TIP3 OH2 -1.75453 24.40935 12.28354 WAT 147 9.14814 3356 428 TIP3 H1 -1.71768 24.21894 11.30959 WAT 147 0.00000 3357 428 TIP3 H2 -1.02664 23.80111 12.53590 WAT 147 0.00000 3358 429 TIP3 OH2 2.36700 35.17434 19.26694 WAT 148 0.03338 3359 429 TIP3 H1 1.81090 34.38334 19.38213 WAT 148 0.00000 3360 429 TIP3 H2 2.08450 35.46531 18.38187 WAT 148 0.00000 3361 430 TIP3 OH2 7.90962 32.59173 19.53956 WAT 149 15.19284 3362 430 TIP3 H1 7.75518 32.09534 18.69749 WAT 149 0.00000 3363 430 TIP3 H2 8.56105 33.26956 19.26994 WAT 149 0.00000 3364 431 TIP3 OH2 11.86494 33.77704 20.60681 WAT 150 0.00000 3365 431 TIP3 H1 11.17217 34.10714 19.97999 WAT 150 0.00000 3366 431 TIP3 H2 12.65256 33.93828 20.05629 WAT 150 0.00000 3367 432 TIP3 OH2 11.12638 34.53502 23.16128 WAT 151 0.00000 3368 432 TIP3 H1 11.82946 34.93917 23.72072 WAT 151 0.00000 3369 432 TIP3 H2 11.62624 34.34182 22.34137 WAT 151 0.00000 3370 433 TIP3 OH2 4.10400 29.55860 18.56779 WAT 153 37.54405 3371 433 TIP3 H1 4.00744 28.58725 18.62866 WAT 153 0.00000 3372 433 TIP3 H2 4.81247 29.60258 17.86662 WAT 153 0.00000 3373 434 TIP3 OH2 -3.17044 22.25764 13.41670 WAT 154 6.97194 3374 434 TIP3 H1 -2.99463 23.06949 12.90714 WAT 154 0.00000 3375 434 TIP3 H2 -2.55765 22.38294 14.16036 WAT 154 0.00000 3376 435 TIP3 OH2 4.90177 34.02765 19.26197 WAT 155 1.78344 3377 435 TIP3 H1 4.00341 34.39097 19.38496 WAT 155 0.00000 3378 435 TIP3 H2 5.24421 34.67598 18.62276 WAT 155 0.00000 3379 436 TIP3 OH2 -2.04873 21.39100 17.40656 WAT 156 28.17020 3380 436 TIP3 H1 -2.28422 22.29005 17.72076 WAT 156 0.00000 3381 436 TIP3 H2 -1.70054 21.58996 16.51432 WAT 156 0.00000 3382 437 TIP3 OH2 -4.53595 25.86449 10.14283 WAT 157 1.15673 3383 437 TIP3 H1 -4.12953 25.20569 9.54234 WAT 157 0.00000 3384 437 TIP3 H2 -5.48782 25.65156 10.04426 WAT 157 0.00000 3385 438 TIP3 OH2 13.03079 30.00731 18.88174 WAT 158 14.28949 3386 438 TIP3 H1 13.61229 30.78585 18.74439 WAT 158 0.00000 3387 438 TIP3 H2 13.68885 29.33875 19.16380 WAT 158 0.00000 3388 439 TIP3 OH2 -5.68443 23.55031 17.72564 WAT 159 0.00000 3389 439 TIP3 H1 -5.80693 23.41269 16.75747 WAT 159 0.00000 3390 439 TIP3 H2 -6.61386 23.76763 17.95096 WAT 159 0.00000 3391 440 TIP3 OH2 11.96138 28.77656 21.91322 WAT 160 0.25354 3392 440 TIP3 H1 12.90869 28.59368 22.12799 WAT 160 0.00000 3393 440 TIP3 H2 11.93307 29.73832 21.98937 WAT 160 0.00000 3394 441 TIP3 OH2 -3.35027 28.02921 14.79830 WAT 161 22.73711 3395 441 TIP3 H1 -3.48095 27.54303 13.95846 WAT 161 0.00000 3396 441 TIP3 H2 -2.39470 27.86030 14.93961 WAT 161 0.00000 3397 442 TIP3 OH2 2.05366 35.74604 14.51646 WAT 162 21.98284 3398 442 TIP3 H1 2.95294 35.45986 14.21521 WAT 162 0.00000 3399 442 TIP3 H2 2.03293 36.60489 14.06320 WAT 162 0.00000 3400 443 TIP3 OH2 10.77453 31.51144 21.75958 WAT 163 0.11067 3401 443 TIP3 H1 11.23607 32.35189 21.54289 WAT 163 0.00000 3402 443 TIP3 H2 10.69482 31.14555 20.85429 WAT 163 0.00000 3403 444 TIP3 OH2 4.84646 28.57617 23.57220 WAT 164 28.97894 3404 444 TIP3 H1 3.91881 28.33114 23.76041 WAT 164 0.00000 3405 444 TIP3 H2 5.17817 27.70428 23.25012 WAT 164 0.00000 3406 445 TIP3 OH2 0.11480 29.14693 20.61419 WAT 165 9.34544 3407 445 TIP3 H1 0.62030 29.36881 19.80169 WAT 165 0.00000 3408 445 TIP3 H2 -0.62997 28.63010 20.24049 WAT 165 0.00000 3409 446 TIP3 OH2 1.40510 29.94944 18.39207 WAT 166 31.58597 3410 446 TIP3 H1 2.37206 29.76172 18.39601 WAT 166 0.00000 3411 446 TIP3 H2 1.02701 29.18912 17.89265 WAT 166 0.00000 3412 447 TIP3 OH2 8.14037 29.10396 22.92993 WAT 167 6.48863 3413 447 TIP3 H1 7.92872 30.04769 22.76317 WAT 167 0.00000 3414 447 TIP3 H2 8.97284 29.25460 23.43273 WAT 167 0.00000 3415 448 TIP3 OH2 -3.44353 26.57321 12.50892 WAT 168 0.19607 3416 448 TIP3 H1 -2.81737 25.82138 12.53312 WAT 168 0.00000 3417 448 TIP3 H2 -3.86039 26.40751 11.63854 WAT 168 0.00000 3418 449 TIP3 OH2 7.93071 31.63136 22.06296 WAT 169 2.34806 3419 449 TIP3 H1 7.77114 32.09618 21.20747 WAT 169 0.00000 3420 449 TIP3 H2 8.85484 31.90962 22.21133 WAT 169 0.00000 3421 450 TIP3 OH2 15.00878 28.31246 19.82359 WAT 170 10.39795 3422 450 TIP3 H1 14.87666 28.21835 20.80314 WAT 170 0.00000 3423 450 TIP3 H2 15.35784 27.42770 19.61087 WAT 170 0.00000 3424 451 TIP3 OH2 19.43293 32.47234 21.59259 WAT 171 0.00000 3425 451 TIP3 H1 18.81178 32.78343 22.27820 WAT 171 0.00000 3426 451 TIP3 H2 18.87379 32.48803 20.79518 WAT 171 0.00000 3427 452 TIP3 OH2 18.87454 24.23451 21.28013 WAT 172 9.17359 3428 452 TIP3 H1 18.86461 23.26747 21.07263 WAT 172 0.00000 3429 452 TIP3 H2 18.51569 24.23163 22.18714 WAT 172 0.00000 3430 453 TIP3 OH2 21.45557 34.03752 7.62975 WAT 173 0.23744 3431 453 TIP3 H1 20.63626 34.03961 8.16260 WAT 173 0.00000 3432 453 TIP3 H2 21.58994 34.99357 7.46937 WAT 173 0.00000 3433 454 TIP3 OH2 20.71553 27.78950 21.62509 WAT 174 0.00000 3434 454 TIP3 H1 19.74843 27.61481 21.54013 WAT 174 0.00000 3435 454 TIP3 H2 20.70285 28.65194 22.10056 WAT 174 0.00000 3436 455 TIP3 OH2 18.33195 31.37136 19.07878 WAT 175 0.52308 3437 455 TIP3 H1 19.05780 30.72277 19.19571 WAT 175 0.00000 3438 455 TIP3 H2 17.64070 31.02009 19.67768 WAT 175 0.00000 3439 456 TIP3 OH2 31.22415 22.56378 13.63325 WAT 176 17.98208 3440 456 TIP3 H1 30.83622 23.35417 14.07117 WAT 176 0.00000 3441 456 TIP3 H2 31.85099 22.27120 14.31018 WAT 176 0.00000 3442 457 TIP3 OH2 21.91317 33.49946 21.00080 WAT 177 0.00000 3443 457 TIP3 H1 22.31877 33.99070 21.74177 WAT 177 0.00000 3444 457 TIP3 H2 21.03580 33.24375 21.35880 WAT 177 0.00000 3445 458 TIP3 OH2 26.01475 32.53958 16.98196 WAT 178 0.00000 3446 458 TIP3 H1 26.09006 31.56978 17.07134 WAT 178 0.00000 3447 458 TIP3 H2 26.39129 32.69037 16.09160 WAT 178 0.00000 3448 459 TIP3 OH2 27.62503 23.49151 24.06144 WAT 179 0.00000 3449 459 TIP3 H1 27.27801 23.26370 24.94636 WAT 179 0.00000 3450 459 TIP3 H2 28.51210 23.11047 24.15913 WAT 179 0.00000 3451 460 TIP3 OH2 19.28889 35.57220 24.35548 WAT 180 0.00000 3452 460 TIP3 H1 19.64921 36.10321 23.61034 WAT 180 0.00000 3453 460 TIP3 H2 18.91830 36.29296 24.89576 WAT 180 0.00000 3454 461 TIP3 OH2 27.85254 27.22536 11.08838 WAT 181 42.77738 3455 461 TIP3 H1 28.39976 27.29828 10.27821 WAT 181 0.00000 3456 461 TIP3 H2 28.32252 26.51111 11.56276 WAT 181 0.00000 3457 462 TIP3 OH2 14.90900 32.95664 9.97941 WAT 182 17.91085 3458 462 TIP3 H1 15.27571 32.86010 9.08737 WAT 182 0.00000 3459 462 TIP3 H2 14.13829 32.35177 9.95595 WAT 182 0.00000 3460 463 TIP3 OH2 25.25283 30.31024 11.35246 WAT 183 19.96309 3461 463 TIP3 H1 24.75779 30.64406 10.57552 WAT 183 0.00000 3462 463 TIP3 H2 25.50442 29.42903 11.04611 WAT 183 0.00000 3463 464 TIP3 OH2 14.71636 32.15566 18.64721 WAT 184 1.57197 3464 464 TIP3 H1 15.46615 32.28155 18.02225 WAT 184 0.00000 3465 464 TIP3 H2 14.31000 33.05057 18.60201 WAT 184 0.00000 3466 465 TIP3 OH2 25.84090 33.13634 10.63397 WAT 185 1.64605 3467 465 TIP3 H1 26.07118 32.36324 11.16497 WAT 185 0.00000 3468 465 TIP3 H2 25.10324 32.76751 10.10763 WAT 185 0.00000 3469 466 TIP3 OH2 21.06056 29.75985 13.64853 WAT 186 27.60755 3470 466 TIP3 H1 21.64425 30.04272 14.38003 WAT 186 0.00000 3471 466 TIP3 H2 20.93823 28.81313 13.82759 WAT 186 0.00000 3472 467 TIP3 OH2 24.51303 31.11610 21.04879 WAT 187 0.00000 3473 467 TIP3 H1 23.97215 31.21020 20.23905 WAT 187 0.00000 3474 467 TIP3 H2 25.15250 30.41925 20.78413 WAT 187 0.00000 3475 468 TIP3 OH2 23.52370 27.09666 21.52668 WAT 188 0.00000 3476 468 TIP3 H1 23.78954 27.85739 22.08339 WAT 188 0.00000 3477 468 TIP3 H2 22.65081 27.40851 21.23330 WAT 188 0.00000 3478 469 TIP3 OH2 27.52505 25.53954 18.21177 WAT 189 0.00000 3479 469 TIP3 H1 27.06163 25.64380 19.06663 WAT 189 0.00000 3480 469 TIP3 H2 27.13868 24.71492 17.88670 WAT 189 0.00000 3481 470 TIP3 OH2 22.01625 31.63162 6.61780 WAT 190 16.50876 3482 470 TIP3 H1 21.84923 32.57409 6.85592 WAT 190 0.00000 3483 470 TIP3 H2 21.74492 31.22314 7.45948 WAT 190 0.00000 3484 471 TIP3 OH2 22.83220 30.64967 15.57257 WAT 191 1.74761 3485 471 TIP3 H1 23.62225 30.66302 14.99405 WAT 191 0.00000 3486 471 TIP3 H2 22.90596 31.52845 15.99804 WAT 191 0.00000 3487 472 TIP3 OH2 29.83285 21.93589 17.72792 WAT 192 8.73314 3488 472 TIP3 H1 30.05999 22.88580 17.67642 WAT 192 0.00000 3489 472 TIP3 H2 29.50655 21.75666 16.82458 WAT 192 0.00000 3490 473 TIP3 OH2 29.93119 27.88525 9.53788 WAT 193 61.38401 3491 473 TIP3 H1 30.09104 28.66295 10.08451 WAT 193 0.00000 3492 473 TIP3 H2 30.82105 27.71858 9.17134 WAT 193 0.00000 3493 474 TIP3 OH2 25.54395 25.46163 20.30382 WAT 194 2.93154 3494 474 TIP3 H1 25.04794 26.10182 20.85072 WAT 194 0.00000 3495 474 TIP3 H2 24.88274 25.28898 19.60958 WAT 194 0.00000 3496 475 TIP3 OH2 20.48226 29.64713 19.35377 WAT 195 1.93411 3497 475 TIP3 H1 20.56994 28.93909 20.01224 WAT 195 0.00000 3498 475 TIP3 H2 20.88677 29.23029 18.56360 WAT 195 0.00000 3499 476 TIP3 OH2 21.99648 28.62360 17.30730 WAT 196 8.01004 3500 476 TIP3 H1 22.22467 29.33313 16.66501 WAT 196 0.00000 3501 476 TIP3 H2 22.84960 28.55691 17.79069 WAT 196 0.00000 3502 477 TIP3 OH2 23.48662 25.69731 18.40206 WAT 197 11.51162 3503 477 TIP3 H1 23.71766 26.64472 18.52142 WAT 197 0.00000 3504 477 TIP3 H2 22.65804 25.61805 18.91623 WAT 197 0.00000 3505 478 TIP3 OH2 25.71159 29.77780 16.72370 WAT 198 3.30137 3506 478 TIP3 H1 26.29283 29.00051 16.57726 WAT 198 0.00000 3507 478 TIP3 H2 25.43397 29.98121 15.81074 WAT 198 0.00000 3508 479 TIP3 OH2 29.49588 29.02064 12.25393 WAT 199 14.21967 3509 479 TIP3 H1 28.84590 28.44879 11.79147 WAT 199 0.00000 3510 479 TIP3 H2 28.91550 29.30512 12.99755 WAT 199 0.00000 3511 480 TIP3 OH2 23.35830 33.03866 16.99063 WAT 200 0.00000 3512 480 TIP3 H1 23.06237 32.58526 17.80794 WAT 200 0.00000 3513 480 TIP3 H2 24.33096 32.91552 17.05328 WAT 200 0.00000 3514 481 TIP3 OH2 28.85836 21.55632 15.10786 WAT 201 22.95313 3515 481 TIP3 H1 29.57876 21.68946 14.47227 WAT 201 0.00000 3516 481 TIP3 H2 28.58609 20.63065 14.85963 WAT 201 0.00000 3517 482 TIP3 OH2 16.12552 30.75113 20.59460 WAT 202 0.00000 3518 482 TIP3 H1 15.78757 29.86890 20.34332 WAT 202 0.00000 3519 482 TIP3 H2 15.57187 31.33512 20.03613 WAT 202 0.00000 3520 483 TIP3 OH2 29.66382 25.61492 12.37812 WAT 203 17.44295 3521 483 TIP3 H1 30.48970 25.71012 11.86366 WAT 203 0.00000 3522 483 TIP3 H2 29.98938 25.40230 13.26932 WAT 203 0.00000 3523 484 TIP3 OH2 25.09652 25.48378 16.05858 WAT 204 34.29905 3524 484 TIP3 H1 25.61965 24.66054 16.01665 WAT 204 0.00000 3525 484 TIP3 H2 24.51599 25.35107 16.83041 WAT 204 0.00000 3526 485 TIP3 OH2 20.70545 26.19839 16.96371 WAT 205 18.33043 3527 485 TIP3 H1 21.51269 25.74092 16.68850 WAT 205 0.00000 3528 485 TIP3 H2 21.05555 27.11325 17.06585 WAT 205 0.00000 3529 486 TIP3 OH2 27.72361 29.28264 14.26154 WAT 206 2.29274 3530 486 TIP3 H1 27.55804 28.55372 14.89296 WAT 206 0.00000 3531 486 TIP3 H2 26.83871 29.66086 14.14187 WAT 206 0.00000 3532 487 TIP3 OH2 22.50413 31.60156 19.16863 WAT 207 0.00000 3533 487 TIP3 H1 21.73880 30.99970 19.24729 WAT 207 0.00000 3534 487 TIP3 H2 22.27296 32.29307 19.82951 WAT 207 0.00000 3535 488 TIP3 OH2 25.22682 30.65759 14.10026 WAT 208 5.13513 3536 488 TIP3 H1 25.12637 30.52455 13.12754 WAT 208 0.00000 3537 488 TIP3 H2 25.72378 31.50880 14.10883 WAT 208 0.00000 3538 489 TIP3 OH2 20.78230 30.29778 22.69726 WAT 209 0.00000 3539 489 TIP3 H1 20.31994 30.97910 22.16461 WAT 209 0.00000 3540 489 TIP3 H2 20.81388 30.77029 23.56058 WAT 209 0.00000 3541 490 TIP3 OH2 24.02566 31.61649 9.18764 WAT 210 12.70529 3542 490 TIP3 H1 23.11068 31.28794 9.29246 WAT 210 0.00000 3543 490 TIP3 H2 24.00301 31.89604 8.26109 WAT 210 0.00000 3544 491 TIP3 OH2 20.89969 25.40801 19.60496 WAT 211 15.04483 3545 491 TIP3 H1 20.11279 25.00651 20.01738 WAT 211 0.00000 3546 491 TIP3 H2 20.55097 25.69732 18.74250 WAT 211 0.00000 3547 492 TIP3 OH2 24.37736 28.34435 18.67523 WAT 212 0.00000 3548 492 TIP3 H1 24.96024 28.43443 19.46273 WAT 212 0.00000 3549 492 TIP3 H2 24.87384 28.91091 18.04587 WAT 212 0.00000 3550 493 TIP3 OH2 27.48538 23.64655 21.27919 WAT 213 12.84093 3551 493 TIP3 H1 26.77616 24.28402 21.07765 WAT 213 0.00000 3552 493 TIP3 H2 27.48125 23.63809 22.26096 WAT 213 0.00000