mirror of https://github.com/CGAL/cgal
693 lines
55 KiB
Plaintext
693 lines
55 KiB
Plaintext
HEADER PROTEINASE INHIBITOR (CHYMOTRYPSIN) 05-SEP-88 2CI2 2CI2 3
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COMPND CHYMOTRYPSIN INHIBITOR 2 (/CI$-2) 2CI2 4
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SOURCE BARLEY (HORDEUM $VULGARE, HIPROLY STRAIN) SEEDS 2CI2 5
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AUTHOR C.A.MC*PHALEN,M.N.G.JAMES 2CI2 6
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REVDAT 1 07-SEP-88 2CI2 0 2CI2 7
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JRNL AUTH C.A.MC*PHALEN,M.N.G.JAMES 2CI2 8
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JRNL TITL CRYSTAL AND MOLECULAR STRUCTURE OF THE SERINE 2CI2 9
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JRNL TITL 2 PROTEINASE INHIBITOR /CI$-2 FROM BARLEY SEEDS 2CI2 10
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JRNL REF BIOCHEMISTRY V. 26 261 1987 2CI2 11
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JRNL REFN ASTM BICHAW US ISSN 0006-2960 033 2CI2 12
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REMARK 1 2CI2 13
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REMARK 1 REFERENCE 1 2CI2 14
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REMARK 1 AUTH G.M.CLORE,A.M.GRONENBORN,M.N.G.JAMES,M.KJAER, 2CI2 15
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REMARK 1 AUTH 2 C.A.MC*PHALEN,F.M.POULSEN 2CI2 16
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REMARK 1 TITL COMPARISON OF THE SOLUTION AND X-RAY STRUCTURES OF 2CI2 17
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REMARK 1 TITL 2 BARLEY SERINE PROTEINASE INHIBITOR 2 2CI2 18
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REMARK 1 REF PROTEIN ENG. V. 1 313 1987 2CI2 19
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REMARK 1 REFN ASTM PRENE9 UK ISSN 0269-2139 859 2CI2 20
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REMARK 1 REFERENCE 2 2CI2 21
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REMARK 1 AUTH C.A.MC*PHALEN,I.SVENDSEN,I.JONASSEN,M.N.G.JAMES 2CI2 22
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REMARK 1 TITL CRYSTAL AND MOLECULAR STRUCTURE OF CHYMOTRYPSIN 2CI2 23
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REMARK 1 TITL 2 INHIBITOR 2 FROM BARLEY SEEDS IN COMPLEX WITH 2CI2 24
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REMARK 1 TITL 3 SUBTILISIN NOVO 2CI2 25
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REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 82 7242 1985 2CI2 26
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REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 040 2CI2 27
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REMARK 1 REFERENCE 3 2CI2 28
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REMARK 1 AUTH C.A.MC*PHALEN,C.EVANS,K.HAYAKAWA,I.JONASSEN, 2CI2 29
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REMARK 1 AUTH 2 I.SVENDSEN,M.N.G.JAMES 2CI2 30
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REMARK 1 TITL PRELIMINARY CRYSTALLOGRAPHIC DATA FOR THE SERINE 2CI2 31
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REMARK 1 TITL 2 PROTEASE INHIBITOR /CI$-2 FROM BARLEY SEEDS 2CI2 32
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REMARK 1 REF J.MOL.BIOL. V. 168 445 1983 2CI2 33
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REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 2CI2 34
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REMARK 2 2CI2 35
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REMARK 2 RESOLUTION. 2.0 ANGSTROMS. 2CI2 36
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REMARK 3 2CI2 37
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REMARK 3 REFINEMENT. BY THE RESTRAINED LEAST SQUARES PROCEDURE OF J. 2CI2 38
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REMARK 3 KONNERT AND. W. HENDRICKSON (PROGRAM *PROLSQ*). THE R 2CI2 39
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REMARK 3 VALUE IS 0.198 FOR DATA IN THE RESOLUTION RANGE 8.0 TO 2.0 2CI2 40
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REMARK 3 ANGSTROMS WITH I .GT. SIGMA(I). 2CI2 41
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REMARK 3 2CI2 42
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REMARK 3 NUMBER OF PROTEIN ATOMS 521 2CI2 43
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REMARK 3 NUMBER OF SOLVENT ATOMS 64 2CI2 44
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REMARK 3 NUMBER OF VARIABLE PARAMETERS 2405 2CI2 45
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REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES (THE VALUES OF 2CI2 46
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REMARK 3 SIGMA, IN PARENTHESES, ARE THE INPUT ESTIMATED 2CI2 47
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REMARK 3 STANDARD DEVIATIONS THAT DETERMINE THE RELATIVE 2CI2 48
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REMARK 3 WEIGHTS OF THE CORRESPONDING RESTRAINTS) 2CI2 49
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REMARK 3 DISTANCE RESTRAINTS (ANGSTROMS) 2CI2 50
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REMARK 3 BOND DISTANCE 0.007(0.008) 2CI2 51
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REMARK 3 ANGLE DISTANCE 0.029(0.016) 2CI2 52
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REMARK 3 PLANAR 1-4 DISTANCE 0.021(0.016) 2CI2 53
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REMARK 3 PLANE RESTRAINT (ANGSTROMS) 0.014(0.012) 2CI2 54
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REMARK 3 CHIRAL-CENTER RESTRAINT (ANGSTROMS**3) 0.123(0.080) 2CI2 55
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REMARK 3 NON-BONDED CONTACT RESTRAINTS (ANGSTROMS) 2CI2 56
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REMARK 3 SINGLE TORSION CONTACT 0.297(0.400) 2CI2 57
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REMARK 3 MULTIPLE TORSION CONTACT 0.276(0.400) 2CI2 58
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REMARK 3 POSSIBLE HYDROGEN BOND 0.240(0.400) 2CI2 59
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REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINT (DEGREES) 2CI2 60
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REMARK 3 PLANAR (OMEGA) 3.0(2.8) 2CI2 61
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REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS (ANGSTROMS**2) 2CI2 62
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REMARK 3 MAIN-CHAIN BOND 1.956(2.000) 2CI2 63
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REMARK 3 MAIN-CHAIN ANGLE 2.909(2.000) 2CI2 64
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REMARK 3 SIDE-CHAIN BOND 3.611(3.000) 2CI2 65
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REMARK 3 SIDE-CHAIN ANGLE 5.285(3.000) 2CI2 66
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REMARK 4 2CI2 67
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REMARK 4 NO ELECTRON DENSITY WAS SEEN FOR RESIDUES 1 THROUGH 18 IN 2CI2 68
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REMARK 4 FOURIER MAPS AT ANY STAGE OF REFINEMENT. IT IS LIKELY THAT 2CI2 69
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REMARK 4 THE FIRST 18 RESIDUES OF CI-2 ARE NOT PRESENT IN THE 2CI2 70
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REMARK 4 CRYSTALLIZED INHIBITOR. SEE THE REFERENCE CITED ON THE 2CI2 71
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REMARK 4 *JRNL* RECORDS ABOVE FOR DETAILS. 2CI2 72
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REMARK 5 2CI2 73
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REMARK 5 THE ORDER OF THE FIRST FOUR RESIDUES PRESENTED ON THE 2CI2 74
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REMARK 5 *SEQRES* RECORDS BELOW IS UNKNOWN. 2CI2 75
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REMARK 6 2CI2 76
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REMARK 6 THE SHEET SPECIFIED BELOW IS AN IRREGULAR SHEET. ALL BUT 2CI2 77
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REMARK 6 ONE HYDROGEN BOND BETWEEN STRANDS 2 AND 3 ARE PROVIDED BY 2CI2 78
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REMARK 6 BRIDGING WATER MOLECULES. SEE THE REFERENCE CITED ON THE 2CI2 79
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REMARK 6 *JRNL* RECORDS ABOVE FOR DETAILS. 2CI2 80
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SEQRES 1 I 83 GLX VAL SER SER LYS LYS PRO GLU GLY VAL ASN THR GLY 2CI2 81
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SEQRES 2 I 83 ALA GLY ASP ARG HIS ASN LEU LYS THR GLU TRP PRO GLU 2CI2 82
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SEQRES 3 I 83 LEU VAL GLY LYS SER VAL GLU GLU ALA LYS LYS VAL ILE 2CI2 83
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SEQRES 4 I 83 LEU GLN ASP LYS PRO GLU ALA GLN ILE ILE VAL LEU PRO 2CI2 84
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SEQRES 5 I 83 VAL GLY THR ILE VAL THR MET GLU TYR ARG ILE ASP ARG 2CI2 85
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SEQRES 6 I 83 VAL ARG LEU PHE VAL ASP LYS LEU ASP ASN ILE ALA GLU 2CI2 86
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SEQRES 7 I 83 VAL PRO ARG VAL GLY 2CI2 87
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FORMUL 2 HOH *64(H2 O1) 2CI2 88
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HELIX 1 A SER I 31 LYS I 43 1 2CI2 89
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SHEET 1 S1 4 THR I 22 TRP I 24 0 2CI2 90
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SHEET 2 S1 4 PRO I 80 GLY I 83 -1 N VAL I 82 O THR I 22 2CI2 91
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SHEET 3 S1 4 ASP I 64 ASP I 71 -1 O ARG I 65 N GLY I 83 2CI2 92
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SHEET 4 S1 4 GLN I 47 VAL I 53 1 N GLN I 47 O ASP I 64 2CI2 93
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TURN 1 T1 TRP I 24 LEU I 27 2CI2 94
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TURN 2 T2 LEU I 27 LYS I 30 2CI2 95
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TURN 3 T3 LYS I 43 ALA I 46 2CI2 96
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TURN 4 T4 ARG I 62 ARG I 65 2CI2 97
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TURN 5 T5 ASP I 71 ASP I 74 2CI2 98
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SITE 1 RSB 2 MET I 59 GLU I 60 2CI2 99
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CRYST1 69.015 69.015 52.890 90.00 90.00 120.00 P 6 2 2 12 2CI2 100
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ORIGX1 0.014490 0.008366 0.000000 0.00000 2CI2 101
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ORIGX2 0.000000 0.016731 0.000000 0.00000 2CI2 102
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ORIGX3 0.000000 0.000000 0.018907 0.00000 2CI2 103
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SCALE1 0.014490 0.008366 0.000000 0.00000 2CI2 104
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SCALE2 0.000000 0.016731 0.000000 0.00000 2CI2 105
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SCALE3 0.000000 0.000000 0.018907 0.00000 2CI2 106
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ATOM 131 N ASN I 19 13.270 -37.510 4.242 1.00 57.52 2CI2 107
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ATOM 132 CA ASN I 19 11.912 -37.066 4.598 1.00 57.72 2CI2 108
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ATOM 133 C ASN I 19 11.944 -35.563 4.896 1.00 57.15 2CI2 109
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ATOM 134 O ASN I 19 12.868 -34.849 4.470 1.00 57.88 2CI2 110
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ATOM 135 CB ASN I 19 11.343 -37.905 5.734 1.00 60.98 2CI2 111
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ATOM 136 CG ASN I 19 12.005 -39.260 5.880 1.00 63.99 2CI2 112
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ATOM 137 OD1 ASN I 19 11.372 -40.233 6.316 1.00 66.43 2CI2 113
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ATOM 138 ND2 ASN I 19 13.283 -39.348 5.517 1.00 65.02 2CI2 114
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ATOM 139 N LEU I 20 10.919 -35.133 5.612 1.00 55.25 2CI2 115
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ATOM 140 CA LEU I 20 10.764 -33.739 6.038 1.00 50.58 2CI2 116
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ATOM 141 C LEU I 20 9.309 -33.373 6.344 1.00 47.16 2CI2 117
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ATOM 142 O LEU I 20 8.391 -33.655 5.556 1.00 45.57 2CI2 118
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ATOM 143 CB LEU I 20 11.424 -32.834 4.989 1.00 50.13 2CI2 119
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ATOM 144 CG LEU I 20 12.284 -31.692 5.507 1.00 50.99 2CI2 120
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ATOM 145 CD1 LEU I 20 13.117 -32.121 6.709 1.00 49.77 2CI2 121
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ATOM 146 CD2 LEU I 20 13.188 -31.215 4.370 1.00 52.95 2CI2 122
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ATOM 147 N LYS I 21 9.142 -32.770 7.517 1.00 42.72 2CI2 123
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ATOM 148 CA LYS I 21 7.845 -32.224 7.934 1.00 37.90 2CI2 124
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ATOM 149 C LYS I 21 8.045 -30.702 7.777 1.00 34.37 2CI2 125
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ATOM 150 O LYS I 21 8.932 -30.143 8.433 1.00 34.11 2CI2 126
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ATOM 151 CB LYS I 21 7.274 -32.526 9.297 1.00 35.30 2CI2 127
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ATOM 152 CG LYS I 21 5.763 -32.219 9.350 1.00 27.47 2CI2 128
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ATOM 153 CD LYS I 21 5.184 -32.467 10.728 1.00 28.32 2CI2 129
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ATOM 154 CE LYS I 21 3.676 -32.404 10.770 1.00 24.21 2CI2 130
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ATOM 155 NZ LYS I 21 3.194 -32.365 12.180 1.00 25.08 2CI2 131
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ATOM 156 N THR I 22 7.264 -30.158 6.866 1.00 31.34 2CI2 132
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ATOM 157 CA THR I 22 7.394 -28.744 6.505 1.00 27.32 2CI2 133
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ATOM 158 C THR I 22 6.144 -27.915 6.711 1.00 25.34 2CI2 134
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ATOM 159 O THR I 22 6.231 -26.683 6.537 1.00 24.28 2CI2 135
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ATOM 160 CB THR I 22 7.880 -28.674 4.996 1.00 25.48 2CI2 136
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ATOM 161 OG1 THR I 22 6.848 -29.388 4.246 1.00 25.70 2CI2 137
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ATOM 162 CG2 THR I 22 9.269 -29.293 4.817 1.00 27.40 2CI2 138
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ATOM 163 N GLU I 23 5.058 -28.574 7.079 1.00 23.62 2CI2 139
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ATOM 164 CA GLU I 23 3.798 -27.838 7.306 1.00 19.26 2CI2 140
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ATOM 165 C GLU I 23 2.991 -28.448 8.428 1.00 17.05 2CI2 141
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ATOM 166 O GLU I 23 2.997 -29.675 8.600 1.00 15.10 2CI2 142
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ATOM 167 CB GLU I 23 3.010 -27.695 6.045 1.00 23.29 2CI2 143
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ATOM 168 CG GLU I 23 2.195 -28.851 5.463 1.00 29.02 2CI2 144
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ATOM 169 CD GLU I 23 1.517 -28.258 4.241 1.00 33.08 2CI2 145
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ATOM 170 OE1 GLU I 23 2.221 -27.701 3.413 1.00 37.10 2CI2 146
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ATOM 171 OE2 GLU I 23 0.282 -28.290 4.322 1.00 39.26 2CI2 147
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ATOM 172 N TRP I 24 2.377 -27.565 9.190 1.00 14.26 2CI2 148
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ATOM 173 CA TRP I 24 1.619 -27.918 10.393 1.00 16.19 2CI2 149
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ATOM 174 C TRP I 24 0.164 -27.440 10.332 1.00 16.38 2CI2 150
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ATOM 175 O TRP I 24 -0.271 -26.673 11.204 1.00 16.67 2CI2 151
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ATOM 176 CB TRP I 24 2.335 -27.417 11.654 1.00 13.74 2CI2 152
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ATOM 177 CG TRP I 24 3.612 -28.094 12.010 1.00 17.24 2CI2 153
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ATOM 178 CD1 TRP I 24 3.795 -29.111 12.912 1.00 16.31 2CI2 154
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ATOM 179 CD2 TRP I 24 4.910 -27.835 11.449 1.00 14.54 2CI2 155
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ATOM 180 NE1 TRP I 24 5.111 -29.494 12.944 1.00 14.15 2CI2 156
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ATOM 181 CE2 TRP I 24 5.815 -28.737 12.055 1.00 15.43 2CI2 157
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ATOM 182 CE3 TRP I 24 5.370 -26.963 10.472 1.00 14.87 2CI2 158
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ATOM 183 CZ2 TRP I 24 7.168 -28.754 11.745 1.00 16.89 2CI2 159
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ATOM 184 CZ3 TRP I 24 6.711 -26.976 10.148 1.00 14.60 2CI2 160
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ATOM 185 CH2 TRP I 24 7.592 -27.859 10.769 1.00 17.78 2CI2 161
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ATOM 186 N PRO I 25 -0.557 -27.946 9.346 1.00 19.10 2CI2 162
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ATOM 187 CA PRO I 25 -1.975 -27.643 9.147 1.00 18.76 2CI2 163
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ATOM 188 C PRO I 25 -2.813 -27.859 10.394 1.00 19.70 2CI2 164
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ATOM 189 O PRO I 25 -3.818 -27.153 10.578 1.00 21.19 2CI2 165
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ATOM 190 CB PRO I 25 -2.427 -28.583 8.029 1.00 20.05 2CI2 166
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ATOM 191 CG PRO I 25 -1.359 -29.647 7.975 1.00 19.41 2CI2 167
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ATOM 192 CD PRO I 25 -0.074 -28.903 8.326 1.00 18.83 2CI2 168
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ATOM 193 N GLU I 26 -2.423 -28.821 11.209 1.00 20.43 2CI2 169
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ATOM 194 CA GLU I 26 -3.144 -29.188 12.429 1.00 19.22 2CI2 170
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ATOM 195 C GLU I 26 -3.049 -28.085 13.478 1.00 19.21 2CI2 171
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ATOM 196 O GLU I 26 -3.689 -28.202 14.531 1.00 21.13 2CI2 172
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ATOM 197 CB GLU I 26 -2.567 -30.438 13.098 1.00 22.19 2CI2 173
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ATOM 198 CG GLU I 26 -1.177 -30.335 13.745 1.00 21.65 2CI2 174
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ATOM 199 CD GLU I 26 -0.044 -30.775 12.862 1.00 20.90 2CI2 175
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ATOM 200 OE1 GLU I 26 -0.080 -30.647 11.658 1.00 14.10 2CI2 176
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ATOM 201 OE2 GLU I 26 0.922 -31.309 13.445 1.00 24.93 2CI2 177
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ATOM 202 N LEU I 27 -2.238 -27.086 13.191 1.00 17.70 2CI2 178
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ATOM 203 CA LEU I 27 -1.984 -26.008 14.143 1.00 16.78 2CI2 179
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ATOM 204 C LEU I 27 -2.874 -24.787 14.000 1.00 14.89 2CI2 180
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ATOM 205 O LEU I 27 -2.836 -24.019 14.989 1.00 15.43 2CI2 181
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ATOM 206 CB LEU I 27 -0.479 -25.685 14.144 1.00 18.14 2CI2 182
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ATOM 207 CG LEU I 27 0.431 -26.695 14.831 1.00 20.69 2CI2 183
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ATOM 208 CD1 LEU I 27 1.887 -26.248 14.756 1.00 23.78 2CI2 184
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ATOM 209 CD2 LEU I 27 -0.001 -26.836 16.287 1.00 18.89 2CI2 185
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ATOM 210 N VAL I 28 -3.593 -24.621 12.902 1.00 14.14 2CI2 186
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ATOM 211 CA VAL I 28 -4.454 -23.429 12.783 1.00 12.54 2CI2 187
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ATOM 212 C VAL I 28 -5.403 -23.380 13.979 1.00 13.06 2CI2 188
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ATOM 213 O VAL I 28 -6.045 -24.383 14.320 1.00 14.30 2CI2 189
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ATOM 214 CB VAL I 28 -5.161 -23.338 11.436 1.00 14.01 2CI2 190
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ATOM 215 CG1 VAL I 28 -6.027 -22.075 11.346 1.00 14.05 2CI2 191
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ATOM 216 CG2 VAL I 28 -4.190 -23.415 10.264 1.00 13.54 2CI2 192
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ATOM 217 N GLY I 29 -5.433 -22.237 14.631 1.00 12.49 2CI2 193
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ATOM 218 CA GLY I 29 -6.293 -21.956 15.772 1.00 12.66 2CI2 194
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ATOM 219 C GLY I 29 -5.701 -22.103 17.154 1.00 13.68 2CI2 195
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ATOM 220 O GLY I 29 -6.272 -21.579 18.129 1.00 12.22 2CI2 196
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ATOM 221 N LYS I 30 -4.604 -22.822 17.248 1.00 12.70 2CI2 197
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ATOM 222 CA LYS I 30 -3.896 -23.079 18.506 1.00 14.92 2CI2 198
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ATOM 223 C LYS I 30 -3.027 -21.887 18.909 1.00 13.30 2CI2 199
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ATOM 224 O LYS I 30 -2.670 -21.045 18.078 1.00 14.33 2CI2 200
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ATOM 225 CB LYS I 30 -3.026 -24.330 18.393 1.00 17.67 2CI2 201
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ATOM 226 CG LYS I 30 -3.741 -25.495 17.710 1.00 22.39 2CI2 202
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ATOM 227 CD LYS I 30 -3.498 -26.806 18.425 1.00 23.93 2CI2 203
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ATOM 228 CE LYS I 30 -4.686 -27.741 18.363 1.00 31.09 2CI2 204
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ATOM 229 NZ LYS I 30 -5.641 -27.360 17.290 1.00 34.91 2CI2 205
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ATOM 230 N SER I 31 -2.722 -21.833 20.192 1.00 14.78 2CI2 206
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ATOM 231 CA SER I 31 -1.879 -20.773 20.760 1.00 15.00 2CI2 207
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ATOM 232 C SER I 31 -0.441 -20.978 20.273 1.00 15.62 2CI2 208
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ATOM 233 O SER I 31 -0.049 -22.057 19.812 1.00 15.37 2CI2 209
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ATOM 234 CB SER I 31 -1.962 -20.751 22.276 1.00 14.91 2CI2 210
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ATOM 235 OG SER I 31 -1.076 -21.705 22.833 1.00 15.27 2CI2 211
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ATOM 236 N VAL I 32 0.300 -19.886 20.370 1.00 18.52 2CI2 212
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ATOM 237 CA VAL I 32 1.717 -19.835 20.003 1.00 16.46 2CI2 213
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ATOM 238 C VAL I 32 2.491 -20.764 20.945 1.00 16.12 2CI2 214
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ATOM 239 O VAL I 32 3.425 -21.427 20.495 1.00 16.39 2CI2 215
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ATOM 240 CB VAL I 32 2.268 -18.404 19.983 1.00 20.13 2CI2 216
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ATOM 241 CG1 VAL I 32 3.770 -18.408 20.295 1.00 22.99 2CI2 217
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ATOM 242 CG2 VAL I 32 2.032 -17.676 18.666 1.00 17.66 2CI2 218
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ATOM 243 N GLU I 33 2.078 -20.829 22.191 1.00 17.43 2CI2 219
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ATOM 244 CA GLU I 33 2.701 -21.664 23.222 1.00 19.39 2CI2 220
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ATOM 245 C GLU I 33 2.559 -23.138 22.851 1.00 20.42 2CI2 221
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ATOM 246 O GLU I 33 3.544 -23.906 22.774 1.00 20.10 2CI2 222
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ATOM 247 CB GLU I 33 2.121 -21.375 24.591 1.00 28.51 2CI2 223
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ATOM 248 CG GLU I 33 1.282 -20.147 24.847 1.00 41.74 2CI2 224
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ATOM 249 CD GLU I 33 1.059 -19.037 23.883 1.00 45.30 2CI2 225
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ATOM 250 OE1 GLU I 33 0.148 -18.217 23.941 1.00 46.73 2CI2 226
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ATOM 251 OE2 GLU I 33 1.912 -18.948 22.970 1.00 53.43 2CI2 227
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ATOM 252 N GLU I 34 1.326 -23.515 22.545 1.00 18.24 2CI2 228
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ATOM 253 CA GLU I 34 0.995 -24.867 22.108 1.00 17.75 2CI2 229
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ATOM 254 C GLU I 34 1.750 -25.158 20.810 1.00 18.11 2CI2 230
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ATOM 255 O GLU I 34 2.423 -26.201 20.740 1.00 20.56 2CI2 231
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ATOM 256 CB GLU I 34 -0.482 -25.120 21.881 1.00 20.05 2CI2 232
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ATOM 257 CG GLU I 34 -1.533 -24.790 22.925 1.00 26.42 2CI2 233
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ATOM 258 CD GLU I 34 -2.967 -25.103 22.598 1.00 29.37 2CI2 234
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ATOM 259 OE1 GLU I 34 -3.455 -26.226 22.649 1.00 31.64 2CI2 235
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ATOM 260 OE2 GLU I 34 -3.643 -24.098 22.267 1.00 27.80 2CI2 236
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ATOM 261 N ALA I 35 1.657 -24.281 19.832 1.00 14.83 2CI2 237
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ATOM 262 CA ALA I 35 2.301 -24.450 18.528 1.00 15.06 2CI2 238
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ATOM 263 C ALA I 35 3.813 -24.601 18.547 1.00 15.32 2CI2 239
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ATOM 264 O ALA I 35 4.350 -25.396 17.757 1.00 14.08 2CI2 240
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ATOM 265 CB ALA I 35 1.830 -23.345 17.595 1.00 15.31 2CI2 241
|
|
ATOM 266 N LYS I 36 4.507 -23.894 19.410 1.00 17.27 2CI2 242
|
|
ATOM 267 CA LYS I 36 5.962 -23.951 19.582 1.00 21.30 2CI2 243
|
|
ATOM 268 C LYS I 36 6.380 -25.393 19.932 1.00 22.84 2CI2 244
|
|
ATOM 269 O LYS I 36 7.258 -26.038 19.349 1.00 24.08 2CI2 245
|
|
ATOM 270 CB LYS I 36 6.434 -23.122 20.776 1.00 24.87 2CI2 246
|
|
ATOM 271 CG LYS I 36 7.002 -21.736 20.526 1.00 28.26 2CI2 247
|
|
ATOM 272 CD LYS I 36 7.306 -21.034 21.850 1.00 30.78 2CI2 248
|
|
ATOM 273 CE LYS I 36 7.796 -19.617 21.627 1.00 35.81 2CI2 249
|
|
ATOM 274 NZ LYS I 36 7.133 -18.641 22.527 1.00 35.81 2CI2 250
|
|
ATOM 275 N LYS I 37 5.723 -25.853 20.976 1.00 22.87 2CI2 251
|
|
ATOM 276 CA LYS I 37 5.845 -27.168 21.584 1.00 22.10 2CI2 252
|
|
ATOM 277 C LYS I 37 5.736 -28.313 20.594 1.00 21.22 2CI2 253
|
|
ATOM 278 O LYS I 37 6.480 -29.300 20.733 1.00 23.27 2CI2 254
|
|
ATOM 279 CB LYS I 37 4.737 -27.336 22.629 1.00 27.93 2CI2 255
|
|
ATOM 280 CG LYS I 37 4.920 -28.562 23.515 1.00 32.57 2CI2 256
|
|
ATOM 281 CD LYS I 37 4.224 -28.337 24.851 1.00 40.46 2CI2 257
|
|
ATOM 282 CE LYS I 37 5.116 -27.599 25.832 1.00 44.72 2CI2 258
|
|
ATOM 283 NZ LYS I 37 5.032 -26.134 25.566 1.00 49.32 2CI2 259
|
|
ATOM 284 N VAL I 38 4.840 -28.194 19.634 1.00 19.75 2CI2 260
|
|
ATOM 285 CA VAL I 38 4.604 -29.219 18.615 1.00 15.32 2CI2 261
|
|
ATOM 286 C VAL I 38 5.710 -29.152 17.567 1.00 15.61 2CI2 262
|
|
ATOM 287 O VAL I 38 6.352 -30.174 17.282 1.00 15.26 2CI2 263
|
|
ATOM 288 CB VAL I 38 3.190 -29.150 18.018 1.00 14.16 2CI2 264
|
|
ATOM 289 CG1 VAL I 38 3.086 -29.925 16.709 1.00 14.89 2CI2 265
|
|
ATOM 290 CG2 VAL I 38 2.129 -29.627 18.988 1.00 12.55 2CI2 266
|
|
ATOM 291 N ILE I 39 5.911 -27.960 17.040 1.00 16.80 2CI2 267
|
|
ATOM 292 CA ILE I 39 6.950 -27.739 16.032 1.00 15.41 2CI2 268
|
|
ATOM 293 C ILE I 39 8.308 -28.212 16.538 1.00 16.48 2CI2 269
|
|
ATOM 294 O ILE I 39 9.023 -28.878 15.765 1.00 18.13 2CI2 270
|
|
ATOM 295 CB ILE I 39 7.012 -26.274 15.505 1.00 16.94 2CI2 271
|
|
ATOM 296 CG1 ILE I 39 5.719 -25.949 14.709 1.00 21.24 2CI2 272
|
|
ATOM 297 CG2 ILE I 39 8.263 -26.029 14.605 1.00 16.53 2CI2 273
|
|
ATOM 298 CD1 ILE I 39 5.392 -24.431 14.610 1.00 23.27 2CI2 274
|
|
ATOM 299 N LEU I 40 8.657 -27.855 17.757 1.00 16.17 2CI2 275
|
|
ATOM 300 CA LEU I 40 9.982 -28.217 18.293 1.00 18.63 2CI2 276
|
|
ATOM 301 C LEU I 40 10.132 -29.728 18.443 1.00 21.07 2CI2 277
|
|
ATOM 302 O LEU I 40 11.247 -30.268 18.393 1.00 20.70 2CI2 278
|
|
ATOM 303 CB LEU I 40 10.263 -27.405 19.554 1.00 18.61 2CI2 279
|
|
ATOM 304 CG LEU I 40 10.842 -26.016 19.388 1.00 17.07 2CI2 280
|
|
ATOM 305 CD1 LEU I 40 11.090 -25.396 20.764 1.00 23.85 2CI2 281
|
|
ATOM 306 CD2 LEU I 40 12.141 -26.077 18.591 1.00 19.94 2CI2 282
|
|
ATOM 307 N GLN I 41 9.000 -30.365 18.645 1.00 23.16 2CI2 283
|
|
ATOM 308 CA GLN I 41 8.891 -31.825 18.774 1.00 25.25 2CI2 284
|
|
ATOM 309 C GLN I 41 9.318 -32.433 17.438 1.00 24.46 2CI2 285
|
|
ATOM 310 O GLN I 41 10.207 -33.288 17.402 1.00 26.23 2CI2 286
|
|
ATOM 311 CB GLN I 41 7.474 -32.234 19.153 1.00 32.52 2CI2 287
|
|
ATOM 312 CG GLN I 41 7.314 -33.577 19.818 1.00 42.96 2CI2 288
|
|
ATOM 313 CD GLN I 41 6.509 -33.578 21.095 1.00 46.29 2CI2 289
|
|
ATOM 314 OE1 GLN I 41 6.503 -32.634 21.887 1.00 49.82 2CI2 290
|
|
ATOM 315 NE2 GLN I 41 5.821 -34.705 21.308 1.00 48.08 2CI2 291
|
|
ATOM 316 N ASP I 42 8.727 -31.943 16.370 1.00 23.73 2CI2 292
|
|
ATOM 317 CA ASP I 42 8.929 -32.383 14.999 1.00 22.62 2CI2 293
|
|
ATOM 318 C ASP I 42 10.168 -31.830 14.286 1.00 21.24 2CI2 294
|
|
ATOM 319 O ASP I 42 10.572 -32.414 13.266 1.00 20.70 2CI2 295
|
|
ATOM 320 CB ASP I 42 7.739 -32.008 14.101 1.00 21.43 2CI2 296
|
|
ATOM 321 CG ASP I 42 6.391 -32.554 14.478 1.00 24.49 2CI2 297
|
|
ATOM 322 OD1 ASP I 42 6.224 -33.424 15.341 1.00 30.00 2CI2 298
|
|
ATOM 323 OD2 ASP I 42 5.429 -32.063 13.853 1.00 23.55 2CI2 299
|
|
ATOM 324 N LYS I 43 10.612 -30.682 14.732 1.00 20.73 2CI2 300
|
|
ATOM 325 CA LYS I 43 11.762 -29.988 14.115 1.00 18.42 2CI2 301
|
|
ATOM 326 C LYS I 43 12.565 -29.299 15.217 1.00 18.96 2CI2 302
|
|
ATOM 327 O LYS I 43 12.452 -28.083 15.438 1.00 19.44 2CI2 303
|
|
ATOM 328 CB LYS I 43 11.264 -29.036 13.050 1.00 15.53 2CI2 304
|
|
ATOM 329 CG LYS I 43 12.282 -28.156 12.359 1.00 16.07 2CI2 305
|
|
ATOM 330 CD LYS I 43 11.660 -27.262 11.302 1.00 13.64 2CI2 306
|
|
ATOM 331 CE LYS I 43 12.715 -26.577 10.456 1.00 14.15 2CI2 307
|
|
ATOM 332 NZ LYS I 43 13.226 -27.491 9.406 1.00 10.85 2CI2 308
|
|
ATOM 333 N PRO I 44 13.352 -30.106 15.923 1.00 16.81 2CI2 309
|
|
ATOM 334 CA PRO I 44 14.183 -29.654 17.033 1.00 17.34 2CI2 310
|
|
ATOM 335 C PRO I 44 15.097 -28.476 16.764 1.00 12.69 2CI2 311
|
|
ATOM 336 O PRO I 44 15.460 -27.793 17.739 1.00 18.82 2CI2 312
|
|
ATOM 337 CB PRO I 44 14.982 -30.902 17.434 1.00 19.36 2CI2 313
|
|
ATOM 338 CG PRO I 44 14.134 -32.063 16.974 1.00 17.24 2CI2 314
|
|
ATOM 339 CD PRO I 44 13.482 -31.566 15.700 1.00 18.51 2CI2 315
|
|
ATOM 340 N GLU I 45 15.470 -28.229 15.542 1.00 13.52 2CI2 316
|
|
ATOM 341 CA GLU I 45 16.354 -27.129 15.131 1.00 14.95 2CI2 317
|
|
ATOM 342 C GLU I 45 15.625 -25.881 14.626 1.00 17.15 2CI2 318
|
|
ATOM 343 O GLU I 45 16.271 -24.911 14.173 1.00 16.32 2CI2 319
|
|
ATOM 344 CB GLU I 45 17.248 -27.546 13.952 1.00 9.98 2CI2 320
|
|
ATOM 345 CG GLU I 45 16.644 -27.572 12.557 1.00 10.75 2CI2 321
|
|
ATOM 346 CD GLU I 45 15.732 -28.688 12.165 1.00 8.14 2CI2 322
|
|
ATOM 347 OE1 GLU I 45 15.371 -28.890 11.021 1.00 10.38 2CI2 323
|
|
ATOM 348 OE2 GLU I 45 15.335 -29.407 13.092 1.00 7.28 2CI2 324
|
|
ATOM 349 N ALA I 46 14.296 -25.926 14.640 1.00 16.99 2CI2 325
|
|
ATOM 350 CA ALA I 46 13.480 -24.810 14.160 1.00 16.57 2CI2 326
|
|
ATOM 351 C ALA I 46 13.766 -23.529 14.960 1.00 16.97 2CI2 327
|
|
ATOM 352 O ALA I 46 13.978 -23.500 16.191 1.00 14.42 2CI2 328
|
|
ATOM 353 CB ALA I 46 12.006 -25.178 14.177 1.00 18.81 2CI2 329
|
|
ATOM 354 N GLN I 47 13.808 -22.469 14.161 1.00 15.12 2CI2 330
|
|
ATOM 355 CA GLN I 47 13.934 -21.079 14.630 1.00 15.59 2CI2 331
|
|
ATOM 356 C GLN I 47 12.529 -20.488 14.404 1.00 14.48 2CI2 332
|
|
ATOM 357 O GLN I 47 12.125 -20.297 13.255 1.00 15.43 2CI2 333
|
|
ATOM 358 CB GLN I 47 15.042 -20.280 13.971 1.00 14.57 2CI2 334
|
|
ATOM 359 CG GLN I 47 16.441 -20.754 14.352 1.00 20.31 2CI2 335
|
|
ATOM 360 CD GLN I 47 16.787 -20.674 15.818 1.00 20.92 2CI2 336
|
|
ATOM 361 OE1 GLN I 47 16.587 -19.708 16.552 1.00 22.99 2CI2 337
|
|
ATOM 362 NE2 GLN I 47 17.380 -21.750 16.340 1.00 26.19 2CI2 338
|
|
ATOM 363 N ILE I 48 11.802 -20.339 15.498 1.00 16.27 2CI2 339
|
|
ATOM 364 CA ILE I 48 10.406 -19.875 15.481 1.00 15.80 2CI2 340
|
|
ATOM 365 C ILE I 48 10.296 -18.353 15.480 1.00 15.66 2CI2 341
|
|
ATOM 366 O ILE I 48 10.807 -17.686 16.389 1.00 15.96 2CI2 342
|
|
ATOM 367 CB ILE I 48 9.587 -20.549 16.640 1.00 17.30 2CI2 343
|
|
ATOM 368 CG1 ILE I 48 9.667 -22.092 16.476 1.00 16.79 2CI2 344
|
|
ATOM 369 CG2 ILE I 48 8.112 -20.079 16.733 1.00 15.04 2CI2 345
|
|
ATOM 370 CD1 ILE I 48 9.075 -22.874 17.679 1.00 21.73 2CI2 346
|
|
ATOM 371 N ILE I 49 9.612 -17.862 14.459 1.00 14.44 2CI2 347
|
|
ATOM 372 CA ILE I 49 9.350 -16.429 14.248 1.00 12.51 2CI2 348
|
|
ATOM 373 C ILE I 49 7.835 -16.209 14.313 1.00 10.43 2CI2 349
|
|
ATOM 374 O ILE I 49 7.073 -16.959 13.687 1.00 12.52 2CI2 350
|
|
ATOM 375 CB ILE I 49 9.962 -15.963 12.882 1.00 13.39 2CI2 351
|
|
ATOM 376 CG1 ILE I 49 11.499 -16.164 12.865 1.00 15.31 2CI2 352
|
|
ATOM 377 CG2 ILE I 49 9.580 -14.515 12.488 1.00 8.33 2CI2 353
|
|
ATOM 378 CD1 ILE I 49 12.287 -15.564 14.052 1.00 12.08 2CI2 354
|
|
ATOM 379 N VAL I 50 7.424 -15.222 15.077 1.00 9.95 2CI2 355
|
|
ATOM 380 CA VAL I 50 6.021 -14.883 15.315 1.00 9.48 2CI2 356
|
|
ATOM 381 C VAL I 50 5.676 -13.527 14.695 1.00 11.08 2CI2 357
|
|
ATOM 382 O VAL I 50 6.168 -12.524 15.236 1.00 11.22 2CI2 358
|
|
ATOM 383 CB VAL I 50 5.781 -14.853 16.844 1.00 11.04 2CI2 359
|
|
ATOM 384 CG1 VAL I 50 4.377 -14.381 17.212 1.00 12.78 2CI2 360
|
|
ATOM 385 CG2 VAL I 50 6.099 -16.175 17.517 1.00 13.08 2CI2 361
|
|
ATOM 386 N LEU I 51 4.861 -13.525 13.658 1.00 10.84 2CI2 362
|
|
ATOM 387 CA LEU I 51 4.434 -12.286 13.006 1.00 7.63 2CI2 363
|
|
ATOM 388 C LEU I 51 2.903 -12.192 12.917 1.00 8.35 2CI2 364
|
|
ATOM 389 O LEU I 51 2.209 -13.209 12.829 1.00 7.78 2CI2 365
|
|
ATOM 390 CB LEU I 51 5.085 -12.267 11.629 1.00 6.43 2CI2 366
|
|
ATOM 391 CG LEU I 51 6.571 -12.463 11.463 1.00 12.23 2CI2 367
|
|
ATOM 392 CD1 LEU I 51 6.895 -12.729 9.987 1.00 11.51 2CI2 368
|
|
ATOM 393 CD2 LEU I 51 7.308 -11.208 11.927 1.00 10.52 2CI2 369
|
|
ATOM 394 N PRO I 52 2.416 -10.962 12.894 1.00 8.91 2CI2 370
|
|
ATOM 395 CA PRO I 52 0.988 -10.679 12.717 1.00 8.08 2CI2 371
|
|
ATOM 396 C PRO I 52 0.574 -11.041 11.295 1.00 11.02 2CI2 372
|
|
ATOM 397 O PRO I 52 1.382 -10.841 10.366 1.00 11.03 2CI2 373
|
|
ATOM 398 CB PRO I 52 0.884 -9.161 12.910 1.00 8.44 2CI2 374
|
|
ATOM 399 CG PRO I 52 2.188 -8.710 13.474 1.00 8.74 2CI2 375
|
|
ATOM 400 CD PRO I 52 3.218 -9.722 12.987 1.00 8.21 2CI2 376
|
|
ATOM 401 N VAL I 53 -0.653 -11.520 11.104 1.00 13.73 2CI2 377
|
|
ATOM 402 CA VAL I 53 -1.162 -11.852 9.752 1.00 13.43 2CI2 378
|
|
ATOM 403 C VAL I 53 -1.148 -10.553 8.928 1.00 13.53 2CI2 379
|
|
ATOM 404 O VAL I 53 -1.522 -9.509 9.485 1.00 12.58 2CI2 380
|
|
ATOM 405 CB VAL I 53 -2.613 -12.380 9.772 1.00 14.76 2CI2 381
|
|
ATOM 406 CG1 VAL I 53 -3.233 -12.469 8.383 1.00 12.98 2CI2 382
|
|
ATOM 407 CG2 VAL I 53 -2.790 -13.681 10.534 1.00 17.50 2CI2 383
|
|
ATOM 408 N GLY I 54 -0.799 -10.663 7.667 1.00 14.73 2CI2 384
|
|
ATOM 409 CA GLY I 54 -0.750 -9.522 6.759 1.00 17.16 2CI2 385
|
|
ATOM 410 C GLY I 54 0.641 -8.916 6.616 1.00 19.26 2CI2 386
|
|
ATOM 411 O GLY I 54 0.775 -7.922 5.879 1.00 21.70 2CI2 387
|
|
ATOM 412 N THR I 55 1.631 -9.482 7.278 1.00 19.90 2CI2 388
|
|
ATOM 413 CA THR I 55 3.026 -9.024 7.221 1.00 19.01 2CI2 389
|
|
ATOM 414 C THR I 55 3.733 -9.525 5.959 1.00 20.10 2CI2 390
|
|
ATOM 415 O THR I 55 3.723 -10.705 5.577 1.00 20.03 2CI2 391
|
|
ATOM 416 CB THR I 55 3.835 -9.379 8.534 1.00 13.94 2CI2 392
|
|
ATOM 417 OG1 THR I 55 3.039 -8.848 9.638 1.00 14.28 2CI2 393
|
|
ATOM 418 CG2 THR I 55 5.273 -8.870 8.656 1.00 11.44 2CI2 394
|
|
ATOM 419 N ILE I 56 4.366 -8.581 5.287 1.00 21.85 2CI2 395
|
|
ATOM 420 CA ILE I 56 5.139 -8.819 4.064 1.00 26.80 2CI2 396
|
|
ATOM 421 C ILE I 56 6.579 -9.135 4.460 1.00 27.03 2CI2 397
|
|
ATOM 422 O ILE I 56 7.249 -8.267 5.043 1.00 26.20 2CI2 398
|
|
ATOM 423 CB ILE I 56 5.029 -7.574 3.114 1.00 34.95 2CI2 399
|
|
ATOM 424 CG1 ILE I 56 3.532 -7.255 2.850 1.00 37.26 2CI2 400
|
|
ATOM 425 CG2 ILE I 56 5.835 -7.765 1.797 1.00 38.25 2CI2 401
|
|
ATOM 426 CD1 ILE I 56 3.165 -6.922 1.374 1.00 35.14 2CI2 402
|
|
ATOM 427 N VAL I 57 7.016 -10.334 4.135 1.00 28.91 2CI2 403
|
|
ATOM 428 CA VAL I 57 8.379 -10.774 4.491 1.00 31.56 2CI2 404
|
|
ATOM 429 C VAL I 57 9.319 -10.718 3.294 1.00 35.26 2CI2 405
|
|
ATOM 430 O VAL I 57 8.878 -10.587 2.133 1.00 35.25 2CI2 406
|
|
ATOM 431 CB VAL I 57 8.280 -12.143 5.194 1.00 30.70 2CI2 407
|
|
ATOM 432 CG1 VAL I 57 7.631 -12.051 6.575 1.00 31.82 2CI2 408
|
|
ATOM 433 CG2 VAL I 57 7.560 -13.177 4.349 1.00 25.22 2CI2 409
|
|
ATOM 434 N THR I 58 10.607 -10.825 3.594 1.00 38.04 2CI2 410
|
|
ATOM 435 CA THR I 58 11.673 -10.826 2.570 1.00 41.77 2CI2 411
|
|
ATOM 436 C THR I 58 11.719 -12.200 1.893 1.00 42.78 2CI2 412
|
|
ATOM 437 O THR I 58 11.710 -13.236 2.588 1.00 44.39 2CI2 413
|
|
ATOM 438 CB THR I 58 13.075 -10.436 3.177 1.00 43.20 2CI2 414
|
|
ATOM 439 OG1 THR I 58 12.819 -9.628 4.374 1.00 47.09 2CI2 415
|
|
ATOM 440 CG2 THR I 58 14.010 -9.719 2.198 1.00 45.92 2CI2 416
|
|
ATOM 441 N MET I 59 11.805 -12.198 0.578 1.00 42.43 2CI2 417
|
|
ATOM 442 CA MET I 59 11.790 -13.423 -0.231 1.00 42.89 2CI2 418
|
|
ATOM 443 C MET I 59 12.923 -14.402 -0.034 1.00 41.48 2CI2 419
|
|
ATOM 444 O MET I 59 13.182 -15.246 -0.920 1.00 43.82 2CI2 420
|
|
ATOM 445 CB MET I 59 11.487 -13.044 -1.667 1.00 48.81 2CI2 421
|
|
ATOM 446 CG MET I 59 12.377 -13.589 -2.744 1.00 50.54 2CI2 422
|
|
ATOM 447 SD MET I 59 11.939 -12.708 -4.297 1.00 51.98 2CI2 423
|
|
ATOM 448 CE MET I 59 13.386 -11.632 -4.439 1.00 52.05 2CI2 424
|
|
ATOM 449 N GLU I 60 13.534 -14.434 1.126 1.00 41.22 2CI2 425
|
|
ATOM 450 CA GLU I 60 14.630 -15.348 1.473 1.00 39.34 2CI2 426
|
|
ATOM 451 C GLU I 60 14.165 -16.660 2.096 1.00 38.65 2CI2 427
|
|
ATOM 452 O GLU I 60 13.464 -16.641 3.129 1.00 40.31 2CI2 428
|
|
ATOM 453 CB GLU I 60 15.553 -14.670 2.495 1.00 41.16 2CI2 429
|
|
ATOM 454 CG GLU I 60 15.004 -14.303 3.874 1.00 34.03 2CI2 430
|
|
ATOM 455 CD GLU I 60 15.948 -13.599 4.798 1.00 28.96 2CI2 431
|
|
ATOM 456 OE1 GLU I 60 16.303 -12.443 4.660 1.00 30.34 2CI2 432
|
|
ATOM 457 OE2 GLU I 60 16.353 -14.327 5.723 1.00 28.34 2CI2 433
|
|
ATOM 458 N TYR I 61 14.611 -17.778 1.555 1.00 36.27 2CI2 434
|
|
ATOM 459 CA TYR I 61 14.251 -19.116 2.030 1.00 33.51 2CI2 435
|
|
ATOM 460 C TYR I 61 15.194 -19.748 3.044 1.00 33.19 2CI2 436
|
|
ATOM 461 O TYR I 61 16.326 -20.096 2.653 1.00 37.23 2CI2 437
|
|
ATOM 462 CB TYR I 61 14.150 -20.079 0.814 1.00 29.28 2CI2 438
|
|
ATOM 463 CG TYR I 61 13.798 -21.485 1.251 1.00 28.41 2CI2 439
|
|
ATOM 464 CD1 TYR I 61 14.755 -22.500 1.318 1.00 31.55 2CI2 440
|
|
ATOM 465 CD2 TYR I 61 12.497 -21.791 1.634 1.00 27.17 2CI2 441
|
|
ATOM 466 CE1 TYR I 61 14.412 -23.787 1.735 1.00 28.91 2CI2 442
|
|
ATOM 467 CE2 TYR I 61 12.136 -23.065 2.053 1.00 26.04 2CI2 443
|
|
ATOM 468 CZ TYR I 61 13.097 -24.064 2.099 1.00 28.55 2CI2 444
|
|
ATOM 469 OH TYR I 61 12.703 -25.305 2.513 1.00 26.67 2CI2 445
|
|
ATOM 470 N ARG I 62 14.727 -20.014 4.255 1.00 29.39 2CI2 446
|
|
ATOM 471 CA ARG I 62 15.539 -20.644 5.299 1.00 23.99 2CI2 447
|
|
ATOM 472 C ARG I 62 14.903 -21.907 5.873 1.00 22.75 2CI2 448
|
|
ATOM 473 O ARG I 62 13.892 -21.886 6.586 1.00 20.32 2CI2 449
|
|
ATOM 474 CB ARG I 62 15.854 -19.676 6.440 1.00 27.80 2CI2 450
|
|
ATOM 475 CG ARG I 62 16.717 -18.484 6.052 1.00 28.78 2CI2 451
|
|
ATOM 476 CD ARG I 62 18.009 -18.462 6.782 1.00 32.63 2CI2 452
|
|
ATOM 477 NE ARG I 62 17.969 -19.139 8.072 1.00 33.31 2CI2 453
|
|
ATOM 478 CZ ARG I 62 19.023 -19.200 8.893 1.00 31.69 2CI2 454
|
|
ATOM 479 NH1 ARG I 62 20.179 -18.614 8.592 1.00 28.13 2CI2 455
|
|
ATOM 480 NH2 ARG I 62 18.915 -19.879 10.037 1.00 31.67 2CI2 456
|
|
ATOM 481 N ILE I 63 15.581 -23.002 5.623 1.00 17.45 2CI2 457
|
|
ATOM 482 CA ILE I 63 15.194 -24.357 6.003 1.00 18.72 2CI2 458
|
|
ATOM 483 C ILE I 63 14.963 -24.580 7.480 1.00 18.40 2CI2 459
|
|
ATOM 484 O ILE I 63 14.082 -25.410 7.839 1.00 23.17 2CI2 460
|
|
ATOM 485 CB ILE I 63 16.213 -25.314 5.264 1.00 22.99 2CI2 461
|
|
ATOM 486 CG1 ILE I 63 15.612 -26.713 4.984 1.00 26.52 2CI2 462
|
|
ATOM 487 CG2 ILE I 63 17.599 -25.398 5.950 1.00 19.42 2CI2 463
|
|
ATOM 488 CD1 ILE I 63 16.672 -27.837 4.742 1.00 24.70 2CI2 464
|
|
ATOM 489 N ASP I 64 15.632 -23.860 8.364 1.00 14.60 2CI2 465
|
|
ATOM 490 CA ASP I 64 15.500 -24.051 9.809 1.00 14.66 2CI2 466
|
|
ATOM 491 C ASP I 64 14.469 -23.145 10.478 1.00 10.73 2CI2 467
|
|
ATOM 492 O ASP I 64 14.340 -23.221 11.714 1.00 12.65 2CI2 468
|
|
ATOM 493 CB ASP I 64 16.845 -23.914 10.535 1.00 19.91 2CI2 469
|
|
ATOM 494 CG ASP I 64 17.527 -22.577 10.305 1.00 20.76 2CI2 470
|
|
ATOM 495 OD1 ASP I 64 17.446 -21.999 9.205 1.00 21.61 2CI2 471
|
|
ATOM 496 OD2 ASP I 64 18.137 -22.110 11.298 1.00 25.03 2CI2 472
|
|
ATOM 497 N ARG I 65 13.870 -22.315 9.663 1.00 11.64 2CI2 473
|
|
ATOM 498 CA ARG I 65 12.918 -21.309 10.141 1.00 12.51 2CI2 474
|
|
ATOM 499 C ARG I 65 11.453 -21.716 10.025 1.00 12.85 2CI2 475
|
|
ATOM 500 O ARG I 65 11.074 -22.245 8.974 1.00 12.01 2CI2 476
|
|
ATOM 501 CB ARG I 65 13.130 -20.016 9.321 1.00 10.70 2CI2 477
|
|
ATOM 502 CG ARG I 65 12.169 -18.890 9.687 1.00 14.03 2CI2 478
|
|
ATOM 503 CD ARG I 65 12.644 -17.542 9.266 1.00 11.51 2CI2 479
|
|
ATOM 504 NE ARG I 65 12.674 -17.387 7.831 1.00 15.20 2CI2 480
|
|
ATOM 505 CZ ARG I 65 13.460 -16.613 7.090 1.00 15.39 2CI2 481
|
|
ATOM 506 NH1 ARG I 65 14.340 -15.768 7.596 1.00 17.74 2CI2 482
|
|
ATOM 507 NH2 ARG I 65 13.389 -16.713 5.764 1.00 16.07 2CI2 483
|
|
ATOM 508 N VAL I 66 10.685 -21.359 11.050 1.00 10.71 2CI2 484
|
|
ATOM 509 CA VAL I 66 9.240 -21.555 11.079 1.00 13.23 2CI2 485
|
|
ATOM 510 C VAL I 66 8.541 -20.253 11.517 1.00 12.86 2CI2 486
|
|
ATOM 511 O VAL I 66 8.570 -19.906 12.710 1.00 16.02 2CI2 487
|
|
ATOM 512 CB VAL I 66 8.740 -22.721 11.951 1.00 11.53 2CI2 488
|
|
ATOM 513 CG1 VAL I 66 7.216 -22.881 11.850 1.00 11.98 2CI2 489
|
|
ATOM 514 CG2 VAL I 66 9.420 -24.045 11.659 1.00 13.94 2CI2 490
|
|
ATOM 515 N ARG I 67 7.886 -19.619 10.566 1.00 9.65 2CI2 491
|
|
ATOM 516 CA ARG I 67 7.130 -18.389 10.853 1.00 10.83 2CI2 492
|
|
ATOM 517 C ARG I 67 5.717 -18.746 11.304 1.00 7.13 2CI2 493
|
|
ATOM 518 O ARG I 67 5.057 -19.492 10.560 1.00 9.94 2CI2 494
|
|
ATOM 519 CB ARG I 67 7.001 -17.538 9.570 1.00 11.98 2CI2 495
|
|
ATOM 520 CG ARG I 67 8.290 -16.786 9.175 1.00 11.30 2CI2 496
|
|
ATOM 521 CD ARG I 67 8.099 -16.286 7.796 1.00 15.42 2CI2 497
|
|
ATOM 522 NE ARG I 67 9.218 -15.651 7.158 1.00 26.19 2CI2 498
|
|
ATOM 523 CZ ARG I 67 9.598 -15.877 5.897 1.00 23.69 2CI2 499
|
|
ATOM 524 NH1 ARG I 67 8.987 -16.777 5.135 1.00 25.11 2CI2 500
|
|
ATOM 525 NH2 ARG I 67 10.603 -15.150 5.399 1.00 32.20 2CI2 501
|
|
ATOM 526 N LEU I 68 5.264 -18.178 12.388 1.00 5.51 2CI2 502
|
|
ATOM 527 CA LEU I 68 3.881 -18.326 12.864 1.00 7.63 2CI2 503
|
|
ATOM 528 C LEU I 68 3.149 -17.004 12.584 1.00 6.35 2CI2 504
|
|
ATOM 529 O LEU I 68 3.629 -15.965 13.056 1.00 8.97 2CI2 505
|
|
ATOM 530 CB LEU I 68 3.893 -18.673 14.353 1.00 6.88 2CI2 506
|
|
ATOM 531 CG LEU I 68 4.586 -19.961 14.774 1.00 11.18 2CI2 507
|
|
ATOM 532 CD1 LEU I 68 4.451 -20.213 16.270 1.00 2.78 2CI2 508
|
|
ATOM 533 CD2 LEU I 68 3.981 -21.071 13.922 1.00 10.53 2CI2 509
|
|
ATOM 534 N PHE I 69 2.068 -17.071 11.845 1.00 5.58 2CI2 510
|
|
ATOM 535 CA PHE I 69 1.254 -15.871 11.532 1.00 5.54 2CI2 511
|
|
ATOM 536 C PHE I 69 0.064 -15.898 12.493 1.00 6.41 2CI2 512
|
|
ATOM 537 O PHE I 69 -0.788 -16.799 12.467 1.00 7.94 2CI2 513
|
|
ATOM 538 CB PHE I 69 0.923 -15.768 10.047 1.00 5.59 2CI2 514
|
|
ATOM 539 CG PHE I 69 2.063 -15.303 9.185 1.00 12.09 2CI2 515
|
|
ATOM 540 CD1 PHE I 69 2.924 -16.230 8.593 1.00 13.33 2CI2 516
|
|
ATOM 541 CD2 PHE I 69 2.299 -13.936 8.992 1.00 10.83 2CI2 517
|
|
ATOM 542 CE1 PHE I 69 4.008 -15.811 7.835 1.00 13.21 2CI2 518
|
|
ATOM 543 CE2 PHE I 69 3.384 -13.491 8.239 1.00 11.69 2CI2 519
|
|
ATOM 544 CZ PHE I 69 4.229 -14.445 7.653 1.00 11.95 2CI2 520
|
|
ATOM 545 N VAL I 70 0.072 -14.937 13.400 1.00 7.81 2CI2 521
|
|
ATOM 546 CA VAL I 70 -0.893 -14.807 14.480 1.00 6.70 2CI2 522
|
|
ATOM 547 C VAL I 70 -1.933 -13.701 14.306 1.00 10.75 2CI2 523
|
|
ATOM 548 O VAL I 70 -1.791 -12.706 13.598 1.00 8.45 2CI2 524
|
|
ATOM 549 CB VAL I 70 -0.182 -14.794 15.849 1.00 3.28 2CI2 525
|
|
ATOM 550 CG1 VAL I 70 0.815 -15.948 15.986 1.00 4.29 2CI2 526
|
|
ATOM 551 CG2 VAL I 70 0.495 -13.475 16.183 1.00 3.98 2CI2 527
|
|
ATOM 552 N ASP I 71 -3.046 -13.959 14.981 1.00 11.12 2CI2 528
|
|
ATOM 553 CA ASP I 71 -4.238 -13.107 15.079 1.00 12.63 2CI2 529
|
|
ATOM 554 C ASP I 71 -4.081 -12.235 16.333 1.00 14.44 2CI2 530
|
|
ATOM 555 O ASP I 71 -3.074 -12.351 17.058 1.00 17.27 2CI2 531
|
|
ATOM 556 CB ASP I 71 -5.514 -13.958 15.062 1.00 7.46 2CI2 532
|
|
ATOM 557 CG ASP I 71 -5.869 -14.578 16.391 1.00 8.37 2CI2 533
|
|
ATOM 558 OD1 ASP I 71 -5.102 -14.498 17.367 1.00 12.91 2CI2 534
|
|
ATOM 559 OD2 ASP I 71 -6.946 -15.205 16.517 1.00 9.72 2CI2 535
|
|
ATOM 560 N LYS I 72 -5.051 -11.380 16.574 1.00 13.75 2CI2 536
|
|
ATOM 561 CA LYS I 72 -5.097 -10.438 17.680 1.00 13.74 2CI2 537
|
|
ATOM 562 C LYS I 72 -4.946 -11.083 19.051 1.00 15.88 2CI2 538
|
|
ATOM 563 O LYS I 72 -4.589 -10.376 20.015 1.00 16.72 2CI2 539
|
|
ATOM 564 CB LYS I 72 -6.456 -9.729 17.730 1.00 13.34 2CI2 540
|
|
ATOM 565 CG LYS I 72 -6.507 -8.381 17.036 1.00 20.82 2CI2 541
|
|
ATOM 566 CD LYS I 72 -7.817 -7.657 17.322 1.00 21.70 2CI2 542
|
|
ATOM 567 CE LYS I 72 -7.679 -6.538 18.330 1.00 21.57 2CI2 543
|
|
ATOM 568 NZ LYS I 72 -8.402 -5.330 17.839 1.00 30.14 2CI2 544
|
|
ATOM 569 N LEU I 73 -5.275 -12.356 19.142 1.00 16.38 2CI2 545
|
|
ATOM 570 CA LEU I 73 -5.201 -13.055 20.437 1.00 18.38 2CI2 546
|
|
ATOM 571 C LEU I 73 -3.989 -13.979 20.495 1.00 19.84 2CI2 547
|
|
ATOM 572 O LEU I 73 -3.851 -14.718 21.490 1.00 22.48 2CI2 548
|
|
ATOM 573 CB LEU I 73 -6.544 -13.733 20.702 1.00 22.11 2CI2 549
|
|
ATOM 574 CG LEU I 73 -7.766 -12.854 20.907 1.00 22.63 2CI2 550
|
|
ATOM 575 CD1 LEU I 73 -8.985 -13.712 21.224 1.00 24.13 2CI2 551
|
|
ATOM 576 CD2 LEU I 73 -7.484 -11.876 22.047 1.00 24.80 2CI2 552
|
|
ATOM 577 N ASP I 74 -3.163 -13.927 19.472 1.00 19.04 2CI2 553
|
|
ATOM 578 CA ASP I 74 -1.954 -14.754 19.386 1.00 20.64 2CI2 554
|
|
ATOM 579 C ASP I 74 -2.256 -16.222 19.066 1.00 17.76 2CI2 555
|
|
ATOM 580 O ASP I 74 -1.538 -17.062 19.642 1.00 18.05 2CI2 556
|
|
ATOM 581 CB ASP I 74 -1.118 -14.670 20.675 1.00 25.90 2CI2 557
|
|
ATOM 582 CG ASP I 74 -0.466 -13.319 20.898 1.00 29.31 2CI2 558
|
|
ATOM 583 OD1 ASP I 74 0.082 -12.750 19.940 1.00 30.95 2CI2 559
|
|
ATOM 584 OD2 ASP I 74 -0.524 -12.847 22.054 1.00 30.81 2CI2 560
|
|
ATOM 585 N ASN I 75 -3.259 -16.487 18.263 1.00 14.97 2CI2 561
|
|
ATOM 586 CA ASN I 75 -3.598 -17.863 17.854 1.00 13.91 2CI2 562
|
|
ATOM 587 C ASN I 75 -3.042 -18.012 16.436 1.00 12.18 2CI2 563
|
|
ATOM 588 O ASN I 75 -2.896 -16.949 15.809 1.00 13.00 2CI2 564
|
|
ATOM 589 CB ASN I 75 -5.101 -18.132 17.948 1.00 13.31 2CI2 565
|
|
ATOM 590 CG ASN I 75 -5.494 -18.262 19.407 1.00 15.19 2CI2 566
|
|
ATOM 591 OD1 ASN I 75 -4.723 -18.834 20.193 1.00 19.14 2CI2 567
|
|
ATOM 592 ND2 ASN I 75 -6.631 -17.697 19.772 1.00 17.73 2CI2 568
|
|
ATOM 593 N ILE I 76 -2.730 -19.221 16.019 1.00 11.90 2CI2 569
|
|
ATOM 594 CA ILE I 76 -2.185 -19.433 14.667 1.00 12.65 2CI2 570
|
|
ATOM 595 C ILE I 76 -3.342 -19.252 13.677 1.00 11.59 2CI2 571
|
|
ATOM 596 O ILE I 76 -4.322 -20.009 13.762 1.00 14.18 2CI2 572
|
|
ATOM 597 CB ILE I 76 -1.478 -20.810 14.457 1.00 9.22 2CI2 573
|
|
ATOM 598 CG1 ILE I 76 -0.257 -21.048 15.354 1.00 13.74 2CI2 574
|
|
ATOM 599 CG2 ILE I 76 -1.097 -21.028 12.960 1.00 6.37 2CI2 575
|
|
ATOM 600 CD1 ILE I 76 0.140 -20.018 16.424 1.00 13.42 2CI2 576
|
|
ATOM 601 N ALA I 77 -3.162 -18.316 12.767 1.00 9.88 2CI2 577
|
|
ATOM 602 CA ALA I 77 -4.214 -17.967 11.809 1.00 8.17 2CI2 578
|
|
ATOM 603 C ALA I 77 -4.079 -18.616 10.449 1.00 11.23 2CI2 579
|
|
ATOM 604 O ALA I 77 -5.055 -18.635 9.669 1.00 11.49 2CI2 580
|
|
ATOM 605 CB ALA I 77 -4.229 -16.428 11.726 1.00 4.65 2CI2 581
|
|
ATOM 606 N GLU I 78 -2.891 -19.085 10.120 1.00 9.22 2CI2 582
|
|
ATOM 607 CA GLU I 78 -2.597 -19.763 8.857 1.00 13.06 2CI2 583
|
|
ATOM 608 C GLU I 78 -1.699 -20.960 9.151 1.00 10.24 2CI2 584
|
|
ATOM 609 O GLU I 78 -1.083 -21.009 10.226 1.00 13.48 2CI2 585
|
|
ATOM 610 CB GLU I 78 -1.928 -18.872 7.823 1.00 16.66 2CI2 586
|
|
ATOM 611 CG GLU I 78 -1.442 -17.490 8.233 1.00 24.46 2CI2 587
|
|
ATOM 612 CD GLU I 78 -1.217 -16.534 7.100 1.00 22.99 2CI2 588
|
|
ATOM 613 OE1 GLU I 78 -0.765 -16.862 6.021 1.00 29.51 2CI2 589
|
|
ATOM 614 OE2 GLU I 78 -1.530 -15.365 7.390 1.00 27.97 2CI2 590
|
|
ATOM 615 N VAL I 79 -1.647 -21.889 8.224 1.00 12.11 2CI2 591
|
|
ATOM 616 CA VAL I 79 -0.849 -23.111 8.362 1.00 11.23 2CI2 592
|
|
ATOM 617 C VAL I 79 0.637 -22.743 8.418 1.00 10.70 2CI2 593
|
|
ATOM 618 O VAL I 79 1.125 -22.175 7.430 1.00 12.86 2CI2 594
|
|
ATOM 619 CB VAL I 79 -1.054 -24.095 7.183 1.00 13.33 2CI2 595
|
|
ATOM 620 CG1 VAL I 79 -0.023 -25.223 7.255 1.00 10.05 2CI2 596
|
|
ATOM 621 CG2 VAL I 79 -2.463 -24.645 7.074 1.00 10.55 2CI2 597
|
|
ATOM 622 N PRO I 80 1.266 -23.104 9.509 1.00 9.97 2CI2 598
|
|
ATOM 623 CA PRO I 80 2.714 -22.871 9.687 1.00 10.84 2CI2 599
|
|
ATOM 624 C PRO I 80 3.493 -23.711 8.672 1.00 11.17 2CI2 600
|
|
ATOM 625 O PRO I 80 3.107 -24.865 8.398 1.00 11.21 2CI2 601
|
|
ATOM 626 CB PRO I 80 2.966 -23.306 11.130 1.00 12.38 2CI2 602
|
|
ATOM 627 CG PRO I 80 1.620 -23.328 11.814 1.00 10.40 2CI2 603
|
|
ATOM 628 CD PRO I 80 0.663 -23.737 10.696 1.00 11.53 2CI2 604
|
|
ATOM 629 N ARG I 81 4.557 -23.162 8.131 1.00 10.29 2CI2 605
|
|
ATOM 630 CA ARG I 81 5.395 -23.823 7.129 1.00 13.19 2CI2 606
|
|
ATOM 631 C ARG I 81 6.855 -23.394 7.251 1.00 14.50 2CI2 607
|
|
ATOM 632 O ARG I 81 7.114 -22.263 7.689 1.00 16.59 2CI2 608
|
|
ATOM 633 CB ARG I 81 4.933 -23.501 5.698 1.00 14.36 2CI2 609
|
|
ATOM 634 CG ARG I 81 3.956 -24.494 5.110 1.00 22.23 2CI2 610
|
|
ATOM 635 CD ARG I 81 3.417 -24.045 3.794 1.00 33.13 2CI2 611
|
|
ATOM 636 NE ARG I 81 2.449 -22.972 3.956 1.00 40.24 2CI2 612
|
|
ATOM 637 CZ ARG I 81 1.124 -23.113 3.908 1.00 41.54 2CI2 613
|
|
ATOM 638 NH1 ARG I 81 0.526 -24.221 3.488 1.00 40.91 2CI2 614
|
|
ATOM 639 NH2 ARG I 81 0.385 -22.109 4.392 1.00 45.11 2CI2 615
|
|
ATOM 640 N VAL I 82 7.747 -24.270 6.813 1.00 14.70 2CI2 616
|
|
ATOM 641 CA VAL I 82 9.190 -23.996 6.828 1.00 13.66 2CI2 617
|
|
ATOM 642 C VAL I 82 9.560 -22.976 5.747 1.00 13.30 2CI2 618
|
|
ATOM 643 O VAL I 82 8.985 -23.009 4.640 1.00 12.70 2CI2 619
|
|
ATOM 644 CB VAL I 82 10.004 -25.297 6.632 1.00 14.43 2CI2 620
|
|
ATOM 645 CG1 VAL I 82 11.478 -24.982 6.349 1.00 17.60 2CI2 621
|
|
ATOM 646 CG2 VAL I 82 9.882 -26.249 7.805 1.00 15.45 2CI2 622
|
|
ATOM 647 N GLY I 83 10.551 -22.146 6.059 1.00 12.36 2CI2 623
|
|
ATOM 648 CA GLY I 83 11.026 -21.174 5.057 1.00 13.03 2CI2 624
|
|
ATOM 649 C GLY I 83 11.395 -19.829 5.657 1.00 11.77 2CI2 625
|
|
ATOM 650 O GLY I 83 10.798 -19.541 6.714 1.00 15.36 2CI2 626
|
|
ATOM 651 OXT GLY I 83 12.222 -19.137 5.054 1.00 16.40 2CI2 627
|
|
TER 652 GLY I 83 2CI2 628
|
|
HETATM 653 O HOH 84 -0.329 -13.254 6.640 1.00 24.81 2CI2 629
|
|
HETATM 654 O HOH 85 20.537 -17.890 5.103 0.98 51.62 2CI2 630
|
|
HETATM 655 O HOH 86 3.985 -5.480 6.143 0.93 22.19 2CI2 631
|
|
HETATM 656 O HOH 87 13.612 -14.849 -5.298 1.00 37.67 2CI2 632
|
|
HETATM 657 O HOH 88 2.323 -19.638 7.496 0.75 19.24 2CI2 633
|
|
HETATM 658 O HOH 89 8.493 -20.055 7.668 1.00 10.51 2CI2 634
|
|
HETATM 659 O HOH 90 1.392 -19.519 10.757 0.69 8.41 2CI2 635
|
|
HETATM 660 O HOH 91 14.304 -32.137 12.328 0.88 20.39 2CI2 636
|
|
HETATM 661 O HOH 92 8.165 -34.925 12.441 1.00 27.86 2CI2 637
|
|
HETATM 662 O HOH 93 -3.208 -8.404 12.277 0.80 18.92 2CI2 638
|
|
HETATM 663 O HOH 94 2.873 -36.659 17.649 0.48 20.25 2CI2 639
|
|
HETATM 664 O HOH 95 -8.502 -16.494 17.981 1.00 6.91 2CI2 640
|
|
HETATM 665 O HOH 96 13.110 -21.154 18.099 1.00 21.03 2CI2 641
|
|
HETATM 666 O HOH 97 15.611 -24.679 18.097 1.00 16.43 2CI2 642
|
|
HETATM 667 O HOH 98 -8.313 -18.290 22.531 1.00 34.75 2CI2 643
|
|
HETATM 668 O HOH 99 6.311 -23.358 23.845 1.00 42.27 2CI2 644
|
|
HETATM 669 O HOH 100 9.592 -7.442 4.540 1.00 21.71 2CI2 645
|
|
HETATM 670 O HOH 101 17.915 -14.447 0.209 1.00 46.91 2CI2 646
|
|
HETATM 671 O HOH 102 4.643 -20.183 7.815 0.79 11.79 2CI2 647
|
|
HETATM 672 O HOH 103 8.776 -39.486 8.344 0.33 20.46 2CI2 648
|
|
HETATM 673 O HOH 104 20.049 -19.093 13.191 0.88 25.50 2CI2 649
|
|
HETATM 674 O HOH 105 -1.050 -35.346 12.637 0.98 32.03 2CI2 650
|
|
HETATM 675 O HOH 106 -0.528 -37.282 13.452 0.74 34.20 2CI2 651
|
|
HETATM 676 O HOH 107 -2.814 -10.035 13.791 0.52 7.98 2CI2 652
|
|
HETATM 677 O HOH 108 7.629 -22.058 1.674 1.00 51.13 2CI2 653
|
|
HETATM 678 O HOH 109 2.064 -5.457 11.942 1.00 65.35 2CI2 654
|
|
HETATM 679 O HOH 110 23.048 -21.016 12.391 1.00 32.12 2CI2 655
|
|
HETATM 680 O HOH 111 2.660 -35.407 12.320 1.00 37.99 2CI2 656
|
|
HETATM 681 O HOH 112 19.516 -21.255 13.031 0.79 32.01 2CI2 657
|
|
HETATM 682 O HOH 113 21.191 -22.240 18.079 0.59 21.14 2CI2 658
|
|
HETATM 683 O HOH 114 6.941 -36.073 17.397 0.64 48.88 2CI2 659
|
|
HETATM 684 O HOH 115 -10.533 -17.031 20.300 0.55 21.45 2CI2 660
|
|
HETATM 685 O HOH 116 5.641 -38.800 22.958 1.00 52.61 2CI2 661
|
|
HETATM 686 O HOH 117 19.782 -25.123 22.901 0.75 34.24 2CI2 662
|
|
HETATM 687 O HOH 118 13.266 -20.427 23.057 0.64 34.89 2CI2 663
|
|
HETATM 688 O HOH 119 -5.628 -30.359 22.925 0.73 48.31 2CI2 664
|
|
HETATM 689 O HOH 120 8.529 -29.351 22.983 1.00 32.02 2CI2 665
|
|
HETATM 690 O HOH 121 13.517 -29.044 26.642 0.86 34.70 2CI2 666
|
|
HETATM 691 O HOH 122 0.323 -6.119 8.978 0.96 39.54 2CI2 667
|
|
HETATM 692 O HOH 123 -4.037 -15.671 6.351 1.00 35.45 2CI2 668
|
|
HETATM 693 O HOH 124 15.631 -11.826 -0.761 0.93 46.62 2CI2 669
|
|
HETATM 694 O HOH 125 4.800 -4.562 12.199 1.00 39.72 2CI2 670
|
|
HETATM 695 O HOH 126 13.468 -18.103 17.589 0.73 26.09 2CI2 671
|
|
HETATM 696 O HOH 127 -3.023 -2.235 18.293 1.00 41.70 2CI2 672
|
|
HETATM 697 O HOH 128 18.407 -24.479 17.873 0.52 9.70 2CI2 673
|
|
HETATM 698 O HOH 129 -7.836 -2.378 19.154 0.73 60.68 2CI2 674
|
|
HETATM 699 O HOH 130 21.030 -19.090 21.742 1.00 47.98 2CI2 675
|
|
HETATM 700 O HOH 131 1.881 -32.214 22.846 0.83 46.85 2CI2 676
|
|
HETATM 701 O HOH 132 -7.515 -4.664 22.763 0.83 35.53 2CI2 677
|
|
HETATM 702 O HOH 133 -2.229 -10.591 22.682 1.00 50.61 2CI2 678
|
|
HETATM 703 O HOH 134 22.150 -25.947 24.001 0.83 44.94 2CI2 679
|
|
HETATM 704 O HOH 135 11.224 -29.647 8.973 0.70 19.43 2CI2 680
|
|
HETATM 705 O HOH 136 5.258 -34.075 4.412 0.40 18.69 2CI2 681
|
|
HETATM 706 O HOH 137 1.459 -39.256 4.127 0.60 23.87 2CI2 682
|
|
HETATM 707 O HOH 138 4.530 -28.781 -0.047 1.00 43.13 2CI2 683
|
|
HETATM 708 O HOH 139 11.913 -34.478 18.581 0.64 33.68 2CI2 684
|
|
HETATM 709 O HOH 140 -5.065 -32.731 22.028 0.78 44.05 2CI2 685
|
|
HETATM 710 O HOH 141 -2.568 -32.082 23.071 1.00 50.49 2CI2 686
|
|
HETATM 711 O HOH 142 5.202 -19.362 24.595 1.00 47.01 2CI2 687
|
|
HETATM 712 O HOH 143 8.744 -16.337 23.550 0.95 39.33 2CI2 688
|
|
HETATM 713 O HOH 144 16.078 -37.479 4.200 1.00 32.94 2CI2 689
|
|
HETATM 714 O HOH 145 -3.995 -3.539 23.173 0.45 29.34 2CI2 690
|
|
HETATM 715 O HOH 146 -8.826 -33.316 22.007 0.73 42.83 2CI2 691
|
|
HETATM 716 O HOH 147 -1.791 -21.764 25.717 0.74 27.23 2CI2 692
|
|
MASTER 68 0 0 1 4 5 1 6 585 1 0 7 2CI2 693
|
|
END 2CI2 694
|