HEADER HYDROLASE(ACID PROTEINASE) 13-APR-94 1SIP 1SIP 2 COMPND SIMIAN IMMUNODEFICIENCY VIRUS (SIV) PROTEINASE 1SIP 3 COMPND 2 (SIV MAC251-32H ISOLATE) (E.C.3.4.23.-) 1SIP 4 SOURCE SIMIAN IMMUNODEFICIENCY VIRUS (MAC251-32H ISOLATE) EXPRESSED 1SIP 5 SOURCE 2 IN (ESCHERICHIA COLI) 1SIP 6 AUTHOR A.F.WILDERSPIN 1SIP 7 REVDAT 1 31-AUG-94 1SIP 0 1SIP 8 JRNL AUTH A.F.WILDERSPIN,R.J.SUGRUE 1SIP 9 JRNL TITL ALTERNATIVE NATIVE FLAP CONFORMATION REVEALED BY 1SIP 10 JRNL TITL 2 2.3 ANGSTROMS RESOLUTION STRUCTURE OF SIV 1SIP 11 JRNL TITL 3 PROTEINASE 1SIP 12 JRNL REF J.MOL.BIOL. V. 239 97 1994 1SIP 13 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 0070 1SIP 14 REMARK 1 1SIP 15 REMARK 1 REFERENCE 1 1SIP 16 REMARK 1 AUTH R.J.SUGRUE,N.ALMOND,P.KITCHIN,S.M.H.RICHARDSON, 1SIP 17 REMARK 1 AUTH 2 A.F.WILDERSPIN 1SIP 18 REMARK 1 TITL PURIFICATION OF CRYSTALLIZABLE RECOMBINANT 1SIP 19 REMARK 1 TITL 2 SIVMAC251-32H PROTEINASE 1SIP 20 REMARK 1 REF PROTEIN EXPRESSION PURIF. V. 5 76 1994 1SIP 21 REMARK 1 REFN ASTM PEXPEJ US ISSN 1046-5928 0757 1SIP 22 REMARK 1 REFERENCE 2 1SIP 23 REMARK 1 AUTH A.F.WILDERSPIN,R.J.SUGRUE 1SIP 24 REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY INVESTIGATION 1SIP 25 REMARK 1 TITL 2 OF RECOMBINANT SIMIAN IMMUNODEFICIENCY VIRUS 1SIP 26 REMARK 1 TITL 3 PROTEINASE 1SIP 27 REMARK 1 REF J.MOL.BIOL. V. 231 1139 1993 1SIP 28 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 0070 1SIP 29 REMARK 2 1SIP 30 REMARK 2 RESOLUTION. 2.3 ANGSTROMS. 1SIP 31 REMARK 3 1SIP 32 REMARK 3 REFINEMENT. 1SIP 33 REMARK 3 PROGRAM 1 RESTRAIN 1SIP 34 REMARK 3 AUTHORS 1 MOSS,DRIESSEN,HANEEF,HOWLIN, 1SIP 35 REMARK 3 AUTHORS 1 HARRIS 1SIP 36 REMARK 3 PROGRAM 2 FRODO 1SIP 37 REMARK 3 AUTHORS 2 JONES 1SIP 38 REMARK 3 R VALUE 0.17 1SIP 39 REMARK 3 RMSD BOND DISTANCES 0.018 ANGSTROMS 1SIP 40 REMARK 3 1SIP 41 REMARK 3 NUMBER OF REFLECTIONS 4457 1SIP 42 REMARK 3 RESOLUTION RANGE 8.0 - 2.30 ANGSTROMS 1SIP 43 REMARK 3 DATA CUTOFF 0.0 SIGMA(F) 1SIP 44 REMARK 3 PERCENT COMPLETION 97.7 1SIP 45 REMARK 3 1SIP 46 REMARK 3 THE 8.0 ANGSTROMS RESOLUTION CUTOFF REDUCED THE 1SIP 47 REMARK 3 NUMBER OF REFLECTIONS USED TO 4341 AND THIS MAY REDUCE THE 1SIP 48 REMARK 3 PERCENT COMPLETION BY ABOUT 3 %. 1SIP 49 REMARK 3 1SIP 50 REMARK 3 NUMBER OF PROTEIN ATOMS 760 1SIP 51 REMARK 3 NUMBER OF SOLVENT ATOMS 40 1SIP 52 REMARK 4 1SIP 53 REMARK 4 THE SIV PROTEINASE IS A DIMER. IN THE CRYSTAL THE TWO 1SIP 54 REMARK 4 MONOMERS ARE RELATED BY A CRYSTALLOGRAPHIC TWO-FOLD AXIS. 1SIP 55 REMARK 4 TO GENERATE THE SYMMETRY-RELATED MONOMER, THE FOLLOWING 1SIP 56 REMARK 4 TRANSFORMATION MUST BE APPLIED TO THE COORDINATES PRESENTED 1SIP 57 REMARK 4 IN THIS ENTRY. 1SIP 58 REMARK 4 1SIP 59 REMARK 4 -1.0 0.0 0.0 32.18 1SIP 60 REMARK 4 0.0 1.0 0.0 00.00 1SIP 61 REMARK 4 0.0 0.0 -1.0 47.88 1SIP 62 REMARK 4 1SIP 63 REMARK 4 THIS OPERATION LEAVES THE TWO CATALYTICALLY ESSENTIAL 1SIP 64 REMARK 4 ASPARTATES ADJACENT (ASP 25 AND ASP 25'). THIS ACTIVE SITE 1SIP 65 REMARK 4 ARRANGEMENT IS CHARACTERISTIC OF THE ASPARTIC ACID FAMILY 1SIP 66 REMARK 4 OF ENZYMES. 1SIP 67 REMARK 5 1SIP 68 REMARK 5 THE STRANDS IN THE *SHEET* RECORDS CORRESPOND TO THE 1SIP 69 REMARK 5 NOTATION IN *JRNL* AS FOLLOWS. 1=B, 2=C, 3=D', 4=D, 5=C', 1SIP 70 REMARK 5 6=B', 7=A'. 1SIP 71 REMARK 6 1SIP 72 REMARK 6 THE DIMER INTERFACE IS COMPOSED OF INTERDIGITATED N- AND 1SIP 73 REMARK 6 C-TERMINAL STRANDS FROM BOTH SUBUNITS FORMING A 1SIP 74 REMARK 6 FOUR-STRANDED ANTI-PARALLEL BETA-SHEET, S2. APPLICATION OF 1SIP 75 REMARK 6 THE TWO-FOLD ROTATION TO RESIDUES 2 - 4 AND 95 - 99 1SIP 76 REMARK 6 GENERATES RESIDUES 2' - 4' AND 95' - 99', RESPECTIVELY. 1SIP 77 REMARK 6 BECAUSE OF THE LIMITATIONS IMPOSED BY THE PROTEIN DATA BANK 1SIP 78 REMARK 6 FORMAT, IT IS NOT POSSIBLE TO PRESENT THIS SHEET ON *SHEET* 1SIP 79 REMARK 6 RECORDS. INSTEAD THIS SHEET IS SPECIFIED IN THIS REMARK. 1SIP 80 REMARK 6 STRANDS 1 AND 3 ARE FROM THE MOLECULE IN THIS ENTRY, AND 1SIP 81 REMARK 6 ARE TERMED STRAND A AND STRAND T IN *JRNL*; STRANDS 2 AND 1SIP 82 REMARK 6 4 ARE FROM THE SYMMETRY-RELATED MOLECULE. 1SIP 83 REMARK 6 1SIP 84 REMARK 6 S2 4 GLN 2 SER 4 0 1SIP 85 REMARK 6 S2 4 MET 95' PHE 99' -1 1SIP 86 REMARK 6 S2 4 MET 95 PHE 99 -1 1SIP 87 REMARK 6 S2 4 GLN 2' SER 4' -1 1SIP 88 REMARK 7 1SIP 89 REMARK 7 THE OCCUPANCY OF THE CATALYTIC AND FLAP WATER MOLECULES ON 1SIP 90 REMARK 7 THE CRYSTALLOGRAPHIC TWO-FOLD HAVE BEEN SET TO 0.5 FOR THE 1SIP 91 REMARK 7 MONOMER. THESE ARE REFERRED TO AS WAT1 AND WAT2 IN *JRNL* 1SIP 92 REMARK 7 BUT AS HOH 1 AND HOH 2 IN THIS ENTRY. 1SIP 93 REMARK 8 1SIP 94 REMARK 8 THERE ARE THREE SEQUENCE VARIATIONS BETWEEN SIVMAC251-32H 1SIP 95 REMARK 8 SHOWN IN SEQRES AND THE DATA BASE ENTRY FOR SIVMAC251, 1SIP 96 REMARK 8 NAMELY E63K, R72K AND F99L. THERE IS ONE VARIATION WITH 1SIP 97 REMARK 8 ENTRY SIVMAC239, NAMELY R72K. THESE VARIATIONS ARE 1SIP 98 REMARK 8 DESCRIBED IN REFERENCE 1. 1SIP 99 SEQRES 1 99 PRO GLN PHE SER LEU TRP ARG ARG PRO VAL VAL THR ALA 1SIP 100 SEQRES 2 99 HIS ILE GLU GLY GLN PRO VAL GLU VAL LEU LEU ASP THR 1SIP 101 SEQRES 3 99 GLY ALA ASP ASP SER ILE VAL THR GLY ILE GLU LEU GLY 1SIP 102 SEQRES 4 99 PRO HIS TYR THR PRO LYS ILE VAL GLY GLY ILE GLY GLY 1SIP 103 SEQRES 5 99 PHE ILE ASN THR LYS GLU TYR LYS ASN VAL GLU ILE GLU 1SIP 104 SEQRES 6 99 VAL LEU GLY LYS ARG ILE ARG GLY THR ILE MET THR GLY 1SIP 105 SEQRES 7 99 ASP THR PRO ILE ASN ILE PHE GLY ARG ASN LEU LEU THR 1SIP 106 SEQRES 8 99 ALA LEU GLY MET SER LEU ASN PHE 1SIP 107 FORMUL 2 HOH *40(H2 O1) 1SIP 108 HELIX 1 H GLY 86 LEU 93 1 1SIP 109 SHEET 1 S1 7 VAL 10 ILE 15 0 1SIP 110 SHEET 2 S1 7 PRO 19 LEU 24 -1 O VAL 20 N ALA 13 1SIP 111 SHEET 3 S1 7 ASN 83 PHE 85 1 O ASN 83 N LEU 23 1SIP 112 SHEET 4 S1 7 SER 31 VAL 33 -1 O ILE 32 N ILE 84 1SIP 113 SHEET 5 S1 7 ARG 70 ASP 79 1 O MET 76 N VAL 33 1SIP 114 SHEET 6 S1 7 GLY 52 GLU 65 -1 N LYS 57 O THR 77 1SIP 115 SHEET 7 S1 7 THR 43 GLY 49 -1 O LYS 45 N THR 56 1SIP 116 TURN 1 T1 GLU 16 PRO 19 1SIP 117 TURN 2 T2 GLY 49 GLY 52 1SIP 118 TURN 3 T3 VAL 66 LYS 69 1SIP 119 SITE 1 DTG 3 ASP 25 THR 26 GLY 27 1SIP 120 CRYST1 32.180 62.520 95.760 90.00 90.00 90.00 C 2 2 21 8 1SIP 121 ORIGX1 1.000000 0.000000 0.000000 0.00000 1SIP 122 ORIGX2 0.000000 1.000000 0.000000 0.00000 1SIP 123 ORIGX3 0.000000 0.000000 1.000000 0.00000 1SIP 124 SCALE1 0.031075 0.000000 0.000000 0.00000 1SIP 125 SCALE2 0.000000 0.015995 0.000000 0.00000 1SIP 126 SCALE3 0.000000 0.000000 0.010443 0.00000 1SIP 127 ATOM 1 N PRO 1 22.144 -34.712 19.056 1.00 0.35 1SIP 128 ATOM 2 CA PRO 1 23.133 -34.140 19.970 1.00 0.43 1SIP 129 ATOM 3 C PRO 1 22.536 -33.064 20.835 1.00 0.47 1SIP 130 ATOM 4 O PRO 1 21.312 -32.865 20.967 1.00 0.20 1SIP 131 ATOM 5 CB PRO 1 24.219 -33.674 19.080 1.00 0.26 1SIP 132 ATOM 6 CG PRO 1 24.077 -34.452 17.790 1.00 0.54 1SIP 133 ATOM 7 CD PRO 1 22.620 -34.912 17.713 1.00 0.14 1SIP 134 ATOM 8 N GLN 2 23.413 -32.372 21.554 1.00 0.48 1SIP 135 ATOM 9 CA GLN 2 22.669 -31.497 22.551 1.00 0.30 1SIP 136 ATOM 10 C GLN 2 23.652 -30.352 22.927 1.00 0.38 1SIP 137 ATOM 11 O GLN 2 24.849 -30.469 22.790 1.00 0.20 1SIP 138 ATOM 12 CB GLN 2 22.610 -32.377 23.843 1.00 0.60 1SIP 139 ATOM 13 CG GLN 2 21.350 -32.738 24.528 1.00 0.61 1SIP 140 ATOM 14 CD GLN 2 21.640 -33.415 25.883 1.00 0.62 1SIP 141 ATOM 15 OE1 GLN 2 22.583 -32.880 26.651 1.00 0.69 1SIP 142 ATOM 16 NE2 GLN 2 21.017 -34.499 26.357 1.00 0.54 1SIP 143 ATOM 17 N PHE 3 23.034 -29.334 23.415 1.00 0.27 1SIP 144 ATOM 18 CA PHE 3 23.350 -28.140 24.095 1.00 0.58 1SIP 145 ATOM 19 C PHE 3 22.802 -28.157 25.545 1.00 0.49 1SIP 146 ATOM 20 O PHE 3 21.608 -28.290 25.758 1.00 0.23 1SIP 147 ATOM 21 CB PHE 3 22.968 -26.860 23.426 1.00 0.45 1SIP 148 ATOM 22 CG PHE 3 23.466 -26.641 21.997 1.00 0.42 1SIP 149 ATOM 23 CD1 PHE 3 22.824 -27.255 20.962 1.00 0.40 1SIP 150 ATOM 24 CD2 PHE 3 24.562 -25.804 21.771 1.00 0.44 1SIP 151 ATOM 25 CE1 PHE 3 23.300 -27.032 19.697 1.00 0.33 1SIP 152 ATOM 26 CE2 PHE 3 24.990 -25.589 20.475 1.00 0.33 1SIP 153 ATOM 27 CZ PHE 3 24.333 -26.184 19.413 1.00 0.31 1SIP 154 ATOM 28 N SER 4 23.710 -28.169 26.507 1.00 0.43 1SIP 155 ATOM 29 CA SER 4 23.209 -28.059 27.929 1.00 0.52 1SIP 156 ATOM 30 C SER 4 23.397 -26.563 28.218 1.00 0.16 1SIP 157 ATOM 31 O SER 4 24.226 -26.046 27.470 1.00 0.46 1SIP 158 ATOM 32 CB SER 4 23.989 -28.905 28.862 1.00 0.34 1SIP 159 ATOM 33 OG SER 4 25.375 -28.665 28.584 1.00 0.37 1SIP 160 ATOM 34 N LEU 5 22.672 -25.897 29.025 1.00 0.54 1SIP 161 ATOM 35 CA LEU 5 22.801 -24.444 29.013 1.00 0.14 1SIP 162 ATOM 36 C LEU 5 23.762 -23.810 29.945 1.00 0.23 1SIP 163 ATOM 37 O LEU 5 23.472 -22.754 30.512 1.00 0.31 1SIP 164 ATOM 38 CB LEU 5 21.355 -23.884 29.209 1.00 0.17 1SIP 165 ATOM 39 CG LEU 5 20.633 -24.583 28.047 1.00 0.21 1SIP 166 ATOM 40 CD1 LEU 5 19.184 -24.797 28.332 1.00 0.41 1SIP 167 ATOM 41 CD2 LEU 5 21.056 -24.193 26.618 1.00 0.27 1SIP 168 ATOM 42 N TRP 6 24.922 -24.409 30.172 1.00 0.57 1SIP 169 ATOM 43 CA TRP 6 25.935 -23.967 31.156 1.00 0.29 1SIP 170 ATOM 44 C TRP 6 26.831 -22.940 30.509 1.00 0.40 1SIP 171 ATOM 45 O TRP 6 27.492 -22.082 31.062 1.00 0.40 1SIP 172 ATOM 46 CB TRP 6 26.731 -25.181 31.671 1.00 0.38 1SIP 173 ATOM 47 CG TRP 6 25.850 -26.172 32.444 1.00 0.10 1SIP 174 ATOM 48 CD1 TRP 6 25.465 -27.365 31.971 1.00 0.15 1SIP 175 ATOM 49 CD2 TRP 6 25.244 -26.087 33.715 1.00 0.62 1SIP 176 ATOM 50 NE1 TRP 6 24.618 -28.025 32.899 1.00 0.62 1SIP 177 ATOM 51 CE2 TRP 6 24.511 -27.259 33.940 1.00 0.37 1SIP 178 ATOM 52 CE3 TRP 6 25.215 -25.129 34.752 1.00 0.45 1SIP 179 ATOM 53 CZ2 TRP 6 23.792 -27.552 35.054 1.00 1.41 1SIP 180 ATOM 54 CZ3 TRP 6 24.492 -25.398 35.915 1.00 0.32 1SIP 181 ATOM 55 CH2 TRP 6 23.777 -26.611 36.085 1.00 0.35 1SIP 182 ATOM 56 N ARG 7 26.808 -23.081 29.203 1.00 0.27 1SIP 183 ATOM 57 CA ARG 7 27.506 -22.157 28.270 1.00 0.32 1SIP 184 ATOM 58 C ARG 7 26.426 -21.630 27.281 1.00 0.31 1SIP 185 ATOM 59 O ARG 7 25.356 -22.175 26.953 1.00 0.14 1SIP 186 ATOM 60 CB ARG 7 28.524 -22.957 27.428 1.00 0.35 1SIP 187 ATOM 61 CG ARG 7 29.965 -22.615 27.688 1.00 0.37 1SIP 188 ATOM 62 CD ARG 7 30.873 -23.640 27.011 1.00 0.99 1SIP 189 ATOM 63 NE ARG 7 31.016 -24.868 27.790 1.00 1.10 1SIP 190 ATOM 64 CZ ARG 7 30.882 -26.119 27.285 1.00 1.96 1SIP 191 ATOM 65 NH1 ARG 7 29.793 -26.424 26.573 1.00 0.42 1SIP 192 ATOM 66 NH2 ARG 7 31.797 -27.090 27.492 1.00 0.62 1SIP 193 ATOM 67 N ARG 8 26.735 -20.496 26.721 1.00 0.15 1SIP 194 ATOM 68 CA ARG 8 25.830 -19.843 25.752 1.00 0.14 1SIP 195 ATOM 69 C ARG 8 25.636 -20.797 24.571 1.00 0.41 1SIP 196 ATOM 70 O ARG 8 26.774 -21.230 24.363 1.00 0.25 1SIP 197 ATOM 71 CB ARG 8 26.468 -18.556 25.322 1.00 0.18 1SIP 198 ATOM 72 CG ARG 8 25.849 -17.533 26.276 1.00 0.20 1SIP 199 ATOM 73 CD ARG 8 26.676 -16.244 26.132 1.00 0.57 1SIP 200 ATOM 74 NE ARG 8 25.725 -15.199 25.729 1.00 0.22 1SIP 201 ATOM 75 CZ ARG 8 25.931 -13.937 26.139 1.00 0.48 1SIP 202 ATOM 76 NH1 ARG 8 27.061 -13.674 26.796 1.00 0.52 1SIP 203 ATOM 77 NH2 ARG 8 24.976 -13.034 25.949 1.00 0.99 1SIP 204 ATOM 78 N PRO 9 24.455 -21.162 24.071 1.00 0.41 1SIP 205 ATOM 79 CA PRO 9 24.370 -22.153 22.936 1.00 0.43 1SIP 206 ATOM 80 C PRO 9 24.737 -21.432 21.650 1.00 0.47 1SIP 207 ATOM 81 O PRO 9 23.916 -20.916 20.875 1.00 0.21 1SIP 208 ATOM 82 CB PRO 9 22.870 -22.439 22.985 1.00 0.29 1SIP 209 ATOM 83 CG PRO 9 22.221 -21.757 24.170 1.00 0.17 1SIP 210 ATOM 84 CD PRO 9 23.149 -20.610 24.482 1.00 0.03 1SIP 211 ATOM 85 N VAL 10 26.044 -21.269 21.426 1.00 0.39 1SIP 212 ATOM 86 CA VAL 10 26.501 -20.481 20.293 1.00 0.07 1SIP 213 ATOM 87 C VAL 10 27.059 -21.302 19.167 1.00 0.94 1SIP 214 ATOM 88 O VAL 10 27.641 -22.401 19.226 1.00 0.16 1SIP 215 ATOM 89 CB VAL 10 27.225 -19.240 20.628 1.00 0.17 1SIP 216 ATOM 90 CG1 VAL 10 28.089 -18.654 19.503 1.00 0.43 1SIP 217 ATOM 91 CG2 VAL 10 26.752 -18.112 21.533 1.00 0.18 1SIP 218 ATOM 92 N VAL 11 26.855 -20.886 17.920 1.00 0.18 1SIP 219 ATOM 93 CA VAL 11 27.286 -21.674 16.769 1.00 0.25 1SIP 220 ATOM 94 C VAL 11 27.646 -20.771 15.605 1.00 0.30 1SIP 221 ATOM 95 O VAL 11 27.340 -19.563 15.596 1.00 0.19 1SIP 222 ATOM 96 CB VAL 11 26.198 -22.678 16.369 1.00 0.21 1SIP 223 ATOM 97 CG1 VAL 11 25.998 -23.848 17.321 1.00 0.35 1SIP 224 ATOM 98 CG2 VAL 11 24.845 -22.349 15.736 1.00 0.16 1SIP 225 ATOM 99 N THR 12 28.270 -21.412 14.612 1.00 0.30 1SIP 226 ATOM 100 CA THR 12 28.731 -20.805 13.378 1.00 0.53 1SIP 227 ATOM 101 C THR 12 27.841 -21.118 12.192 1.00 0.47 1SIP 228 ATOM 102 O THR 12 27.668 -22.275 11.843 1.00 0.28 1SIP 229 ATOM 103 CB THR 12 30.190 -21.155 13.096 1.00 0.35 1SIP 230 ATOM 104 OG1 THR 12 30.953 -21.079 14.303 1.00 0.61 1SIP 231 ATOM 105 CG2 THR 12 30.776 -20.123 12.143 1.00 0.27 1SIP 232 ATOM 106 N ALA 13 27.286 -20.114 11.509 1.00 0.36 1SIP 233 ATOM 107 CA ALA 13 26.386 -20.349 10.348 1.00 0.32 1SIP 234 ATOM 108 C ALA 13 26.996 -19.594 9.162 1.00 0.29 1SIP 235 ATOM 109 O ALA 13 27.639 -18.593 9.493 1.00 0.23 1SIP 236 ATOM 110 CB ALA 13 25.062 -19.576 10.679 1.00 0.14 1SIP 237 ATOM 111 N HIS 14 26.753 -20.073 7.987 1.00 0.56 1SIP 238 ATOM 112 CA HIS 14 27.212 -19.343 6.738 1.00 0.21 1SIP 239 ATOM 113 C HIS 14 25.965 -18.756 6.125 1.00 0.12 1SIP 240 ATOM 114 O HIS 14 25.051 -19.495 5.834 1.00 0.18 1SIP 241 ATOM 115 CB HIS 14 27.860 -20.341 5.767 1.00 0.28 1SIP 242 ATOM 116 CG HIS 14 29.240 -20.663 6.357 1.00 0.16 1SIP 243 ATOM 117 ND1 HIS 14 29.527 -21.753 7.196 1.00 0.47 1SIP 244 ATOM 118 CD2 HIS 14 30.378 -19.877 6.265 1.00 0.42 1SIP 245 ATOM 119 CE1 HIS 14 30.841 -21.659 7.607 1.00 0.17 1SIP 246 ATOM 120 NE2 HIS 14 31.362 -20.496 7.016 1.00 0.40 1SIP 247 ATOM 121 N ILE 15 25.765 -17.470 6.085 1.00 0.09 1SIP 248 ATOM 122 CA ILE 15 24.528 -17.030 5.448 1.00 0.36 1SIP 249 ATOM 123 C ILE 15 24.949 -16.598 4.017 1.00 0.55 1SIP 250 ATOM 124 O ILE 15 25.729 -15.658 4.055 1.00 0.27 1SIP 251 ATOM 125 CB ILE 15 23.994 -15.746 6.112 1.00 0.43 1SIP 252 ATOM 126 CG1 ILE 15 23.981 -15.904 7.630 1.00 0.26 1SIP 253 ATOM 127 CG2 ILE 15 22.588 -15.505 5.551 1.00 0.18 1SIP 254 ATOM 128 CD1 ILE 15 23.411 -17.252 7.981 1.00 0.35 1SIP 255 ATOM 129 N GLU 16 24.543 -17.294 3.020 1.00 0.19 1SIP 256 ATOM 130 CA GLU 16 25.062 -16.908 1.686 1.00 0.51 1SIP 257 ATOM 131 C GLU 16 26.606 -17.014 1.726 1.00 0.12 1SIP 258 ATOM 132 O GLU 16 27.136 -15.970 1.334 1.00 0.28 1SIP 259 ATOM 133 CB GLU 16 24.694 -15.492 1.346 1.00 0.34 1SIP 260 ATOM 134 CG GLU 16 23.228 -15.224 1.234 1.00 0.23 1SIP 261 ATOM 135 CD GLU 16 22.634 -16.096 0.135 1.00 0.50 1SIP 262 ATOM 136 OE1 GLU 16 23.410 -16.393 -0.778 1.00 0.40 1SIP 263 ATOM 137 OE2 GLU 16 21.479 -16.558 0.163 1.00 0.28 1SIP 264 ATOM 138 N GLY 17 27.128 -18.131 2.232 1.00 0.33 1SIP 265 ATOM 139 CA GLY 17 28.583 -18.286 2.278 1.00 0.18 1SIP 266 ATOM 140 C GLY 17 29.394 -17.349 3.113 1.00 0.26 1SIP 267 ATOM 141 O GLY 17 30.624 -17.433 3.216 1.00 0.38 1SIP 268 ATOM 142 N GLN 18 28.774 -16.387 3.782 1.00 0.24 1SIP 269 ATOM 143 CA GLN 18 29.685 -15.629 4.716 1.00 0.26 1SIP 270 ATOM 144 C GLN 18 29.505 -16.285 6.093 1.00 1.29 1SIP 271 ATOM 145 O GLN 18 28.396 -16.772 6.378 1.00 0.44 1SIP 272 ATOM 146 CB GLN 18 29.277 -14.171 4.744 1.00 0.33 1SIP 273 ATOM 147 CG GLN 18 28.027 -14.156 3.875 1.00 0.39 1SIP 274 ATOM 148 CD GLN 18 27.458 -12.800 3.605 1.00 0.32 1SIP 275 ATOM 149 OE1 GLN 18 26.138 -12.732 3.404 1.00 0.50 1SIP 276 ATOM 150 NE2 GLN 18 28.253 -11.744 3.631 1.00 0.37 1SIP 277 ATOM 151 N PRO 19 30.491 -16.460 6.974 1.00 0.34 1SIP 278 ATOM 152 CA PRO 19 30.240 -17.151 8.250 1.00 0.61 1SIP 279 ATOM 153 C PRO 19 30.012 -16.162 9.382 1.00 0.51 1SIP 280 ATOM 154 O PRO 19 30.674 -15.151 9.563 1.00 0.52 1SIP 281 ATOM 155 CB PRO 19 31.604 -17.820 8.437 1.00 0.19 1SIP 282 ATOM 156 CG PRO 19 32.621 -16.929 7.754 1.00 0.36 1SIP 283 ATOM 157 CD PRO 19 31.834 -15.831 7.068 1.00 0.52 1SIP 284 ATOM 158 N VAL 20 29.007 -16.482 10.176 1.00 0.68 1SIP 285 ATOM 159 CA VAL 20 28.642 -15.666 11.326 1.00 0.31 1SIP 286 ATOM 160 C VAL 20 28.420 -16.570 12.530 1.00 0.04 1SIP 287 ATOM 161 O VAL 20 28.015 -17.715 12.352 1.00 0.13 1SIP 288 ATOM 162 CB VAL 20 27.418 -14.806 11.022 1.00 0.29 1SIP 289 ATOM 163 CG1 VAL 20 27.530 -13.413 11.657 1.00 0.49 1SIP 290 ATOM 164 CG2 VAL 20 26.858 -14.518 9.605 1.00 0.46 1SIP 291 ATOM 165 N GLU 21 28.721 -16.103 13.726 1.00 0.42 1SIP 292 ATOM 166 CA GLU 21 28.482 -16.684 15.055 1.00 0.30 1SIP 293 ATOM 167 C GLU 21 27.146 -16.212 15.621 1.00 0.39 1SIP 294 ATOM 168 O GLU 21 26.963 -15.012 15.723 1.00 0.14 1SIP 295 ATOM 169 CB GLU 21 29.597 -16.495 15.997 1.00 0.14 1SIP 296 ATOM 170 CG GLU 21 30.430 -17.736 15.471 1.00 0.44 1SIP 297 ATOM 171 CD GLU 21 31.536 -17.826 16.508 1.00 1.04 1SIP 298 ATOM 172 OE1 GLU 21 31.143 -17.245 17.537 1.00 0.63 1SIP 299 ATOM 173 OE2 GLU 21 32.618 -18.361 16.293 1.00 0.92 1SIP 300 ATOM 174 N VAL 22 26.254 -17.177 15.841 1.00 0.06 1SIP 301 ATOM 175 CA VAL 22 24.877 -16.920 16.212 1.00 0.24 1SIP 302 ATOM 176 C VAL 22 24.540 -17.577 17.536 1.00 0.19 1SIP 303 ATOM 177 O VAL 22 25.051 -18.665 17.712 1.00 0.22 1SIP 304 ATOM 178 CB VAL 22 23.953 -17.518 15.110 1.00 0.25 1SIP 305 ATOM 179 CG1 VAL 22 24.189 -16.955 13.678 1.00 0.22 1SIP 306 ATOM 180 CG2 VAL 22 23.627 -18.985 14.957 1.00 0.38 1SIP 307 ATOM 181 N LEU 23 23.691 -16.980 18.304 1.00 0.16 1SIP 308 ATOM 182 CA LEU 23 23.243 -17.661 19.573 1.00 0.10 1SIP 309 ATOM 183 C LEU 23 21.903 -18.347 19.267 1.00 0.12 1SIP 310 ATOM 184 O LEU 23 20.927 -17.716 18.801 1.00 0.11 1SIP 311 ATOM 185 CB LEU 23 23.001 -16.571 20.599 1.00 0.12 1SIP 312 ATOM 186 CG LEU 23 22.537 -16.886 21.986 1.00 0.13 1SIP 313 ATOM 187 CD1 LEU 23 23.083 -17.886 22.896 1.00 0.08 1SIP 314 ATOM 188 CD2 LEU 23 22.125 -15.612 22.697 1.00 0.24 1SIP 315 ATOM 189 N LEU 24 21.798 -19.637 19.490 1.00 0.30 1SIP 316 ATOM 190 CA LEU 24 20.452 -20.248 19.258 1.00 0.05 1SIP 317 ATOM 191 C LEU 24 19.526 -19.791 20.415 1.00 0.31 1SIP 318 ATOM 192 O LEU 24 19.566 -19.845 21.638 1.00 0.34 1SIP 319 ATOM 193 CB LEU 24 20.592 -21.755 19.239 1.00 0.09 1SIP 320 ATOM 194 CG LEU 24 21.679 -22.161 18.236 1.00 0.18 1SIP 321 ATOM 195 CD1 LEU 24 21.708 -23.696 18.347 1.00 0.20 1SIP 322 ATOM 196 CD2 LEU 24 21.199 -21.811 16.777 1.00 0.13 1SIP 323 ATOM 197 N ASP 25 18.456 -19.104 20.082 1.00 0.38 1SIP 324 ATOM 198 CA ASP 25 17.704 -18.395 21.118 1.00 0.07 1SIP 325 ATOM 199 C ASP 25 16.233 -18.564 21.080 1.00 0.15 1SIP 326 ATOM 200 O ASP 25 15.391 -18.042 20.356 1.00 0.19 1SIP 327 ATOM 201 CB ASP 25 18.166 -16.945 21.000 1.00 0.04 1SIP 328 ATOM 202 CG ASP 25 17.212 -15.978 21.615 1.00 0.22 1SIP 329 ATOM 203 OD1 ASP 25 16.305 -16.507 22.222 1.00 0.34 1SIP 330 ATOM 204 OD2 ASP 25 17.457 -14.792 21.491 1.00 0.35 1SIP 331 ATOM 205 N THR 26 15.674 -19.409 21.946 1.00 0.20 1SIP 332 ATOM 206 CA THR 26 14.290 -19.817 22.036 1.00 0.13 1SIP 333 ATOM 207 C THR 26 13.284 -18.754 22.250 1.00 0.37 1SIP 334 ATOM 208 O THR 26 12.080 -18.970 22.036 1.00 0.24 1SIP 335 ATOM 209 CB THR 26 14.080 -20.971 22.998 1.00 0.40 1SIP 336 ATOM 210 OG1 THR 26 14.626 -20.750 24.282 1.00 0.25 1SIP 337 ATOM 211 CG2 THR 26 14.620 -22.216 22.400 1.00 0.09 1SIP 338 ATOM 212 N GLY 27 13.822 -17.698 22.804 1.00 0.42 1SIP 339 ATOM 213 CA GLY 27 13.025 -16.548 23.163 1.00 0.27 1SIP 340 ATOM 214 C GLY 27 12.869 -15.573 22.020 1.00 0.30 1SIP 341 ATOM 215 O GLY 27 12.241 -14.525 22.199 1.00 0.23 1SIP 342 ATOM 216 N ALA 28 13.378 -15.863 20.838 1.00 0.39 1SIP 343 ATOM 217 CA ALA 28 13.053 -14.944 19.735 1.00 0.22 1SIP 344 ATOM 218 C ALA 28 12.145 -15.623 18.732 1.00 0.08 1SIP 345 ATOM 219 O ALA 28 12.161 -16.843 18.404 1.00 0.19 1SIP 346 ATOM 220 CB ALA 28 14.183 -14.191 19.185 1.00 0.25 1SIP 347 ATOM 221 N ASP 29 11.256 -14.780 18.227 1.00 0.24 1SIP 348 ATOM 222 CA ASP 29 10.305 -15.258 17.132 1.00 0.08 1SIP 349 ATOM 223 C ASP 29 11.172 -15.280 15.862 1.00 0.27 1SIP 350 ATOM 224 O ASP 29 11.188 -16.268 15.204 1.00 0.26 1SIP 351 ATOM 225 CB ASP 29 9.242 -14.114 16.941 1.00 0.20 1SIP 352 ATOM 226 CG ASP 29 8.212 -14.084 18.120 1.00 0.20 1SIP 353 ATOM 227 OD1 ASP 29 8.198 -14.912 19.052 1.00 0.34 1SIP 354 ATOM 228 OD2 ASP 29 7.314 -13.244 18.146 1.00 0.63 1SIP 355 ATOM 229 N ASP 30 11.921 -14.215 15.608 1.00 0.22 1SIP 356 ATOM 230 CA ASP 30 12.823 -14.128 14.489 1.00 0.18 1SIP 357 ATOM 231 C ASP 30 14.301 -14.186 14.869 1.00 0.60 1SIP 358 ATOM 232 O ASP 30 14.766 -14.191 15.992 1.00 0.30 1SIP 359 ATOM 233 CB ASP 30 12.620 -12.808 13.719 1.00 0.19 1SIP 360 ATOM 234 CG ASP 30 11.224 -12.307 13.977 1.00 0.12 1SIP 361 ATOM 235 OD1 ASP 30 10.350 -13.023 13.517 1.00 0.50 1SIP 362 ATOM 236 OD2 ASP 30 11.068 -11.295 14.667 1.00 0.62 1SIP 363 ATOM 237 N SER 31 15.061 -14.111 13.797 1.00 0.08 1SIP 364 ATOM 238 CA SER 31 16.528 -14.166 13.714 1.00 0.12 1SIP 365 ATOM 239 C SER 31 17.063 -12.884 13.096 1.00 0.17 1SIP 366 ATOM 240 O SER 31 16.724 -12.525 11.984 1.00 0.37 1SIP 367 ATOM 241 CB SER 31 16.929 -15.356 12.851 1.00 0.17 1SIP 368 ATOM 242 OG SER 31 15.961 -16.414 12.978 1.00 0.15 1SIP 369 ATOM 243 N ILE 32 17.875 -12.230 13.866 1.00 0.23 1SIP 370 ATOM 244 CA ILE 32 18.519 -10.958 13.507 1.00 0.09 1SIP 371 ATOM 245 C ILE 32 20.040 -11.144 13.658 1.00 0.45 1SIP 372 ATOM 246 O ILE 32 20.483 -11.656 14.671 1.00 0.18 1SIP 373 ATOM 247 CB ILE 32 18.063 -9.773 14.267 1.00 0.40 1SIP 374 ATOM 248 CG1 ILE 32 16.589 -9.694 14.537 1.00 0.36 1SIP 375 ATOM 249 CG2 ILE 32 18.671 -8.444 13.882 1.00 0.12 1SIP 376 ATOM 250 CD1 ILE 32 16.219 -10.077 15.975 1.00 0.45 1SIP 377 ATOM 251 N VAL 33 20.671 -10.738 12.604 1.00 0.38 1SIP 378 ATOM 252 CA VAL 33 22.112 -10.719 12.463 1.00 0.02 1SIP 379 ATOM 253 C VAL 33 22.572 -9.297 12.049 1.00 0.09 1SIP 380 ATOM 254 O VAL 33 22.019 -8.375 11.526 1.00 0.24 1SIP 381 ATOM 255 CB VAL 33 22.623 -11.763 11.504 1.00 0.58 1SIP 382 ATOM 256 CG1 VAL 33 22.317 -13.184 11.936 1.00 0.27 1SIP 383 ATOM 257 CG2 VAL 33 22.417 -11.594 10.004 1.00 0.19 1SIP 384 ATOM 258 N THR 34 23.848 -9.042 12.253 1.00 0.10 1SIP 385 ATOM 259 CA THR 34 24.412 -7.774 11.818 1.00 0.16 1SIP 386 ATOM 260 C THR 34 25.758 -8.093 11.136 1.00 0.14 1SIP 387 ATOM 261 O THR 34 26.123 -9.259 11.309 1.00 0.31 1SIP 388 ATOM 262 CB THR 34 24.701 -6.918 13.056 1.00 0.53 1SIP 389 ATOM 263 OG1 THR 34 25.345 -5.730 12.645 1.00 0.43 1SIP 390 ATOM 264 CG2 THR 34 25.520 -7.689 14.047 1.00 0.29 1SIP 391 ATOM 265 N GLY 35 26.441 -7.239 10.414 1.00 0.46 1SIP 392 ATOM 266 CA GLY 35 27.742 -7.762 9.930 1.00 0.18 1SIP 393 ATOM 267 C GLY 35 27.755 -8.419 8.590 1.00 0.46 1SIP 394 ATOM 268 O GLY 35 28.839 -8.634 8.081 1.00 0.41 1SIP 395 ATOM 269 N ILE 36 26.596 -8.738 8.054 1.00 0.39 1SIP 396 ATOM 270 CA ILE 36 26.534 -9.374 6.727 1.00 0.91 1SIP 397 ATOM 271 C ILE 36 25.689 -8.460 5.799 1.00 0.31 1SIP 398 ATOM 272 O ILE 36 24.781 -7.841 6.364 1.00 0.58 1SIP 399 ATOM 273 CB ILE 36 25.884 -10.729 6.758 1.00 0.59 1SIP 400 ATOM 274 CG1 ILE 36 24.410 -10.670 7.100 1.00 0.29 1SIP 401 ATOM 275 CG2 ILE 36 26.649 -11.817 7.409 1.00 1.01 1SIP 402 ATOM 276 CD1 ILE 36 23.662 -11.776 6.388 1.00 0.52 1SIP 403 ATOM 277 N GLU 37 26.010 -8.479 4.510 1.00 0.87 1SIP 404 ATOM 278 CA GLU 37 25.222 -7.724 3.530 1.00 0.22 1SIP 405 ATOM 279 C GLU 37 24.226 -8.597 2.836 1.00 0.20 1SIP 406 ATOM 280 O GLU 37 24.669 -9.550 2.167 1.00 0.43 1SIP 407 ATOM 281 CB GLU 37 26.016 -6.841 2.656 1.00 0.94 1SIP 408 ATOM 282 CG GLU 37 25.109 -5.786 1.992 1.00 0.71 1SIP 409 ATOM 283 CD GLU 37 25.617 -4.408 2.394 1.00 1.63 1SIP 410 ATOM 284 OE1 GLU 37 25.163 -4.012 3.482 1.00 0.78 1SIP 411 ATOM 285 OE2 GLU 37 26.429 -3.816 1.659 1.00 1.35 1SIP 412 ATOM 286 N LEU 38 22.896 -8.435 2.969 1.00 0.40 1SIP 413 ATOM 287 CA LEU 38 22.092 -9.367 2.203 1.00 0.34 1SIP 414 ATOM 288 C LEU 38 21.589 -8.813 0.892 1.00 0.39 1SIP 415 ATOM 289 O LEU 38 21.011 -9.528 0.041 1.00 0.39 1SIP 416 ATOM 290 CB LEU 38 21.137 -10.206 2.962 1.00 0.34 1SIP 417 ATOM 291 CG LEU 38 21.760 -11.171 3.939 1.00 0.29 1SIP 418 ATOM 292 CD1 LEU 38 20.835 -11.831 4.946 1.00 0.16 1SIP 419 ATOM 293 CD2 LEU 38 22.753 -12.183 3.410 1.00 0.34 1SIP 420 ATOM 294 N GLY 39 21.781 -7.530 0.642 1.00 0.63 1SIP 421 ATOM 295 CA GLY 39 21.389 -6.803 -0.563 1.00 0.26 1SIP 422 ATOM 296 C GLY 39 20.121 -5.995 -0.484 1.00 0.52 1SIP 423 ATOM 297 O GLY 39 19.438 -5.842 0.512 1.00 0.40 1SIP 424 ATOM 298 N PRO 40 19.761 -5.488 -1.628 1.00 0.37 1SIP 425 ATOM 299 CA PRO 40 18.733 -4.594 -2.026 1.00 0.20 1SIP 426 ATOM 300 C PRO 40 17.313 -5.022 -1.794 1.00 0.26 1SIP 427 ATOM 301 O PRO 40 16.414 -4.148 -1.740 1.00 0.34 1SIP 428 ATOM 302 CB PRO 40 18.991 -4.582 -3.563 1.00 0.50 1SIP 429 ATOM 303 CG PRO 40 20.072 -5.599 -3.875 1.00 0.53 1SIP 430 ATOM 304 CD PRO 40 20.795 -5.859 -2.582 1.00 0.42 1SIP 431 ATOM 305 N HIS 41 17.005 -6.287 -1.775 1.00 0.23 1SIP 432 ATOM 306 CA HIS 41 15.691 -6.901 -1.787 1.00 0.38 1SIP 433 ATOM 307 C HIS 41 15.084 -7.155 -0.458 1.00 0.29 1SIP 434 ATOM 308 O HIS 41 14.940 -8.320 -0.017 1.00 0.16 1SIP 435 ATOM 309 CB HIS 41 15.726 -8.248 -2.587 1.00 0.71 1SIP 436 ATOM 310 CG HIS 41 16.000 -7.822 -4.035 1.00 0.43 1SIP 437 ATOM 311 ND1 HIS 41 17.090 -8.148 -4.823 1.00 0.64 1SIP 438 ATOM 312 CD2 HIS 41 15.163 -6.985 -4.720 1.00 0.17 1SIP 439 ATOM 313 CE1 HIS 41 16.938 -7.511 -6.052 1.00 0.84 1SIP 440 ATOM 314 NE2 HIS 41 15.747 -6.814 -5.978 1.00 0.55 1SIP 441 ATOM 315 N TYR 42 14.665 -6.063 0.141 1.00 0.23 1SIP 442 ATOM 316 CA TYR 42 14.081 -6.311 1.433 1.00 0.25 1SIP 443 ATOM 317 C TYR 42 12.899 -5.460 1.747 1.00 0.31 1SIP 444 ATOM 318 O TYR 42 12.730 -4.399 1.182 1.00 0.23 1SIP 445 ATOM 319 CB TYR 42 15.201 -6.109 2.498 1.00 0.41 1SIP 446 ATOM 320 CG TYR 42 15.416 -4.611 2.570 1.00 0.18 1SIP 447 ATOM 321 CD1 TYR 42 16.234 -4.071 1.605 1.00 0.36 1SIP 448 ATOM 322 CD2 TYR 42 14.845 -3.830 3.554 1.00 0.34 1SIP 449 ATOM 323 CE1 TYR 42 16.466 -2.713 1.590 1.00 0.29 1SIP 450 ATOM 324 CE2 TYR 42 15.085 -2.462 3.552 1.00 0.22 1SIP 451 ATOM 325 CZ TYR 42 15.896 -1.896 2.564 1.00 0.28 1SIP 452 ATOM 326 OH TYR 42 16.145 -0.513 2.523 1.00 0.57 1SIP 453 ATOM 327 N THR 43 12.117 -6.027 2.668 1.00 0.35 1SIP 454 ATOM 328 CA THR 43 11.028 -5.274 3.316 1.00 0.58 1SIP 455 ATOM 329 C THR 43 11.531 -4.867 4.728 1.00 1.50 1SIP 456 ATOM 330 O THR 43 12.102 -5.586 5.579 1.00 0.22 1SIP 457 ATOM 331 CB THR 43 9.780 -6.072 3.427 1.00 0.48 1SIP 458 ATOM 332 OG1 THR 43 8.845 -5.737 2.390 1.00 0.34 1SIP 459 ATOM 333 CG2 THR 43 9.111 -5.924 4.754 1.00 0.81 1SIP 460 ATOM 334 N PRO 44 11.415 -3.595 5.098 1.00 0.37 1SIP 461 ATOM 335 CA PRO 44 11.895 -3.179 6.411 1.00 0.25 1SIP 462 ATOM 336 C PRO 44 11.000 -3.607 7.542 1.00 0.26 1SIP 463 ATOM 337 O PRO 44 9.836 -3.890 7.336 1.00 0.52 1SIP 464 ATOM 338 CB PRO 44 11.824 -1.669 6.262 1.00 0.34 1SIP 465 ATOM 339 CG PRO 44 11.447 -1.403 4.832 1.00 0.18 1SIP 466 ATOM 340 CD PRO 44 10.537 -2.559 4.494 1.00 0.36 1SIP 467 ATOM 341 N LYS 45 11.593 -3.537 8.712 1.00 0.38 1SIP 468 ATOM 342 CA LYS 45 10.950 -3.861 9.969 1.00 0.47 1SIP 469 ATOM 343 C LYS 45 11.338 -2.916 11.080 1.00 0.37 1SIP 470 ATOM 344 O LYS 45 11.902 -1.875 10.697 1.00 0.45 1SIP 471 ATOM 345 CB LYS 45 11.031 -5.287 10.365 1.00 0.47 1SIP 472 ATOM 346 CG LYS 45 9.702 -5.920 10.017 1.00 0.47 1SIP 473 ATOM 347 CD LYS 45 9.787 -7.362 9.664 1.00 0.67 1SIP 474 ATOM 348 CE LYS 45 8.401 -7.990 9.574 1.00 0.87 1SIP 475 ATOM 349 NZ LYS 45 8.224 -8.808 10.789 1.00 0.98 1SIP 476 ATOM 350 N ILE 46 10.880 -3.321 12.209 1.00 0.34 1SIP 477 ATOM 351 CA ILE 46 10.943 -2.854 13.584 1.00 0.23 1SIP 478 ATOM 352 C ILE 46 10.755 -4.056 14.538 1.00 0.44 1SIP 479 ATOM 353 O ILE 46 9.675 -4.662 14.538 1.00 0.34 1SIP 480 ATOM 354 CB ILE 46 9.837 -1.859 13.916 1.00 0.23 1SIP 481 ATOM 355 CG1 ILE 46 10.149 -0.506 13.304 1.00 0.22 1SIP 482 ATOM 356 CG2 ILE 46 9.762 -1.747 15.467 1.00 0.17 1SIP 483 ATOM 357 CD1 ILE 46 11.241 0.181 14.127 1.00 0.56 1SIP 484 ATOM 358 N VAL 47 11.805 -4.415 15.224 1.00 0.23 1SIP 485 ATOM 359 CA VAL 47 11.713 -5.569 16.139 1.00 0.90 1SIP 486 ATOM 360 C VAL 47 11.714 -5.086 17.566 1.00 0.29 1SIP 487 ATOM 361 O VAL 47 12.285 -4.067 17.972 1.00 0.27 1SIP 488 ATOM 362 CB VAL 47 12.753 -6.626 15.814 1.00 0.38 1SIP 489 ATOM 363 CG1 VAL 47 12.737 -7.887 16.748 1.00 0.50 1SIP 490 ATOM 364 CG2 VAL 47 12.552 -7.396 14.494 1.00 0.24 1SIP 491 ATOM 365 N GLY 48 11.047 -5.771 18.474 1.00 0.43 1SIP 492 ATOM 366 CA GLY 48 11.015 -5.370 19.871 1.00 0.32 1SIP 493 ATOM 367 C GLY 48 11.890 -6.247 20.709 1.00 0.33 1SIP 494 ATOM 368 O GLY 48 11.888 -7.454 20.698 1.00 0.43 1SIP 495 ATOM 369 N GLY 49 12.731 -5.605 21.477 1.00 0.50 1SIP 496 ATOM 370 CA GLY 49 13.564 -6.389 22.407 1.00 0.35 1SIP 497 ATOM 371 C GLY 49 13.359 -5.798 23.815 1.00 0.56 1SIP 498 ATOM 372 O GLY 49 12.467 -4.984 24.071 1.00 0.36 1SIP 499 ATOM 373 N ILE 50 14.223 -6.107 24.749 1.00 1.02 1SIP 500 ATOM 374 CA ILE 50 14.197 -5.657 26.148 1.00 0.30 1SIP 501 ATOM 375 C ILE 50 14.975 -4.361 26.329 1.00 0.47 1SIP 502 ATOM 376 O ILE 50 16.143 -4.372 26.674 1.00 0.63 1SIP 503 ATOM 377 CB ILE 50 14.821 -6.721 27.042 1.00 0.25 1SIP 504 ATOM 378 CG1 ILE 50 13.799 -7.490 27.829 1.00 0.34 1SIP 505 ATOM 379 CG2 ILE 50 15.946 -6.184 27.850 1.00 0.23 1SIP 506 ATOM 380 CD1 ILE 50 14.511 -7.834 29.163 1.00 0.49 1SIP 507 ATOM 381 N GLY 51 14.292 -3.260 26.220 1.00 0.38 1SIP 508 ATOM 382 CA GLY 51 14.921 -1.941 26.352 1.00 0.28 1SIP 509 ATOM 383 C GLY 51 14.509 -1.086 25.148 1.00 0.23 1SIP 510 ATOM 384 O GLY 51 14.899 0.067 25.007 1.00 0.45 1SIP 511 ATOM 385 N GLY 52 13.737 -1.677 24.233 1.00 0.31 1SIP 512 ATOM 386 CA GLY 52 13.330 -0.914 23.036 1.00 0.37 1SIP 513 ATOM 387 C GLY 52 13.093 -1.788 21.811 1.00 0.14 1SIP 514 ATOM 388 O GLY 52 12.944 -2.999 21.785 1.00 0.21 1SIP 515 ATOM 389 N PHE 53 13.081 -1.096 20.713 1.00 0.23 1SIP 516 ATOM 390 CA PHE 53 12.838 -1.655 19.390 1.00 0.62 1SIP 517 ATOM 391 C PHE 53 13.946 -1.357 18.447 1.00 0.15 1SIP 518 ATOM 392 O PHE 53 14.799 -0.457 18.541 1.00 0.30 1SIP 519 ATOM 393 CB PHE 53 11.463 -1.307 18.850 1.00 0.21 1SIP 520 ATOM 394 CG PHE 53 11.207 0.160 18.426 1.00 0.18 1SIP 521 ATOM 395 CD1 PHE 53 10.791 1.091 19.327 1.00 0.17 1SIP 522 ATOM 396 CD2 PHE 53 11.359 0.528 17.085 1.00 0.37 1SIP 523 ATOM 397 CE1 PHE 53 10.585 2.402 18.898 1.00 0.34 1SIP 524 ATOM 398 CE2 PHE 53 11.143 1.813 16.622 1.00 0.36 1SIP 525 ATOM 399 CZ PHE 53 10.748 2.748 17.562 1.00 0.36 1SIP 526 ATOM 400 N ILE 54 14.127 -2.174 17.443 1.00 0.51 1SIP 527 ATOM 401 CA ILE 54 15.143 -1.706 16.475 1.00 0.17 1SIP 528 ATOM 402 C ILE 54 14.524 -1.795 15.062 1.00 0.17 1SIP 529 ATOM 403 O ILE 54 13.545 -2.527 14.838 1.00 0.20 1SIP 530 ATOM 404 CB ILE 54 16.415 -2.506 16.555 1.00 0.22 1SIP 531 ATOM 405 CG1 ILE 54 16.178 -3.985 16.284 1.00 0.24 1SIP 532 ATOM 406 CG2 ILE 54 17.051 -2.338 17.950 1.00 0.53 1SIP 533 ATOM 407 CD1 ILE 54 17.506 -4.707 16.360 1.00 0.31 1SIP 534 ATOM 408 N ASN 55 15.151 -1.125 14.140 1.00 0.40 1SIP 535 ATOM 409 CA ASN 55 14.932 -1.075 12.712 1.00 0.30 1SIP 536 ATOM 410 C ASN 55 15.685 -2.166 11.988 1.00 0.19 1SIP 537 ATOM 411 O ASN 55 16.926 -2.333 12.056 1.00 0.38 1SIP 538 ATOM 412 CB ASN 55 15.199 0.330 12.118 1.00 0.38 1SIP 539 ATOM 413 CG ASN 55 13.900 1.104 11.801 1.00 0.71 1SIP 540 ATOM 414 OD1 ASN 55 13.066 0.871 10.759 1.00 0.68 1SIP 541 ATOM 415 ND2 ASN 55 13.532 2.056 12.643 1.00 0.63 1SIP 542 ATOM 416 N THR 56 14.989 -3.059 11.292 1.00 0.24 1SIP 543 ATOM 417 CA THR 56 15.621 -4.135 10.522 1.00 0.16 1SIP 544 ATOM 418 C THR 56 15.082 -4.257 9.109 1.00 0.22 1SIP 545 ATOM 419 O THR 56 14.073 -3.758 8.692 1.00 0.32 1SIP 546 ATOM 420 CB THR 56 15.510 -5.446 11.233 1.00 0.20 1SIP 547 ATOM 421 OG1 THR 56 14.264 -6.064 10.964 1.00 0.28 1SIP 548 ATOM 422 CG2 THR 56 15.767 -5.288 12.691 1.00 0.11 1SIP 549 ATOM 423 N LYS 57 15.881 -4.966 8.331 1.00 0.32 1SIP 550 ATOM 424 CA LYS 57 15.697 -5.299 6.939 1.00 0.39 1SIP 551 ATOM 425 C LYS 57 15.379 -6.755 6.785 1.00 0.18 1SIP 552 ATOM 426 O LYS 57 16.171 -7.559 7.187 1.00 0.17 1SIP 553 ATOM 427 CB LYS 57 16.884 -4.875 6.090 1.00 0.65 1SIP 554 ATOM 428 CG LYS 57 17.144 -3.427 6.460 1.00 0.43 1SIP 555 ATOM 429 CD LYS 57 17.966 -2.648 5.452 1.00 0.29 1SIP 556 ATOM 430 CE LYS 57 19.358 -3.245 5.347 1.00 0.41 1SIP 557 ATOM 431 NZ LYS 57 20.415 -2.188 5.489 1.00 0.64 1SIP 558 ATOM 432 N GLU 58 14.155 -7.017 6.350 1.00 0.28 1SIP 559 ATOM 433 CA GLU 58 13.706 -8.374 6.241 1.00 0.14 1SIP 560 ATOM 434 C GLU 58 13.903 -9.030 4.915 1.00 0.24 1SIP 561 ATOM 435 O GLU 58 13.455 -8.521 3.876 1.00 0.30 1SIP 562 ATOM 436 CB GLU 58 12.348 -8.536 6.883 1.00 0.09 1SIP 563 ATOM 437 CG GLU 58 11.798 -9.904 6.484 1.00 0.15 1SIP 564 ATOM 438 CD GLU 58 10.341 -9.902 6.922 1.00 0.11 1SIP 565 ATOM 439 OE1 GLU 58 10.126 -9.540 8.067 1.00 0.73 1SIP 566 ATOM 440 OE2 GLU 58 9.424 -10.234 6.213 1.00 0.57 1SIP 567 ATOM 441 N TYR 59 14.611 -10.137 4.791 1.00 0.32 1SIP 568 ATOM 442 CA TYR 59 15.088 -10.987 3.703 1.00 0.09 1SIP 569 ATOM 443 C TYR 59 14.483 -12.390 3.742 1.00 0.26 1SIP 570 ATOM 444 O TYR 59 14.595 -13.049 4.742 1.00 0.37 1SIP 571 ATOM 445 CB TYR 59 16.593 -11.214 3.785 1.00 0.16 1SIP 572 ATOM 446 CG TYR 59 17.262 -9.854 3.596 1.00 0.10 1SIP 573 ATOM 447 CD1 TYR 59 17.304 -9.326 2.278 1.00 0.16 1SIP 574 ATOM 448 CD2 TYR 59 17.817 -9.234 4.664 1.00 0.11 1SIP 575 ATOM 449 CE1 TYR 59 17.953 -8.101 2.122 1.00 0.33 1SIP 576 ATOM 450 CE2 TYR 59 18.430 -7.978 4.520 1.00 0.11 1SIP 577 ATOM 451 CZ TYR 59 18.501 -7.453 3.220 1.00 0.38 1SIP 578 ATOM 452 OH TYR 59 19.135 -6.263 3.035 1.00 0.19 1SIP 579 ATOM 453 N LYS 60 13.945 -12.772 2.611 1.00 0.25 1SIP 580 ATOM 454 CA LYS 60 13.290 -14.101 2.545 1.00 0.10 1SIP 581 ATOM 455 C LYS 60 14.124 -14.997 1.651 1.00 0.27 1SIP 582 ATOM 456 O LYS 60 14.865 -14.319 0.882 1.00 0.28 1SIP 583 ATOM 457 CB LYS 60 11.893 -13.882 1.957 1.00 0.20 1SIP 584 ATOM 458 CG LYS 60 11.071 -13.059 2.923 1.00 0.13 1SIP 585 ATOM 459 CD LYS 60 9.639 -13.526 3.077 1.00 0.20 1SIP 586 ATOM 460 CE LYS 60 8.728 -12.296 2.958 1.00 0.25 1SIP 587 ATOM 461 NZ LYS 60 7.385 -12.635 3.430 1.00 0.37 1SIP 588 ATOM 462 N ASN 61 13.971 -16.260 1.834 1.00 0.35 1SIP 589 ATOM 463 CA ASN 61 14.474 -17.462 1.220 1.00 0.56 1SIP 590 ATOM 464 C ASN 61 15.963 -17.393 0.897 1.00 0.51 1SIP 591 ATOM 465 O ASN 61 16.245 -17.712 -0.264 1.00 0.43 1SIP 592 ATOM 466 CB ASN 61 13.682 -17.950 0.031 1.00 0.27 1SIP 593 ATOM 467 CG ASN 61 12.319 -18.586 0.380 1.00 0.69 1SIP 594 ATOM 468 OD1 ASN 61 11.156 -18.065 -0.048 1.00 0.29 1SIP 595 ATOM 469 ND2 ASN 61 12.261 -19.678 1.153 1.00 0.34 1SIP 596 ATOM 470 N VAL 62 16.668 -17.033 1.946 1.00 0.29 1SIP 597 ATOM 471 CA VAL 62 18.050 -16.760 2.260 1.00 0.15 1SIP 598 ATOM 472 C VAL 62 18.784 -18.057 2.562 1.00 0.20 1SIP 599 ATOM 473 O VAL 62 18.186 -18.791 3.316 1.00 0.38 1SIP 600 ATOM 474 CB VAL 62 18.256 -15.795 3.430 1.00 0.09 1SIP 601 ATOM 475 CG1 VAL 62 19.787 -15.780 3.812 1.00 0.18 1SIP 602 ATOM 476 CG2 VAL 62 17.922 -14.328 3.237 1.00 0.10 1SIP 603 ATOM 477 N GLU 63 19.968 -18.185 2.001 1.00 0.22 1SIP 604 ATOM 478 CA GLU 63 20.664 -19.456 2.158 1.00 0.10 1SIP 605 ATOM 479 C GLU 63 21.440 -19.580 3.418 1.00 0.32 1SIP 606 ATOM 480 O GLU 63 22.421 -18.834 3.677 1.00 0.19 1SIP 607 ATOM 481 CB GLU 63 21.540 -19.693 0.930 1.00 0.40 1SIP 608 ATOM 482 CG GLU 63 21.032 -21.003 0.347 1.00 0.47 1SIP 609 ATOM 483 CD GLU 63 22.211 -21.888 0.005 1.00 0.65 1SIP 610 ATOM 484 OE1 GLU 63 23.281 -21.339 -0.329 1.00 0.82 1SIP 611 ATOM 485 OE2 GLU 63 21.954 -23.089 0.148 1.00 0.65 1SIP 612 ATOM 486 N ILE 64 21.038 -20.594 4.170 1.00 0.23 1SIP 613 ATOM 487 CA ILE 64 21.679 -20.771 5.472 1.00 0.25 1SIP 614 ATOM 488 C ILE 64 22.316 -22.112 5.653 1.00 0.42 1SIP 615 ATOM 489 O ILE 64 21.672 -23.100 5.378 1.00 0.30 1SIP 616 ATOM 490 CB ILE 64 20.848 -20.362 6.628 1.00 0.36 1SIP 617 ATOM 491 CG1 ILE 64 20.184 -19.033 6.556 1.00 0.36 1SIP 618 ATOM 492 CG2 ILE 64 21.354 -20.740 7.985 1.00 0.10 1SIP 619 ATOM 493 CD1 ILE 64 18.727 -18.986 7.086 1.00 0.11 1SIP 620 ATOM 494 N GLU 65 23.583 -22.125 6.083 1.00 0.41 1SIP 621 ATOM 495 CA GLU 65 24.262 -23.366 6.414 1.00 0.19 1SIP 622 ATOM 496 C GLU 65 24.688 -23.381 7.869 1.00 0.23 1SIP 623 ATOM 497 O GLU 65 25.231 -22.552 8.580 1.00 0.24 1SIP 624 ATOM 498 CB GLU 65 25.250 -23.844 5.455 1.00 0.19 1SIP 625 ATOM 499 CG GLU 65 26.636 -23.214 5.700 1.00 0.67 1SIP 626 ATOM 500 CD GLU 65 27.620 -24.364 5.474 1.00 0.56 1SIP 627 ATOM 501 OE1 GLU 65 27.120 -25.477 5.742 1.00 0.46 1SIP 628 ATOM 502 OE2 GLU 65 28.760 -24.218 5.025 1.00 0.42 1SIP 629 ATOM 503 N VAL 66 24.213 -24.436 8.484 1.00 0.10 1SIP 630 ATOM 504 CA VAL 66 24.493 -24.450 9.937 1.00 0.31 1SIP 631 ATOM 505 C VAL 66 24.177 -25.858 10.466 1.00 0.22 1SIP 632 ATOM 506 O VAL 66 23.049 -26.278 10.199 1.00 0.27 1SIP 633 ATOM 507 CB VAL 66 23.553 -23.426 10.598 1.00 0.14 1SIP 634 ATOM 508 CG1 VAL 66 22.095 -23.855 10.583 1.00 0.17 1SIP 635 ATOM 509 CG2 VAL 66 23.826 -23.092 12.119 1.00 0.31 1SIP 636 ATOM 510 N LEU 67 25.081 -26.490 11.192 1.00 0.64 1SIP 637 ATOM 511 CA LEU 67 24.999 -27.803 11.819 1.00 0.32 1SIP 638 ATOM 512 C LEU 67 24.963 -28.938 10.791 1.00 0.50 1SIP 639 ATOM 513 O LEU 67 24.432 -30.030 10.977 1.00 0.29 1SIP 640 ATOM 514 CB LEU 67 23.832 -27.916 12.794 1.00 0.67 1SIP 641 ATOM 515 CG LEU 67 24.017 -27.131 14.084 1.00 0.24 1SIP 642 ATOM 516 CD1 LEU 67 22.849 -27.025 15.060 1.00 0.26 1SIP 643 ATOM 517 CD2 LEU 67 25.214 -27.718 14.886 1.00 0.33 1SIP 644 ATOM 518 N GLY 68 25.563 -28.758 9.622 1.00 0.23 1SIP 645 ATOM 519 CA GLY 68 25.711 -29.643 8.482 1.00 0.35 1SIP 646 ATOM 520 C GLY 68 24.447 -29.817 7.673 1.00 0.65 1SIP 647 ATOM 521 O GLY 68 24.212 -30.861 7.057 1.00 0.56 1SIP 648 ATOM 522 N LYS 69 23.685 -28.753 7.719 1.00 0.44 1SIP 649 ATOM 523 CA LYS 69 22.364 -28.567 7.112 1.00 0.23 1SIP 650 ATOM 524 C LYS 69 22.360 -27.297 6.296 1.00 0.19 1SIP 651 ATOM 525 O LYS 69 22.896 -26.301 6.726 1.00 0.27 1SIP 652 ATOM 526 CB LYS 69 21.298 -28.438 8.199 1.00 0.30 1SIP 653 ATOM 527 CG LYS 69 20.681 -29.780 8.495 1.00 0.32 1SIP 654 ATOM 528 CD LYS 69 20.494 -30.137 9.952 1.00 0.89 1SIP 655 ATOM 529 CE LYS 69 19.737 -31.476 9.940 1.00 0.62 1SIP 656 ATOM 530 NZ LYS 69 18.452 -31.287 9.232 1.00 1.04 1SIP 657 ATOM 531 N ARG 70 21.650 -27.567 5.250 1.00 0.39 1SIP 658 ATOM 532 CA ARG 70 21.343 -26.508 4.262 1.00 0.31 1SIP 659 ATOM 533 C ARG 70 19.847 -26.209 4.341 1.00 0.41 1SIP 660 ATOM 534 O ARG 70 18.950 -27.031 4.204 1.00 0.28 1SIP 661 ATOM 535 CB ARG 70 21.682 -27.007 2.872 1.00 0.53 1SIP 662 ATOM 536 CG ARG 70 23.101 -26.472 2.635 1.00 0.38 1SIP 663 ATOM 537 CD ARG 70 23.024 -25.727 1.279 1.00 1.20 1SIP 664 ATOM 538 NE ARG 70 24.354 -25.546 0.669 1.00 0.59 1SIP 665 ATOM 539 CZ ARG 70 25.063 -24.493 1.162 1.00 0.79 1SIP 666 ATOM 540 NH1 ARG 70 24.381 -23.613 1.906 1.00 0.85 1SIP 667 ATOM 541 NH2 ARG 70 26.365 -24.432 0.928 1.00 0.38 1SIP 668 ATOM 542 N ILE 71 19.584 -24.981 4.674 1.00 0.18 1SIP 669 ATOM 543 CA ILE 71 18.227 -24.445 4.973 1.00 0.29 1SIP 670 ATOM 544 C ILE 71 18.019 -23.154 4.173 1.00 0.20 1SIP 671 ATOM 545 O ILE 71 18.926 -22.482 3.733 1.00 0.29 1SIP 672 ATOM 546 CB ILE 71 18.210 -24.178 6.473 1.00 0.33 1SIP 673 ATOM 547 CG1 ILE 71 16.993 -23.676 7.125 1.00 0.53 1SIP 674 ATOM 548 CG2 ILE 71 19.472 -23.577 6.999 1.00 0.88 1SIP 675 ATOM 549 CD1 ILE 71 17.431 -22.812 8.329 1.00 0.37 1SIP 676 ATOM 550 N ARG 72 16.802 -22.808 3.864 1.00 0.20 1SIP 677 ATOM 551 CA ARG 72 16.346 -21.571 3.240 1.00 0.09 1SIP 678 ATOM 552 C ARG 72 15.452 -20.859 4.254 1.00 0.32 1SIP 679 ATOM 553 O ARG 72 14.696 -21.636 4.893 1.00 0.16 1SIP 680 ATOM 554 CB ARG 72 15.616 -21.784 1.950 1.00 0.38 1SIP 681 ATOM 555 CG ARG 72 16.440 -21.270 0.757 1.00 0.36 1SIP 682 ATOM 556 CD ARG 72 17.221 -22.433 0.155 1.00 0.91 1SIP 683 ATOM 557 NE ARG 72 18.408 -21.959 -0.524 1.00 0.62 1SIP 684 ATOM 558 CZ ARG 72 18.567 -20.871 -1.299 1.00 1.27 1SIP 685 ATOM 559 NH1 ARG 72 17.872 -19.738 -1.161 1.00 0.67 1SIP 686 ATOM 560 NH2 ARG 72 19.532 -20.918 -2.245 1.00 0.47 1SIP 687 ATOM 561 N GLY 73 15.586 -19.559 4.481 1.00 0.19 1SIP 688 ATOM 562 CA GLY 73 14.602 -19.071 5.505 1.00 0.17 1SIP 689 ATOM 563 C GLY 73 14.792 -17.571 5.534 1.00 0.10 1SIP 690 ATOM 564 O GLY 73 15.698 -17.204 4.819 1.00 0.20 1SIP 691 ATOM 565 N THR 74 13.970 -16.973 6.351 1.00 0.29 1SIP 692 ATOM 566 CA THR 74 13.908 -15.515 6.525 1.00 0.06 1SIP 693 ATOM 567 C THR 74 14.920 -15.029 7.535 1.00 0.36 1SIP 694 ATOM 568 O THR 74 15.018 -15.579 8.622 1.00 0.30 1SIP 695 ATOM 569 CB THR 74 12.489 -15.128 6.893 1.00 0.16 1SIP 696 ATOM 570 OG1 THR 74 11.598 -15.561 5.852 1.00 0.34 1SIP 697 ATOM 571 CG2 THR 74 12.307 -13.633 7.069 1.00 0.12 1SIP 698 ATOM 572 N ILE 75 15.715 -13.995 7.322 1.00 0.18 1SIP 699 ATOM 573 CA ILE 75 16.618 -13.403 8.280 1.00 0.28 1SIP 700 ATOM 574 C ILE 75 16.401 -11.881 8.286 1.00 0.19 1SIP 701 ATOM 575 O ILE 75 16.156 -11.422 7.193 1.00 0.30 1SIP 702 ATOM 576 CB ILE 75 18.106 -13.601 7.877 1.00 0.22 1SIP 703 ATOM 577 CG1 ILE 75 18.373 -15.055 7.574 1.00 0.33 1SIP 704 ATOM 578 CG2 ILE 75 18.998 -13.170 9.069 1.00 0.82 1SIP 705 ATOM 579 CD1 ILE 75 19.057 -15.811 8.703 1.00 0.36 1SIP 706 ATOM 580 N MET 76 16.548 -11.228 9.399 1.00 0.38 1SIP 707 ATOM 581 CA MET 76 16.499 -9.769 9.412 1.00 0.14 1SIP 708 ATOM 582 C MET 76 17.910 -9.231 9.619 1.00 0.17 1SIP 709 ATOM 583 O MET 76 18.852 -9.807 10.113 1.00 0.21 1SIP 710 ATOM 584 CB MET 76 15.582 -9.168 10.447 1.00 0.18 1SIP 711 ATOM 585 CG MET 76 14.372 -10.051 10.659 1.00 0.44 1SIP 712 ATOM 586 SD MET 76 13.007 -9.073 11.322 1.00 0.37 1SIP 713 ATOM 587 CE MET 76 11.529 -9.885 10.711 1.00 0.47 1SIP 714 ATOM 588 N THR 77 18.133 -8.078 9.088 1.00 0.20 1SIP 715 ATOM 589 CA THR 77 19.467 -7.555 9.362 1.00 0.27 1SIP 716 ATOM 590 C THR 77 19.334 -6.256 10.131 1.00 0.15 1SIP 717 ATOM 591 O THR 77 18.418 -5.500 9.880 1.00 0.42 1SIP 718 ATOM 592 CB THR 77 20.212 -7.385 8.047 1.00 0.34 1SIP 719 ATOM 593 OG1 THR 77 21.375 -8.206 8.014 1.00 0.53 1SIP 720 ATOM 594 CG2 THR 77 20.627 -5.981 7.841 1.00 0.15 1SIP 721 ATOM 595 N GLY 78 20.163 -5.892 11.074 1.00 0.30 1SIP 722 ATOM 596 CA GLY 78 20.075 -4.576 11.730 1.00 0.27 1SIP 723 ATOM 597 C GLY 78 21.001 -4.508 12.945 1.00 0.38 1SIP 724 ATOM 598 O GLY 78 21.852 -5.318 13.282 1.00 0.41 1SIP 725 ATOM 599 N ASP 79 20.812 -3.543 13.753 1.00 0.51 1SIP 726 ATOM 600 CA ASP 79 21.431 -3.055 14.977 1.00 0.40 1SIP 727 ATOM 601 C ASP 79 21.493 -4.042 16.095 1.00 0.47 1SIP 728 ATOM 602 O ASP 79 21.342 -3.670 17.279 1.00 0.72 1SIP 729 ATOM 603 CB ASP 79 20.577 -1.810 15.437 1.00 0.79 1SIP 730 ATOM 604 CG ASP 79 21.582 -0.859 16.080 1.00 0.86 1SIP 731 ATOM 605 OD1 ASP 79 22.773 -1.221 16.100 1.00 0.79 1SIP 732 ATOM 606 OD2 ASP 79 21.144 0.194 16.552 1.00 1.29 1SIP 733 ATOM 607 N THR 80 21.732 -5.335 15.936 1.00 0.43 1SIP 734 ATOM 608 CA THR 80 21.740 -6.291 17.038 1.00 0.49 1SIP 735 ATOM 609 C THR 80 23.147 -6.422 17.631 1.00 0.65 1SIP 736 ATOM 610 O THR 80 24.026 -6.671 16.786 1.00 0.38 1SIP 737 ATOM 611 CB THR 80 21.260 -7.665 16.562 1.00 0.34 1SIP 738 ATOM 612 OG1 THR 80 20.704 -8.378 17.677 1.00 0.33 1SIP 739 ATOM 613 CG2 THR 80 22.459 -8.466 16.093 1.00 0.25 1SIP 740 ATOM 614 N PRO 81 23.241 -6.260 18.940 1.00 0.48 1SIP 741 ATOM 615 CA PRO 81 24.380 -6.402 19.884 1.00 0.67 1SIP 742 ATOM 616 C PRO 81 24.876 -7.851 19.859 1.00 0.32 1SIP 743 ATOM 617 O PRO 81 26.049 -8.213 19.954 1.00 0.34 1SIP 744 ATOM 618 CB PRO 81 23.686 -6.136 21.199 1.00 0.24 1SIP 745 ATOM 619 CG PRO 81 22.202 -5.980 20.895 1.00 0.73 1SIP 746 ATOM 620 CD PRO 81 22.226 -5.349 19.508 1.00 0.73 1SIP 747 ATOM 621 N ILE 82 23.908 -8.760 19.640 1.00 0.54 1SIP 748 ATOM 622 CA ILE 82 24.282 -10.167 19.478 1.00 0.16 1SIP 749 ATOM 623 C ILE 82 23.555 -10.829 18.324 1.00 0.42 1SIP 750 ATOM 624 O ILE 82 22.411 -10.441 18.082 1.00 0.23 1SIP 751 ATOM 625 CB ILE 82 24.227 -10.933 20.759 1.00 0.53 1SIP 752 ATOM 626 CG1 ILE 82 24.064 -12.416 20.588 1.00 0.28 1SIP 753 ATOM 627 CG2 ILE 82 23.324 -10.326 21.808 1.00 0.73 1SIP 754 ATOM 628 CD1 ILE 82 25.030 -13.267 21.412 1.00 0.98 1SIP 755 ATOM 629 N ASN 83 24.090 -11.711 17.512 1.00 0.27 1SIP 756 ATOM 630 CA ASN 83 23.333 -12.318 16.406 1.00 0.21 1SIP 757 ATOM 631 C ASN 83 22.435 -13.436 16.915 1.00 0.07 1SIP 758 ATOM 632 O ASN 83 22.884 -14.430 17.529 1.00 0.10 1SIP 759 ATOM 633 CB ASN 83 24.333 -13.009 15.429 1.00 0.14 1SIP 760 ATOM 634 CG ASN 83 25.404 -12.029 14.954 1.00 0.24 1SIP 761 ATOM 635 OD1 ASN 83 25.075 -10.765 14.953 1.00 0.30 1SIP 762 ATOM 636 ND2 ASN 83 26.548 -12.581 14.630 1.00 0.28 1SIP 763 ATOM 637 N ILE 84 21.162 -13.375 16.544 1.00 0.17 1SIP 764 ATOM 638 CA ILE 84 20.364 -14.492 17.096 1.00 0.01 1SIP 765 ATOM 639 C ILE 84 19.681 -15.307 16.027 1.00 0.22 1SIP 766 ATOM 640 O ILE 84 19.277 -14.768 15.015 1.00 0.18 1SIP 767 ATOM 641 CB ILE 84 19.300 -13.895 18.057 1.00 0.33 1SIP 768 ATOM 642 CG1 ILE 84 18.496 -12.835 17.372 1.00 0.36 1SIP 769 ATOM 643 CG2 ILE 84 20.038 -13.265 19.276 1.00 0.27 1SIP 770 ATOM 644 CD1 ILE 84 17.331 -12.224 18.064 1.00 0.19 1SIP 771 ATOM 645 N PHE 85 19.540 -16.601 16.222 1.00 0.08 1SIP 772 ATOM 646 CA PHE 85 18.673 -17.458 15.380 1.00 0.32 1SIP 773 ATOM 647 C PHE 85 17.418 -17.731 16.278 1.00 0.15 1SIP 774 ATOM 648 O PHE 85 17.561 -18.362 17.305 1.00 0.17 1SIP 775 ATOM 649 CB PHE 85 19.322 -18.778 15.048 1.00 0.22 1SIP 776 ATOM 650 CG PHE 85 20.077 -18.710 13.738 1.00 0.09 1SIP 777 ATOM 651 CD1 PHE 85 20.448 -17.468 13.220 1.00 0.29 1SIP 778 ATOM 652 CD2 PHE 85 20.426 -19.845 13.041 1.00 0.15 1SIP 779 ATOM 653 CE1 PHE 85 21.126 -17.398 12.041 1.00 0.27 1SIP 780 ATOM 654 CE2 PHE 85 21.076 -19.773 11.811 1.00 0.17 1SIP 781 ATOM 655 CZ PHE 85 21.441 -18.531 11.319 1.00 0.41 1SIP 782 ATOM 656 N GLY 86 16.324 -17.155 15.932 1.00 0.29 1SIP 783 ATOM 657 CA GLY 86 15.077 -17.183 16.661 1.00 0.16 1SIP 784 ATOM 658 C GLY 86 14.411 -18.510 16.344 1.00 0.13 1SIP 785 ATOM 659 O GLY 86 15.160 -19.187 15.686 1.00 0.20 1SIP 786 ATOM 660 N ARG 87 13.227 -18.724 16.796 1.00 0.22 1SIP 787 ATOM 661 CA ARG 87 12.364 -19.918 16.765 1.00 0.25 1SIP 788 ATOM 662 C ARG 87 12.001 -20.281 15.333 1.00 0.73 1SIP 789 ATOM 663 O ARG 87 11.613 -21.443 15.199 1.00 0.35 1SIP 790 ATOM 664 CB ARG 87 11.047 -19.556 17.493 1.00 0.33 1SIP 791 ATOM 665 CG ARG 87 10.923 -20.184 18.827 1.00 0.25 1SIP 792 ATOM 666 CD ARG 87 9.681 -19.792 19.647 1.00 0.11 1SIP 793 ATOM 667 NE ARG 87 8.853 -18.756 19.159 1.00 0.16 1SIP 794 ATOM 668 CZ ARG 87 7.783 -18.882 18.356 1.00 0.16 1SIP 795 ATOM 669 NH1 ARG 87 7.574 -20.017 17.714 1.00 0.24 1SIP 796 ATOM 670 NH2 ARG 87 6.950 -17.865 18.294 1.00 0.33 1SIP 797 ATOM 671 N ASN 88 12.082 -19.380 14.373 1.00 0.44 1SIP 798 ATOM 672 CA ASN 88 11.774 -19.532 12.949 1.00 0.20 1SIP 799 ATOM 673 C ASN 88 12.694 -20.440 12.189 1.00 0.42 1SIP 800 ATOM 674 O ASN 88 12.166 -21.230 11.344 1.00 0.34 1SIP 801 ATOM 675 CB ASN 88 11.552 -18.229 12.249 1.00 0.35 1SIP 802 ATOM 676 CG ASN 88 12.897 -17.604 11.945 1.00 0.26 1SIP 803 ATOM 677 OD1 ASN 88 13.676 -17.531 12.976 1.00 0.21 1SIP 804 ATOM 678 ND2 ASN 88 13.211 -17.130 10.757 1.00 0.22 1SIP 805 ATOM 679 N LEU 89 13.973 -20.360 12.512 1.00 0.32 1SIP 806 ATOM 680 CA LEU 89 15.143 -21.131 12.128 1.00 0.18 1SIP 807 ATOM 681 C LEU 89 15.334 -22.379 12.996 1.00 0.25 1SIP 808 ATOM 682 O LEU 89 15.823 -23.333 12.433 1.00 0.34 1SIP 809 ATOM 683 CB LEU 89 16.406 -20.320 12.042 1.00 0.35 1SIP 810 ATOM 684 CG LEU 89 16.738 -19.627 10.721 1.00 0.30 1SIP 811 ATOM 685 CD1 LEU 89 15.490 -19.241 9.977 1.00 0.31 1SIP 812 ATOM 686 CD2 LEU 89 17.552 -18.325 10.761 1.00 0.20 1SIP 813 ATOM 687 N LEU 90 15.008 -22.507 14.276 1.00 0.17 1SIP 814 ATOM 688 CA LEU 90 15.155 -23.641 15.133 1.00 0.15 1SIP 815 ATOM 689 C LEU 90 14.102 -24.727 14.812 1.00 0.04 1SIP 816 ATOM 690 O LEU 90 14.362 -25.872 15.150 1.00 0.21 1SIP 817 ATOM 691 CB LEU 90 15.001 -23.306 16.612 1.00 0.03 1SIP 818 ATOM 692 CG LEU 90 15.895 -22.189 17.125 1.00 0.32 1SIP 819 ATOM 693 CD1 LEU 90 15.806 -22.081 18.653 1.00 0.02 1SIP 820 ATOM 694 CD2 LEU 90 17.334 -22.440 16.726 1.00 0.19 1SIP 821 ATOM 695 N THR 91 12.933 -24.339 14.338 1.00 0.34 1SIP 822 ATOM 696 CA THR 91 11.856 -25.298 13.961 1.00 0.33 1SIP 823 ATOM 697 C THR 91 12.372 -26.085 12.721 1.00 0.47 1SIP 824 ATOM 698 O THR 91 12.288 -27.322 12.883 1.00 0.63 1SIP 825 ATOM 699 CB THR 91 10.616 -24.518 13.544 1.00 0.32 1SIP 826 ATOM 700 OG1 THR 91 10.923 -23.694 12.414 1.00 0.34 1SIP 827 ATOM 701 CG2 THR 91 10.134 -23.666 14.674 1.00 0.32 1SIP 828 ATOM 702 N ALA 92 12.855 -25.375 11.701 1.00 0.30 1SIP 829 ATOM 703 CA ALA 92 13.535 -25.721 10.435 1.00 0.29 1SIP 830 ATOM 704 C ALA 92 14.702 -26.688 10.702 1.00 0.18 1SIP 831 ATOM 705 O ALA 92 14.710 -27.762 10.062 1.00 0.47 1SIP 832 ATOM 706 CB ALA 92 14.110 -24.441 9.784 1.00 0.27 1SIP 833 ATOM 707 N LEU 93 15.597 -26.490 11.664 1.00 0.49 1SIP 834 ATOM 708 CA LEU 93 16.752 -27.184 12.194 1.00 0.15 1SIP 835 ATOM 709 C LEU 93 16.401 -28.423 13.000 1.00 0.22 1SIP 836 ATOM 710 O LEU 93 17.293 -29.201 13.365 1.00 0.45 1SIP 837 ATOM 711 CB LEU 93 17.690 -26.330 12.998 1.00 0.31 1SIP 838 ATOM 712 CG LEU 93 18.275 -25.174 12.152 1.00 0.47 1SIP 839 ATOM 713 CD1 LEU 93 19.099 -24.229 13.056 1.00 0.25 1SIP 840 ATOM 714 CD2 LEU 93 18.989 -25.730 10.935 1.00 0.24 1SIP 841 ATOM 715 N GLY 94 15.128 -28.568 13.274 1.00 0.37 1SIP 842 ATOM 716 CA GLY 94 14.631 -29.697 14.092 1.00 0.14 1SIP 843 ATOM 717 C GLY 94 15.012 -29.549 15.569 1.00 0.50 1SIP 844 ATOM 718 O GLY 94 15.500 -30.437 16.255 1.00 0.45 1SIP 845 ATOM 719 N MET 95 14.808 -28.362 16.147 1.00 0.09 1SIP 846 ATOM 720 CA MET 95 15.193 -28.289 17.548 1.00 0.11 1SIP 847 ATOM 721 C MET 95 14.000 -28.230 18.488 1.00 0.16 1SIP 848 ATOM 722 O MET 95 12.920 -27.663 18.248 1.00 0.36 1SIP 849 ATOM 723 CB MET 95 16.108 -27.094 17.744 1.00 0.40 1SIP 850 ATOM 724 CG MET 95 17.387 -27.328 16.944 1.00 0.43 1SIP 851 ATOM 725 SD MET 95 18.512 -26.053 17.471 1.00 0.40 1SIP 852 ATOM 726 CE MET 95 20.093 -26.683 17.931 1.00 0.12 1SIP 853 ATOM 727 N SER 96 14.261 -28.796 19.650 1.00 0.51 1SIP 854 ATOM 728 CA SER 96 13.437 -28.937 20.824 1.00 0.19 1SIP 855 ATOM 729 C SER 96 14.164 -28.555 22.107 1.00 0.18 1SIP 856 ATOM 730 O SER 96 15.354 -28.656 22.254 1.00 0.22 1SIP 857 ATOM 731 CB SER 96 12.793 -30.278 20.965 1.00 0.11 1SIP 858 ATOM 732 OG SER 96 13.700 -31.340 21.162 1.00 0.39 1SIP 859 ATOM 733 N LEU 97 13.367 -28.135 23.022 1.00 0.24 1SIP 860 ATOM 734 CA LEU 97 13.700 -27.781 24.435 1.00 0.12 1SIP 861 ATOM 735 C LEU 97 13.131 -28.991 25.265 1.00 0.21 1SIP 862 ATOM 736 O LEU 97 11.914 -29.101 25.322 1.00 0.19 1SIP 863 ATOM 737 CB LEU 97 12.941 -26.524 24.816 1.00 0.21 1SIP 864 ATOM 738 CG LEU 97 13.574 -25.556 25.750 1.00 0.40 1SIP 865 ATOM 739 CD1 LEU 97 15.049 -25.445 25.471 1.00 0.41 1SIP 866 ATOM 740 CD2 LEU 97 12.907 -24.183 25.684 1.00 0.55 1SIP 867 ATOM 741 N ASN 98 13.994 -29.873 25.710 1.00 0.49 1SIP 868 ATOM 742 CA ASN 98 13.994 -31.093 26.475 1.00 0.62 1SIP 869 ATOM 743 C ASN 98 14.330 -30.869 27.946 1.00 0.30 1SIP 870 ATOM 744 O ASN 98 15.086 -29.966 28.242 1.00 0.27 1SIP 871 ATOM 745 CB ASN 98 14.992 -32.125 25.912 1.00 0.22 1SIP 872 ATOM 746 CG ASN 98 14.356 -32.521 24.582 1.00 0.16 1SIP 873 ATOM 747 OD1 ASN 98 14.064 -33.758 24.267 1.00 0.49 1SIP 874 ATOM 748 ND2 ASN 98 14.015 -31.608 23.731 1.00 0.33 1SIP 875 ATOM 749 N PHE 99 13.725 -31.629 28.821 1.00 0.31 1SIP 876 ATOM 750 CA PHE 99 13.954 -31.549 30.290 1.00 0.28 1SIP 877 ATOM 751 C PHE 99 13.451 -32.891 30.895 1.00 0.54 1SIP 878 ATOM 752 O PHE 99 13.612 -33.043 32.101 1.00 0.80 1SIP 879 ATOM 753 CB PHE 99 13.149 -30.444 30.907 1.00 0.47 1SIP 880 ATOM 754 CG PHE 99 11.611 -30.456 30.771 1.00 0.12 1SIP 881 ATOM 755 CD1 PHE 99 10.980 -29.912 29.637 1.00 0.37 1SIP 882 ATOM 756 CD2 PHE 99 10.781 -30.899 31.774 1.00 0.19 1SIP 883 ATOM 757 CE1 PHE 99 9.592 -29.892 29.527 1.00 0.10 1SIP 884 ATOM 758 CE2 PHE 99 9.395 -30.899 31.670 1.00 0.19 1SIP 885 ATOM 759 CZ PHE 99 8.797 -30.376 30.537 1.00 0.24 1SIP 886 ATOM 760 OXT PHE 99 12.647 -33.591 30.113 1.00 0.32 1SIP 887 TER 761 PHE 99 1SIP 888 HETATM 762 O HOH 1 16.090 -12.940 23.940 0.50 0.24 1SIP 889 HETATM 763 O HOH 2 16.090 -8.331 23.940 0.50 0.24 1SIP 890 HETATM 764 O HOH 3 10.135 -17.492 21.336 1.00 0.25 1SIP 891 HETATM 765 O HOH 4 9.275 -15.386 21.688 1.00 0.37 1SIP 892 HETATM 766 O HOH 5 11.528 -17.426 3.939 1.00 0.33 1SIP 893 HETATM 767 O HOH 6 27.793 -30.806 28.064 1.00 0.42 1SIP 894 HETATM 768 O HOH 7 12.899 -22.736 -1.407 1.00 0.57 1SIP 895 HETATM 769 O HOH 8 18.692 -8.879 -2.325 1.00 0.27 1SIP 896 HETATM 770 O HOH 9 12.684 -37.454 30.560 1.00 0.57 1SIP 897 HETATM 771 O HOH 10 25.260 -24.580 25.354 1.00 0.26 1SIP 898 HETATM 772 O HOH 11 28.580 -21.242 -0.433 1.00 0.43 1SIP 899 HETATM 773 O HOH 12 13.623 -13.694 10.780 1.00 0.15 1SIP 900 HETATM 774 O HOH 13 27.511 -4.235 7.043 1.00 0.48 1SIP 901 HETATM 775 O HOH 14 24.115 -11.677 -0.343 1.00 0.33 1SIP 902 HETATM 776 O HOH 15 7.964 -14.677 12.994 1.00 0.46 1SIP 903 HETATM 777 O HOH 16 8.636 -17.698 14.507 1.00 0.27 1SIP 904 HETATM 778 O HOH 17 22.968 -4.001 10.659 1.00 0.31 1SIP 905 HETATM 779 O HOH 18 24.744 -33.666 28.815 1.00 0.46 1SIP 906 HETATM 780 O HOH 19 35.033 -18.680 20.070 1.00 0.49 1SIP 907 HETATM 781 O HOH 20 29.522 -20.198 24.061 1.00 0.44 1SIP 908 HETATM 782 O HOH 21 28.440 -23.491 22.343 1.00 0.37 1SIP 909 HETATM 783 O HOH 22 29.155 -13.842 20.508 1.00 0.54 1SIP 910 HETATM 784 O HOH 23 29.669 -12.558 13.876 1.00 0.51 1SIP 911 HETATM 785 O HOH 24 27.872 -23.072 2.607 1.00 0.34 1SIP 912 HETATM 786 O HOH 25 26.265 -21.222 -0.146 1.00 0.43 1SIP 913 HETATM 787 O HOH 26 26.779 -21.902 -2.792 1.00 0.35 1SIP 914 HETATM 788 O HOH 27 32.500 -19.242 0.451 1.00 0.42 1SIP 915 HETATM 789 O HOH 28 10.585 -11.087 20.217 1.00 0.55 1SIP 916 HETATM 790 O HOH 29 19.633 -12.288 22.243 1.00 0.48 1SIP 917 HETATM 791 O HOH 30 13.909 -10.575 22.082 1.00 0.59 1SIP 918 HETATM 792 O HOH 31 7.730 -10.794 12.672 1.00 0.58 1SIP 919 HETATM 793 O HOH 32 26.706 -28.780 24.937 1.00 0.43 1SIP 920 HETATM 794 O HOH 33 5.459 -14.021 5.156 1.00 0.37 1SIP 921 HETATM 795 O HOH 34 7.849 -13.001 7.707 1.00 0.44 1SIP 922 HETATM 796 O HOH 35 8.618 -15.018 6.955 1.00 0.53 1SIP 923 HETATM 797 O HOH 36 18.834 1.575 5.933 1.00 0.42 1SIP 924 HETATM 798 O HOH 37 35.594 -17.683 13.646 1.00 0.57 1SIP 925 HETATM 799 O HOH 38 12.092 -19.001 8.075 1.00 0.40 1SIP 926 HETATM 800 O HOH 39 25.390 -20.041 3.076 1.00 0.37 1SIP 927 HETATM 801 O HOH 40 27.322 -26.100 27.358 1.00 0.38 1SIP 928 MASTER 85 0 0 1 7 3 1 6 800 1 0 8 1SIP 929 END 1SIP 930