HEADER SNAKE TOXIN 27-MAR-95 1FSC 1FSC 2 COMPND FASCICULIN 2 (SYNCHROTRON X-RAY DIFFRACTION) 1FSC 3 SOURCE GREEN MAMBA (DENDROASPIS ANGUSTICEPS) VENOM 1FSC 4 EXPDTA SYNCHROTRON X-RAY DIFFRACTION 1FSC 5 AUTHOR D.HOUSSET,M.H.LE DU,J.C.FONTECILLA-CAMPS 1FSC 6 REVDAT 1 10-JUL-95 1FSC 0 1FSC 7 JRNL AUTH M.H.LE DU,D.HOUSSET,P.MARCHOT,P.E.BOUGIS,J.NAVAZA, 1FSC 8 JRNL AUTH 2 J.C.FONTECILLA-CAMPS 1FSC 9 JRNL TITL CRYSTAL STRUCTURE OF FASCICULIN 2 FROM GREEN MAMBA 1FSC 10 JRNL TITL 2 SNAKE VENOM: EVIDENCE FOR UNUSUAL LOOP FLEXIBILITY 1FSC 11 JRNL REF TO BE PUBLISHED 1FSC 12 JRNL REFN 0353 1FSC 13 REMARK 1 1FSC 14 REMARK 1 REFERENCE 1 1FSC 15 REMARK 1 AUTH M.H.LE DU,P.MARCHOT,P.E.BOUGIS,J.C.FONTECILLA-CAMPS 1FSC 16 REMARK 1 TITL 1.9-ANGSTROMS RESOLUTION STRUCTURE OF FASCICULIN 1, 1FSC 17 REMARK 1 TITL 2 AN ANTI-ACETYLCHOLINESTERASE TOXIN FROM GREEN MAMBA 1FSC 18 REMARK 1 TITL 3 SNAKE VENOM 1FSC 19 REMARK 1 REF J.BIOL.CHEM. V. 267 22122 1992 1FSC 20 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 0071 1FSC 21 REMARK 1 REFERENCE 2 1FSC 22 REMARK 1 AUTH M.H.LE,P.MARCHOT,P.E.BOUGIS,J.C.FONTECILLA-CAMPS 1FSC 23 REMARK 1 TITL CRYSTALS OF FASCICULIN 2 FROM GREEN MAMBA SNAKE 1FSC 24 REMARK 1 TITL 2 VENOM 1FSC 25 REMARK 1 REF J.BIOL.CHEM. V. 264 21401 1989 1FSC 26 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 0071 1FSC 27 REMARK 2 1FSC 28 REMARK 2 RESOLUTION. 2.0 ANGSTROMS. 1FSC 29 REMARK 3 1FSC 30 REMARK 3 REFINEMENT. 1FSC 31 REMARK 3 PROGRAM X-PLOR V. 3.0 1FSC 32 REMARK 3 AUTHORS BRUNGER 1FSC 33 REMARK 3 R VALUE 0.188 1FSC 34 REMARK 3 MEAN B VALUE 27.82 ANGSTROMS**2 1FSC 35 REMARK 3 NUMBER OF REFLECTIONS 6287 1FSC 36 REMARK 3 RESOLUTION RANGE 10.0 - 2.0 ANGSTROMS 1FSC 37 REMARK 3 DATA CUTOFF 2.5 SIGMA(F) 1FSC 38 REMARK 3 COMPLETENESS FOR RANGE 88. % 1FSC 39 REMARK 3 RMSD BOND DISTANCES 0.016 ANGSTROMS 1FSC 40 REMARK 3 RMSD BOND ANGLES 2.01 DEGREES 1FSC 41 REMARK 3 RMSD DIHEDRAL ANGLES 26.93 DEGREES 1FSC 42 REMARK 3 RMSD IMPROPER ANGLES 1.34 DEGREES 1FSC 43 REMARK 3 1FSC 44 REMARK 3 DATA COLLECTION. 1FSC 45 REMARK 3 NUMBER OF UNIQUE REFLECTIONS 6363 1FSC 46 REMARK 3 COMPLETENESS OF DATA 90. % 1FSC 47 REMARK 3 REJECTION CRITERIA 2.5 SIGMA(I) 1FSC 48 REMARK 3 1FSC 49 REMARK 3 SOLVENT CONTENT (VS) 66. % 1FSC 50 REMARK 3 MATTHEWS COEFFICIENT 3.64 ANGSTROMS**3/DA 1FSC 51 REMARK 3 1FSC 52 REMARK 3 NUMBER OF ATOMS USED IN REFINEMENT. 1FSC 53 REMARK 3 NUMBER OF PROTEIN ATOMS 464 1FSC 54 REMARK 3 NUMBER OF NUCLEIC ACID ATOMS 0 1FSC 55 REMARK 3 NUMBER OF HETEROGEN ATOMS 2 1FSC 56 REMARK 3 NUMBER OF SOLVENT ATOMS 55 1FSC 57 REMARK 3 1FSC 58 REMARK 3 AN OVERALL ANISOTROPIC B-FACTOR HAS BEEN APPLIED TO THE 1FSC 59 REMARK 3 FOBS: B11 = B22 = -0.081 B33 = 0.157. THE AVERAGE 1FSC 60 REMARK 3 B FACTOR IS 25 A**2 FOR MAIN CHAIN, 31 A**2 FOR SIDE 1FSC 61 REMARK 3 CHAINS. THE MODEL INCLUDE 55 SOLVENT SITES AND TWO 1FSC 62 REMARK 3 ATOMS (DET) EXPECTED TO BE PART OF THE DETERGENT MOLECULE. 1FSC 63 REMARK 4 1FSC 64 REMARK 4 FASCICULIN 2 IS AN ANTICHOLINESTERASE TOXIN ISOLATED 1FSC 65 REMARK 4 FROM GREEN MAMBA (DENDROASPIS ANGUSTICEPS) SNAKE VENOM. 1FSC 66 REMARK 5 1FSC 67 REMARK 5 THE CRYSTALS ONLY GROW IN THE PRESENCE OF 1FSC 68 REMARK 5 BETA-OCTYL GLUCOSIDE. DURING REFINEMENT THE FO-FC ELECTRON 1FSC 69 REMARK 5 DENSITY MAP SHOWED A LARGE POSITIVE PEAK IN A HYDROPHOBIC 1FSC 70 REMARK 5 POCKET AT THE INTERFACE BETWEEN THE TWO MOLECULES FORMING 1FSC 71 REMARK 5 THE CRYSTALLOGRAPHIC DIMER. FOR THE PURPOSE OF REFINEMENT, 1FSC 72 REMARK 5 TWO OXYGEN ATOMS WERE MODELED IN THIS DENSITY. 1FSC 73 REMARK 5 VAN DER WAALS INTERACTIONS BETWEEN THESE TWO ATOMS WERE 1FSC 74 REMARK 5 INTENTIONALLY SWITCHED OFF TO LET THEM FREE TO MOVE TO THE 1FSC 75 REMARK 5 OPTIMAL POSITION. IT EXPLAINS THE SHORT DISTANCE (1.7 A) 1FSC 76 REMARK 5 BETWEEN THEM. THE AUTHORS DISCUSS THIS IN THE PAPER CITED 1FSC 77 REMARK 5 ON JRNL RECORDS AND BELIEVE THAT THIS POCKET COULD BE 1FSC 78 REMARK 5 OCCUPIED BY PART OF THE ALIPHATIC CHAIN OF THE BETA-OCTYL 1FSC 79 REMARK 5 GLUCOSIDE MOLECULE. THE TWO OXYGENS ARE PRESENTED AS O 156 1FSC 80 REMARK 5 AND O 157 BELOW. 1FSC 81 REMARK 6 1FSC 82 REMARK 6 SHEET 1FSC 83 REMARK 6 SHEET_ID: AB, DETERMINATION METHOD: DSSP. 1FSC 84 REMARK 7 1FSC 85 REMARK 7 TURN 1FSC 86 REMARK 7 DETERMINATION METHOD: DSSP 1FSC 87 REMARK 8 1FSC 88 REMARK 8 ORIGINAL DEPOSITION REVISED PRIOR TO RELEASE 1FSC 89 REMARK 8 TRACKING NUMBER: T6185, DATE REVISED: 16-MAY-95 1FSC 90 REMARK 18 1FSC 91 REMARK 18 EXPERIMENTAL DETAILS. EXPERIMENT 1. 1FSC 92 REMARK 18 DATE OF DATA COLLECTION : 1992 1FSC 93 REMARK 18 MONOCHROMATIC (Y/N) : Y 1FSC 94 REMARK 18 WAVELENGTH OR RANGE (A) : 1.54 1FSC 95 REMARK 18 DETECTOR MANUFACTURER : XENTRONICS 1FSC 96 REMARK 18 INTENSITY-INTEGRATION SOFTWARE : XENGEN 1FSC 97 REMARK 18 DATA REDUNDANCY : 2.6 1FSC 98 REMARK 18 MERGING R VALUE (INTENSITY) : 0.048 1FSC 99 REMARK 18 1FSC 100 REMARK 18 EXPERIMENTAL DETAILS. EXPERIMENT 2. 1FSC 101 REMARK 18 DATE OF DATA COLLECTION : 1992 1FSC 102 REMARK 18 SOURCE : ORSAY LURE 1FSC 103 REMARK 18 BEAMLINE : W32 1FSC 104 REMARK 18 MONOCHROMATIC (Y/N) : Y 1FSC 105 REMARK 18 WAVELENGTH OR RANGE (A) : 0.90 1FSC 106 REMARK 18 DETECTOR TYPE : IMAGE PLATE 1FSC 107 REMARK 18 DETECTOR MANUFACTURER : MAR RESEARCH 1FSC 108 REMARK 18 INTENSITY-INTEGRATION SOFTWARE : MOSFLM 1FSC 109 REMARK 18 DATA REDUNDANCY : 3.3 1FSC 110 REMARK 18 MERGING R VALUE (INTENSITY) : 0.058 1FSC 111 REMARK 999 1FSC 112 REMARK 999 CROSS REFERENCE TO SEQUENCE DATABASE 1FSC 113 REMARK 999 SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME 1FSC 114 REMARK 999 TXF7_DENAN 1FSC 115 SEQRES 1 61 THR MET CYS TYR SER HIS THR THR THR SER ARG ALA ILE 1FSC 116 SEQRES 2 61 LEU THR ASN CYS GLY GLU ASN SER CYS TYR ARG LYS SER 1FSC 117 SEQRES 3 61 ARG ARG HIS PRO PRO LYS MET VAL LEU GLY ARG GLY CYS 1FSC 118 SEQRES 4 61 GLY CYS PRO PRO GLY ASP ASP ASN LEU GLU VAL LYS CYS 1FSC 119 SEQRES 5 61 CYS THR SER PRO ASP LYS CYS ASN TYR 1FSC 120 FTNOTE 1 1FSC 121 FTNOTE 1 CIS PROLINE - PRO 31 1FSC 122 FTNOTE 2 1FSC 123 FTNOTE 2 CIS PROLINE - PRO 56 1FSC 124 HET O 156 1 SEE REMARK 8 1FSC 125 HET O 157 1 SEE REMARK 8 1FSC 126 FORMUL 2 O 2(O1) 1FSC 127 FORMUL 3 HOH *55(H2 O1) 1FSC 128 SHEET 1 AB 2 CYS 3 SER 5 0 1FSC 129 SHEET 2 AB 2 ILE 13 THR 15 -1 O THR 15 N CYS 3 1FSC 130 SHEET 1 DCE 3 VAL 34 CYS 39 0 1FSC 131 SHEET 2 DCE 3 CYS 22 ARG 27 -1 N TYR 23 O GLY 38 1FSC 132 SHEET 3 DCE 3 LEU 48 CYS 53 -1 O GLU 49 N SER 26 1FSC 133 TURN 1 T2 CYS 17 ASN 20 TYPE I BEND 1FSC 134 TURN 2 T3 ASP 45 LEU 48 TYPE NON-STANDARD BEND 1FSC 135 TURN 3 T4 PRO 56 CYS 59 TYPE II BEND 1FSC 136 TURN 4 T5 LYS 58 TYR 61 TYPE I BEND 1FSC 137 SSBOND 1 CYS 3 CYS 22 1FSC 138 SSBOND 2 CYS 17 CYS 39 1FSC 139 SSBOND 3 CYS 41 CYS 52 1FSC 140 SSBOND 4 CYS 53 CYS 59 1FSC 141 CRYST1 48.930 48.930 82.180 90.00 90.00 90.00 P 41 21 2 8 1FSC 142 ORIGX1 1.000000 0.000000 0.000000 0.00000 1FSC 143 ORIGX2 0.000000 1.000000 0.000000 0.00000 1FSC 144 ORIGX3 0.000000 0.000000 1.000000 0.00000 1FSC 145 SCALE1 0.020437 0.000000 0.000000 0.00000 1FSC 146 SCALE2 0.000000 0.020437 0.000000 0.00000 1FSC 147 SCALE3 0.000000 0.000000 0.012168 0.00000 1FSC 148 ATOM 1 N THR 1 -4.965 28.290 7.243 1.00 31.23 1FSC 149 ATOM 2 CA THR 1 -5.255 26.833 7.162 1.00 29.04 1FSC 150 ATOM 3 C THR 1 -4.253 26.110 8.081 1.00 27.06 1FSC 151 ATOM 4 O THR 1 -3.141 26.590 8.274 1.00 27.32 1FSC 152 ATOM 5 CB THR 1 -5.101 26.392 5.694 1.00 29.96 1FSC 153 ATOM 6 OG1 THR 1 -5.894 27.267 4.898 1.00 35.08 1FSC 154 ATOM 7 CG2 THR 1 -5.599 24.978 5.459 1.00 30.72 1FSC 155 ATOM 8 N MET 2 -4.688 25.016 8.699 1.00 23.88 1FSC 156 ATOM 9 CA MET 2 -3.826 24.080 9.372 1.00 22.38 1FSC 157 ATOM 10 C MET 2 -3.254 23.081 8.384 1.00 24.09 1FSC 158 ATOM 11 O MET 2 -4.008 22.471 7.646 1.00 25.98 1FSC 159 ATOM 12 CB MET 2 -4.600 23.314 10.406 1.00 21.67 1FSC 160 ATOM 13 CG MET 2 -5.204 24.189 11.465 1.00 25.77 1FSC 161 ATOM 14 SD MET 2 -4.040 25.028 12.518 1.00 28.87 1FSC 162 ATOM 15 CE MET 2 -2.980 23.707 13.105 1.00 24.53 1FSC 163 ATOM 16 N CYS 3 -1.943 22.867 8.426 1.00 20.90 1FSC 164 ATOM 17 CA CYS 3 -1.225 22.144 7.374 1.00 20.54 1FSC 165 ATOM 18 C CYS 3 -0.221 21.228 8.054 1.00 18.98 1FSC 166 ATOM 19 O CYS 3 0.370 21.581 9.077 1.00 19.50 1FSC 167 ATOM 20 CB CYS 3 -0.432 23.102 6.473 1.00 19.92 1FSC 168 ATOM 21 SG CYS 3 -1.327 24.485 5.694 1.00 25.34 1FSC 169 ATOM 22 N TYR 4 0.049 20.093 7.450 1.00 18.56 1FSC 170 ATOM 23 CA TYR 4 1.210 19.299 7.834 1.00 17.73 1FSC 171 ATOM 24 C TYR 4 2.516 19.982 7.435 1.00 17.14 1FSC 172 ATOM 25 O TYR 4 2.580 20.671 6.447 1.00 17.07 1FSC 173 ATOM 26 CB TYR 4 1.137 17.948 7.154 1.00 23.40 1FSC 174 ATOM 27 CG TYR 4 0.017 17.101 7.636 1.00 26.68 1FSC 175 ATOM 28 CD1 TYR 4 -0.016 16.668 8.946 1.00 29.73 1FSC 176 ATOM 29 CD2 TYR 4 -0.994 16.719 6.779 1.00 31.08 1FSC 177 ATOM 30 CE1 TYR 4 -1.025 15.874 9.395 1.00 35.64 1FSC 178 ATOM 31 CE2 TYR 4 -2.020 15.918 7.211 1.00 35.23 1FSC 179 ATOM 32 CZ TYR 4 -2.029 15.496 8.528 1.00 37.02 1FSC 180 ATOM 33 OH TYR 4 -3.043 14.691 8.998 1.00 42.81 1FSC 181 ATOM 34 N SER 5 3.586 19.738 8.151 1.00 16.01 1FSC 182 ATOM 35 CA SER 5 4.820 20.413 7.821 1.00 14.91 1FSC 183 ATOM 36 C SER 5 6.029 19.547 8.153 1.00 14.20 1FSC 184 ATOM 37 O SER 5 6.088 18.971 9.202 1.00 15.20 1FSC 185 ATOM 38 CB SER 5 4.832 21.725 8.590 1.00 18.44 1FSC 186 ATOM 39 OG SER 5 6.051 22.395 8.409 1.00 20.08 1FSC 187 ATOM 40 N HIS 6 6.921 19.327 7.200 1.00 15.48 1FSC 188 ATOM 41 CA HIS 6 8.181 18.627 7.437 1.00 15.99 1FSC 189 ATOM 42 C HIS 6 9.096 18.868 6.238 1.00 17.89 1FSC 190 ATOM 43 O HIS 6 8.657 19.144 5.130 1.00 19.12 1FSC 191 ATOM 44 CB HIS 6 7.953 17.094 7.644 1.00 15.86 1FSC 192 ATOM 45 CG HIS 6 7.340 16.366 6.465 1.00 15.69 1FSC 193 ATOM 46 ND1 HIS 6 8.042 15.945 5.352 1.00 18.01 1FSC 194 ATOM 47 CD2 HIS 6 6.050 15.998 6.237 1.00 13.10 1FSC 195 ATOM 48 CE1 HIS 6 7.161 15.356 4.495 1.00 15.36 1FSC 196 ATOM 49 NE2 HIS 6 5.941 15.373 5.003 1.00 13.76 1FSC 197 ATOM 50 N THR 7 10.387 18.771 6.446 1.00 18.96 1FSC 198 ATOM 51 CA THR 7 11.318 18.800 5.346 1.00 19.24 1FSC 199 ATOM 52 C THR 7 11.591 17.330 4.955 1.00 20.31 1FSC 200 ATOM 53 O THR 7 10.852 16.419 5.354 1.00 19.33 1FSC 201 ATOM 54 CB THR 7 12.626 19.508 5.787 1.00 19.47 1FSC 202 ATOM 55 OG1 THR 7 13.232 18.758 6.837 1.00 22.10 1FSC 203 ATOM 56 CG2 THR 7 12.351 20.933 6.306 1.00 20.75 1FSC 204 ATOM 57 N THR 8 12.611 17.060 4.149 1.00 22.17 1FSC 205 ATOM 58 CA THR 8 12.853 15.656 3.849 1.00 24.21 1FSC 206 ATOM 59 C THR 8 13.297 14.872 5.081 1.00 25.67 1FSC 207 ATOM 60 O THR 8 13.068 13.655 5.122 1.00 28.99 1FSC 208 ATOM 61 CB THR 8 13.918 15.483 2.779 1.00 25.14 1FSC 209 ATOM 62 OG1 THR 8 15.112 16.138 3.208 1.00 25.56 1FSC 210 ATOM 63 CG2 THR 8 13.457 16.052 1.475 1.00 22.84 1FSC 211 ATOM 64 N THR 9 13.896 15.514 6.094 1.00 24.25 1FSC 212 ATOM 65 CA THR 9 14.337 14.754 7.279 1.00 27.13 1FSC 213 ATOM 66 C THR 9 13.651 15.042 8.632 1.00 28.80 1FSC 214 ATOM 67 O THR 9 13.675 14.199 9.563 1.00 30.47 1FSC 215 ATOM 68 CB THR 9 15.831 14.933 7.478 1.00 27.89 1FSC 216 ATOM 69 OG1 THR 9 16.140 16.332 7.482 1.00 30.14 1FSC 217 ATOM 70 CG2 THR 9 16.602 14.272 6.343 1.00 27.92 1FSC 218 ATOM 71 N SER 10 13.015 16.208 8.740 1.00 27.49 1FSC 219 ATOM 72 CA SER 10 12.371 16.627 9.986 1.00 27.76 1FSC 220 ATOM 73 C SER 10 11.133 15.840 10.323 1.00 28.64 1FSC 221 ATOM 74 O SER 10 10.539 15.192 9.464 1.00 28.28 1FSC 222 ATOM 75 CB SER 10 12.006 18.127 9.948 1.00 25.47 1FSC 223 ATOM 76 OG SER 10 10.766 18.401 9.335 1.00 24.86 1FSC 224 ATOM 77 N ARG 11 10.814 15.834 11.616 1.00 30.52 1FSC 225 ATOM 78 CA ARG 11 9.603 15.202 12.120 1.00 32.05 1FSC 226 ATOM 79 C ARG 11 8.422 15.980 11.561 1.00 29.03 1FSC 227 ATOM 80 O ARG 11 8.536 17.174 11.326 1.00 30.13 1FSC 228 ATOM 81 CB ARG 11 9.609 15.230 13.660 1.00 38.39 1FSC 229 ATOM 82 CG ARG 11 10.645 14.291 14.256 1.00 46.87 1FSC 230 ATOM 83 CD ARG 11 10.927 14.545 15.744 1.00 56.34 1FSC 231 ATOM 84 NE ARG 11 11.960 13.644 16.303 1.00 63.86 1FSC 232 ATOM 85 CZ ARG 11 13.242 13.974 16.519 1.00 67.37 1FSC 233 ATOM 86 NH1 ARG 11 13.683 15.210 16.262 1.00 68.57 1FSC 234 ATOM 87 NH2 ARG 11 14.104 13.051 16.954 1.00 69.46 1FSC 235 ATOM 88 N ALA 12 7.354 15.288 11.211 1.00 24.46 1FSC 236 ATOM 89 CA ALA 12 6.170 15.947 10.747 1.00 23.61 1FSC 237 ATOM 90 C ALA 12 5.452 16.597 11.961 1.00 24.02 1FSC 238 ATOM 91 O ALA 12 5.306 15.995 13.024 1.00 24.26 1FSC 239 ATOM 92 CB ALA 12 5.293 14.928 10.085 1.00 20.76 1FSC 240 ATOM 93 N ILE 13 4.992 17.833 11.815 1.00 23.57 1FSC 241 ATOM 94 CA ILE 13 4.326 18.559 12.898 1.00 21.34 1FSC 242 ATOM 95 C ILE 13 3.117 19.249 12.251 1.00 21.23 1FSC 243 ATOM 96 O ILE 13 2.987 19.270 11.024 1.00 21.34 1FSC 244 ATOM 97 CB ILE 13 5.246 19.649 13.531 1.00 20.93 1FSC 245 ATOM 98 CG1 ILE 13 5.591 20.683 12.469 1.00 22.08 1FSC 246 ATOM 99 CG2 ILE 13 6.514 19.027 14.102 1.00 20.24 1FSC 247 ATOM 100 CD1 ILE 13 6.364 21.887 12.993 1.00 23.77 1FSC 248 ATOM 101 N LEU 14 2.207 19.758 13.062 1.00 20.58 1FSC 249 ATOM 102 CA LEU 14 1.098 20.509 12.540 1.00 19.77 1FSC 250 ATOM 103 C LEU 14 1.381 21.986 12.786 1.00 19.25 1FSC 251 ATOM 104 O LEU 14 1.854 22.392 13.853 1.00 18.51 1FSC 252 ATOM 105 CB LEU 14 -0.168 20.081 13.242 1.00 21.78 1FSC 253 ATOM 106 CG LEU 14 -1.450 20.320 12.459 1.00 26.93 1FSC 254 ATOM 107 CD1 LEU 14 -1.506 19.475 11.199 1.00 26.92 1FSC 255 ATOM 108 CD2 LEU 14 -2.595 19.966 13.368 1.00 29.79 1FSC 256 ATOM 109 N THR 15 1.033 22.798 11.805 1.00 18.41 1FSC 257 ATOM 110 CA THR 15 1.475 24.165 11.750 1.00 17.56 1FSC 258 ATOM 111 C THR 15 0.255 25.000 11.350 1.00 17.61 1FSC 259 ATOM 112 O THR 15 -0.532 24.587 10.496 1.00 17.13 1FSC 260 ATOM 113 CB THR 15 2.691 24.125 10.767 1.00 21.89 1FSC 261 ATOM 114 OG1 THR 15 3.685 24.996 11.269 1.00 29.42 1FSC 262 ATOM 115 CG2 THR 15 2.357 24.417 9.386 1.00 10.85 1FSC 263 ATOM 116 N ASN 16 -0.004 26.094 12.053 1.00 17.05 1FSC 264 ATOM 117 CA ASN 16 -1.082 26.956 11.616 1.00 18.79 1FSC 265 ATOM 118 C ASN 16 -0.523 27.921 10.605 1.00 18.70 1FSC 266 ATOM 119 O ASN 16 0.224 28.810 10.960 1.00 21.41 1FSC 267 ATOM 120 CB ASN 16 -1.660 27.717 12.792 1.00 19.48 1FSC 268 ATOM 121 CG ASN 16 -2.934 28.485 12.429 1.00 20.78 1FSC 269 ATOM 122 OD1 ASN 16 -3.109 28.927 11.310 1.00 22.82 1FSC 270 ATOM 123 ND2 ASN 16 -3.785 28.700 13.403 1.00 23.72 1FSC 271 ATOM 124 N CYS 17 -0.838 27.739 9.329 1.00 21.05 1FSC 272 ATOM 125 CA CYS 17 -0.213 28.588 8.307 1.00 22.27 1FSC 273 ATOM 126 C CYS 17 -0.919 29.921 8.146 1.00 23.64 1FSC 274 ATOM 127 O CYS 17 -0.450 30.784 7.393 1.00 24.30 1FSC 275 ATOM 128 CB CYS 17 -0.197 27.881 6.959 1.00 21.39 1FSC 276 ATOM 129 SG CYS 17 0.826 26.400 6.945 1.00 19.89 1FSC 277 ATOM 130 N GLY 18 -2.040 30.065 8.858 1.00 24.15 1FSC 278 ATOM 131 CA GLY 18 -2.813 31.293 8.867 1.00 26.30 1FSC 279 ATOM 132 C GLY 18 -3.453 31.500 7.522 1.00 28.53 1FSC 280 ATOM 133 O GLY 18 -4.162 30.631 6.973 1.00 26.79 1FSC 281 ATOM 134 N GLU 19 -3.089 32.624 6.935 1.00 31.34 1FSC 282 ATOM 135 CA GLU 19 -3.579 32.923 5.627 1.00 36.38 1FSC 283 ATOM 136 C GLU 19 -2.775 32.381 4.444 1.00 36.58 1FSC 284 ATOM 137 O GLU 19 -3.230 32.566 3.314 1.00 40.73 1FSC 285 ATOM 138 CB GLU 19 -3.748 34.439 5.508 1.00 39.29 1FSC 286 ATOM 139 CG GLU 19 -5.038 34.924 6.181 1.00 48.21 1FSC 287 ATOM 140 CD GLU 19 -6.300 34.170 5.704 1.00 53.72 1FSC 288 ATOM 141 OE1 GLU 19 -6.804 34.493 4.595 1.00 57.71 1FSC 289 ATOM 142 OE2 GLU 19 -6.804 33.270 6.436 1.00 57.04 1FSC 290 ATOM 143 N ASN 20 -1.630 31.713 4.634 1.00 35.02 1FSC 291 ATOM 144 CA ASN 20 -0.969 31.058 3.482 1.00 33.77 1FSC 292 ATOM 145 C ASN 20 -1.706 29.749 3.135 1.00 30.62 1FSC 293 ATOM 146 O ASN 20 -2.541 29.253 3.911 1.00 29.17 1FSC 294 ATOM 147 CB ASN 20 0.516 30.724 3.759 1.00 39.14 1FSC 295 ATOM 148 CG ASN 20 1.392 31.959 4.040 1.00 47.01 1FSC 296 ATOM 149 OD1 ASN 20 2.549 31.834 4.496 1.00 50.12 1FSC 297 ATOM 150 ND2 ASN 20 0.854 33.152 3.787 1.00 50.08 1FSC 298 ATOM 151 N SER 21 -1.422 29.209 1.952 1.00 26.84 1FSC 299 ATOM 152 CA SER 21 -1.888 27.869 1.588 1.00 25.15 1FSC 300 ATOM 153 C SER 21 -0.979 26.828 2.218 1.00 22.31 1FSC 301 ATOM 154 O SER 21 0.033 27.177 2.831 1.00 22.76 1FSC 302 ATOM 155 CB SER 21 -1.863 27.702 0.071 1.00 26.05 1FSC 303 ATOM 156 OG SER 21 -0.588 28.047 -0.409 1.00 26.75 1FSC 304 ATOM 157 N CYS 22 -1.365 25.566 2.103 1.00 21.21 1FSC 305 ATOM 158 CA CYS 22 -0.505 24.434 2.434 1.00 19.63 1FSC 306 ATOM 159 C CYS 22 0.134 23.994 1.133 1.00 19.40 1FSC 307 ATOM 160 O CYS 22 -0.461 24.169 0.071 1.00 20.93 1FSC 308 ATOM 161 CB CYS 22 -1.318 23.272 2.988 1.00 19.35 1FSC 309 ATOM 162 SG CYS 22 -2.480 23.551 4.380 1.00 23.56 1FSC 310 ATOM 163 N TYR 23 1.322 23.413 1.188 1.00 18.04 1FSC 311 ATOM 164 CA TYR 23 1.822 22.746 -0.008 1.00 18.45 1FSC 312 ATOM 165 C TYR 23 2.225 21.311 0.301 1.00 19.35 1FSC 313 ATOM 166 O TYR 23 2.466 20.923 1.467 1.00 18.71 1FSC 314 ATOM 167 CB TYR 23 3.029 23.491 -0.628 1.00 15.17 1FSC 315 ATOM 168 CG TYR 23 4.329 23.404 0.149 1.00 17.19 1FSC 316 ATOM 169 CD1 TYR 23 5.221 22.368 -0.025 1.00 17.15 1FSC 317 ATOM 170 CD2 TYR 23 4.655 24.374 1.072 1.00 15.85 1FSC 318 ATOM 171 CE1 TYR 23 6.388 22.323 0.721 1.00 13.58 1FSC 319 ATOM 172 CE2 TYR 23 5.790 24.332 1.775 1.00 17.49 1FSC 320 ATOM 173 CZ TYR 23 6.654 23.310 1.603 1.00 16.80 1FSC 321 ATOM 174 OH TYR 23 7.804 23.373 2.346 1.00 19.85 1FSC 322 ATOM 175 N ARG 24 2.292 20.524 -0.766 1.00 19.90 1FSC 323 ATOM 176 CA ARG 24 2.774 19.138 -0.716 1.00 19.29 1FSC 324 ATOM 177 C ARG 24 3.700 19.026 -1.944 1.00 20.35 1FSC 325 ATOM 178 O ARG 24 3.274 19.319 -3.080 1.00 20.56 1FSC 326 ATOM 179 CB ARG 24 1.595 18.134 -0.829 1.00 17.74 1FSC 327 ATOM 180 CG ARG 24 2.028 16.652 -0.772 1.00 21.61 1FSC 328 ATOM 181 CD ARG 24 0.951 15.639 -1.174 1.00 25.09 1FSC 329 ATOM 182 NE ARG 24 0.705 15.673 -2.612 1.00 35.04 1FSC 330 ATOM 183 CZ ARG 24 -0.482 15.439 -3.199 1.00 39.54 1FSC 331 ATOM 184 NH1 ARG 24 -1.528 15.109 -2.440 1.00 39.86 1FSC 332 ATOM 185 NH2 ARG 24 -0.643 15.561 -4.533 1.00 39.49 1FSC 333 ATOM 186 N LYS 25 4.957 18.654 -1.707 1.00 18.12 1FSC 334 ATOM 187 CA LYS 25 5.966 18.606 -2.739 1.00 19.20 1FSC 335 ATOM 188 C LYS 25 6.375 17.133 -2.916 1.00 19.14 1FSC 336 ATOM 189 O LYS 25 6.785 16.498 -1.962 1.00 17.69 1FSC 337 ATOM 190 CB LYS 25 7.118 19.504 -2.286 1.00 22.20 1FSC 338 ATOM 191 CG LYS 25 8.355 19.463 -3.124 1.00 27.65 1FSC 339 ATOM 192 CD LYS 25 9.126 20.771 -3.045 1.00 33.84 1FSC 340 ATOM 193 CE LYS 25 10.088 20.842 -1.884 1.00 39.22 1FSC 341 ATOM 194 NZ LYS 25 10.206 22.291 -1.414 1.00 44.48 1FSC 342 ATOM 195 N SER 26 6.197 16.611 -4.128 1.00 17.40 1FSC 343 ATOM 196 CA SER 26 6.268 15.191 -4.459 1.00 20.36 1FSC 344 ATOM 197 C SER 26 7.226 15.068 -5.602 1.00 22.34 1FSC 345 ATOM 198 O SER 26 7.254 15.961 -6.456 1.00 23.63 1FSC 346 ATOM 199 CB SER 26 4.962 14.659 -4.999 1.00 20.98 1FSC 347 ATOM 200 OG SER 26 4.021 14.592 -3.979 1.00 30.94 1FSC 348 ATOM 201 N ARG 27 7.903 13.935 -5.730 1.00 23.12 1FSC 349 ATOM 202 CA ARG 27 8.654 13.776 -6.943 1.00 25.34 1FSC 350 ATOM 203 C ARG 27 7.747 13.229 -8.039 1.00 26.00 1FSC 351 ATOM 204 O ARG 27 6.782 12.494 -7.774 1.00 24.88 1FSC 352 ATOM 205 CB ARG 27 9.906 12.876 -6.749 1.00 26.48 1FSC 353 ATOM 206 CG ARG 27 9.880 11.727 -5.822 1.00 28.07 1FSC 354 ATOM 207 CD ARG 27 11.259 11.038 -5.765 1.00 27.21 1FSC 355 ATOM 208 NE ARG 27 11.497 10.190 -6.946 1.00 25.98 1FSC 356 ATOM 209 CZ ARG 27 12.654 10.110 -7.585 1.00 24.61 1FSC 357 ATOM 210 NH1 ARG 27 13.682 10.828 -7.170 1.00 22.87 1FSC 358 ATOM 211 NH2 ARG 27 12.785 9.316 -8.630 1.00 25.53 1FSC 359 ATOM 212 N ARG 28 8.003 13.700 -9.259 1.00 26.44 1FSC 360 ATOM 213 CA ARG 28 7.254 13.282 -10.426 1.00 28.40 1FSC 361 ATOM 214 C ARG 28 7.711 11.950 -10.952 1.00 29.85 1FSC 362 ATOM 215 O ARG 28 6.928 11.255 -11.578 1.00 30.89 1FSC 363 ATOM 216 CB ARG 28 7.406 14.281 -11.539 1.00 30.92 1FSC 364 ATOM 217 CG ARG 28 6.881 15.609 -11.191 1.00 35.00 1FSC 365 ATOM 218 CD ARG 28 6.012 16.053 -12.281 1.00 39.94 1FSC 366 ATOM 219 NE ARG 28 6.722 16.957 -13.151 1.00 44.88 1FSC 367 ATOM 220 CZ ARG 28 6.218 17.416 -14.291 1.00 48.71 1FSC 368 ATOM 221 NH1 ARG 28 5.022 16.995 -14.723 1.00 50.83 1FSC 369 ATOM 222 NH2 ARG 28 6.870 18.357 -14.960 1.00 48.51 1FSC 370 ATOM 223 N HIS 29 8.995 11.630 -10.789 1.00 30.45 1FSC 371 ATOM 224 CA HIS 29 9.533 10.413 -11.385 1.00 29.27 1FSC 372 ATOM 225 C HIS 29 9.421 9.358 -10.342 1.00 30.09 1FSC 373 ATOM 226 O HIS 29 9.688 9.601 -9.175 1.00 30.54 1FSC 374 ATOM 227 CB HIS 29 11.004 10.552 -11.750 1.00 31.05 1FSC 375 ATOM 228 CG HIS 29 11.309 11.746 -12.591 1.00 33.89 1FSC 376 ATOM 229 ND1 HIS 29 10.595 12.064 -13.726 1.00 35.15 1FSC 377 ATOM 230 CD2 HIS 29 12.237 12.726 -12.440 1.00 35.13 1FSC 378 ATOM 231 CE1 HIS 29 11.061 13.190 -14.235 1.00 34.55 1FSC 379 ATOM 232 NE2 HIS 29 12.056 13.610 -13.476 1.00 37.11 1FSC 380 ATOM 233 N PRO 30 9.073 8.142 -10.745 1.00 30.64 1FSC 381 ATOM 234 CA PRO 30 9.126 7.017 -9.829 1.00 30.63 1FSC 382 ATOM 235 C PRO 30 10.502 6.849 -9.162 1.00 30.77 1FSC 383 ATOM 236 O PRO 30 11.551 7.069 -9.769 1.00 31.47 1FSC 384 ATOM 237 CB PRO 30 8.725 5.845 -10.710 1.00 31.22 1FSC 385 ATOM 238 CG PRO 30 7.897 6.460 -11.745 1.00 32.36 1FSC 386 ATOM 239 CD PRO 30 8.608 7.718 -12.071 1.00 32.09 1FSC 387 ATOM 240 N PRO 31 10.516 6.432 -7.904 1.00 30.56 1 1FSC 388 ATOM 241 CA PRO 31 9.369 6.173 -7.044 1.00 32.34 1 1FSC 389 ATOM 242 C PRO 31 8.736 7.472 -6.517 1.00 35.11 1 1FSC 390 ATOM 243 O PRO 31 9.431 8.364 -6.051 1.00 34.61 1 1FSC 391 ATOM 244 CB PRO 31 9.970 5.300 -5.971 1.00 32.19 1 1FSC 392 ATOM 245 CG PRO 31 11.341 5.876 -5.814 1.00 30.51 1 1FSC 393 ATOM 246 CD PRO 31 11.775 6.105 -7.222 1.00 31.93 1 1FSC 394 ATOM 247 N LYS 32 7.427 7.621 -6.640 1.00 37.97 1FSC 395 ATOM 248 CA LYS 32 6.859 8.929 -6.382 1.00 41.06 1FSC 396 ATOM 249 C LYS 32 6.580 8.961 -4.901 1.00 41.59 1FSC 397 ATOM 250 O LYS 32 5.922 8.054 -4.348 1.00 44.20 1FSC 398 ATOM 251 CB LYS 32 5.560 9.148 -7.172 1.00 43.90 1FSC 399 ATOM 252 CG LYS 32 5.752 9.345 -8.665 1.00 45.50 1FSC 400 ATOM 253 CD LYS 32 4.388 9.615 -9.283 1.00 49.74 1FSC 401 ATOM 254 CE LYS 32 4.320 9.346 -10.795 1.00 53.22 1FSC 402 ATOM 255 NZ LYS 32 2.909 9.444 -11.345 1.00 54.86 1FSC 403 ATOM 256 N MET 33 7.159 9.967 -4.261 1.00 38.58 1FSC 404 ATOM 257 CA MET 33 7.069 10.139 -2.825 1.00 35.91 1FSC 405 ATOM 258 C MET 33 7.034 11.632 -2.493 1.00 31.94 1FSC 406 ATOM 259 O MET 33 7.530 12.461 -3.265 1.00 27.44 1FSC 407 ATOM 260 CB MET 33 8.268 9.474 -2.155 1.00 37.69 1FSC 408 ATOM 261 CG MET 33 9.575 10.167 -2.439 1.00 40.39 1FSC 409 ATOM 262 SD MET 33 10.858 9.192 -1.715 0.50 42.57 1FSC 410 ATOM 263 CE MET 33 10.356 7.462 -2.163 0.50 39.81 1FSC 411 ATOM 264 N VAL 34 6.412 11.948 -1.358 1.00 30.66 1FSC 412 ATOM 265 CA VAL 34 6.323 13.301 -0.854 1.00 28.75 1FSC 413 ATOM 266 C VAL 34 7.641 13.696 -0.172 1.00 28.48 1FSC 414 ATOM 267 O VAL 34 8.007 13.126 0.858 1.00 31.86 1FSC 415 ATOM 268 CB VAL 34 5.131 13.413 0.148 1.00 27.95 1FSC 416 ATOM 269 CG1 VAL 34 4.954 14.862 0.624 1.00 22.93 1FSC 417 ATOM 270 CG2 VAL 34 3.881 12.960 -0.534 1.00 27.63 1FSC 418 ATOM 271 N LEU 35 8.342 14.691 -0.707 1.00 25.45 1FSC 419 ATOM 272 CA LEU 35 9.564 15.149 -0.087 1.00 22.53 1FSC 420 ATOM 273 C LEU 35 9.401 16.218 0.962 1.00 22.97 1FSC 421 ATOM 274 O LEU 35 10.325 16.458 1.725 1.00 23.74 1FSC 422 ATOM 275 CB LEU 35 10.510 15.677 -1.135 1.00 23.58 1FSC 423 ATOM 276 CG LEU 35 10.764 14.642 -2.229 1.00 25.11 1FSC 424 ATOM 277 CD1 LEU 35 11.412 15.387 -3.379 1.00 25.23 1FSC 425 ATOM 278 CD2 LEU 35 11.594 13.458 -1.706 1.00 24.30 1FSC 426 ATOM 279 N GLY 36 8.280 16.921 0.965 1.00 21.76 1FSC 427 ATOM 280 CA GLY 36 8.137 18.030 1.891 1.00 21.20 1FSC 428 ATOM 281 C GLY 36 6.715 18.555 1.921 1.00 21.38 1FSC 429 ATOM 282 O GLY 36 5.991 18.425 0.919 1.00 21.76 1FSC 430 ATOM 283 N ARG 37 6.333 19.166 3.044 1.00 18.67 1FSC 431 ATOM 284 CA ARG 37 4.992 19.709 3.282 1.00 17.59 1FSC 432 ATOM 285 C ARG 37 5.207 20.976 4.093 1.00 16.36 1FSC 433 ATOM 286 O ARG 37 6.156 21.049 4.851 1.00 17.11 1FSC 434 ATOM 287 CB ARG 37 4.151 18.701 4.079 1.00 14.02 1FSC 435 ATOM 288 CG ARG 37 3.691 17.461 3.279 1.00 16.75 1FSC 436 ATOM 289 CD ARG 37 2.704 16.595 4.078 1.00 19.35 1FSC 437 ATOM 290 NE ARG 37 2.101 15.507 3.302 1.00 19.11 1FSC 438 ATOM 291 CZ ARG 37 2.585 14.265 3.236 1.00 19.20 1FSC 439 ATOM 292 NH1 ARG 37 3.713 13.931 3.848 1.00 16.64 1FSC 440 ATOM 293 NH2 ARG 37 1.935 13.346 2.525 1.00 21.04 1FSC 441 ATOM 294 N GLY 38 4.370 21.986 3.947 1.00 17.44 1FSC 442 ATOM 295 CA GLY 38 4.525 23.164 4.800 1.00 16.12 1FSC 443 ATOM 296 C GLY 38 3.522 24.226 4.434 1.00 16.41 1FSC 444 ATOM 297 O GLY 38 2.536 23.939 3.727 1.00 15.07 1FSC 445 ATOM 298 N CYS 39 3.848 25.466 4.804 1.00 17.29 1FSC 446 ATOM 299 CA CYS 39 3.053 26.672 4.489 1.00 18.82 1FSC 447 ATOM 300 C CYS 39 3.552 27.360 3.211 1.00 20.26 1FSC 448 ATOM 301 O CYS 39 4.763 27.504 2.996 1.00 21.02 1FSC 449 ATOM 302 CB CYS 39 3.147 27.699 5.612 1.00 19.24 1FSC 450 ATOM 303 SG CYS 39 2.677 27.084 7.233 1.00 19.19 1FSC 451 ATOM 304 N GLY 40 2.636 27.814 2.372 1.00 20.83 1FSC 452 ATOM 305 CA GLY 40 3.062 28.532 1.187 1.00 21.05 1FSC 453 ATOM 306 C GLY 40 2.809 27.704 -0.041 1.00 20.35 1FSC 454 ATOM 307 O GLY 40 2.018 26.773 -0.037 1.00 21.05 1FSC 455 ATOM 308 N CYS 41 3.472 28.055 -1.114 1.00 20.65 1FSC 456 ATOM 309 CA CYS 41 3.175 27.428 -2.376 1.00 21.19 1FSC 457 ATOM 310 C CYS 41 4.371 27.592 -3.297 1.00 23.31 1FSC 458 ATOM 311 O CYS 41 4.337 28.378 -4.268 1.00 25.42 1FSC 459 ATOM 312 CB CYS 41 1.947 28.069 -2.997 1.00 20.95 1FSC 460 ATOM 313 SG CYS 41 1.534 27.260 -4.566 1.00 23.36 1FSC 461 ATOM 314 N PRO 42 5.460 26.855 -3.000 1.00 23.18 1FSC 462 ATOM 315 CA PRO 42 6.705 26.985 -3.756 1.00 24.02 1FSC 463 ATOM 316 C PRO 42 6.540 26.383 -5.167 1.00 24.84 1FSC 464 ATOM 317 O PRO 42 5.670 25.538 -5.397 1.00 25.35 1FSC 465 ATOM 318 CB PRO 42 7.726 26.245 -2.889 1.00 23.35 1FSC 466 ATOM 319 CG PRO 42 6.908 25.180 -2.190 1.00 21.23 1FSC 467 ATOM 320 CD PRO 42 5.562 25.825 -1.945 1.00 22.14 1FSC 468 ATOM 321 N PRO 43 7.398 26.791 -6.121 1.00 25.91 1FSC 469 ATOM 322 CA PRO 43 7.330 26.300 -7.507 1.00 25.67 1FSC 470 ATOM 323 C PRO 43 7.816 24.861 -7.750 1.00 23.96 1FSC 471 ATOM 324 O PRO 43 8.865 24.447 -7.223 1.00 22.78 1FSC 472 ATOM 325 CB PRO 43 8.130 27.361 -8.281 1.00 25.64 1FSC 473 ATOM 326 CG PRO 43 9.168 27.774 -7.277 1.00 25.46 1FSC 474 ATOM 327 CD PRO 43 8.363 27.892 -5.997 1.00 24.60 1FSC 475 ATOM 328 N GLY 44 7.048 24.115 -8.535 1.00 21.57 1FSC 476 ATOM 329 CA GLY 44 7.483 22.804 -8.971 1.00 23.25 1FSC 477 ATOM 330 C GLY 44 8.350 22.947 -10.221 1.00 26.16 1FSC 478 ATOM 331 O GLY 44 8.626 24.052 -10.705 1.00 25.79 1FSC 479 ATOM 332 N ASP 45 8.807 21.837 -10.768 1.00 26.01 1FSC 480 ATOM 333 CA ASP 45 9.588 21.918 -11.974 1.00 27.91 1FSC 481 ATOM 334 C ASP 45 9.474 20.563 -12.604 1.00 29.38 1FSC 482 ATOM 335 O ASP 45 8.539 19.826 -12.310 1.00 32.04 1FSC 483 ATOM 336 CB ASP 45 11.063 22.284 -11.679 1.00 26.73 1FSC 484 ATOM 337 CG ASP 45 11.764 21.354 -10.664 1.00 29.32 1FSC 485 ATOM 338 OD1 ASP 45 11.500 20.129 -10.581 1.00 27.64 1FSC 486 ATOM 339 OD2 ASP 45 12.611 21.865 -9.908 1.00 30.02 1FSC 487 ATOM 340 N ASP 46 10.431 20.220 -13.447 1.00 30.21 1FSC 488 ATOM 341 CA ASP 46 10.446 18.921 -14.104 1.00 32.62 1FSC 489 ATOM 342 C ASP 46 10.478 17.660 -13.207 1.00 33.48 1FSC 490 ATOM 343 O ASP 46 9.992 16.589 -13.619 1.00 35.05 1FSC 491 ATOM 344 CB ASP 46 11.635 18.907 -15.067 1.00 35.28 1FSC 492 ATOM 345 CG ASP 46 11.620 20.110 -15.973 0.50 35.78 1FSC 493 ATOM 346 OD1 ASP 46 10.833 20.069 -16.948 0.50 32.75 1FSC 494 ATOM 347 OD2 ASP 46 12.329 21.099 -15.645 0.50 36.47 1FSC 495 ATOM 348 N ASN 47 11.052 17.764 -12.009 1.00 31.91 1FSC 496 ATOM 349 CA ASN 47 11.221 16.589 -11.153 1.00 30.74 1FSC 497 ATOM 350 C ASN 47 10.244 16.609 -9.996 1.00 28.37 1FSC 498 ATOM 351 O ASN 47 9.914 15.569 -9.439 1.00 25.82 1FSC 499 ATOM 352 CB ASN 47 12.655 16.551 -10.637 1.00 30.54 1FSC 500 ATOM 353 CG ASN 47 13.667 16.511 -11.775 1.00 32.84 1FSC 501 ATOM 354 OD1 ASN 47 13.626 15.624 -12.645 1.00 31.04 1FSC 502 ATOM 355 ND2 ASN 47 14.538 17.518 -11.816 1.00 31.62 1FSC 503 ATOM 356 N LEU 48 9.735 17.804 -9.705 1.00 27.37 1FSC 504 ATOM 357 CA LEU 48 8.938 18.075 -8.501 1.00 27.29 1FSC 505 ATOM 358 C LEU 48 7.554 18.598 -8.858 1.00 24.35 1FSC 506 ATOM 359 O LEU 48 7.437 19.604 -9.555 1.00 24.98 1FSC 507 ATOM 360 CB LEU 48 9.635 19.127 -7.615 1.00 30.67 1FSC 508 ATOM 361 CG LEU 48 10.650 18.752 -6.501 1.00 35.17 1FSC 509 ATOM 362 CD1 LEU 48 11.022 17.267 -6.579 1.00 36.12 1FSC 510 ATOM 363 CD2 LEU 48 11.910 19.647 -6.655 1.00 37.91 1FSC 511 ATOM 364 N GLU 49 6.521 17.933 -8.358 1.00 23.58 1FSC 512 ATOM 365 CA GLU 49 5.161 18.472 -8.356 1.00 23.16 1FSC 513 ATOM 366 C GLU 49 4.858 19.168 -7.016 1.00 20.49 1FSC 514 ATOM 367 O GLU 49 5.109 18.609 -5.957 1.00 18.85 1FSC 515 ATOM 368 CB GLU 49 4.130 17.342 -8.595 1.00 25.65 1FSC 516 ATOM 369 CG GLU 49 2.699 17.849 -8.465 1.00 33.96 1FSC 517 ATOM 370 CD GLU 49 1.580 16.788 -8.446 1.00 39.54 1FSC 518 ATOM 371 OE1 GLU 49 1.268 16.170 -7.376 1.00 44.46 1FSC 519 ATOM 372 OE2 GLU 49 0.946 16.654 -9.509 1.00 42.92 1FSC 520 ATOM 373 N VAL 50 4.293 20.364 -7.058 1.00 18.96 1FSC 521 ATOM 374 CA VAL 50 3.912 21.074 -5.832 1.00 16.77 1FSC 522 ATOM 375 C VAL 50 2.429 21.382 -5.895 1.00 18.67 1FSC 523 ATOM 376 O VAL 50 1.985 22.221 -6.691 1.00 18.50 1FSC 524 ATOM 377 CB VAL 50 4.697 22.411 -5.662 1.00 16.95 1FSC 525 ATOM 378 CG1 VAL 50 4.192 23.154 -4.433 1.00 17.31 1FSC 526 ATOM 379 CG2 VAL 50 6.195 22.116 -5.536 1.00 15.12 1FSC 527 ATOM 380 N LYS 51 1.658 20.661 -5.082 1.00 18.31 1FSC 528 ATOM 381 CA LYS 51 0.228 20.900 -4.921 1.00 18.06 1FSC 529 ATOM 382 C LYS 51 0.035 21.976 -3.870 1.00 20.26 1FSC 530 ATOM 383 O LYS 51 0.671 21.906 -2.818 1.00 19.32 1FSC 531 ATOM 384 CB LYS 51 -0.478 19.644 -4.439 1.00 18.01 1FSC 532 ATOM 385 CG LYS 51 -1.910 19.907 -4.078 1.00 20.28 1FSC 533 ATOM 386 CD LYS 51 -2.293 19.020 -2.962 1.00 26.13 1FSC 534 ATOM 387 CE LYS 51 -3.801 18.928 -2.841 1.00 30.44 1FSC 535 ATOM 388 NZ LYS 51 -4.181 17.748 -1.986 1.00 32.74 1FSC 536 ATOM 389 N CYS 52 -0.830 22.953 -4.125 1.00 19.55 1FSC 537 ATOM 390 CA CYS 52 -1.077 24.000 -3.138 1.00 21.44 1FSC 538 ATOM 391 C CYS 52 -2.540 24.012 -2.839 1.00 22.11 1FSC 539 ATOM 392 O CYS 52 -3.334 23.922 -3.758 1.00 26.12 1FSC 540 ATOM 393 CB CYS 52 -0.657 25.353 -3.679 1.00 20.56 1FSC 541 ATOM 394 SG CYS 52 1.117 25.360 -4.031 1.00 20.57 1FSC 542 ATOM 395 N CYS 53 -2.918 24.094 -1.571 1.00 22.87 1FSC 543 ATOM 396 CA CYS 53 -4.335 24.094 -1.195 1.00 23.50 1FSC 544 ATOM 397 C CYS 53 -4.643 24.981 0.017 1.00 25.89 1FSC 545 ATOM 398 O CYS 53 -3.765 25.272 0.833 1.00 24.68 1FSC 546 ATOM 399 CB CYS 53 -4.796 22.678 -0.892 1.00 21.41 1FSC 547 ATOM 400 SG CYS 53 -3.858 21.821 0.411 1.00 23.44 1FSC 548 ATOM 401 N THR 54 -5.893 25.419 0.140 1.00 27.96 1FSC 549 ATOM 402 CA THR 54 -6.250 26.301 1.224 1.00 28.96 1FSC 550 ATOM 403 C THR 54 -7.350 25.743 2.078 1.00 31.70 1FSC 551 ATOM 404 O THR 54 -7.678 26.326 3.109 1.00 33.74 1FSC 552 ATOM 405 CB THR 54 -6.736 27.620 0.721 1.00 30.21 1FSC 553 ATOM 406 OG1 THR 54 -7.784 27.391 -0.231 1.00 32.34 1FSC 554 ATOM 407 CG2 THR 54 -5.602 28.393 0.097 1.00 30.87 1FSC 555 ATOM 408 N SER 55 -7.962 24.658 1.633 1.00 33.10 1FSC 556 ATOM 409 CA SER 55 -9.028 24.032 2.399 1.00 35.44 1FSC 557 ATOM 410 C SER 55 -9.132 22.610 1.893 1.00 34.93 1FSC 558 ATOM 411 O SER 55 -8.772 22.357 0.749 1.00 36.01 1FSC 559 ATOM 412 CB SER 55 -10.363 24.757 2.177 1.00 36.20 1FSC 560 ATOM 413 OG SER 55 -10.391 25.403 0.917 1.00 42.21 1FSC 561 ATOM 414 N PRO 56 -9.595 21.664 2.744 1.00 34.66 2 1FSC 562 ATOM 415 CA PRO 56 -9.854 21.810 4.191 1.00 34.75 2 1FSC 563 ATOM 416 C PRO 56 -8.563 21.970 4.995 1.00 33.96 2 1FSC 564 ATOM 417 O PRO 56 -7.491 22.107 4.426 1.00 33.20 2 1FSC 565 ATOM 418 CB PRO 56 -10.597 20.534 4.552 1.00 34.28 2 1FSC 566 ATOM 419 CG PRO 56 -9.962 19.526 3.638 1.00 34.48 2 1FSC 567 ATOM 420 CD PRO 56 -9.837 20.277 2.314 1.00 34.09 2 1FSC 568 ATOM 421 N ASP 57 -8.652 21.854 6.311 1.00 33.65 1FSC 569 ATOM 422 CA ASP 57 -7.434 21.796 7.111 1.00 32.21 1FSC 570 ATOM 423 C ASP 57 -6.749 20.488 6.820 1.00 29.66 1FSC 571 ATOM 424 O ASP 57 -7.398 19.520 6.519 1.00 28.32 1FSC 572 ATOM 425 CB ASP 57 -7.748 21.888 8.604 1.00 33.04 1FSC 573 ATOM 426 CG ASP 57 -8.016 23.333 9.066 1.00 35.72 1FSC 574 ATOM 427 OD1 ASP 57 -7.508 24.336 8.511 1.00 34.01 1FSC 575 ATOM 428 OD2 ASP 57 -8.790 23.470 10.023 1.00 42.88 1FSC 576 ATOM 429 N LYS 58 -5.425 20.525 6.797 1.00 29.10 1FSC 577 ATOM 430 CA LYS 58 -4.598 19.361 6.574 1.00 27.99 1FSC 578 ATOM 431 C LYS 58 -4.822 18.892 5.161 1.00 26.30 1FSC 579 ATOM 432 O LYS 58 -4.695 17.717 4.873 1.00 25.32 1FSC 580 ATOM 433 CB LYS 58 -4.962 18.235 7.538 1.00 31.42 1FSC 581 ATOM 434 CG LYS 58 -4.868 18.570 9.014 1.00 35.94 1FSC 582 ATOM 435 CD LYS 58 -5.523 17.439 9.814 1.00 41.95 1FSC 583 ATOM 436 CE LYS 58 -5.712 17.736 11.310 1.00 46.48 1FSC 584 ATOM 437 NZ LYS 58 -7.115 17.546 11.830 1.00 50.38 1FSC 585 ATOM 438 N CYS 59 -5.116 19.820 4.262 1.00 25.14 1FSC 586 ATOM 439 CA CYS 59 -5.394 19.439 2.903 1.00 23.52 1FSC 587 ATOM 440 C CYS 59 -4.166 18.942 2.175 1.00 24.63 1FSC 588 ATOM 441 O CYS 59 -4.344 18.356 1.118 1.00 25.34 1FSC 589 ATOM 442 CB CYS 59 -5.976 20.599 2.129 1.00 19.90 1FSC 590 ATOM 443 SG CYS 59 -5.003 22.132 2.053 1.00 21.94 1FSC 591 ATOM 444 N ASN 60 -2.947 19.169 2.702 1.00 23.12 1FSC 592 ATOM 445 CA ASN 60 -1.716 18.908 1.950 1.00 21.50 1FSC 593 ATOM 446 C ASN 60 -1.205 17.549 2.311 1.00 24.36 1FSC 594 ATOM 447 O ASN 60 -0.025 17.213 2.138 1.00 23.05 1FSC 595 ATOM 448 CB ASN 60 -0.636 19.950 2.249 1.00 19.72 1FSC 596 ATOM 449 CG ASN 60 -0.201 19.992 3.715 1.00 20.84 1FSC 597 ATOM 450 OD1 ASN 60 -0.945 19.614 4.640 1.00 20.90 1FSC 598 ATOM 451 ND2 ASN 60 0.992 20.531 3.942 1.00 20.10 1FSC 599 ATOM 452 N TYR 61 -2.117 16.749 2.828 1.00 26.78 1FSC 600 ATOM 453 CA TYR 61 -1.820 15.380 3.059 1.00 32.19 1FSC 601 ATOM 454 C TYR 61 -1.484 14.666 1.733 1.00 33.94 1FSC 602 ATOM 455 O TYR 61 -2.100 14.967 0.692 1.00 35.78 1FSC 603 ATOM 456 CB TYR 61 -3.012 14.737 3.737 1.00 40.45 1FSC 604 ATOM 457 CG TYR 61 -2.596 13.385 4.172 1.00 49.04 1FSC 605 ATOM 458 CD1 TYR 61 -1.598 13.248 5.139 1.00 52.57 1FSC 606 ATOM 459 CD2 TYR 61 -3.083 12.246 3.538 1.00 51.79 1FSC 607 ATOM 460 CE1 TYR 61 -1.084 12.026 5.457 1.00 56.02 1FSC 608 ATOM 461 CE2 TYR 61 -2.573 11.007 3.848 1.00 55.87 1FSC 609 ATOM 462 CZ TYR 61 -1.572 10.910 4.808 1.00 57.35 1FSC 610 ATOM 463 OH TYR 61 -1.043 9.684 5.123 1.00 62.13 1FSC 611 ATOM 464 OXT TYR 61 -0.557 13.835 1.698 1.00 34.52 1FSC 612 TER 465 TYR 61 1FSC 613 HETATM 466 O O 156 1.804 13.633 6.770 1.00 47.57 1FSC 614 HETATM 467 O O 157 2.161 12.913 8.226 1.00 58.96 1FSC 615 HETATM 468 O HOH 101 2.957 28.404 10.859 1.00 15.01 1FSC 616 HETATM 469 O HOH 102 13.078 11.413 9.337 1.00 27.23 1FSC 617 HETATM 470 O HOH 103 -5.094 22.039 -4.661 1.00 25.70 1FSC 618 HETATM 471 O HOH 104 2.212 30.935 6.942 1.00 23.57 1FSC 619 HETATM 472 O HOH 105 8.482 21.816 9.671 1.00 45.11 1FSC 620 HETATM 473 O HOH 106 8.461 22.605 5.835 1.00 37.02 1FSC 621 HETATM 474 O HOH 107 -7.704 24.426 -1.961 1.00 42.82 1FSC 622 HETATM 475 O HOH 108 2.563 16.855 -4.623 1.00 23.72 1FSC 623 HETATM 476 O HOH 109 12.699 7.487 -11.940 1.00 33.05 1FSC 624 HETATM 477 O HOH 110 5.626 30.218 -0.772 1.00 44.03 1FSC 625 HETATM 478 O HOH 111 11.583 19.397 1.441 1.00 42.87 1FSC 626 HETATM 479 O HOH 112 14.858 19.671 2.834 1.00 42.94 1FSC 627 HETATM 480 O HOH 113 3.696 18.356 -12.136 1.00 30.08 1FSC 628 HETATM 481 O HOH 114 5.674 20.429 -11.779 1.00 18.94 1FSC 629 HETATM 482 O HOH 115 -3.837 14.677 -4.958 1.00 49.09 1FSC 630 HETATM 483 O HOH 116 3.841 11.333 2.976 1.00 50.19 1FSC 631 HETATM 484 O HOH 117 9.062 19.658 11.001 1.00 38.61 1FSC 632 HETATM 485 O HOH 118 7.322 28.366 0.973 1.00 46.14 1FSC 633 HETATM 486 O HOH 119 14.340 19.410 -9.445 1.00 47.32 1FSC 634 HETATM 487 O HOH 120 -6.799 25.103 14.640 1.00 61.90 1FSC 635 HETATM 488 O HOH 121 4.135 13.921 -8.170 1.00 40.66 1FSC 636 HETATM 489 O HOH 122 -0.997 12.159 -0.539 1.00 69.24 1FSC 637 HETATM 490 O HOH 123 9.899 25.539 -12.610 1.00 40.68 1FSC 638 HETATM 491 O HOH 124 -7.805 19.951 -1.422 1.00 54.27 1FSC 639 HETATM 492 O HOH 125 -5.962 30.455 12.872 1.00 42.81 1FSC 640 HETATM 493 O HOH 126 8.661 25.714 3.556 1.00 56.85 1FSC 641 HETATM 494 O HOH 127 16.248 17.840 10.086 1.00 51.44 1FSC 642 HETATM 495 O HOH 128 -7.651 22.303 -3.839 1.00 55.75 1FSC 643 HETATM 496 O HOH 129 6.302 19.408 -17.282 1.00 55.94 1FSC 644 HETATM 497 O HOH 130 10.610 23.936 -5.228 1.00 44.30 1FSC 645 HETATM 498 O HOH 131 2.169 12.181 -4.687 1.00 74.08 1FSC 646 HETATM 499 O HOH 132 13.146 16.998 13.444 1.00 55.78 1FSC 647 HETATM 500 O HOH 133 -5.535 28.473 9.860 1.00 46.56 1FSC 648 HETATM 501 O HOH 134 3.514 5.883 -10.347 1.00 57.03 1FSC 649 HETATM 502 O HOH 135 7.726 30.552 -9.943 1.00 55.92 1FSC 650 HETATM 503 O HOH 136 8.891 15.221 -15.845 1.00 54.62 1FSC 651 HETATM 504 O HOH 137 11.419 27.178 -10.874 1.00 61.33 1FSC 652 HETATM 505 O HOH 138 6.776 15.738 15.946 1.00 69.41 1FSC 653 HETATM 506 O HOH 139 11.511 24.525 -8.214 1.00 60.15 1FSC 654 HETATM 507 O HOH 140 4.714 9.983 0.271 1.00 71.56 1FSC 655 HETATM 508 O HOH 141 8.158 12.534 -14.830 1.00 62.01 1FSC 656 HETATM 509 O HOH 142 -7.236 29.239 6.383 1.00 72.98 1FSC 657 HETATM 510 O HOH 143 11.786 24.300 -14.377 1.00 55.35 1FSC 658 HETATM 511 O HOH 144 10.151 29.507 -10.492 1.00 59.05 1FSC 659 HETATM 512 O HOH 145 1.680 31.432 -0.978 1.00 67.44 1FSC 660 HETATM 513 O HOH 146 5.399 24.917 7.854 1.00 48.43 1FSC 661 HETATM 514 O HOH 147 6.723 25.626 5.785 1.00 43.51 1FSC 662 HETATM 515 O HOH 148 13.033 10.622 -3.027 1.00 43.77 1FSC 663 HETATM 516 O HOH 149 3.729 30.954 -4.857 1.00 56.24 1FSC 664 HETATM 517 O HOH 150 8.163 9.219 -15.221 1.00 55.41 1FSC 665 HETATM 518 O HOH 151 -0.746 36.498 2.994 1.00 68.43 1FSC 666 HETATM 519 O HOH 152 -6.551 26.343 -3.644 1.00 62.12 1FSC 667 HETATM 520 O HOH 153 14.470 23.633 -11.147 1.00 82.21 1FSC 668 HETATM 521 O HOH 154 1.766 9.095 -0.598 1.00 73.82 1FSC 669 HETATM 522 O HOH 155 9.651 21.421 2.761 1.00 63.80 1FSC 670 CONECT 21 20 162 1FSC 671 CONECT 129 128 303 1FSC 672 CONECT 162 21 161 1FSC 673 CONECT 303 129 302 1FSC 674 CONECT 313 312 394 1FSC 675 CONECT 394 313 393 1FSC 676 CONECT 400 399 443 1FSC 677 CONECT 443 400 442 1FSC 678 MASTER 102 4 2 0 5 4 0 6 521 1 8 5 1FSC 679 END 1FSC 680