HEADER HYDROLASE(ACID PROTEASE) 08-JUL-94 2SAM 2SAM 2 COMPND SIMIAN IMMUNODEFICIENCY VIRUS (SIV) PROTEASE MUTANT WITH 2SAM 3 COMPND 2 SER 4 REPLACED BY HIS (S4H) 2SAM 4 SOURCE SIV FROM MACAQUE MONKEYS RECOMBINANT FORM SIV=MAC=239 2SAM 5 SOURCE 2 FROM PLASMID SOD/SIV EXPRESSED IN (ESCHERICHIA COLI) 2SAM 6 AUTHOR R.B.ROSE,J.R.ROSE,R.SALTO,C.S.CRAIK,R.M.STROUD 2SAM 7 REVDAT 1 15-OCT-94 2SAM 0 2SAM 8 REMARK 1 2SAM 9 REMARK 1 REFERENCE 1 2SAM 10 REMARK 1 AUTH R.B.ROSE,J.R.ROSE,R.SALTO,C.CRAIK,R.M.STROUD 2SAM 11 REMARK 1 TITL STRUCTURE OF THE PROTEASE FROM SIMIAN 2SAM 12 REMARK 1 TITL 2 IMMUNODEFICIENCY VIRUS: COMPLEX WITH AN 2SAM 13 REMARK 1 TITL 3 IRREVERSIBLE NON-PEPTIDE INHIBITOR 2SAM 14 REMARK 1 REF BIOCHEMISTRY V. 32 12498 1993 2SAM 15 REMARK 1 REFN ASTM BICHAW US ISSN 0006-2960 0033 2SAM 16 REMARK 2 2SAM 17 REMARK 2 RESOLUTION. 2.4 ANGSTROMS. 2SAM 18 REMARK 3 2SAM 19 REMARK 3 REFINEMENT. 2SAM 20 REMARK 3 PROGRAM X-PLOR 2SAM 21 REMARK 3 AUTHORS BRUNGER 2SAM 22 REMARK 3 R VALUE 0.19 2SAM 23 REMARK 3 RMSD BOND DISTANCES 0.014 ANGSTROMS 2SAM 24 REMARK 3 RMSD BOND ANGLES 3.2 DEGREES 2SAM 25 REMARK 3 2SAM 26 REMARK 3 NUMBER OF REFLECTIONS 21880 2SAM 27 REMARK 3 RESOLUTION RANGE 40. - 2.4 ANGSTROMS 2SAM 28 REMARK 3 DATA CUTOFF 1.0 SIGMA(F) 2SAM 29 REMARK 3 PERCENT COMPLETION 92. 2SAM 30 REMARK 3 2SAM 31 REMARK 3 NUMBER OF PROTEIN ATOMS 742 2SAM 32 REMARK 3 NUMBER OF SOLVENT ATOMS 24 2SAM 33 REMARK 4 2SAM 34 REMARK 4 FOUR SIDE CHAINS ARE NOT SEEN IN THE ELECTRON DENSITY: 2SAM 35 REMARK 4 LYS 7, GLU 37, ARG 70, LYS 72. THESE RESIDUES ARE ON THE 2SAM 36 REMARK 4 SURFACE OF THE PROTEIN AND ARE PRESUMABLY DISORDERED. 2SAM 37 REMARK 5 2SAM 38 REMARK 5 THE HIV-1 PROTEASE IS A DIMER. IN THE CRYSTAL THE TWO 2SAM 39 REMARK 5 MONOMERS ARE RELATED BY A CRYSTALLOGRAPHIC TWO-FOLD AXIS. 2SAM 40 REMARK 5 TO GENERATE THE SYMMETRY RELATED MONOMER, THE FOLLOWING 2SAM 41 REMARK 5 TRANSFORMATION MUST BE APPLIED TO THE COORDINATES 2SAM 42 REMARK 5 PRESENTED IN THIS ENTRY 2SAM 43 REMARK 5 2SAM 44 REMARK 5 MTRIX1 1 1.000000 0.000000 0.000000 0.000000 2SAM 45 REMARK 5 MTRIX2 1 0.000000 -1.000000 0.000000 0.000000 2SAM 46 REMARK 5 MTRIX3 1 0.000000 0.000000 -1.000000 0.000000 2SAM 47 REMARK 6 2SAM 48 REMARK 6 THE DIMER INTERFACE IS COMPOSED OF INTERDIGITATED N- AND 2SAM 49 REMARK 6 C-TERMINI FROM BOTH SUBUNITS FORMING A FOUR-STRANDED 2SAM 50 REMARK 6 ANTIPARALLEL BETA-SHEET. BECAUSE OF LIMITATIONS IMPOSED 2SAM 51 REMARK 6 BY THE PROTEIN DATA BANK FORMAT IT IS NOT POSSIBLE TO 2SAM 52 REMARK 6 PRESENT THIS SHEET ON SHEET RECORDS. INSTEAD THIS SHEET 2SAM 53 REMARK 6 IS SPECIFIED IN THIS REMARK. STRANDS 1 AND 3 ARE FROM THE 2SAM 54 REMARK 6 MOLECULE IN THIS ENTRY AND STRANDS 2 AND 4 ARE FROM THE 2SAM 55 REMARK 6 SYMMETRY RELATED MOLECULE. 2SAM 56 REMARK 6 I 4 PRO 1 THR 4 0 2SAM 57 REMARK 6 I 4 THR 96 PHE 99 -1 2SAM 58 REMARK 6 I 4 THR 96 PHE 99 -1 2SAM 59 REMARK 6 I 4 PRO 1 THR 4 -1 2SAM 60 REMARK 7 2SAM 61 REMARK 7 SEQUENCE ADVISORY NOTICE 2SAM 62 REMARK 7 DIFFERENCE BETWEEN SWISS-PROT AND PDB SEQUENCE. 2SAM 63 REMARK 7 2SAM 64 REMARK 7 SWISS-PROT ENTRY NAME: POL_SIVM1 2SAM 65 REMARK 7 2SAM 66 REMARK 7 SWISS-PROT RESIDUE PDB SEQRES 2SAM 67 REMARK 7 2SAM 68 REMARK 7 NAME NUMBER NAME CHAIN SEQ/INSERT CODE 2SAM 69 REMARK 7 SER 109 HIS 4 2SAM 70 REMARK 7 ARG 112 LYS 7 2SAM 71 REMARK 7 LEU 204 PHE 99 2SAM 72 REMARK 7 2SAM 73 REMARK 7 THE SEQUENCE IN THIS ENTRY IS FROM SIVMM239 (AS NAMED IN 2SAM 74 REMARK 7 THE "HUMAN RETROVIRUS AND AIDS" LISTING OF SEQUENCES OF HIV 2SAM 75 REMARK 7 GENOMES, PUBLISHED BY LOS ALAMOS NATIONAL LABORATORY. THIS 2SAM 76 REMARK 7 SEQUENCE IS DIFFERENT THAN THE POL_SIVM1 SEQUENCE ABOVE IN 2SAM 77 REMARK 7 TWO POSITIONS, AT RESIDUE 7 WHICH IS LYS IN THIS STRUCTURE 2SAM 78 REMARK 7 AND ARG IN POL_SIVM1 AND AT RESIDUE 99 WHICH IS PHE IN THIS 2SAM 79 REMARK 7 STRUCTURE AND LEU IN POL_SIMV1. THE HIS AT POSITION 4 IN 2SAM 80 REMARK 7 THIS STRUCTURE IS A POINT MUTANT AND IS A SER IN THE 2SAM 81 REMARK 7 WILD-TYPE SIVMM239 SEQUENCE. THIS POINT MUTATION AT 2SAM 82 REMARK 7 RESIDUE 4 WAS ENGINEERED TO DECREASE THE PROTEASE'S 2SAM 83 REMARK 7 SUSCEPTIBILITY TO AUTOPROTEOLYSIS. 2SAM 84 REMARK 8 2SAM 85 REMARK 8 THE OCCUPANCY OF THE LIGAND, EPNP, WAS REFINED TO 0.5. THE 2SAM 86 REMARK 8 STOICHIOMETRY OF BINDING OF EPNP TO SIV PROTEASE IS ONE 2SAM 87 REMARK 8 MOLECULE PER PROTEASE DIMER; ONLY ONE OF THE ACTIVE-SITE 2SAM 88 REMARK 8 ASPARTIC ACIDS PER DIMER BECOMES LABELLED BY EPNP. UPON 2SAM 89 REMARK 8 EPNP BINDING TO THE DIMER, EACH INDIVIDUAL DIMER MOLECULE 2SAM 90 REMARK 8 IS NO LONGER TWO-FOLD SYMMETRICAL AROUND THE 2SAM 91 REMARK 8 CRYSTALLOGRAPHIC TWO-FOLD AXIS. THE DIMER TWO-FOLD IS 2SAM 92 REMARK 8 STILL A CRYSTALLOGRAPHIC TWO-FOLD BECAUSE STATISTICALLY 2SAM 93 REMARK 8 THROUGHOUT THE CRYSTAL THE EPNP IS LOCATED ON EITHER OF THE 2SAM 94 REMARK 8 TWO ACTIVE-SITE ASPARTIC ACIDS WITH EQUAL PROBABILITY. 2SAM 95 SEQRES 1 99 PRO GLN PHE HIS LEU TRP LYS ARG PRO VAL VAL THR ALA 2SAM 96 SEQRES 2 99 HIS ILE GLU GLY GLN PRO VAL GLU VAL LEU LEU ASP THR 2SAM 97 SEQRES 3 99 GLY ALA ASP ASP SER ILE VAL THR GLY ILE GLU LEU GLY 2SAM 98 SEQRES 4 99 PRO HIS TYR THR PRO LYS ILE VAL GLY GLY ILE GLY GLY 2SAM 99 SEQRES 5 99 PHE ILE ASN THR LYS GLU TYR LYS ASN VAL GLU ILE GLU 2SAM 100 SEQRES 6 99 VAL LEU GLY LYS ARG ILE LYS GLY THR ILE MET THR GLY 2SAM 101 SEQRES 7 99 ASP THR PRO ILE ASN ILE PHE GLY ARG ASN LEU LEU THR 2SAM 102 SEQRES 8 99 ALA LEU GLY MET SER LEU ASN PHE 2SAM 103 FTNOTE 1 2SAM 104 FTNOTE 1 THE EPN INHIBITOR IS COVALENTLY BOUND TO OD2 OF ASP 25. 2SAM 105 HET EPN 101 14 1,2-EPOXY-3-(P-NITROPHENOXY)-PROPANE 2SAM 106 FORMUL 2 EPN C9 H9 N1 O4 2SAM 107 FORMUL 3 HOH *24(H2 O1) 2SAM 108 HELIX 1 A ARG 87 GLY 94 1 2SAM 109 SHEET 1 II 4 GLN 18 GLU 21 0 2SAM 110 SHEET 2 II 4 THR 12 ILE 15 -1 N ALA 13 O VAL 20 2SAM 111 SHEET 3 II 4 ASN 61 VAL 66 -1 O GLU 65 N HIS 14 2SAM 112 SHEET 4 II 4 LYS 69 GLY 73 -1 O LYS 69 N VAL 66 2SAM 113 SHEET 1 III 7 PRO 9 VAL 11 0 2SAM 114 SHEET 2 III 7 VAL 22 LEU 24 -1 N LEU 24 O PRO 9 2SAM 115 SHEET 3 III 7 ASN 83 GLY 86 1 N PHE 85 O LEU 23 2SAM 116 SHEET 4 III 7 ASP 30 THR 34 -1 O ASP 30 N GLY 86 2SAM 117 SHEET 5 III 7 THR 74 ASP 79 1 N MET 76 O SER 31 2SAM 118 SHEET 6 III 7 GLY 52 LYS 60 -1 O TYR 59 N ILE 75 2SAM 119 SHEET 7 III 7 THR 43 GLY 49 -1 N THR 43 O GLU 58 2SAM 120 TURN 1 T1 LYS 69 VAL 66 2SAM 121 TURN 2 T2 ILE 15 GLN 18 2SAM 122 TURN 3 T3 GLY 49 GLY 52 2SAM 123 TURN 4 T4 ASP 25 ALA 28 2SAM 124 CRYST1 62.700 32.200 96.100 90.00 90.00 90.00 C 2 2 21 8 2SAM 125 ORIGX1 1.000000 0.000000 0.000000 0.00000 2SAM 126 ORIGX2 0.000000 1.000000 0.000000 0.00000 2SAM 127 ORIGX3 0.000000 0.000000 1.000000 0.00000 2SAM 128 SCALE1 0.015949 0.000000 0.000000 0.00000 2SAM 129 SCALE2 0.000000 0.031056 0.000000 0.00000 2SAM 130 SCALE3 0.000000 0.000000 0.010406 0.00000 2SAM 131 ATOM 1 N PRO 1 3.518 5.816 -4.523 1.00 23.85 2SAM 132 ATOM 2 CA PRO 1 2.889 6.904 -3.790 1.00 22.41 2SAM 133 ATOM 3 C PRO 1 1.734 6.215 -3.096 1.00 22.08 2SAM 134 ATOM 4 O PRO 1 1.512 5.066 -3.449 1.00 22.60 2SAM 135 ATOM 5 CB PRO 1 2.407 7.942 -4.806 1.00 27.17 2SAM 136 ATOM 6 CG PRO 1 3.363 7.768 -5.963 1.00 24.94 2SAM 137 ATOM 7 CD PRO 1 3.558 6.240 -5.925 1.00 27.39 2SAM 138 ATOM 8 N GLN 2 0.972 6.770 -2.162 1.00 26.25 2SAM 139 ATOM 9 CA GLN 2 -0.090 6.025 -1.530 1.00 28.40 2SAM 140 ATOM 10 C GLN 2 -1.001 7.060 -0.931 1.00 28.13 2SAM 141 ATOM 11 O GLN 2 -0.682 8.248 -0.860 1.00 24.35 2SAM 142 ATOM 12 CB GLN 2 0.441 5.088 -0.424 1.00 32.42 2SAM 143 ATOM 13 CG GLN 2 0.739 5.639 0.956 1.00 45.21 2SAM 144 ATOM 14 CD GLN 2 2.201 5.801 1.360 1.00 52.00 2SAM 145 ATOM 15 OE1 GLN 2 2.543 6.819 1.969 1.00 54.20 2SAM 146 ATOM 16 NE2 GLN 2 3.115 4.853 1.151 1.00 54.60 2SAM 147 ATOM 17 N PHE 3 -2.163 6.565 -0.569 1.00 25.53 2SAM 148 ATOM 18 CA PHE 3 -3.163 7.364 0.068 1.00 25.96 2SAM 149 ATOM 19 C PHE 3 -3.031 6.849 1.492 1.00 31.88 2SAM 150 ATOM 20 O PHE 3 -2.750 5.665 1.701 1.00 28.51 2SAM 151 ATOM 21 CB PHE 3 -4.540 7.027 -0.444 1.00 26.38 2SAM 152 ATOM 22 CG PHE 3 -4.759 7.398 -1.884 1.00 29.33 2SAM 153 ATOM 23 CD1 PHE 3 -4.245 6.598 -2.893 1.00 30.17 2SAM 154 ATOM 24 CD2 PHE 3 -5.496 8.531 -2.180 1.00 29.97 2SAM 155 ATOM 25 CE1 PHE 3 -4.477 6.937 -4.212 1.00 32.04 2SAM 156 ATOM 26 CE2 PHE 3 -5.721 8.856 -3.502 1.00 32.27 2SAM 157 ATOM 27 CZ PHE 3 -5.214 8.063 -4.517 1.00 32.42 2SAM 158 ATOM 28 N HIS 4 -3.146 7.740 2.475 1.00 35.51 2SAM 159 ATOM 29 CA HIS 4 -3.133 7.395 3.889 1.00 35.62 2SAM 160 ATOM 30 C HIS 4 -4.596 7.602 4.157 1.00 34.32 2SAM 161 ATOM 31 O HIS 4 -5.135 8.612 3.718 1.00 41.03 2SAM 162 ATOM 32 CB HIS 4 -2.291 8.370 4.669 1.00 40.81 2SAM 163 ATOM 33 CG HIS 4 -0.806 8.072 4.511 1.00 48.25 2SAM 164 ATOM 34 ND1 HIS 4 -0.092 7.145 5.146 1.00 49.93 2SAM 165 ATOM 35 CD2 HIS 4 0.053 8.745 3.660 1.00 53.31 2SAM 166 ATOM 36 CE1 HIS 4 1.154 7.235 4.716 1.00 53.72 2SAM 167 ATOM 37 NE2 HIS 4 1.234 8.197 3.821 1.00 54.69 2SAM 168 ATOM 38 N LEU 5 -5.286 6.772 4.903 1.00 28.64 2SAM 169 ATOM 39 CA LEU 5 -6.730 6.831 4.898 1.00 20.22 2SAM 170 ATOM 40 C LEU 5 -7.424 7.745 5.899 1.00 23.60 2SAM 171 ATOM 41 O LEU 5 -8.595 7.587 6.218 1.00 18.44 2SAM 172 ATOM 42 CB LEU 5 -7.121 5.349 4.984 1.00 20.06 2SAM 173 ATOM 43 CG LEU 5 -6.669 4.411 3.789 1.00 15.45 2SAM 174 ATOM 44 CD1 LEU 5 -6.665 2.968 4.245 1.00 18.19 2SAM 175 ATOM 45 CD2 LEU 5 -7.599 4.580 2.584 1.00 8.83 2SAM 176 ATOM 46 N TRP 6 -6.743 8.826 6.307 1.00 28.03 2SAM 177 ATOM 47 CA TRP 6 -7.288 9.803 7.257 1.00 25.98 2SAM 178 ATOM 48 C TRP 6 -8.378 10.552 6.567 1.00 27.34 2SAM 179 ATOM 49 O TRP 6 -9.262 11.059 7.237 1.00 33.54 2SAM 180 ATOM 50 CB TRP 6 -6.258 10.843 7.715 1.00 26.90 2SAM 181 ATOM 51 CG TRP 6 -5.031 10.146 8.305 1.00 38.66 2SAM 182 ATOM 52 CD1 TRP 6 -3.834 10.057 7.610 1.00 40.33 2SAM 183 ATOM 53 CD2 TRP 6 -5.012 9.443 9.504 1.00 39.37 2SAM 184 ATOM 54 NE1 TRP 6 -3.068 9.279 8.356 1.00 42.90 2SAM 185 ATOM 55 CE2 TRP 6 -3.730 8.892 9.485 1.00 42.59 2SAM 186 ATOM 56 CE3 TRP 6 -5.888 9.211 10.557 1.00 38.58 2SAM 187 ATOM 57 CZ2 TRP 6 -3.324 8.088 10.539 1.00 40.22 2SAM 188 ATOM 58 CZ3 TRP 6 -5.478 8.414 11.600 1.00 37.08 2SAM 189 ATOM 59 CH2 TRP 6 -4.209 7.861 11.583 1.00 41.09 2SAM 190 ATOM 60 N LYS 7 -8.296 10.695 5.240 1.00 28.53 2SAM 191 ATOM 61 CA LYS 7 -9.307 11.370 4.439 1.00 22.35 2SAM 192 ATOM 62 C LYS 7 -9.795 10.299 3.449 1.00 23.61 2SAM 193 ATOM 63 O LYS 7 -9.049 9.357 3.136 1.00 19.06 2SAM 194 ATOM 64 CB LYS 7 -8.663 12.537 3.687 1.00 16.30 2SAM 195 ATOM 65 N ARG 8 -11.058 10.392 2.988 1.00 18.97 2SAM 196 ATOM 66 CA ARG 8 -11.621 9.543 1.945 1.00 17.22 2SAM 197 ATOM 67 C ARG 8 -10.661 9.474 0.756 1.00 19.70 2SAM 198 ATOM 68 O ARG 8 -10.256 10.583 0.402 1.00 15.25 2SAM 199 ATOM 69 CB ARG 8 -12.925 10.135 1.465 1.00 17.21 2SAM 200 ATOM 70 CG ARG 8 -14.086 9.926 2.395 1.00 22.75 2SAM 201 ATOM 71 CD ARG 8 -15.417 10.393 1.843 1.00 21.03 2SAM 202 ATOM 72 NE ARG 8 -16.355 9.329 2.129 1.00 27.39 2SAM 203 ATOM 73 CZ ARG 8 -17.677 9.425 1.911 1.00 32.47 2SAM 204 ATOM 74 NH1 ARG 8 -18.225 10.569 1.479 1.00 26.06 2SAM 205 ATOM 75 NH2 ARG 8 -18.468 8.363 2.163 1.00 32.39 2SAM 206 ATOM 76 N PRO 9 -10.226 8.354 0.114 1.00 20.85 2SAM 207 ATOM 77 CA PRO 9 -9.302 8.349 -1.054 1.00 18.82 2SAM 208 ATOM 78 C PRO 9 -10.089 8.628 -2.342 1.00 18.93 2SAM 209 ATOM 79 O PRO 9 -10.758 7.766 -2.918 1.00 18.86 2SAM 210 ATOM 80 CB PRO 9 -8.683 6.984 -0.962 1.00 20.12 2SAM 211 ATOM 81 CG PRO 9 -9.832 6.089 -0.498 1.00 19.79 2SAM 212 ATOM 82 CD PRO 9 -10.628 6.993 0.479 1.00 18.89 2SAM 213 ATOM 83 N VAL 10 -10.096 9.905 -2.713 1.00 20.69 2SAM 214 ATOM 84 CA VAL 10 -10.821 10.449 -3.859 1.00 20.65 2SAM 215 ATOM 85 C VAL 10 -9.829 11.018 -4.899 1.00 25.60 2SAM 216 ATOM 86 O VAL 10 -8.791 11.634 -4.616 1.00 26.41 2SAM 217 ATOM 87 CB VAL 10 -11.791 11.550 -3.340 1.00 19.71 2SAM 218 ATOM 88 CG1 VAL 10 -12.476 12.302 -4.470 1.00 17.06 2SAM 219 ATOM 89 CG2 VAL 10 -12.890 10.895 -2.531 1.00 14.50 2SAM 220 ATOM 90 N VAL 11 -10.103 10.686 -6.144 1.00 27.13 2SAM 221 ATOM 91 CA VAL 11 -9.381 11.236 -7.255 1.00 21.73 2SAM 222 ATOM 92 C VAL 11 -10.425 11.738 -8.279 1.00 25.08 2SAM 223 ATOM 93 O VAL 11 -11.651 11.575 -8.151 1.00 19.30 2SAM 224 ATOM 94 CB VAL 11 -8.436 10.175 -7.920 1.00 17.47 2SAM 225 ATOM 95 CG1 VAL 11 -7.157 10.145 -7.185 1.00 18.00 2SAM 226 ATOM 96 CG2 VAL 11 -8.980 8.801 -7.875 1.00 17.42 2SAM 227 ATOM 97 N THR 12 -9.889 12.457 -9.268 1.00 28.89 2SAM 228 ATOM 98 CA THR 12 -10.580 12.848 -10.490 1.00 26.20 2SAM 229 ATOM 99 C THR 12 -10.168 11.861 -11.574 1.00 17.18 2SAM 230 ATOM 100 O THR 12 -8.968 11.596 -11.739 1.00 14.02 2SAM 231 ATOM 101 CB THR 12 -10.147 14.214 -10.935 1.00 30.25 2SAM 232 ATOM 102 OG1 THR 12 -10.273 15.056 -9.778 1.00 31.07 2SAM 233 ATOM 103 CG2 THR 12 -10.933 14.669 -12.188 1.00 29.00 2SAM 234 ATOM 104 N ALA 13 -11.144 11.343 -12.291 1.00 11.33 2SAM 235 ATOM 105 CA ALA 13 -10.927 10.411 -13.384 1.00 18.83 2SAM 236 ATOM 106 C ALA 13 -11.563 10.989 -14.652 1.00 18.83 2SAM 237 ATOM 107 O ALA 13 -12.515 11.775 -14.570 1.00 24.14 2SAM 238 ATOM 108 CB ALA 13 -11.599 9.082 -13.107 1.00 15.48 2SAM 239 ATOM 109 N HIS 14 -11.063 10.716 -15.849 1.00 22.13 2SAM 240 ATOM 110 CA HIS 14 -11.728 11.147 -17.107 1.00 19.68 2SAM 241 ATOM 111 C HIS 14 -12.263 9.886 -17.740 1.00 12.76 2SAM 242 ATOM 112 O HIS 14 -11.520 8.924 -17.965 1.00 17.84 2SAM 243 ATOM 113 CB HIS 14 -10.764 11.791 -18.077 1.00 19.98 2SAM 244 ATOM 114 CG HIS 14 -10.406 13.138 -17.535 1.00 22.81 2SAM 245 ATOM 115 ND1 HIS 14 -9.324 13.469 -16.848 1.00 28.26 2SAM 246 ATOM 116 CD2 HIS 14 -11.243 14.214 -17.579 1.00 26.48 2SAM 247 ATOM 117 CE1 HIS 14 -9.476 14.704 -16.452 1.00 26.94 2SAM 248 ATOM 118 NE2 HIS 14 -10.629 15.140 -16.897 1.00 27.92 2SAM 249 ATOM 119 N ILE 15 -13.555 9.806 -17.920 1.00 12.10 2SAM 250 ATOM 120 CA ILE 15 -14.157 8.605 -18.463 1.00 18.57 2SAM 251 ATOM 121 C ILE 15 -14.756 9.143 -19.762 1.00 24.99 2SAM 252 ATOM 122 O ILE 15 -15.638 10.043 -19.758 1.00 20.95 2SAM 253 ATOM 123 CB ILE 15 -15.247 8.074 -17.468 1.00 19.56 2SAM 254 ATOM 124 CG1 ILE 15 -14.600 7.579 -16.169 1.00 12.86 2SAM 255 ATOM 125 CG2 ILE 15 -16.047 6.968 -18.157 1.00 11.64 2SAM 256 ATOM 126 CD1 ILE 15 -15.627 6.993 -15.202 1.00 16.52 2SAM 257 ATOM 127 N GLU 16 -14.184 8.627 -20.883 1.00 23.46 2SAM 258 ATOM 128 CA GLU 16 -14.583 9.042 -22.223 1.00 13.30 2SAM 259 ATOM 129 C GLU 16 -14.540 10.565 -22.321 1.00 11.81 2SAM 260 ATOM 130 O GLU 16 -15.505 11.251 -22.675 1.00 10.11 2SAM 261 ATOM 131 CB GLU 16 -15.982 8.521 -22.491 1.00 12.03 2SAM 262 ATOM 132 CG GLU 16 -15.924 7.023 -22.689 1.00 20.16 2SAM 263 ATOM 133 CD GLU 16 -15.084 6.528 -23.875 1.00 27.94 2SAM 264 ATOM 134 OE1 GLU 16 -14.887 7.250 -24.867 1.00 32.13 2SAM 265 ATOM 135 OE2 GLU 16 -14.638 5.386 -23.814 1.00 28.18 2SAM 266 ATOM 136 N GLY 17 -13.429 11.074 -21.796 1.00 9.36 2SAM 267 ATOM 137 CA GLY 17 -13.200 12.500 -21.704 1.00 19.41 2SAM 268 ATOM 138 C GLY 17 -14.007 13.238 -20.637 1.00 23.22 2SAM 269 ATOM 139 O GLY 17 -13.614 14.348 -20.313 1.00 26.26 2SAM 270 ATOM 140 N GLN 18 -15.093 12.736 -20.052 1.00 24.13 2SAM 271 ATOM 141 CA GLN 18 -15.826 13.435 -18.992 1.00 29.45 2SAM 272 ATOM 142 C GLN 18 -15.066 13.384 -17.614 1.00 32.68 2SAM 273 ATOM 143 O GLN 18 -14.620 12.301 -17.195 1.00 32.51 2SAM 274 ATOM 144 CB GLN 18 -17.202 12.762 -18.966 1.00 29.39 2SAM 275 ATOM 145 CG GLN 18 -17.890 12.743 -20.349 1.00 32.71 2SAM 276 ATOM 146 CD GLN 18 -19.179 11.927 -20.492 1.00 38.86 2SAM 277 ATOM 147 OE1 GLN 18 -20.325 12.383 -20.308 1.00 40.03 2SAM 278 ATOM 148 NE2 GLN 18 -18.995 10.658 -20.847 1.00 39.28 2SAM 279 ATOM 149 N PRO 19 -14.768 14.484 -16.884 1.00 31.31 2SAM 280 ATOM 150 CA PRO 19 -14.176 14.471 -15.529 1.00 26.93 2SAM 281 ATOM 151 C PRO 19 -15.191 14.077 -14.462 1.00 24.76 2SAM 282 ATOM 152 O PRO 19 -16.328 14.578 -14.469 1.00 22.36 2SAM 283 ATOM 153 CB PRO 19 -13.664 15.854 -15.345 1.00 27.11 2SAM 284 ATOM 154 CG PRO 19 -14.777 16.667 -15.995 1.00 32.47 2SAM 285 ATOM 155 CD PRO 19 -15.161 15.847 -17.249 1.00 33.21 2SAM 286 ATOM 156 N VAL 20 -14.796 13.170 -13.568 1.00 26.37 2SAM 287 ATOM 157 CA VAL 20 -15.658 12.692 -12.479 1.00 25.91 2SAM 288 ATOM 158 C VAL 20 -14.780 12.473 -11.241 1.00 19.25 2SAM 289 ATOM 159 O VAL 20 -13.594 12.137 -11.337 1.00 18.58 2SAM 290 ATOM 160 CB VAL 20 -16.366 11.416 -13.030 1.00 24.57 2SAM 291 ATOM 161 CG1 VAL 20 -15.470 10.219 -12.976 1.00 31.16 2SAM 292 ATOM 162 CG2 VAL 20 -17.612 11.167 -12.262 1.00 30.80 2SAM 293 ATOM 163 N GLU 21 -15.304 12.814 -10.073 1.00 21.73 2SAM 294 ATOM 164 CA GLU 21 -14.631 12.670 -8.781 1.00 20.00 2SAM 295 ATOM 165 C GLU 21 -14.984 11.280 -8.306 1.00 18.38 2SAM 296 ATOM 166 O GLU 21 -16.192 10.984 -8.217 1.00 15.23 2SAM 297 ATOM 167 CB GLU 21 -15.191 13.686 -7.868 1.00 29.35 2SAM 298 ATOM 168 CG GLU 21 -14.437 14.989 -7.971 1.00 43.58 2SAM 299 ATOM 169 CD GLU 21 -13.528 15.160 -6.759 1.00 54.79 2SAM 300 ATOM 170 OE1 GLU 21 -14.047 15.488 -5.675 1.00 55.49 2SAM 301 ATOM 171 OE2 GLU 21 -12.318 14.938 -6.906 1.00 57.50 2SAM 302 ATOM 172 N VAL 22 -14.017 10.375 -8.138 1.00 11.73 2SAM 303 ATOM 173 CA VAL 22 -14.331 9.019 -7.701 1.00 17.52 2SAM 304 ATOM 174 C VAL 22 -13.670 8.572 -6.396 1.00 17.69 2SAM 305 ATOM 175 O VAL 22 -12.521 8.958 -6.096 1.00 18.66 2SAM 306 ATOM 176 CB VAL 22 -13.956 7.971 -8.808 1.00 13.40 2SAM 307 ATOM 177 CG1 VAL 22 -14.917 8.197 -9.971 1.00 14.96 2SAM 308 ATOM 178 CG2 VAL 22 -12.484 8.035 -9.174 1.00 8.21 2SAM 309 ATOM 179 N LEU 23 -14.375 7.711 -5.649 1.00 15.05 2SAM 310 ATOM 180 CA LEU 23 -13.845 7.133 -4.411 1.00 13.58 2SAM 311 ATOM 181 C LEU 23 -13.233 5.775 -4.749 1.00 14.28 2SAM 312 ATOM 182 O LEU 23 -13.916 4.901 -5.339 1.00 12.25 2SAM 313 ATOM 183 CB LEU 23 -15.004 6.981 -3.393 1.00 13.53 2SAM 314 ATOM 184 CG LEU 23 -14.769 6.294 -2.035 1.00 13.29 2SAM 315 ATOM 185 CD1 LEU 23 -13.696 7.036 -1.309 1.00 7.37 2SAM 316 ATOM 186 CD2 LEU 23 -16.014 6.311 -1.182 1.00 8.70 2SAM 317 ATOM 187 N LEU 24 -11.960 5.586 -4.429 1.00 8.05 2SAM 318 ATOM 188 CA LEU 24 -11.301 4.312 -4.641 1.00 11.69 2SAM 319 ATOM 189 C LEU 24 -11.668 3.319 -3.523 1.00 13.73 2SAM 320 ATOM 190 O LEU 24 -11.224 3.432 -2.380 1.00 21.41 2SAM 321 ATOM 191 CB LEU 24 -9.832 4.556 -4.658 1.00 13.27 2SAM 322 ATOM 192 CG LEU 24 -9.309 5.641 -5.543 1.00 12.06 2SAM 323 ATOM 193 CD1 LEU 24 -7.838 5.820 -5.244 1.00 15.15 2SAM 324 ATOM 194 CD2 LEU 24 -9.503 5.272 -6.987 1.00 6.97 2SAM 325 ATOM 195 N ASP 25 -12.381 2.239 -3.786 1.00 13.81 2SAM 326 ATOM 196 CA ASP 25 -12.999 1.455 -2.753 1.00 10.25 2SAM 327 ATOM 197 C ASP 25 -12.562 0.019 -2.724 1.00 14.14 2SAM 328 ATOM 198 O ASP 25 -13.180 -0.730 -3.469 1.00 22.86 2SAM 329 ATOM 199 CB ASP 25 -14.491 1.623 -2.994 1.00 4.41 2SAM 330 ATOM 200 CG ASP 25 -15.466 0.896 -2.111 1.00 3.91 2SAM 331 ATOM 201 OD1 ASP 25 -15.151 -0.175 -1.614 1.00 8.85 2SAM 332 ATOM 202 OD2 ASP 25 -16.765 1.384 -1.921 1.00 6.84 1 2SAM 333 ATOM 203 N THR 26 -11.636 -0.484 -1.892 1.00 9.58 2SAM 334 ATOM 204 CA THR 26 -11.297 -1.901 -1.936 1.00 8.30 2SAM 335 ATOM 205 C THR 26 -12.433 -2.872 -1.611 1.00 9.55 2SAM 336 ATOM 206 O THR 26 -12.297 -4.080 -1.792 1.00 18.43 2SAM 337 ATOM 207 CB THR 26 -10.134 -2.108 -1.013 1.00 13.17 2SAM 338 ATOM 208 OG1 THR 26 -10.613 -1.664 0.254 1.00 18.13 2SAM 339 ATOM 209 CG2 THR 26 -8.862 -1.338 -1.441 1.00 6.52 2SAM 340 ATOM 210 N GLY 27 -13.606 -2.373 -1.216 1.00 9.11 2SAM 341 ATOM 211 CA GLY 27 -14.684 -3.231 -0.842 1.00 7.20 2SAM 342 ATOM 212 C GLY 27 -15.725 -3.276 -1.923 1.00 20.03 2SAM 343 ATOM 213 O GLY 27 -16.853 -3.701 -1.696 1.00 28.54 2SAM 344 ATOM 214 N ALA 28 -15.459 -2.782 -3.117 1.00 24.92 2SAM 345 ATOM 215 CA ALA 28 -16.397 -2.881 -4.223 1.00 13.21 2SAM 346 ATOM 216 C ALA 28 -15.712 -3.820 -5.206 1.00 10.87 2SAM 347 ATOM 217 O ALA 28 -14.497 -3.774 -5.439 1.00 9.35 2SAM 348 ATOM 218 CB ALA 28 -16.590 -1.493 -4.825 1.00 11.41 2SAM 349 ATOM 219 N ASP 29 -16.476 -4.752 -5.751 1.00 11.32 2SAM 350 ATOM 220 CA ASP 29 -15.960 -5.617 -6.811 1.00 20.53 2SAM 351 ATOM 221 C ASP 29 -16.033 -4.882 -8.123 1.00 18.03 2SAM 352 ATOM 222 O ASP 29 -15.111 -4.986 -8.914 1.00 27.09 2SAM 353 ATOM 223 CB ASP 29 -16.761 -6.918 -7.002 1.00 25.59 2SAM 354 ATOM 224 CG ASP 29 -16.923 -7.818 -5.766 1.00 23.43 2SAM 355 ATOM 225 OD1 ASP 29 -15.953 -8.026 -5.031 1.00 18.95 2SAM 356 ATOM 226 OD2 ASP 29 -18.044 -8.289 -5.553 1.00 22.56 2SAM 357 ATOM 227 N ASP 30 -17.048 -4.024 -8.257 1.00 20.19 2SAM 358 ATOM 228 CA ASP 30 -17.413 -3.240 -9.447 1.00 16.37 2SAM 359 ATOM 229 C ASP 30 -17.189 -1.739 -9.331 1.00 17.17 2SAM 360 ATOM 230 O ASP 30 -17.017 -1.225 -8.216 1.00 17.47 2SAM 361 ATOM 231 CB ASP 30 -18.907 -3.472 -9.741 1.00 22.32 2SAM 362 ATOM 232 CG ASP 30 -19.268 -4.943 -9.918 1.00 21.97 2SAM 363 ATOM 233 OD1 ASP 30 -18.465 -5.663 -10.501 1.00 25.93 2SAM 364 ATOM 234 OD2 ASP 30 -20.322 -5.374 -9.458 1.00 26.30 2SAM 365 ATOM 235 N SER 31 -17.217 -0.997 -10.432 1.00 11.16 2SAM 366 ATOM 236 CA SER 31 -17.146 0.459 -10.373 1.00 6.83 2SAM 367 ATOM 237 C SER 31 -18.483 0.988 -10.845 1.00 10.33 2SAM 368 ATOM 238 O SER 31 -19.114 0.409 -11.739 1.00 15.43 2SAM 369 ATOM 239 CB SER 31 -16.047 0.956 -11.267 1.00 7.66 2SAM 370 ATOM 240 OG SER 31 -14.817 0.303 -10.931 1.00 8.51 2SAM 371 ATOM 241 N ILE 32 -19.045 2.019 -10.225 1.00 10.15 2SAM 372 ATOM 242 CA ILE 32 -20.298 2.569 -10.662 1.00 7.96 2SAM 373 ATOM 243 C ILE 32 -20.246 4.044 -10.358 1.00 16.71 2SAM 374 ATOM 244 O ILE 32 -19.778 4.512 -9.302 1.00 21.05 2SAM 375 ATOM 245 CB ILE 32 -21.535 1.820 -10.023 1.00 10.94 2SAM 376 ATOM 246 CG1 ILE 32 -22.614 2.847 -9.924 1.00 8.24 2SAM 377 ATOM 247 CG2 ILE 32 -21.223 1.030 -8.747 1.00 18.13 2SAM 378 ATOM 248 CD1 ILE 32 -23.939 2.194 -10.121 1.00 12.57 2SAM 379 ATOM 249 N VAL 33 -20.605 4.695 -11.482 1.00 12.41 2SAM 380 ATOM 250 CA VAL 33 -20.529 6.125 -11.653 1.00 9.74 2SAM 381 ATOM 251 C VAL 33 -21.922 6.639 -11.970 1.00 11.28 2SAM 382 ATOM 252 O VAL 33 -22.818 5.861 -12.295 1.00 17.31 2SAM 383 ATOM 253 CB VAL 33 -19.452 6.259 -12.748 1.00 11.52 2SAM 384 ATOM 254 CG1 VAL 33 -19.564 7.578 -13.411 1.00 17.36 2SAM 385 ATOM 255 CG2 VAL 33 -18.019 6.219 -12.125 1.00 3.10 2SAM 386 ATOM 256 N THR 34 -22.227 7.903 -11.794 1.00 11.99 2SAM 387 ATOM 257 CA THR 34 -23.511 8.408 -12.199 1.00 19.27 2SAM 388 ATOM 258 C THR 34 -23.150 9.728 -12.857 1.00 23.67 2SAM 389 ATOM 259 O THR 34 -21.997 10.204 -12.829 1.00 26.11 2SAM 390 ATOM 260 CB THR 34 -24.473 8.611 -10.964 1.00 27.04 2SAM 391 ATOM 261 OG1 THR 34 -25.742 8.964 -11.552 1.00 28.60 2SAM 392 ATOM 262 CG2 THR 34 -24.029 9.666 -9.918 1.00 24.09 2SAM 393 ATOM 263 N GLY 35 -24.148 10.288 -13.527 1.00 26.07 2SAM 394 ATOM 264 CA GLY 35 -23.985 11.574 -14.191 1.00 32.78 2SAM 395 ATOM 265 C GLY 35 -23.046 11.602 -15.391 1.00 34.08 2SAM 396 ATOM 266 O GLY 35 -22.693 12.685 -15.845 1.00 41.55 2SAM 397 ATOM 267 N ILE 36 -22.634 10.452 -15.917 1.00 35.63 2SAM 398 ATOM 268 CA ILE 36 -21.787 10.342 -17.099 1.00 34.51 2SAM 399 ATOM 269 C ILE 36 -22.751 9.784 -18.161 1.00 34.20 2SAM 400 ATOM 270 O ILE 36 -23.693 9.066 -17.779 1.00 31.32 2SAM 401 ATOM 271 CB ILE 36 -20.626 9.392 -16.645 1.00 34.65 2SAM 402 ATOM 272 CG1 ILE 36 -19.352 10.145 -16.836 1.00 37.52 2SAM 403 ATOM 273 CG2 ILE 36 -20.534 8.088 -17.398 1.00 30.36 2SAM 404 ATOM 274 CD1 ILE 36 -19.292 11.419 -15.979 1.00 42.33 2SAM 405 ATOM 275 N GLU 37 -22.659 10.086 -19.461 1.00 38.30 2SAM 406 ATOM 276 CA GLU 37 -23.490 9.373 -20.452 1.00 36.63 2SAM 407 ATOM 277 C GLU 37 -22.558 8.460 -21.267 1.00 35.35 2SAM 408 ATOM 278 O GLU 37 -21.496 8.936 -21.730 1.00 33.30 2SAM 409 ATOM 279 CB GLU 37 -24.182 10.364 -21.381 1.00 40.50 2SAM 410 ATOM 280 N LEU 38 -22.830 7.143 -21.394 1.00 28.57 2SAM 411 ATOM 281 CA LEU 38 -21.868 6.302 -22.110 1.00 32.08 2SAM 412 ATOM 282 C LEU 38 -22.277 5.455 -23.328 1.00 36.27 2SAM 413 ATOM 283 O LEU 38 -21.477 4.682 -23.877 1.00 39.38 2SAM 414 ATOM 284 CB LEU 38 -21.176 5.383 -21.109 1.00 25.84 2SAM 415 ATOM 285 CG LEU 38 -20.152 6.019 -20.212 1.00 26.70 2SAM 416 ATOM 286 CD1 LEU 38 -19.447 4.960 -19.414 1.00 19.78 2SAM 417 ATOM 287 CD2 LEU 38 -19.148 6.768 -21.054 1.00 30.54 2SAM 418 ATOM 288 N GLY 39 -23.497 5.569 -23.837 1.00 35.59 2SAM 419 ATOM 289 CA GLY 39 -23.839 4.803 -25.020 1.00 41.14 2SAM 420 ATOM 290 C GLY 39 -25.132 4.052 -24.790 1.00 43.05 2SAM 421 ATOM 291 O GLY 39 -25.665 4.028 -23.682 1.00 47.85 2SAM 422 ATOM 292 N PRO 40 -25.722 3.459 -25.814 1.00 40.61 2SAM 423 ATOM 293 CA PRO 40 -26.783 2.489 -25.648 1.00 34.00 2SAM 424 ATOM 294 C PRO 40 -26.235 1.099 -25.741 1.00 26.62 2SAM 425 ATOM 295 O PRO 40 -26.980 0.152 -25.889 1.00 25.29 2SAM 426 ATOM 296 CB PRO 40 -27.735 2.819 -26.744 1.00 41.92 2SAM 427 ATOM 297 CG PRO 40 -26.762 3.123 -27.877 1.00 43.25 2SAM 428 ATOM 298 CD PRO 40 -25.740 4.016 -27.166 1.00 43.19 2SAM 429 ATOM 299 N HIS 41 -24.939 0.921 -25.738 1.00 26.14 2SAM 430 ATOM 300 CA HIS 41 -24.424 -0.415 -25.835 1.00 32.61 2SAM 431 ATOM 301 C HIS 41 -24.080 -0.902 -24.442 1.00 32.39 2SAM 432 ATOM 302 O HIS 41 -22.899 -0.945 -24.078 1.00 30.10 2SAM 433 ATOM 303 CB HIS 41 -23.204 -0.398 -26.747 1.00 40.13 2SAM 434 ATOM 304 CG HIS 41 -23.673 -0.526 -28.177 1.00 47.58 2SAM 435 ATOM 305 ND1 HIS 41 -23.850 0.433 -29.083 1.00 49.52 2SAM 436 ATOM 306 CD2 HIS 41 -24.053 -1.726 -28.736 1.00 49.20 2SAM 437 ATOM 307 CE1 HIS 41 -24.335 -0.139 -30.160 1.00 52.75 2SAM 438 ATOM 308 NE2 HIS 41 -24.450 -1.431 -29.938 1.00 51.68 2SAM 439 ATOM 309 N TYR 42 -25.121 -1.204 -23.667 1.00 29.04 2SAM 440 ATOM 310 CA TYR 42 -24.912 -1.699 -22.326 1.00 28.89 2SAM 441 ATOM 311 C TYR 42 -25.703 -2.965 -22.080 1.00 31.39 2SAM 442 ATOM 312 O TYR 42 -26.719 -3.183 -22.745 1.00 30.47 2SAM 443 ATOM 313 CB TYR 42 -25.349 -0.664 -21.297 1.00 23.45 2SAM 444 ATOM 314 CG TYR 42 -26.820 -0.420 -21.336 1.00 14.21 2SAM 445 ATOM 315 CD1 TYR 42 -27.665 -1.190 -20.603 1.00 13.12 2SAM 446 ATOM 316 CD2 TYR 42 -27.274 0.538 -22.159 1.00 17.10 2SAM 447 ATOM 317 CE1 TYR 42 -29.015 -1.004 -20.694 1.00 17.31 2SAM 448 ATOM 318 CE2 TYR 42 -28.629 0.740 -22.253 1.00 21.91 2SAM 449 ATOM 319 CZ TYR 42 -29.512 -0.026 -21.519 1.00 20.70 2SAM 450 ATOM 320 OH TYR 42 -30.898 0.185 -21.628 1.00 25.21 2SAM 451 ATOM 321 N THR 43 -25.332 -3.688 -21.029 1.00 33.36 2SAM 452 ATOM 322 CA THR 43 -26.101 -4.827 -20.547 1.00 33.33 2SAM 453 ATOM 323 C THR 43 -26.686 -4.444 -19.182 1.00 36.14 2SAM 454 ATOM 324 O THR 43 -25.970 -3.849 -18.366 1.00 36.77 2SAM 455 ATOM 325 CB THR 43 -25.170 -6.028 -20.461 1.00 35.84 2SAM 456 ATOM 326 OG1 THR 43 -23.801 -5.686 -20.791 1.00 43.53 2SAM 457 ATOM 327 CG2 THR 43 -25.683 -7.058 -21.447 1.00 39.89 2SAM 458 ATOM 328 N PRO 44 -27.959 -4.662 -18.848 1.00 38.56 2SAM 459 ATOM 329 CA PRO 44 -28.555 -4.286 -17.546 1.00 36.16 2SAM 460 ATOM 330 C PRO 44 -27.974 -5.072 -16.371 1.00 37.62 2SAM 461 ATOM 331 O PRO 44 -27.739 -6.267 -16.573 1.00 43.19 2SAM 462 ATOM 332 CB PRO 44 -30.017 -4.553 -17.723 1.00 35.44 2SAM 463 ATOM 333 CG PRO 44 -30.186 -4.819 -19.220 1.00 39.21 2SAM 464 ATOM 334 CD PRO 44 -28.884 -5.498 -19.603 1.00 35.53 2SAM 465 ATOM 335 N LYS 45 -27.672 -4.552 -15.169 1.00 37.77 2SAM 466 ATOM 336 CA LYS 45 -27.232 -5.382 -14.032 1.00 33.07 2SAM 467 ATOM 337 C LYS 45 -27.947 -4.856 -12.779 1.00 32.85 2SAM 468 ATOM 338 O LYS 45 -28.633 -3.841 -12.815 1.00 35.75 2SAM 469 ATOM 339 CB LYS 45 -25.759 -5.272 -13.703 1.00 34.56 2SAM 470 ATOM 340 CG LYS 45 -24.655 -5.559 -14.679 1.00 38.58 2SAM 471 ATOM 341 CD LYS 45 -24.088 -6.960 -14.703 1.00 41.22 2SAM 472 ATOM 342 CE LYS 45 -24.559 -7.581 -16.015 1.00 43.55 2SAM 473 ATOM 343 NZ LYS 45 -23.586 -8.527 -16.536 1.00 45.35 2SAM 474 ATOM 344 N ILE 46 -27.890 -5.485 -11.624 1.00 31.79 2SAM 475 ATOM 345 CA ILE 46 -28.392 -4.915 -10.388 1.00 31.00 2SAM 476 ATOM 346 C ILE 46 -27.246 -5.184 -9.420 1.00 32.08 2SAM 477 ATOM 347 O ILE 46 -26.673 -6.278 -9.428 1.00 36.32 2SAM 478 ATOM 348 CB ILE 46 -29.724 -5.579 -9.917 1.00 29.18 2SAM 479 ATOM 349 CG1 ILE 46 -29.686 -7.061 -10.136 1.00 30.44 2SAM 480 ATOM 350 CG2 ILE 46 -30.894 -4.907 -10.656 1.00 23.57 2SAM 481 ATOM 351 CD1 ILE 46 -31.055 -7.713 -10.462 1.00 37.44 2SAM 482 ATOM 352 N VAL 47 -26.712 -4.196 -8.715 1.00 32.21 2SAM 483 ATOM 353 CA VAL 47 -25.701 -4.524 -7.721 1.00 34.33 2SAM 484 ATOM 354 C VAL 47 -26.243 -4.042 -6.399 1.00 30.20 2SAM 485 ATOM 355 O VAL 47 -26.953 -3.023 -6.299 1.00 25.46 2SAM 486 ATOM 356 CB VAL 47 -24.291 -3.864 -7.931 1.00 33.84 2SAM 487 ATOM 357 CG1 VAL 47 -23.648 -4.546 -9.127 1.00 37.08 2SAM 488 ATOM 358 CG2 VAL 47 -24.361 -2.388 -8.148 1.00 34.48 2SAM 489 ATOM 359 N GLY 48 -25.910 -4.906 -5.448 1.00 27.03 2SAM 490 ATOM 360 CA GLY 48 -26.269 -4.704 -4.068 1.00 30.82 2SAM 491 ATOM 361 C GLY 48 -25.119 -4.078 -3.305 1.00 31.45 2SAM 492 ATOM 362 O GLY 48 -23.937 -4.280 -3.621 1.00 28.53 2SAM 493 ATOM 363 N GLY 49 -25.551 -3.328 -2.288 1.00 39.75 2SAM 494 ATOM 364 CA GLY 49 -24.721 -2.644 -1.290 1.00 38.93 2SAM 495 ATOM 365 C GLY 49 -25.475 -2.664 0.052 1.00 39.69 2SAM 496 ATOM 366 O GLY 49 -26.428 -3.426 0.236 1.00 33.78 2SAM 497 ATOM 367 N ILE 50 -25.094 -1.810 1.006 1.00 41.82 2SAM 498 ATOM 368 CA ILE 50 -25.710 -1.714 2.338 1.00 39.35 2SAM 499 ATOM 369 C ILE 50 -27.219 -1.577 2.402 1.00 40.12 2SAM 500 ATOM 370 O ILE 50 -27.888 -2.428 2.992 1.00 43.75 2SAM 501 ATOM 371 CB ILE 50 -25.016 -0.516 3.124 1.00 40.89 2SAM 502 ATOM 372 CG1 ILE 50 -23.645 -1.015 3.575 1.00 37.27 2SAM 503 ATOM 373 CG2 ILE 50 -25.828 0.003 4.332 1.00 40.15 2SAM 504 ATOM 374 CD1 ILE 50 -23.709 -2.333 4.368 1.00 33.28 2SAM 505 ATOM 375 N GLY 51 -27.799 -0.528 1.832 1.00 37.66 2SAM 506 ATOM 376 CA GLY 51 -29.234 -0.369 1.994 1.00 38.30 2SAM 507 ATOM 377 C GLY 51 -30.089 -1.245 1.078 1.00 39.56 2SAM 508 ATOM 378 O GLY 51 -31.312 -1.107 1.103 1.00 40.87 2SAM 509 ATOM 379 N GLY 52 -29.529 -2.143 0.260 1.00 39.58 2SAM 510 ATOM 380 CA GLY 52 -30.283 -2.856 -0.751 1.00 34.32 2SAM 511 ATOM 381 C GLY 52 -29.509 -2.843 -2.080 1.00 36.17 2SAM 512 ATOM 382 O GLY 52 -28.282 -2.667 -2.149 1.00 33.64 2SAM 513 ATOM 383 N PHE 53 -30.247 -2.997 -3.173 1.00 33.53 2SAM 514 ATOM 384 CA PHE 53 -29.664 -3.097 -4.500 1.00 30.85 2SAM 515 ATOM 385 C PHE 53 -30.145 -1.965 -5.398 1.00 30.34 2SAM 516 ATOM 386 O PHE 53 -31.181 -1.350 -5.123 1.00 27.17 2SAM 517 ATOM 387 CB PHE 53 -30.027 -4.460 -5.153 1.00 22.14 2SAM 518 ATOM 388 CG PHE 53 -31.514 -4.755 -5.236 1.00 16.01 2SAM 519 ATOM 389 CD1 PHE 53 -32.307 -4.157 -6.176 1.00 21.50 2SAM 520 ATOM 390 CD2 PHE 53 -32.084 -5.603 -4.329 1.00 21.00 2SAM 521 ATOM 391 CE1 PHE 53 -33.661 -4.394 -6.207 1.00 22.84 2SAM 522 ATOM 392 CE2 PHE 53 -33.439 -5.840 -4.359 1.00 22.62 2SAM 523 ATOM 393 CZ PHE 53 -34.235 -5.236 -5.296 1.00 21.96 2SAM 524 ATOM 394 N ILE 54 -29.399 -1.770 -6.490 1.00 30.55 2SAM 525 ATOM 395 CA ILE 54 -29.705 -0.820 -7.549 1.00 30.10 2SAM 526 ATOM 396 C ILE 54 -29.524 -1.439 -8.935 1.00 30.45 2SAM 527 ATOM 397 O ILE 54 -28.692 -2.331 -9.131 1.00 24.66 2SAM 528 ATOM 398 CB ILE 54 -28.796 0.431 -7.521 1.00 27.12 2SAM 529 ATOM 399 CG1 ILE 54 -27.332 0.047 -7.324 1.00 17.53 2SAM 530 ATOM 400 CG2 ILE 54 -29.418 1.409 -6.492 1.00 29.17 2SAM 531 ATOM 401 CD1 ILE 54 -26.645 1.344 -7.703 1.00 12.74 2SAM 532 ATOM 402 N ASN 55 -30.285 -0.890 -9.882 1.00 29.08 2SAM 533 ATOM 403 CA ASN 55 -30.219 -1.214 -11.304 1.00 27.73 2SAM 534 ATOM 404 C ASN 55 -29.020 -0.567 -11.929 1.00 22.73 2SAM 535 ATOM 405 O ASN 55 -28.856 0.621 -11.671 1.00 28.17 2SAM 536 ATOM 406 CB ASN 55 -31.397 -0.675 -12.038 1.00 34.50 2SAM 537 ATOM 407 CG ASN 55 -32.648 -1.208 -11.412 1.00 41.57 2SAM 538 ATOM 408 OD1 ASN 55 -32.705 -2.363 -10.996 1.00 46.58 2SAM 539 ATOM 409 ND2 ASN 55 -33.679 -0.384 -11.265 1.00 48.00 2SAM 540 ATOM 410 N THR 56 -28.162 -1.195 -12.710 1.00 23.04 2SAM 541 ATOM 411 CA THR 56 -27.085 -0.478 -13.385 1.00 27.82 2SAM 542 ATOM 412 C THR 56 -27.027 -0.816 -14.877 1.00 23.06 2SAM 543 ATOM 413 O THR 56 -27.697 -1.718 -15.386 1.00 22.39 2SAM 544 ATOM 414 CB THR 56 -25.712 -0.791 -12.755 1.00 26.71 2SAM 545 ATOM 415 OG1 THR 56 -25.422 -2.181 -12.887 1.00 21.80 2SAM 546 ATOM 416 CG2 THR 56 -25.715 -0.304 -11.307 1.00 29.29 2SAM 547 ATOM 417 N LYS 57 -26.235 -0.049 -15.592 1.00 22.22 2SAM 548 ATOM 418 CA LYS 57 -25.982 -0.257 -16.998 1.00 16.28 2SAM 549 ATOM 419 C LYS 57 -24.536 -0.649 -17.106 1.00 10.82 2SAM 550 ATOM 420 O LYS 57 -23.704 0.207 -16.858 1.00 7.65 2SAM 551 ATOM 421 CB LYS 57 -26.187 1.018 -17.754 1.00 18.52 2SAM 552 ATOM 422 CG LYS 57 -27.653 1.361 -17.902 1.00 22.06 2SAM 553 ATOM 423 CD LYS 57 -27.708 2.711 -18.548 1.00 22.03 2SAM 554 ATOM 424 CE LYS 57 -29.175 2.962 -18.637 1.00 31.70 2SAM 555 ATOM 425 NZ LYS 57 -29.396 4.301 -19.145 1.00 43.03 2SAM 556 ATOM 426 N GLU 58 -24.190 -1.884 -17.453 1.00 13.48 2SAM 557 ATOM 427 CA GLU 58 -22.810 -2.267 -17.600 1.00 15.37 2SAM 558 ATOM 428 C GLU 58 -22.285 -1.980 -19.018 1.00 19.46 2SAM 559 ATOM 429 O GLU 58 -22.851 -2.452 -20.007 1.00 24.35 2SAM 560 ATOM 430 CB GLU 58 -22.728 -3.717 -17.261 1.00 15.09 2SAM 561 ATOM 431 CG GLU 58 -21.248 -4.067 -17.232 1.00 19.15 2SAM 562 ATOM 432 CD GLU 58 -21.039 -5.551 -17.434 1.00 26.59 2SAM 563 ATOM 433 OE1 GLU 58 -21.396 -6.102 -18.483 1.00 34.41 2SAM 564 ATOM 434 OE2 GLU 58 -20.528 -6.166 -16.513 1.00 35.19 2SAM 565 ATOM 435 N TYR 59 -21.164 -1.271 -19.113 1.00 18.06 2SAM 566 ATOM 436 CA TYR 59 -20.607 -0.790 -20.348 1.00 15.51 2SAM 567 ATOM 437 C TYR 59 -19.281 -1.452 -20.415 1.00 17.93 2SAM 568 ATOM 438 O TYR 59 -18.617 -1.334 -19.389 1.00 20.67 2SAM 569 ATOM 439 CB TYR 59 -20.388 0.714 -20.303 1.00 17.99 2SAM 570 ATOM 440 CG TYR 59 -21.682 1.487 -20.461 1.00 19.90 2SAM 571 ATOM 441 CD1 TYR 59 -22.275 1.545 -21.719 1.00 19.55 2SAM 572 ATOM 442 CD2 TYR 59 -22.292 2.060 -19.366 1.00 13.57 2SAM 573 ATOM 443 CE1 TYR 59 -23.494 2.169 -21.890 1.00 18.32 2SAM 574 ATOM 444 CE2 TYR 59 -23.511 2.673 -19.537 1.00 15.57 2SAM 575 ATOM 445 CZ TYR 59 -24.102 2.720 -20.793 1.00 18.68 2SAM 576 ATOM 446 OH TYR 59 -25.344 3.301 -20.949 1.00 22.30 2SAM 577 ATOM 447 N LYS 60 -18.798 -2.124 -21.486 1.00 19.61 2SAM 578 ATOM 448 CA LYS 60 -17.477 -2.732 -21.399 1.00 17.17 2SAM 579 ATOM 449 C LYS 60 -16.461 -1.929 -22.137 1.00 15.96 2SAM 580 ATOM 450 O LYS 60 -16.816 -1.066 -22.925 1.00 22.78 2SAM 581 ATOM 451 CB LYS 60 -17.407 -4.139 -21.963 1.00 20.49 2SAM 582 ATOM 452 CG LYS 60 -18.264 -5.187 -21.270 1.00 22.11 2SAM 583 ATOM 453 CD LYS 60 -17.565 -6.537 -21.385 1.00 28.52 2SAM 584 ATOM 454 CE LYS 60 -18.421 -7.690 -20.883 1.00 28.83 2SAM 585 ATOM 455 NZ LYS 60 -19.607 -7.804 -21.717 1.00 32.21 2SAM 586 ATOM 456 N ASN 61 -15.204 -2.207 -21.843 1.00 20.57 2SAM 587 ATOM 457 CA ASN 61 -14.062 -1.502 -22.417 1.00 26.32 2SAM 588 ATOM 458 C ASN 61 -14.162 0.017 -22.597 1.00 26.84 2SAM 589 ATOM 459 O ASN 61 -13.802 0.582 -23.624 1.00 31.37 2SAM 590 ATOM 460 CB ASN 61 -13.677 -2.158 -23.779 1.00 30.75 2SAM 591 ATOM 461 CG ASN 61 -13.068 -3.572 -23.689 1.00 33.32 2SAM 592 ATOM 462 OD1 ASN 61 -13.742 -4.602 -23.852 1.00 30.30 2SAM 593 ATOM 463 ND2 ASN 61 -11.765 -3.688 -23.409 1.00 29.22 2SAM 594 ATOM 464 N VAL 62 -14.581 0.732 -21.545 1.00 29.31 2SAM 595 ATOM 465 CA VAL 62 -14.665 2.197 -21.513 1.00 17.59 2SAM 596 ATOM 466 C VAL 62 -13.269 2.748 -21.331 1.00 17.66 2SAM 597 ATOM 467 O VAL 62 -12.403 2.070 -20.762 1.00 19.85 2SAM 598 ATOM 468 CB VAL 62 -15.570 2.558 -20.363 1.00 13.88 2SAM 599 ATOM 469 CG1 VAL 62 -15.635 4.052 -20.117 1.00 10.21 2SAM 600 ATOM 470 CG2 VAL 62 -16.948 2.058 -20.746 1.00 11.76 2SAM 601 ATOM 471 N GLU 63 -13.044 3.980 -21.751 1.00 20.02 2SAM 602 ATOM 472 CA GLU 63 -11.720 4.576 -21.699 1.00 26.00 2SAM 603 ATOM 473 C GLU 63 -11.624 5.504 -20.490 1.00 25.10 2SAM 604 ATOM 474 O GLU 63 -12.471 6.407 -20.355 1.00 16.97 2SAM 605 ATOM 475 CB GLU 63 -11.492 5.350 -22.972 1.00 32.86 2SAM 606 ATOM 476 CG GLU 63 -10.003 5.603 -23.096 1.00 51.15 2SAM 607 ATOM 477 CD GLU 63 -9.546 6.440 -24.283 1.00 59.74 2SAM 608 ATOM 478 OE1 GLU 63 -10.362 6.832 -25.125 1.00 65.84 2SAM 609 ATOM 479 OE2 GLU 63 -8.343 6.702 -24.352 1.00 65.65 2SAM 610 ATOM 480 N ILE 64 -10.566 5.304 -19.681 1.00 20.93 2SAM 611 ATOM 481 CA ILE 64 -10.437 5.926 -18.374 1.00 17.25 2SAM 612 ATOM 482 C ILE 64 -9.010 6.417 -18.206 1.00 22.78 2SAM 613 ATOM 483 O ILE 64 -8.018 5.706 -18.397 1.00 21.28 2SAM 614 ATOM 484 CB ILE 64 -10.753 4.902 -17.232 1.00 17.43 2SAM 615 ATOM 485 CG1 ILE 64 -12.174 4.364 -17.266 1.00 15.54 2SAM 616 ATOM 486 CG2 ILE 64 -10.574 5.619 -15.917 1.00 16.75 2SAM 617 ATOM 487 CD1 ILE 64 -12.277 2.894 -16.843 1.00 10.60 2SAM 618 ATOM 488 N GLU 65 -8.914 7.675 -17.810 1.00 22.05 2SAM 619 ATOM 489 CA GLU 65 -7.630 8.285 -17.559 1.00 23.95 2SAM 620 ATOM 490 C GLU 65 -7.665 8.639 -16.074 1.00 23.73 2SAM 621 ATOM 491 O GLU 65 -8.589 9.352 -15.635 1.00 23.86 2SAM 622 ATOM 492 CB GLU 65 -7.539 9.503 -18.423 1.00 24.65 2SAM 623 ATOM 493 CG GLU 65 -6.339 10.336 -18.042 1.00 34.10 2SAM 624 ATOM 494 CD GLU 65 -6.317 11.724 -18.648 1.00 40.48 2SAM 625 ATOM 495 OE1 GLU 65 -7.366 12.384 -18.760 1.00 40.94 2SAM 626 ATOM 496 OE2 GLU 65 -5.204 12.132 -18.991 1.00 45.97 2SAM 627 ATOM 497 N VAL 66 -6.699 8.191 -15.294 1.00 23.59 2SAM 628 ATOM 498 CA VAL 66 -6.681 8.372 -13.839 1.00 23.83 2SAM 629 ATOM 499 C VAL 66 -5.253 8.118 -13.394 1.00 22.77 2SAM 630 ATOM 500 O VAL 66 -4.576 7.264 -13.942 1.00 26.16 2SAM 631 ATOM 501 CB VAL 66 -7.685 7.356 -13.175 1.00 22.89 2SAM 632 ATOM 502 CG1 VAL 66 -7.258 5.916 -13.425 1.00 22.42 2SAM 633 ATOM 503 CG2 VAL 66 -7.783 7.631 -11.709 1.00 17.62 2SAM 634 ATOM 504 N LEU 67 -4.711 8.878 -12.466 1.00 26.11 2SAM 635 ATOM 505 CA LEU 67 -3.350 8.697 -11.943 1.00 25.28 2SAM 636 ATOM 506 C LEU 67 -2.220 8.557 -12.976 1.00 23.89 2SAM 637 ATOM 507 O LEU 67 -1.241 7.820 -12.832 1.00 22.68 2SAM 638 ATOM 508 CB LEU 67 -3.366 7.492 -10.974 1.00 23.53 2SAM 639 ATOM 509 CG LEU 67 -4.279 7.585 -9.732 1.00 24.50 2SAM 640 ATOM 510 CD1 LEU 67 -4.424 6.190 -9.188 1.00 23.21 2SAM 641 ATOM 511 CD2 LEU 67 -3.729 8.538 -8.658 1.00 27.05 2SAM 642 ATOM 512 N GLY 68 -2.360 9.390 -14.014 1.00 24.85 2SAM 643 ATOM 513 CA GLY 68 -1.438 9.406 -15.140 1.00 29.39 2SAM 644 ATOM 514 C GLY 68 -1.470 8.103 -15.954 1.00 34.61 2SAM 645 ATOM 515 O GLY 68 -0.412 7.647 -16.407 1.00 38.36 2SAM 646 ATOM 516 N LYS 69 -2.610 7.407 -16.100 1.00 31.66 2SAM 647 ATOM 517 CA LYS 69 -2.648 6.241 -16.944 1.00 31.36 2SAM 648 ATOM 518 C LYS 69 -4.005 6.192 -17.542 1.00 28.44 2SAM 649 ATOM 519 O LYS 69 -4.950 6.813 -17.061 1.00 26.46 2SAM 650 ATOM 520 CB LYS 69 -2.398 4.946 -16.198 1.00 38.90 2SAM 651 ATOM 521 CG LYS 69 -3.099 4.665 -14.867 1.00 46.86 2SAM 652 ATOM 522 CD LYS 69 -2.089 4.556 -13.716 1.00 48.74 2SAM 653 ATOM 523 CE LYS 69 -1.053 3.473 -13.986 1.00 49.86 2SAM 654 ATOM 524 NZ LYS 69 -0.108 3.399 -12.895 1.00 55.04 2SAM 655 ATOM 525 N ARG 70 -3.979 5.557 -18.704 1.00 30.33 2SAM 656 ATOM 526 CA ARG 70 -5.144 5.402 -19.553 1.00 26.09 2SAM 657 ATOM 527 C ARG 70 -5.245 3.899 -19.623 1.00 23.60 2SAM 658 ATOM 528 O ARG 70 -4.294 3.199 -19.979 1.00 21.55 2SAM 659 ATOM 529 CB ARG 70 -4.893 5.980 -20.950 1.00 24.45 2SAM 660 ATOM 530 N ILE 71 -6.375 3.440 -19.118 1.00 22.06 2SAM 661 ATOM 531 CA ILE 71 -6.717 2.047 -19.012 1.00 23.06 2SAM 662 ATOM 532 C ILE 71 -8.094 1.993 -19.665 1.00 22.98 2SAM 663 ATOM 533 O ILE 71 -8.724 3.024 -19.958 1.00 23.12 2SAM 664 ATOM 534 CB ILE 71 -6.836 1.514 -17.496 1.00 25.75 2SAM 665 ATOM 535 CG1 ILE 71 -7.732 2.425 -16.692 1.00 23.46 2SAM 666 ATOM 536 CG2 ILE 71 -5.466 1.459 -16.798 1.00 25.62 2SAM 667 ATOM 537 CD1 ILE 71 -8.433 1.663 -15.579 1.00 22.55 2SAM 668 ATOM 538 N LYS 72 -8.525 0.767 -19.921 1.00 19.20 2SAM 669 ATOM 539 CA LYS 72 -9.837 0.507 -20.443 1.00 24.28 2SAM 670 ATOM 540 C LYS 72 -10.478 -0.462 -19.431 1.00 22.66 2SAM 671 ATOM 541 O LYS 72 -9.741 -1.315 -18.900 1.00 22.32 2SAM 672 ATOM 542 CB LYS 72 -9.704 -0.132 -21.828 1.00 24.00 2SAM 673 ATOM 543 N GLY 73 -11.766 -0.382 -19.054 1.00 14.42 2SAM 674 ATOM 544 CA GLY 73 -12.301 -1.394 -18.152 1.00 6.81 2SAM 675 ATOM 545 C GLY 73 -13.813 -1.328 -18.175 1.00 10.35 2SAM 676 ATOM 546 O GLY 73 -14.408 -0.568 -18.954 1.00 8.73 2SAM 677 ATOM 547 N THR 74 -14.477 -2.175 -17.406 1.00 10.51 2SAM 678 ATOM 548 CA THR 74 -15.919 -2.130 -17.321 1.00 14.33 2SAM 679 ATOM 549 C THR 74 -16.318 -1.046 -16.303 1.00 21.04 2SAM 680 ATOM 550 O THR 74 -15.714 -0.962 -15.221 1.00 19.74 2SAM 681 ATOM 551 CB THR 74 -16.340 -3.503 -16.890 1.00 15.93 2SAM 682 ATOM 552 OG1 THR 74 -15.658 -4.421 -17.722 1.00 18.28 2SAM 683 ATOM 553 CG2 THR 74 -17.803 -3.739 -17.028 1.00 13.18 2SAM 684 ATOM 554 N ILE 75 -17.312 -0.207 -16.634 1.00 20.41 2SAM 685 ATOM 555 CA ILE 75 -17.853 0.806 -15.748 1.00 18.12 2SAM 686 ATOM 556 C ILE 75 -19.352 0.540 -15.780 1.00 18.89 2SAM 687 ATOM 557 O ILE 75 -19.879 0.078 -16.795 1.00 21.09 2SAM 688 ATOM 558 CB ILE 75 -17.575 2.237 -16.277 1.00 19.72 2SAM 689 ATOM 559 CG1 ILE 75 -16.102 2.595 -16.197 1.00 24.19 2SAM 690 ATOM 560 CG2 ILE 75 -18.355 3.239 -15.443 1.00 21.85 2SAM 691 ATOM 561 CD1 ILE 75 -15.559 3.062 -14.836 1.00 26.14 2SAM 692 ATOM 562 N MET 76 -20.081 0.769 -14.688 1.00 18.72 2SAM 693 ATOM 563 CA MET 76 -21.539 0.680 -14.708 1.00 11.50 2SAM 694 ATOM 564 C MET 76 -21.972 2.091 -14.395 1.00 15.21 2SAM 695 ATOM 565 O MET 76 -21.190 2.894 -13.862 1.00 12.86 2SAM 696 ATOM 566 CB MET 76 -22.142 -0.184 -13.630 1.00 18.04 2SAM 697 ATOM 567 CG MET 76 -21.543 -1.551 -13.658 1.00 24.99 2SAM 698 ATOM 568 SD MET 76 -22.420 -2.602 -12.507 1.00 33.73 2SAM 699 ATOM 569 CE MET 76 -21.637 -4.155 -12.835 1.00 22.12 2SAM 700 ATOM 570 N THR 77 -23.146 2.480 -14.838 1.00 11.54 2SAM 701 ATOM 571 CA THR 77 -23.664 3.748 -14.421 1.00 17.74 2SAM 702 ATOM 572 C THR 77 -25.008 3.349 -13.767 1.00 22.22 2SAM 703 ATOM 573 O THR 77 -25.645 2.316 -14.095 1.00 18.04 2SAM 704 ATOM 574 CB THR 77 -23.894 4.748 -15.624 1.00 17.34 2SAM 705 ATOM 575 OG1 THR 77 -24.900 4.212 -16.478 1.00 20.05 2SAM 706 ATOM 576 CG2 THR 77 -22.614 5.034 -16.366 1.00 10.40 2SAM 707 ATOM 577 N GLY 78 -25.407 4.149 -12.792 1.00 19.29 2SAM 708 ATOM 578 CA GLY 78 -26.640 3.922 -12.083 1.00 27.73 2SAM 709 ATOM 579 C GLY 78 -26.656 4.916 -10.951 1.00 30.15 2SAM 710 ATOM 580 O GLY 78 -25.673 5.618 -10.691 1.00 31.69 2SAM 711 ATOM 581 N ASP 79 -27.771 4.937 -10.244 1.00 33.10 2SAM 712 ATOM 582 CA ASP 79 -28.069 5.927 -9.220 1.00 35.35 2SAM 713 ATOM 583 C ASP 79 -27.360 5.702 -7.896 1.00 31.75 2SAM 714 ATOM 584 O ASP 79 -27.954 5.397 -6.874 1.00 31.58 2SAM 715 ATOM 585 CB ASP 79 -29.588 5.907 -9.103 1.00 46.93 2SAM 716 ATOM 586 CG ASP 79 -30.268 6.913 -8.189 1.00 57.29 2SAM 717 ATOM 587 OD1 ASP 79 -29.798 8.062 -8.089 1.00 62.91 2SAM 718 ATOM 588 OD2 ASP 79 -31.285 6.515 -7.595 1.00 63.00 2SAM 719 ATOM 589 N THR 80 -26.054 5.788 -7.943 1.00 24.07 2SAM 720 ATOM 590 CA THR 80 -25.235 5.598 -6.792 1.00 23.21 2SAM 721 ATOM 591 C THR 80 -25.243 7.006 -6.216 1.00 32.07 2SAM 722 ATOM 592 O THR 80 -25.377 7.990 -6.954 1.00 33.85 2SAM 723 ATOM 593 CB THR 80 -23.845 5.121 -7.258 1.00 19.86 2SAM 724 ATOM 594 OG1 THR 80 -23.092 4.939 -6.097 1.00 18.75 2SAM 725 ATOM 595 CG2 THR 80 -23.107 6.093 -8.124 1.00 18.49 2SAM 726 ATOM 596 N PRO 81 -25.210 7.144 -4.890 1.00 36.85 2SAM 727 ATOM 597 CA PRO 81 -24.957 8.399 -4.210 1.00 31.37 2SAM 728 ATOM 598 C PRO 81 -23.497 8.765 -4.263 1.00 30.69 2SAM 729 ATOM 599 O PRO 81 -23.194 9.954 -4.095 1.00 33.88 2SAM 730 ATOM 600 CB PRO 81 -25.468 8.165 -2.823 1.00 36.43 2SAM 731 ATOM 601 CG PRO 81 -25.231 6.688 -2.612 1.00 39.60 2SAM 732 ATOM 602 CD PRO 81 -25.666 6.126 -3.945 1.00 38.63 2SAM 733 ATOM 603 N ILE 82 -22.574 7.791 -4.431 1.00 27.60 2SAM 734 ATOM 604 CA ILE 82 -21.158 8.125 -4.587 1.00 26.17 2SAM 735 ATOM 605 C ILE 82 -20.521 7.300 -5.711 1.00 23.26 2SAM 736 ATOM 606 O ILE 82 -20.767 6.113 -5.911 1.00 28.07 2SAM 737 ATOM 607 CB ILE 82 -20.330 7.877 -3.305 1.00 29.63 2SAM 738 ATOM 608 CG1 ILE 82 -20.941 8.557 -2.103 1.00 36.41 2SAM 739 ATOM 609 CG2 ILE 82 -18.967 8.547 -3.468 1.00 31.37 2SAM 740 ATOM 610 CD1 ILE 82 -20.000 8.575 -0.900 1.00 43.36 2SAM 741 ATOM 611 N ASN 83 -19.648 7.924 -6.465 1.00 14.82 2SAM 742 ATOM 612 CA ASN 83 -19.015 7.278 -7.553 1.00 12.14 2SAM 743 ATOM 613 C ASN 83 -17.882 6.472 -6.992 1.00 10.21 2SAM 744 ATOM 614 O ASN 83 -17.006 7.044 -6.323 1.00 7.97 2SAM 745 ATOM 615 CB ASN 83 -18.419 8.277 -8.527 1.00 20.37 2SAM 746 ATOM 616 CG ASN 83 -19.369 9.283 -9.129 1.00 19.29 2SAM 747 ATOM 617 OD1 ASN 83 -20.553 9.044 -9.351 1.00 18.46 2SAM 748 ATOM 618 ND2 ASN 83 -18.846 10.452 -9.400 1.00 19.64 2SAM 749 ATOM 619 N ILE 84 -17.823 5.175 -7.249 1.00 13.40 2SAM 750 ATOM 620 CA ILE 84 -16.651 4.433 -6.838 1.00 18.84 2SAM 751 ATOM 621 C ILE 84 -15.925 3.654 -7.942 1.00 15.13 2SAM 752 ATOM 622 O ILE 84 -16.550 3.198 -8.905 1.00 17.14 2SAM 753 ATOM 623 CB ILE 84 -17.019 3.436 -5.692 1.00 24.16 2SAM 754 ATOM 624 CG1 ILE 84 -17.938 2.294 -6.120 1.00 21.82 2SAM 755 ATOM 625 CG2 ILE 84 -17.726 4.266 -4.606 1.00 30.09 2SAM 756 ATOM 626 CD1 ILE 84 -19.414 2.685 -6.311 1.00 26.20 2SAM 757 ATOM 627 N PHE 85 -14.602 3.515 -7.814 1.00 8.25 2SAM 758 ATOM 628 CA PHE 85 -13.796 2.612 -8.612 1.00 13.36 2SAM 759 ATOM 629 C PHE 85 -13.563 1.368 -7.750 1.00 17.42 2SAM 760 ATOM 630 O PHE 85 -12.837 1.434 -6.759 1.00 17.87 2SAM 761 ATOM 631 CB PHE 85 -12.405 3.196 -9.008 1.00 8.56 2SAM 762 ATOM 632 CG PHE 85 -12.490 4.116 -10.225 1.00 10.33 2SAM 763 ATOM 633 CD1 PHE 85 -13.726 4.539 -10.743 1.00 9.56 2SAM 764 ATOM 634 CD2 PHE 85 -11.329 4.562 -10.811 1.00 11.60 2SAM 765 ATOM 635 CE1 PHE 85 -13.808 5.395 -11.821 1.00 10.71 2SAM 766 ATOM 636 CE2 PHE 85 -11.419 5.425 -11.903 1.00 14.40 2SAM 767 ATOM 637 CZ PHE 85 -12.638 5.840 -12.400 1.00 9.29 2SAM 768 ATOM 638 N GLY 86 -14.203 0.255 -8.104 1.00 16.13 2SAM 769 ATOM 639 CA GLY 86 -14.080 -0.995 -7.420 1.00 7.49 2SAM 770 ATOM 640 C GLY 86 -12.744 -1.615 -7.748 1.00 12.09 2SAM 771 ATOM 641 O GLY 86 -11.870 -1.036 -8.410 1.00 12.89 2SAM 772 ATOM 642 N ARG 87 -12.601 -2.857 -7.287 1.00 14.73 2SAM 773 ATOM 643 CA ARG 87 -11.397 -3.657 -7.442 1.00 19.26 2SAM 774 ATOM 644 C ARG 87 -11.110 -4.029 -8.888 1.00 19.09 2SAM 775 ATOM 645 O ARG 87 -9.962 -4.297 -9.231 1.00 15.05 2SAM 776 ATOM 646 CB ARG 87 -11.506 -4.947 -6.632 1.00 19.85 2SAM 777 ATOM 647 CG ARG 87 -11.291 -4.908 -5.110 1.00 15.99 2SAM 778 ATOM 648 CD ARG 87 -11.096 -6.340 -4.549 1.00 6.37 2SAM 779 ATOM 649 NE ARG 87 -12.289 -7.099 -4.854 1.00 13.70 2SAM 780 ATOM 650 CZ ARG 87 -12.326 -8.192 -5.636 1.00 10.77 2SAM 781 ATOM 651 NH1 ARG 87 -11.239 -8.740 -6.174 1.00 13.87 2SAM 782 ATOM 652 NH2 ARG 87 -13.496 -8.773 -5.837 1.00 5.98 2SAM 783 ATOM 653 N ASN 88 -12.145 -4.006 -9.738 1.00 22.27 2SAM 784 ATOM 654 CA ASN 88 -11.989 -4.305 -11.161 1.00 20.43 2SAM 785 ATOM 655 C ASN 88 -11.056 -3.272 -11.696 1.00 19.30 2SAM 786 ATOM 656 O ASN 88 -10.056 -3.681 -12.275 1.00 15.81 2SAM 787 ATOM 657 CB ASN 88 -13.329 -4.265 -11.918 1.00 17.17 2SAM 788 ATOM 658 CG ASN 88 -14.088 -2.964 -11.979 1.00 20.30 2SAM 789 ATOM 659 OD1 ASN 88 -14.231 -2.269 -10.977 1.00 16.05 2SAM 790 ATOM 660 ND2 ASN 88 -14.584 -2.599 -13.149 1.00 18.96 2SAM 791 ATOM 661 N LEU 89 -11.264 -1.981 -11.398 1.00 15.83 2SAM 792 ATOM 662 CA LEU 89 -10.277 -0.995 -11.812 1.00 14.81 2SAM 793 ATOM 663 C LEU 89 -9.020 -0.845 -10.945 1.00 15.37 2SAM 794 ATOM 664 O LEU 89 -7.900 -0.708 -11.471 1.00 17.44 2SAM 795 ATOM 665 CB LEU 89 -10.957 0.390 -11.967 1.00 17.92 2SAM 796 ATOM 666 CG LEU 89 -12.126 0.542 -12.973 1.00 21.70 2SAM 797 ATOM 667 CD1 LEU 89 -12.294 1.991 -13.229 1.00 19.94 2SAM 798 ATOM 668 CD2 LEU 89 -11.863 -0.132 -14.336 1.00 17.17 2SAM 799 ATOM 669 N LEU 90 -9.079 -0.888 -9.612 1.00 15.74 2SAM 800 ATOM 670 CA LEU 90 -7.900 -0.720 -8.767 1.00 7.75 2SAM 801 ATOM 671 C LEU 90 -6.814 -1.683 -9.125 1.00 8.62 2SAM 802 ATOM 672 O LEU 90 -5.644 -1.361 -8.964 1.00 12.21 2SAM 803 ATOM 673 CB LEU 90 -8.224 -0.928 -7.284 1.00 12.58 2SAM 804 ATOM 674 CG LEU 90 -9.297 -0.119 -6.590 1.00 11.99 2SAM 805 ATOM 675 CD1 LEU 90 -9.064 -0.217 -5.110 1.00 13.63 2SAM 806 ATOM 676 CD2 LEU 90 -9.220 1.340 -6.933 1.00 12.15 2SAM 807 ATOM 677 N THR 91 -7.165 -2.879 -9.601 1.00 16.45 2SAM 808 ATOM 678 CA THR 91 -6.171 -3.847 -10.066 1.00 21.10 2SAM 809 ATOM 679 C THR 91 -5.530 -3.431 -11.386 1.00 16.36 2SAM 810 ATOM 680 O THR 91 -4.337 -3.619 -11.613 1.00 18.84 2SAM 811 ATOM 681 CB THR 91 -6.821 -5.204 -10.238 1.00 20.60 2SAM 812 ATOM 682 OG1 THR 91 -7.890 -4.923 -11.139 1.00 24.03 2SAM 813 ATOM 683 CG2 THR 91 -7.242 -5.888 -8.900 1.00 19.82 2SAM 814 ATOM 684 N ALA 92 -6.329 -2.824 -12.249 1.00 19.37 2SAM 815 ATOM 685 CA ALA 92 -5.831 -2.283 -13.502 1.00 18.27 2SAM 816 ATOM 686 C ALA 92 -4.833 -1.227 -13.153 1.00 19.25 2SAM 817 ATOM 687 O ALA 92 -3.895 -1.089 -13.920 1.00 30.67 2SAM 818 ATOM 688 CB ALA 92 -6.915 -1.607 -14.328 1.00 14.70 2SAM 819 ATOM 689 N LEU 93 -4.972 -0.499 -12.030 1.00 20.51 2SAM 820 ATOM 690 CA LEU 93 -4.021 0.545 -11.651 1.00 13.26 2SAM 821 ATOM 691 C LEU 93 -2.873 0.096 -10.774 1.00 14.31 2SAM 822 ATOM 692 O LEU 93 -2.026 0.905 -10.379 1.00 18.60 2SAM 823 ATOM 693 CB LEU 93 -4.739 1.665 -10.950 1.00 10.69 2SAM 824 ATOM 694 CG LEU 93 -5.979 2.162 -11.704 1.00 15.81 2SAM 825 ATOM 695 CD1 LEU 93 -6.798 3.175 -10.883 1.00 13.89 2SAM 826 ATOM 696 CD2 LEU 93 -5.493 2.797 -12.984 1.00 18.28 2SAM 827 ATOM 697 N GLY 94 -2.760 -1.189 -10.459 1.00 18.17 2SAM 828 ATOM 698 CA GLY 94 -1.641 -1.670 -9.636 1.00 18.13 2SAM 829 ATOM 699 C GLY 94 -1.731 -1.213 -8.176 1.00 22.19 2SAM 830 ATOM 700 O GLY 94 -0.722 -0.960 -7.507 1.00 23.73 2SAM 831 ATOM 701 N MET 95 -2.943 -1.086 -7.644 1.00 18.83 2SAM 832 ATOM 702 CA MET 95 -3.069 -0.674 -6.265 1.00 23.43 2SAM 833 ATOM 703 C MET 95 -3.102 -1.840 -5.308 1.00 24.38 2SAM 834 ATOM 704 O MET 95 -3.747 -2.861 -5.577 1.00 25.82 2SAM 835 ATOM 705 CB MET 95 -4.323 0.138 -6.068 1.00 26.92 2SAM 836 ATOM 706 CG MET 95 -4.211 1.320 -6.973 1.00 26.32 2SAM 837 ATOM 707 SD MET 95 -5.132 2.759 -6.443 1.00 33.14 2SAM 838 ATOM 708 CE MET 95 -3.663 3.751 -6.353 1.00 27.85 2SAM 839 ATOM 709 N SER 96 -2.342 -1.709 -4.221 1.00 24.60 2SAM 840 ATOM 710 CA SER 96 -2.423 -2.666 -3.135 1.00 21.45 2SAM 841 ATOM 711 C SER 96 -2.732 -1.938 -1.815 1.00 21.74 2SAM 842 ATOM 712 O SER 96 -2.644 -0.711 -1.659 1.00 18.05 2SAM 843 ATOM 713 CB SER 96 -1.122 -3.440 -3.054 1.00 11.74 2SAM 844 ATOM 714 OG SER 96 0.011 -2.602 -3.115 1.00 18.45 2SAM 845 ATOM 715 N LEU 97 -3.298 -2.725 -0.914 1.00 20.49 2SAM 846 ATOM 716 CA LEU 97 -3.596 -2.291 0.422 1.00 25.27 2SAM 847 ATOM 717 C LEU 97 -2.348 -2.757 1.185 1.00 27.46 2SAM 848 ATOM 718 O LEU 97 -1.988 -3.938 1.178 1.00 32.39 2SAM 849 ATOM 719 CB LEU 97 -4.852 -2.996 0.829 1.00 22.12 2SAM 850 ATOM 720 CG LEU 97 -5.630 -2.504 2.022 1.00 21.74 2SAM 851 ATOM 721 CD1 LEU 97 -5.887 -1.016 1.877 1.00 19.50 2SAM 852 ATOM 722 CD2 LEU 97 -6.970 -3.269 2.117 1.00 20.81 2SAM 853 ATOM 723 N ASN 98 -1.638 -1.822 1.801 1.00 27.72 2SAM 854 ATOM 724 CA ASN 98 -0.398 -2.108 2.484 1.00 27.57 2SAM 855 ATOM 725 C ASN 98 -0.420 -1.738 3.957 1.00 28.96 2SAM 856 ATOM 726 O ASN 98 -1.070 -0.773 4.367 1.00 29.05 2SAM 857 ATOM 727 CB ASN 98 0.728 -1.358 1.778 1.00 34.08 2SAM 858 ATOM 728 CG ASN 98 1.224 -2.096 0.537 1.00 34.48 2SAM 859 ATOM 729 OD1 ASN 98 0.464 -2.602 -0.290 1.00 38.54 2SAM 860 ATOM 730 ND2 ASN 98 2.529 -2.248 0.360 1.00 35.35 2SAM 861 ATOM 731 N PHE 99 0.279 -2.530 4.755 1.00 27.08 2SAM 862 ATOM 732 CA PHE 99 0.410 -2.344 6.181 1.00 31.77 2SAM 863 ATOM 733 C PHE 99 1.765 -2.944 6.586 1.00 37.66 2SAM 864 ATOM 734 O PHE 99 2.580 -3.321 5.726 1.00 47.35 2SAM 865 ATOM 735 CB PHE 99 -0.748 -3.041 6.926 1.00 23.15 2SAM 866 ATOM 736 CG PHE 99 -0.790 -4.543 6.783 1.00 22.47 2SAM 867 ATOM 737 CD1 PHE 99 -1.405 -5.112 5.691 1.00 24.26 2SAM 868 ATOM 738 CD2 PHE 99 -0.221 -5.335 7.743 1.00 23.80 2SAM 869 ATOM 739 CE1 PHE 99 -1.453 -6.478 5.564 1.00 24.89 2SAM 870 ATOM 740 CE2 PHE 99 -0.271 -6.705 7.606 1.00 28.51 2SAM 871 ATOM 741 CZ PHE 99 -0.888 -7.282 6.519 1.00 25.77 2SAM 872 ATOM 742 OXT PHE 99 2.027 -3.004 7.777 1.00 43.75 2SAM 873 TER 743 PHE 99 2SAM 874 HETATM 744 C1 EPN 101 -18.375 -0.440 -1.146 0.50 7.82 2SAM 875 HETATM 745 O17 EPN 101 -19.682 -0.936 -1.493 0.50 13.35 2SAM 876 HETATM 746 C2 EPN 101 -18.049 0.897 -1.777 0.50 7.50 1 2SAM 877 HETATM 747 C3 EPN 101 -19.041 2.030 -1.507 0.50 9.92 2SAM 878 HETATM 748 O18 EPN 101 -18.971 2.957 -0.479 0.50 11.96 2SAM 879 HETATM 749 C4 EPN 101 -22.048 5.080 -0.392 0.50 17.34 2SAM 880 HETATM 750 C5 EPN 101 -21.662 6.074 0.516 0.50 17.32 2SAM 881 HETATM 751 N11 EPN 101 -22.569 7.231 0.914 0.50 16.98 2SAM 882 HETATM 752 O14 EPN 101 -23.657 7.245 0.410 0.50 16.03 2SAM 883 HETATM 753 O16 EPN 101 -22.088 8.002 1.699 0.50 19.47 2SAM 884 HETATM 754 C6 EPN 101 -20.383 5.977 1.045 0.50 14.67 2SAM 885 HETATM 755 C7 EPN 101 -19.536 4.961 0.691 0.50 14.23 2SAM 886 HETATM 756 C8 EPN 101 -19.934 3.988 -0.191 0.50 13.30 2SAM 887 HETATM 757 C9 EPN 101 -21.193 4.036 -0.742 0.50 15.26 2SAM 888 HETATM 758 O HOH 301 -22.909 0.000 0.000 0.50 7.77 2SAM 889 HETATM 759 O HOH 302 -14.172 -6.128 -2.531 1.00 29.43 2SAM 890 HETATM 760 O HOH 303 -3.224 5.184 6.657 1.00 35.50 2SAM 891 HETATM 761 O HOH 304 -17.370 -2.427 -13.290 1.00 15.28 2SAM 892 HETATM 762 O HOH 305 -12.668 -4.084 -15.781 1.00 29.27 2SAM 893 HETATM 763 O HOH 306 -7.223 9.326 1.392 1.00 18.96 2SAM 894 HETATM 764 O HOH 308 -15.672 -6.083 -14.574 1.00 44.39 2SAM 895 HETATM 765 O HOH 309 -17.976 14.141 -10.129 1.00 72.61 2SAM 896 HETATM 766 O HOH 310 -7.387 14.127 -9.050 1.00 28.71 2SAM 897 HETATM 767 O HOH 311 -17.438 15.640 -1.589 1.00 54.30 2SAM 898 HETATM 768 O HOH 312 -10.930 9.765 -21.040 1.00 32.11 2SAM 899 HETATM 769 O HOH 313 -23.901 -7.191 -6.188 1.00 42.73 2SAM 900 HETATM 770 O HOH 314 0.501 6.122 -11.806 1.00 33.71 2SAM 901 HETATM 771 O HOH 315 -27.508 4.785 -15.877 1.00 25.36 2SAM 902 HETATM 772 O HOH 316 -5.342 11.029 4.341 1.00 41.92 2SAM 903 HETATM 773 O HOH 317 -16.238 13.866 2.599 1.00 51.93 2SAM 904 HETATM 774 O HOH 318 -5.568 8.700 -22.842 1.00 44.82 2SAM 905 HETATM 775 O HOH 319 -27.319 11.236 -13.108 1.00 71.58 2SAM 906 HETATM 776 O HOH 320 -32.271 1.997 -9.186 1.00 38.88 2SAM 907 HETATM 777 O HOH 321 -13.548 -7.285 -9.473 1.00 28.21 2SAM 908 HETATM 778 O HOH 322 3.750 1.754 -13.250 1.00 53.01 2SAM 909 HETATM 779 O HOH 323 -16.995 -11.809 -6.369 1.00 60.77 2SAM 910 HETATM 780 O HOH 324 -9.471 14.814 -6.709 1.00 34.51 2SAM 911 HETATM 781 O HOH 325 -10.866 -7.753 -9.705 1.00 30.94 2SAM 912 CONECT 202 200 746 2SAM 913 CONECT 744 745 746 2SAM 914 CONECT 745 744 2SAM 915 CONECT 746 202 744 747 2SAM 916 CONECT 747 746 748 2SAM 917 CONECT 748 747 756 2SAM 918 CONECT 749 750 757 2SAM 919 CONECT 750 749 751 754 2SAM 920 CONECT 751 750 752 753 2SAM 921 CONECT 752 751 2SAM 922 CONECT 753 751 2SAM 923 CONECT 754 750 755 2SAM 924 CONECT 755 754 756 2SAM 925 CONECT 756 748 755 757 2SAM 926 CONECT 757 749 756 2SAM 927 MASTER 87 2 1 1 11 4 0 6 780 1 15 8 2SAM 928 END 2SAM 929