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539 lines
43 KiB
Text
539 lines
43 KiB
Text
HEADER ELECTRON TRANSPORT 18-MAY-92 1CAA 1CAA 2
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COMPND RUBREDOXIN (OXIDIZED) 1CAA 3
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SOURCE (PYROCOCCUS FURIOSUS) 1CAA 4
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AUTHOR M.W.DAY,B.T.HSU,L.JOSHUA-TOR,J.B.PARK,Z.H.ZHOU,M.W.W.ADAMS, 1CAAA 1
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AUTHOR 2 D.C.REES 1CAA 6
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REVDAT 2 30-APR-94 1CAAA 1 AUTHOR 1CAAA 2
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REVDAT 1 31-OCT-93 1CAA 0 1CAA 7
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JRNL AUTH M.W.DAY,B.T.HSU,L.JOSHUA-TOR,J.-B.PARK,Z.H.ZHOU, 1CAA 8
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JRNL AUTH 2 M.W.W.ADAMS,D.C.REES 1CAA 9
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JRNL TITL X-RAY CRYSTAL STRUCTURES OF THE OXIDIZED AND 1CAA 10
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JRNL TITL 2 REDUCED FORMS OF THE RUBREDOXIN FROM THE MARINE 1CAA 11
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JRNL TITL 3 HYPERTHERMOPHILIC ARCHAEBACTERIUM PYROCOCCUS 1CAA 12
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JRNL TITL 4 FURIOSUS 1CAA 13
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JRNL REF PROTEIN SCI. V. 1 1494 1992 1CAA 14
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JRNL REFN US ISSN 0961-8368 795 1CAA 15
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REMARK 1 1CAA 16
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REMARK 2 1CAA 17
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REMARK 2 RESOLUTION. 1.8 ANGSTROMS. 1CAA 18
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REMARK 3 1CAA 19
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REMARK 3 REFINEMENT. 1CAA 20
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REMARK 3 PROGRAM X-PLOR 1CAA 21
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REMARK 3 AUTHORS BRUNGER 1CAA 22
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REMARK 3 R VALUE 0.178 1CAA 23
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REMARK 3 RMSD BOND DISTANCES 0.014 ANGSTROMS 1CAA 24
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REMARK 3 RMSD BOND ANGLES 2.06 DEGREES 1CAA 25
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REMARK 3 1CAA 26
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REMARK 3 NUMBER OF PROTEIN ATOMS 413 1CAA 27
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REMARK 3 NUMBER OF SOLVENT ATOMS 62 1CAA 28
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REMARK 4 1CAAA 3
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REMARK 4 CORRECTION. INSERT MISSING COMMA ON AUTHOR RECORD. 1CAAA 4
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REMARK 4 30-APR-94. 1CAAA 5
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SEQRES 1 53 ALA LYS TRP VAL CYS LYS ILE CYS GLY TYR ILE TYR ASP 1CAA 29
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SEQRES 2 53 GLU ASP ALA GLY ASP PRO ASP ASN GLY ILE SER PRO GLY 1CAA 30
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SEQRES 3 53 THR LYS PHE GLU GLU LEU PRO ASP ASP TRP VAL CYS PRO 1CAA 31
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SEQRES 4 53 ILE CYS GLY ALA PRO LYS SER GLU PHE GLU LYS LEU GLU 1CAA 32
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SEQRES 5 53 ASP 1CAA 33
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HET FE 54 1 FE(III) ATOM 1CAA 34
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FORMUL 2 FE FE1 +++ 1CAA 35
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FORMUL 3 HOH *61(H2 O1) 1CAA 36
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HELIX 1 HC1 ASP 13 GLY 17 5 1CAA 37
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HELIX 2 HC2 ASP 18 GLY 22 5 1CAA 38
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HELIX 3 HC3 LYS 28 LEU 32 5 1CAA 39
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HELIX 4 HC4 PRO 44 PHE 48 5 1CAA 40
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SHEET 1 A 3 GLY 9 GLU 14 0 1CAA 41
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SHEET 2 A 3 ALA 1 LYS 6 -1 N TRP 3 O TYR 12 1CAA 42
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SHEET 3 A 3 GLU 47 LEU 51 -1 O GLU 47 N LYS 6 1CAA 43
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TURN 1 T1 SER 24 THR 27 1CAA 44
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TURN 2 T2 PRO 33 TRP 36 1CAA 45
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TURN 3 T3 ASP 13 ASP 15 ASX TURN 1CAA 46
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CRYST1 33.800 34.600 43.400 90.00 90.00 90.00 P 21 21 21 4 1CAA 47
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ORIGX1 1.000000 0.000000 0.000000 0.00000 1CAA 48
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ORIGX2 0.000000 1.000000 0.000000 0.00000 1CAA 49
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ORIGX3 0.000000 0.000000 1.000000 0.00000 1CAA 50
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SCALE1 0.029586 0.000000 0.000000 0.00000 1CAA 51
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SCALE2 0.000000 0.028902 0.000000 0.00000 1CAA 52
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SCALE3 0.000000 0.000000 0.023041 0.00000 1CAA 53
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ATOM 1 N ALA 1 21.470 -2.858 3.661 1.00 5.93 1CAA 54
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ATOM 2 CA ALA 1 21.351 -1.891 2.582 1.00 6.74 1CAA 55
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ATOM 3 C ALA 1 20.621 -0.650 3.070 1.00 7.96 1CAA 56
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ATOM 4 O ALA 1 19.936 -0.659 4.106 1.00 7.01 1CAA 57
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ATOM 5 CB ALA 1 20.572 -2.447 1.406 1.00 7.50 1CAA 58
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ATOM 6 N LYS 2 20.696 0.423 2.298 1.00 6.87 1CAA 59
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ATOM 7 CA LYS 2 20.038 1.641 2.714 1.00 7.47 1CAA 60
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ATOM 8 C LYS 2 19.143 2.073 1.580 1.00 6.90 1CAA 61
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ATOM 9 O LYS 2 19.535 1.934 0.428 1.00 6.84 1CAA 62
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ATOM 10 CB LYS 2 21.047 2.741 2.983 1.00 8.56 1CAA 63
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ATOM 11 CG LYS 2 21.747 2.557 4.333 1.00 9.75 1CAA 64
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ATOM 12 CD LYS 2 22.673 3.736 4.569 1.00 12.40 1CAA 65
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ATOM 13 CE LYS 2 23.607 3.448 5.739 1.00 16.13 1CAA 66
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ATOM 14 NZ LYS 2 24.579 4.527 5.928 1.00 16.19 1CAA 67
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ATOM 15 N TRP 3 17.971 2.609 1.908 1.00 5.82 1CAA 68
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ATOM 16 CA TRP 3 16.996 3.043 0.928 1.00 5.50 1CAA 69
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ATOM 17 C TRP 3 16.621 4.473 1.288 1.00 6.13 1CAA 70
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ATOM 18 O TRP 3 16.356 4.795 2.453 1.00 6.52 1CAA 71
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ATOM 19 CB TRP 3 15.711 2.218 1.052 1.00 6.25 1CAA 72
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ATOM 20 CG TRP 3 15.854 0.758 0.667 1.00 4.38 1CAA 73
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ATOM 21 CD1 TRP 3 16.595 -0.085 1.426 1.00 7.66 1CAA 74
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ATOM 22 CD2 TRP 3 15.243 0.142 -0.388 1.00 6.60 1CAA 75
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ATOM 23 NE1 TRP 3 16.470 -1.268 0.844 1.00 9.46 1CAA 76
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ATOM 24 CE2 TRP 3 15.674 -1.171 -0.246 1.00 7.13 1CAA 77
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ATOM 25 CE3 TRP 3 14.397 0.518 -1.426 1.00 6.16 1CAA 78
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ATOM 26 CZ2 TRP 3 15.278 -2.146 -1.141 1.00 5.10 1CAA 79
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ATOM 27 CZ3 TRP 3 13.994 -0.450 -2.316 1.00 5.60 1CAA 80
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ATOM 28 CH2 TRP 3 14.438 -1.757 -2.169 1.00 6.18 1CAA 81
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ATOM 29 N VAL 4 16.555 5.360 0.306 1.00 5.20 1CAA 82
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ATOM 30 CA VAL 4 16.178 6.707 0.635 1.00 4.67 1CAA 83
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ATOM 31 C VAL 4 14.716 6.994 0.297 1.00 3.65 1CAA 84
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ATOM 32 O VAL 4 14.178 6.534 -0.730 1.00 3.35 1CAA 85
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ATOM 33 CB VAL 4 17.114 7.671 -0.129 1.00 3.60 1CAA 86
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ATOM 34 CG1 VAL 4 16.873 7.544 -1.617 1.00 4.05 1CAA 87
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ATOM 35 CG2 VAL 4 16.894 9.123 0.285 1.00 4.21 1CAA 88
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ATOM 36 N CYS 5 14.058 7.746 1.170 1.00 3.38 1CAA 89
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ATOM 37 CA CYS 5 12.696 8.197 0.911 1.00 5.09 1CAA 90
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ATOM 38 C CYS 5 12.830 9.351 -0.092 1.00 5.87 1CAA 91
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ATOM 39 O CYS 5 13.475 10.383 0.187 1.00 3.43 1CAA 92
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ATOM 40 CB CYS 5 12.038 8.724 2.184 1.00 5.09 1CAA 93
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ATOM 41 SG CYS 5 10.464 9.560 1.841 1.00 5.45 1CAA 94
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ATOM 42 N LYS 6 12.363 9.119 -1.329 1.00 5.78 1CAA 95
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ATOM 43 CA LYS 6 12.524 10.145 -2.343 1.00 8.29 1CAA 96
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ATOM 44 C LYS 6 11.815 11.436 -2.024 1.00 7.89 1CAA 97
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ATOM 45 O LYS 6 11.983 12.434 -2.729 1.00 8.96 1CAA 98
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ATOM 46 CB LYS 6 12.062 9.581 -3.680 1.00 10.66 1CAA 99
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ATOM 47 CG LYS 6 13.098 8.594 -4.244 1.00 15.90 1CAA 100
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ATOM 48 CD LYS 6 12.479 7.648 -5.258 1.00 18.43 1CAA 101
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ATOM 49 CE LYS 6 13.250 7.718 -6.563 1.00 23.21 1CAA 102
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ATOM 50 NZ LYS 6 12.711 6.786 -7.556 1.00 25.54 1CAA 103
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ATOM 51 N ILE 7 10.847 11.414 -1.121 1.00 6.14 1CAA 104
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ATOM 52 CA ILE 7 10.170 12.665 -0.791 1.00 6.44 1CAA 105
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ATOM 53 C ILE 7 10.974 13.531 0.202 1.00 6.22 1CAA 106
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ATOM 54 O ILE 7 11.245 14.707 -0.031 1.00 5.23 1CAA 107
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ATOM 55 CB ILE 7 8.775 12.377 -0.139 1.00 8.56 1CAA 108
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ATOM 56 CG1 ILE 7 7.893 11.339 -0.868 1.00 7.96 1CAA 109
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ATOM 57 CG2 ILE 7 8.052 13.683 0.107 1.00 9.27 1CAA 110
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ATOM 58 CD1 ILE 7 7.513 11.667 -2.312 1.00 11.42 1CAA 111
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ATOM 59 N CYS 8 11.444 12.965 1.323 1.00 4.78 1CAA 112
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ATOM 60 CA CYS 8 12.084 13.825 2.308 1.00 5.14 1CAA 113
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ATOM 61 C CYS 8 13.579 13.628 2.534 1.00 4.88 1CAA 114
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ATOM 62 O CYS 8 14.183 14.340 3.329 1.00 4.97 1CAA 115
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ATOM 63 CB CYS 8 11.336 13.674 3.633 1.00 5.45 1CAA 116
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ATOM 64 SG CYS 8 11.547 12.081 4.489 1.00 4.99 1CAA 117
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ATOM 65 N GLY 9 14.149 12.505 2.098 1.00 4.86 1CAA 118
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ATOM 66 CA GLY 9 15.579 12.367 2.328 1.00 5.26 1CAA 119
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ATOM 67 C GLY 9 15.875 11.391 3.446 1.00 5.27 1CAA 120
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ATOM 68 O GLY 9 17.050 11.149 3.749 1.00 3.54 1CAA 121
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ATOM 69 N TYR 10 14.829 10.986 4.203 1.00 4.33 1CAA 122
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ATOM 70 CA TYR 10 15.043 10.014 5.262 1.00 3.77 1CAA 123
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ATOM 71 C TYR 10 15.748 8.782 4.702 1.00 3.87 1CAA 124
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ATOM 72 O TYR 10 15.416 8.312 3.617 1.00 5.03 1CAA 125
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ATOM 73 CB TYR 10 13.704 9.628 5.867 1.00 2.25 1CAA 126
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ATOM 74 CG TYR 10 13.832 8.438 6.780 1.00 2.27 1CAA 127
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ATOM 75 CD1 TYR 10 14.337 8.602 8.060 1.00 2.97 1CAA 128
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ATOM 76 CD2 TYR 10 13.462 7.186 6.328 1.00 3.49 1CAA 129
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ATOM 77 CE1 TYR 10 14.477 7.509 8.907 1.00 3.96 1CAA 130
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ATOM 78 CE2 TYR 10 13.606 6.085 7.176 1.00 4.61 1CAA 131
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ATOM 79 CZ TYR 10 14.110 6.262 8.452 1.00 4.59 1CAA 132
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ATOM 80 OH TYR 10 14.259 5.170 9.282 1.00 5.90 1CAA 133
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ATOM 81 N ILE 11 16.647 8.162 5.482 1.00 3.95 1CAA 134
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ATOM 82 CA ILE 11 17.340 6.988 4.998 1.00 3.94 1CAA 135
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ATOM 83 C ILE 11 16.953 5.753 5.783 1.00 4.19 1CAA 136
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ATOM 84 O ILE 11 17.008 5.778 7.027 1.00 4.42 1CAA 137
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ATOM 85 CB ILE 11 18.862 7.160 5.150 1.00 5.47 1CAA 138
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ATOM 86 CG1 ILE 11 19.417 8.356 4.383 1.00 6.35 1CAA 139
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ATOM 87 CG2 ILE 11 19.531 5.861 4.743 1.00 4.76 1CAA 140
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ATOM 88 CD1 ILE 11 19.357 8.194 2.856 1.00 7.47 1CAA 141
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ATOM 89 N TYR 12 16.213 4.831 5.158 1.00 3.92 1CAA 142
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ATOM 90 CA TYR 12 15.927 3.610 5.890 1.00 4.75 1CAA 143
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ATOM 91 C TYR 12 17.132 2.667 5.815 1.00 4.43 1CAA 144
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ATOM 92 O TYR 12 17.567 2.309 4.713 1.00 4.02 1CAA 145
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ATOM 93 CB TYR 12 14.749 2.806 5.342 1.00 3.87 1CAA 146
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ATOM 94 CG TYR 12 14.566 1.510 6.158 1.00 2.71 1CAA 147
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ATOM 95 CD1 TYR 12 14.043 1.560 7.423 1.00 3.41 1CAA 148
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ATOM 96 CD2 TYR 12 14.949 0.294 5.632 1.00 3.50 1CAA 149
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ATOM 97 CE1 TYR 12 13.902 0.409 8.173 1.00 2.00 1CAA 150
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ATOM 98 CE2 TYR 12 14.836 -0.870 6.384 1.00 3.47 1CAA 151
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ATOM 99 CZ TYR 12 14.311 -0.793 7.656 1.00 2.36 1CAA 152
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ATOM 100 OH TYR 12 14.282 -1.927 8.444 1.00 3.82 1CAA 153
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ATOM 101 N ASP 13 17.862 2.634 6.922 1.00 3.05 1CAA 154
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ATOM 102 CA ASP 13 19.005 1.783 6.995 1.00 3.97 1CAA 155
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ATOM 103 C ASP 13 18.577 0.469 7.572 1.00 2.76 1CAA 156
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ATOM 104 O ASP 13 18.187 0.417 8.741 1.00 3.78 1CAA 157
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ATOM 105 CB ASP 13 20.052 2.427 7.918 1.00 4.96 1CAA 158
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ATOM 106 CG ASP 13 21.388 1.691 7.982 1.00 6.43 1CAA 159
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ATOM 107 OD1 ASP 13 21.461 0.558 7.546 1.00 5.21 1CAA 160
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ATOM 108 OD2 ASP 13 22.259 2.144 8.713 1.00 8.83 1CAA 161
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ATOM 109 N GLU 14 18.741 -0.601 6.814 1.00 3.73 1CAA 162
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ATOM 110 CA GLU 14 18.367 -1.896 7.331 1.00 5.17 1CAA 163
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ATOM 111 C GLU 14 19.068 -2.223 8.648 1.00 5.76 1CAA 164
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ATOM 112 O GLU 14 18.592 -3.009 9.450 1.00 4.27 1CAA 165
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ATOM 113 CB GLU 14 18.670 -2.957 6.284 1.00 6.04 1CAA 166
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ATOM 114 CG GLU 14 17.604 -2.915 5.203 1.00 9.27 1CAA 167
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ATOM 115 CD GLU 14 17.972 -3.596 3.896 1.00 10.29 1CAA 168
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ATOM 116 OE1 GLU 14 18.983 -4.279 3.866 1.00 8.13 1CAA 169
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ATOM 117 OE2 GLU 14 17.062 -3.762 3.075 1.00 11.70 1CAA 170
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ATOM 118 N ASP 15 20.329 -1.799 8.813 1.00 7.13 1CAA 171
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ATOM 119 CA ASP 15 20.984 -2.142 10.048 1.00 7.63 1CAA 172
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ATOM 120 C ASP 15 20.386 -1.396 11.214 1.00 8.52 1CAA 173
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ATOM 121 O ASP 15 20.707 -1.692 12.371 1.00 9.18 1CAA 174
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ATOM 122 CB ASP 15 22.463 -1.844 9.945 1.00 7.90 1CAA 175
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ATOM 123 CG ASP 15 23.142 -2.833 9.038 1.00 12.01 1CAA 176
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ATOM 124 OD1 ASP 15 22.703 -3.961 8.966 1.00 14.74 1CAA 177
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ATOM 125 OD2 ASP 15 23.875 -2.403 8.162 1.00 17.59 1CAA 178
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ATOM 126 N ALA 16 19.704 -0.277 10.968 1.00 6.81 1CAA 179
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ATOM 127 CA ALA 16 19.152 0.397 12.113 1.00 6.38 1CAA 180
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ATOM 128 C ALA 16 17.723 -0.021 12.368 1.00 6.86 1CAA 181
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ATOM 129 O ALA 16 17.231 0.135 13.465 1.00 5.75 1CAA 182
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ATOM 130 CB ALA 16 19.128 1.886 11.856 1.00 7.53 1CAA 183
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ATOM 131 N GLY 17 17.005 -0.426 11.311 1.00 7.37 1CAA 184
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ATOM 132 CA GLY 17 15.599 -0.776 11.440 1.00 5.95 1CAA 185
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ATOM 133 C GLY 17 14.808 0.501 11.678 1.00 6.17 1CAA 186
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ATOM 134 O GLY 17 15.236 1.619 11.333 1.00 4.26 1CAA 187
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ATOM 135 N ASP 18 13.732 0.384 12.448 1.00 4.87 1CAA 188
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ATOM 136 CA ASP 18 12.929 1.535 12.778 1.00 6.02 1CAA 189
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ATOM 137 C ASP 18 12.176 1.226 14.067 1.00 5.96 1CAA 190
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ATOM 138 O ASP 18 10.959 1.048 14.046 1.00 7.27 1CAA 191
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ATOM 139 CB ASP 18 11.951 1.831 11.646 1.00 5.08 1CAA 192
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ATOM 140 CG ASP 18 11.073 3.077 11.833 1.00 6.65 1CAA 193
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ATOM 141 OD1 ASP 18 11.314 3.924 12.714 1.00 4.70 1CAA 194
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ATOM 142 OD2 ASP 18 10.018 3.103 11.186 1.00 7.77 1CAA 195
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ATOM 143 N PRO 19 12.908 0.949 15.161 1.00 7.28 1CAA 196
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ATOM 144 CA PRO 19 12.339 0.459 16.428 1.00 7.40 1CAA 197
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ATOM 145 C PRO 19 11.137 1.229 16.961 1.00 7.86 1CAA 198
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ATOM 146 O PRO 19 10.248 0.649 17.591 1.00 8.74 1CAA 199
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ATOM 147 CB PRO 19 13.479 0.582 17.415 1.00 6.48 1CAA 200
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ATOM 148 CG PRO 19 14.525 1.473 16.792 1.00 8.03 1CAA 201
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ATOM 149 CD PRO 19 14.324 1.355 15.295 1.00 5.67 1CAA 202
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ATOM 150 N ASP 20 11.154 2.561 16.839 1.00 7.55 1CAA 203
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ATOM 151 CA ASP 20 10.070 3.335 17.389 1.00 7.64 1CAA 204
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ATOM 152 C ASP 20 8.768 3.009 16.722 1.00 7.92 1CAA 205
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ATOM 153 O ASP 20 7.745 3.552 17.124 1.00 8.86 1CAA 206
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ATOM 154 CB ASP 20 10.352 4.799 17.218 1.00 9.01 1CAA 207
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ATOM 155 CG ASP 20 11.453 5.317 18.123 1.00 11.92 1CAA 208
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ATOM 156 OD1 ASP 20 12.019 4.539 18.895 1.00 12.89 1CAA 209
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ATOM 157 OD2 ASP 20 11.883 6.450 17.917 1.00 13.72 1CAA 210
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ATOM 158 N ASN 21 8.858 2.542 15.462 1.00 7.28 1CAA 211
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ATOM 159 CA ASN 21 7.658 2.174 14.721 1.00 6.15 1CAA 212
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ATOM 160 C ASN 21 7.538 0.674 14.480 1.00 6.53 1CAA 213
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ATOM 161 O ASN 21 6.897 0.235 13.550 1.00 6.93 1CAA 214
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ATOM 162 CB ASN 21 7.602 2.938 13.415 1.00 5.86 1CAA 215
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ATOM 163 CG ASN 21 7.598 4.420 13.708 1.00 7.68 1CAA 216
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ATOM 164 OD1 ASN 21 6.627 4.930 14.270 1.00 11.16 1CAA 217
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ATOM 165 ND2 ASN 21 8.695 5.128 13.484 1.00 6.92 1CAA 218
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ATOM 166 N GLY 22 8.024 -0.135 15.444 1.00 6.39 1CAA 219
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ATOM 167 CA GLY 22 7.869 -1.583 15.416 1.00 5.26 1CAA 220
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ATOM 168 C GLY 22 8.773 -2.344 14.491 1.00 5.76 1CAA 221
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ATOM 169 O GLY 22 8.569 -3.546 14.324 1.00 5.47 1CAA 222
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ATOM 170 N ILE 23 9.942 -1.806 14.171 1.00 4.70 1CAA 223
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ATOM 171 CA ILE 23 10.833 -2.521 13.250 1.00 4.87 1CAA 224
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ATOM 172 C ILE 23 12.191 -2.720 13.916 1.00 6.12 1CAA 225
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ATOM 173 O ILE 23 12.871 -1.752 14.273 1.00 6.82 1CAA 226
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ATOM 174 CB ILE 23 10.982 -1.707 11.941 1.00 4.86 1CAA 227
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ATOM 175 CG1 ILE 23 9.605 -1.451 11.292 1.00 4.73 1CAA 228
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ATOM 176 CG2 ILE 23 11.908 -2.426 10.962 1.00 4.64 1CAA 229
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ATOM 177 CD1 ILE 23 8.885 -2.741 10.819 1.00 2.67 1CAA 230
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ATOM 178 N SER 24 12.614 -3.974 14.140 1.00 6.02 1CAA 231
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ATOM 179 CA SER 24 13.878 -4.163 14.841 1.00 5.76 1CAA 232
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ATOM 180 C SER 24 15.038 -3.998 13.897 1.00 6.13 1CAA 233
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ATOM 181 O SER 24 14.858 -4.035 12.665 1.00 4.94 1CAA 234
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ATOM 182 CB SER 24 13.942 -5.526 15.498 1.00 5.17 1CAA 235
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ATOM 183 OG SER 24 13.812 -6.554 14.546 1.00 6.72 1CAA 236
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ATOM 184 N PRO 25 16.205 -3.599 14.421 1.00 7.30 1CAA 237
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ATOM 185 CA PRO 25 17.405 -3.472 13.592 1.00 7.23 1CAA 238
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ATOM 186 C PRO 25 17.660 -4.748 12.852 1.00 6.84 1CAA 239
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ATOM 187 O PRO 25 17.495 -5.832 13.405 1.00 7.67 1CAA 240
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ATOM 188 CB PRO 25 18.525 -3.183 14.592 1.00 7.42 1CAA 241
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ATOM 189 CG PRO 25 17.826 -2.594 15.799 1.00 7.99 1CAA 242
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ATOM 190 CD PRO 25 16.395 -3.139 15.809 1.00 5.99 1CAA 243
|
|
ATOM 191 N GLY 26 17.965 -4.653 11.564 1.00 7.21 1CAA 244
|
|
ATOM 192 CA GLY 26 18.240 -5.865 10.834 1.00 7.33 1CAA 245
|
|
ATOM 193 C GLY 26 17.062 -6.234 9.968 1.00 8.85 1CAA 246
|
|
ATOM 194 O GLY 26 17.187 -7.047 9.039 1.00 9.86 1CAA 247
|
|
ATOM 195 N THR 27 16.052 -5.389 9.945 1.00 7.45 1CAA 248
|
|
ATOM 196 CA THR 27 14.928 -5.769 9.095 1.00 7.44 1CAA 249
|
|
ATOM 197 C THR 27 15.149 -5.263 7.663 1.00 6.87 1CAA 250
|
|
ATOM 198 O THR 27 15.312 -4.059 7.426 1.00 4.94 1CAA 251
|
|
ATOM 199 CB THR 27 13.598 -5.216 9.665 1.00 6.36 1CAA 252
|
|
ATOM 200 OG1 THR 27 13.449 -5.779 10.963 1.00 6.97 1CAA 253
|
|
ATOM 201 CG2 THR 27 12.395 -5.603 8.788 1.00 7.90 1CAA 254
|
|
ATOM 202 N LYS 28 15.094 -6.169 6.678 1.00 6.71 1CAA 255
|
|
ATOM 203 CA LYS 28 15.272 -5.743 5.289 1.00 8.91 1CAA 256
|
|
ATOM 204 C LYS 28 14.113 -4.886 4.816 1.00 9.16 1CAA 257
|
|
ATOM 205 O LYS 28 12.953 -5.091 5.228 1.00 6.91 1CAA 258
|
|
ATOM 206 CB LYS 28 15.425 -6.940 4.347 1.00 12.26 1CAA 259
|
|
ATOM 207 CG LYS 28 16.636 -7.800 4.736 1.00 16.77 1CAA 260
|
|
ATOM 208 CD LYS 28 17.276 -8.464 3.520 1.00 22.47 1CAA 261
|
|
ATOM 209 CE LYS 28 18.632 -9.082 3.883 1.00 23.47 1CAA 262
|
|
ATOM 210 NZ LYS 28 19.450 -9.318 2.695 1.00 25.60 1CAA 263
|
|
ATOM 211 N PHE 29 14.395 -4.015 3.830 1.00 8.44 1CAA 264
|
|
ATOM 212 CA PHE 29 13.365 -3.144 3.301 1.00 8.52 1CAA 265
|
|
ATOM 213 C PHE 29 12.203 -3.918 2.733 1.00 8.62 1CAA 266
|
|
ATOM 214 O PHE 29 11.081 -3.649 3.099 1.00 8.16 1CAA 267
|
|
ATOM 215 CB PHE 29 13.890 -2.254 2.206 1.00 6.54 1CAA 268
|
|
ATOM 216 CG PHE 29 12.830 -1.264 1.766 1.00 6.54 1CAA 269
|
|
ATOM 217 CD1 PHE 29 12.657 -0.082 2.468 1.00 6.22 1CAA 270
|
|
ATOM 218 CD2 PHE 29 12.051 -1.539 0.659 1.00 6.18 1CAA 271
|
|
ATOM 219 CE1 PHE 29 11.689 0.829 2.084 1.00 5.78 1CAA 272
|
|
ATOM 220 CE2 PHE 29 11.093 -0.616 0.272 1.00 6.28 1CAA 273
|
|
ATOM 221 CZ PHE 29 10.910 0.557 0.985 1.00 5.44 1CAA 274
|
|
ATOM 222 N GLU 30 12.457 -5.057 2.106 1.00 8.74 1CAA 275
|
|
ATOM 223 CA GLU 30 11.353 -5.795 1.544 1.00 10.97 1CAA 276
|
|
ATOM 224 C GLU 30 10.483 -6.450 2.609 1.00 10.69 1CAA 277
|
|
ATOM 225 O GLU 30 9.277 -6.674 2.415 1.00 11.11 1CAA 278
|
|
ATOM 226 CB GLU 30 11.903 -6.845 0.608 1.00 11.80 1CAA 279
|
|
ATOM 227 CG GLU 30 12.332 -6.205 -0.702 1.00 17.62 1CAA 280
|
|
ATOM 228 CD GLU 30 13.810 -5.761 -0.701 1.00 21.22 1CAA 281
|
|
ATOM 229 OE1 GLU 30 14.435 -5.675 0.394 1.00 20.56 1CAA 282
|
|
ATOM 230 OE2 GLU 30 14.308 -5.427 -1.781 1.00 19.19 1CAA 283
|
|
ATOM 231 N GLU 31 11.049 -6.712 3.783 1.00 10.15 1CAA 284
|
|
ATOM 232 CA GLU 31 10.264 -7.349 4.808 1.00 9.91 1CAA 285
|
|
ATOM 233 C GLU 31 9.432 -6.371 5.607 1.00 8.85 1CAA 286
|
|
ATOM 234 O GLU 31 8.734 -6.793 6.543 1.00 7.42 1CAA 287
|
|
ATOM 235 CB GLU 31 11.168 -8.123 5.748 1.00 13.71 1CAA 288
|
|
ATOM 236 CG GLU 31 11.752 -9.324 5.030 1.00 18.66 1CAA 289
|
|
ATOM 237 CD GLU 31 10.686 -10.178 4.347 1.00 23.34 1CAA 290
|
|
ATOM 238 OE1 GLU 31 9.876 -10.771 5.058 1.00 25.37 1CAA 291
|
|
ATOM 239 OE2 GLU 31 10.757 -10.371 3.118 1.00 27.73 1CAA 292
|
|
ATOM 240 N LEU 32 9.730 -5.076 5.514 1.00 6.42 1CAA 293
|
|
ATOM 241 CA LEU 32 8.907 -4.129 6.242 1.00 5.82 1CAA 294
|
|
ATOM 242 C LEU 32 7.443 -4.330 5.827 1.00 5.79 1CAA 295
|
|
ATOM 243 O LEU 32 7.127 -4.485 4.625 1.00 5.92 1CAA 296
|
|
ATOM 244 CB LEU 32 9.284 -2.720 5.860 1.00 5.93 1CAA 297
|
|
ATOM 245 CG LEU 32 10.641 -2.210 6.272 1.00 7.30 1CAA 298
|
|
ATOM 246 CD1 LEU 32 10.899 -0.854 5.643 1.00 3.39 1CAA 299
|
|
ATOM 247 CD2 LEU 32 10.699 -2.122 7.794 1.00 5.89 1CAA 300
|
|
ATOM 248 N PRO 33 6.500 -4.128 6.735 1.00 6.27 1CAA 301
|
|
ATOM 249 CA PRO 33 5.103 -4.411 6.427 1.00 5.79 1CAA 302
|
|
ATOM 250 C PRO 33 4.660 -3.574 5.251 1.00 6.97 1CAA 303
|
|
ATOM 251 O PRO 33 5.081 -2.421 5.144 1.00 4.91 1CAA 304
|
|
ATOM 252 CB PRO 33 4.381 -4.108 7.714 1.00 7.00 1CAA 305
|
|
ATOM 253 CG PRO 33 5.407 -4.120 8.825 1.00 6.55 1CAA 306
|
|
ATOM 254 CD PRO 33 6.777 -3.990 8.163 1.00 5.46 1CAA 307
|
|
ATOM 255 N ASP 34 3.636 -4.035 4.479 1.00 7.68 1CAA 308
|
|
ATOM 256 CA ASP 34 3.237 -3.257 3.289 1.00 7.45 1CAA 309
|
|
ATOM 257 C ASP 34 2.709 -1.888 3.602 1.00 6.64 1CAA 310
|
|
ATOM 258 O ASP 34 2.880 -0.977 2.803 1.00 6.34 1CAA 311
|
|
ATOM 259 CB ASP 34 2.188 -3.990 2.477 1.00 9.55 1CAA 312
|
|
ATOM 260 CG ASP 34 2.713 -5.266 1.843 1.00 8.98 1CAA 313
|
|
ATOM 261 OD1 ASP 34 3.906 -5.405 1.731 1.00 10.01 1CAA 314
|
|
ATOM 262 OD2 ASP 34 1.946 -5.900 1.143 1.00 12.58 1CAA 315
|
|
ATOM 263 N ASP 35 2.274 -1.683 4.840 1.00 6.24 1CAA 316
|
|
ATOM 264 CA ASP 35 1.754 -0.379 5.192 1.00 7.49 1CAA 317
|
|
ATOM 265 C ASP 35 2.702 0.443 6.044 1.00 6.79 1CAA 318
|
|
ATOM 266 O ASP 35 2.270 1.405 6.685 1.00 6.03 1CAA 319
|
|
ATOM 267 CB ASP 35 0.414 -0.497 5.898 1.00 10.29 1CAA 320
|
|
ATOM 268 CG ASP 35 0.502 -1.364 7.140 1.00 14.34 1CAA 321
|
|
ATOM 269 OD1 ASP 35 1.504 -2.093 7.309 1.00 17.11 1CAA 322
|
|
ATOM 270 OD2 ASP 35 -0.379 -1.229 8.005 1.00 18.68 1CAA 323
|
|
ATOM 271 N TRP 36 3.968 0.007 6.170 1.00 5.25 1CAA 324
|
|
ATOM 272 CA TRP 36 4.964 0.783 6.910 1.00 5.10 1CAA 325
|
|
ATOM 273 C TRP 36 5.150 2.033 6.083 1.00 4.55 1CAA 326
|
|
ATOM 274 O TRP 36 5.144 1.963 4.840 1.00 3.59 1CAA 327
|
|
ATOM 275 CB TRP 36 6.304 0.036 6.985 1.00 3.93 1CAA 328
|
|
ATOM 276 CG TRP 36 7.513 0.819 7.528 1.00 3.95 1CAA 329
|
|
ATOM 277 CD1 TRP 36 7.829 0.843 8.882 1.00 5.24 1CAA 330
|
|
ATOM 278 CD2 TRP 36 8.423 1.504 6.784 1.00 2.73 1CAA 331
|
|
ATOM 279 NE1 TRP 36 8.959 1.541 8.986 1.00 4.09 1CAA 332
|
|
ATOM 280 CE2 TRP 36 9.333 1.950 7.754 1.00 2.96 1CAA 333
|
|
ATOM 281 CE3 TRP 36 8.525 1.916 5.483 1.00 3.74 1CAA 334
|
|
ATOM 282 CZ2 TRP 36 10.379 2.807 7.438 1.00 3.32 1CAA 335
|
|
ATOM 283 CZ3 TRP 36 9.563 2.788 5.152 1.00 4.05 1CAA 336
|
|
ATOM 284 CH2 TRP 36 10.484 3.225 6.117 1.00 3.67 1CAA 337
|
|
ATOM 285 N VAL 37 5.490 3.137 6.742 1.00 4.09 1CAA 338
|
|
ATOM 286 CA VAL 37 5.671 4.357 5.999 1.00 4.64 1CAA 339
|
|
ATOM 287 C VAL 37 6.915 5.057 6.480 1.00 5.31 1CAA 340
|
|
ATOM 288 O VAL 37 7.388 4.815 7.589 1.00 5.80 1CAA 341
|
|
ATOM 289 CB VAL 37 4.492 5.311 6.171 1.00 2.15 1CAA 342
|
|
ATOM 290 CG1 VAL 37 3.280 4.722 5.460 1.00 4.90 1CAA 343
|
|
ATOM 291 CG2 VAL 37 4.207 5.558 7.649 1.00 3.16 1CAA 344
|
|
ATOM 292 N CYS 38 7.342 6.076 5.757 1.00 6.97 1CAA 345
|
|
ATOM 293 CA CYS 38 8.524 6.801 6.180 1.00 7.05 1CAA 346
|
|
ATOM 294 C CYS 38 8.209 7.515 7.491 1.00 8.12 1CAA 347
|
|
ATOM 295 O CYS 38 7.141 8.174 7.589 1.00 6.73 1CAA 348
|
|
ATOM 296 CB CYS 38 8.881 7.784 5.085 1.00 7.31 1CAA 349
|
|
ATOM 297 SG CYS 38 10.049 9.052 5.631 1.00 4.67 1CAA 350
|
|
ATOM 298 N PRO 39 8.987 7.227 8.571 1.00 7.00 1CAA 351
|
|
ATOM 299 CA PRO 39 8.757 7.810 9.898 1.00 6.13 1CAA 352
|
|
ATOM 300 C PRO 39 8.855 9.326 9.908 1.00 5.95 1CAA 353
|
|
ATOM 301 O PRO 39 8.402 10.005 10.827 1.00 7.28 1CAA 354
|
|
ATOM 302 CB PRO 39 9.843 7.227 10.748 1.00 5.96 1CAA 355
|
|
ATOM 303 CG PRO 39 10.973 6.893 9.810 1.00 5.37 1CAA 356
|
|
ATOM 304 CD PRO 39 10.326 6.633 8.457 1.00 7.04 1CAA 357
|
|
ATOM 305 N ILE 40 9.318 9.920 8.852 1.00 3.94 1CAA 358
|
|
ATOM 306 CA ILE 40 9.399 11.353 8.869 1.00 5.46 1CAA 359
|
|
ATOM 307 C ILE 40 8.224 12.021 8.126 1.00 6.52 1CAA 360
|
|
ATOM 308 O ILE 40 7.499 12.903 8.650 1.00 7.25 1CAA 361
|
|
ATOM 309 CB ILE 40 10.727 11.765 8.159 1.00 5.82 1CAA 362
|
|
ATOM 310 CG1 ILE 40 11.960 11.239 8.908 1.00 7.51 1CAA 363
|
|
ATOM 311 CG2 ILE 40 10.796 13.267 7.926 1.00 5.07 1CAA 364
|
|
ATOM 312 CD1 ILE 40 11.926 11.424 10.439 1.00 8.87 1CAA 365
|
|
ATOM 313 N CYS 41 8.038 11.671 6.847 1.00 5.23 1CAA 366
|
|
ATOM 314 CA CYS 41 7.011 12.359 6.074 1.00 3.59 1CAA 367
|
|
ATOM 315 C CYS 41 5.717 11.569 5.860 1.00 4.51 1CAA 368
|
|
ATOM 316 O CYS 41 4.784 12.087 5.241 1.00 4.60 1CAA 369
|
|
ATOM 317 CB CYS 41 7.610 12.754 4.718 1.00 3.08 1CAA 370
|
|
ATOM 318 SG CYS 41 7.930 11.407 3.530 1.00 4.68 1CAA 371
|
|
ATOM 319 N GLY 42 5.707 10.251 6.152 1.00 4.80 1CAA 372
|
|
ATOM 320 CA GLY 42 4.503 9.469 5.955 1.00 3.59 1CAA 373
|
|
ATOM 321 C GLY 42 4.374 8.902 4.556 1.00 4.08 1CAA 374
|
|
ATOM 322 O GLY 42 3.476 8.090 4.321 1.00 3.97 1CAA 375
|
|
ATOM 323 N ALA 43 5.469 8.949 3.757 1.00 3.85 1CAA 376
|
|
ATOM 324 CA ALA 43 5.407 8.411 2.410 1.00 2.91 1CAA 377
|
|
ATOM 325 C ALA 43 5.312 6.897 2.438 1.00 4.02 1CAA 378
|
|
ATOM 326 O ALA 43 5.991 6.235 3.237 1.00 3.66 1CAA 379
|
|
ATOM 327 CB ALA 43 6.666 8.819 1.651 1.00 3.75 1CAA 380
|
|
ATOM 328 N PRO 44 4.578 6.273 1.495 1.00 3.75 1CAA 381
|
|
ATOM 329 CA PRO 44 4.466 4.800 1.446 1.00 3.55 1CAA 382
|
|
ATOM 330 C PRO 44 5.773 4.172 0.992 1.00 3.80 1CAA 383
|
|
ATOM 331 O PRO 44 6.628 4.847 0.425 1.00 4.40 1CAA 384
|
|
ATOM 332 CB PRO 44 3.340 4.511 0.470 1.00 3.18 1CAA 385
|
|
ATOM 333 CG PRO 44 3.047 5.828 -0.236 1.00 5.98 1CAA 386
|
|
ATOM 334 CD PRO 44 3.627 6.953 0.618 1.00 3.92 1CAA 387
|
|
ATOM 335 N LYS 45 5.919 2.860 1.139 1.00 4.17 1CAA 388
|
|
ATOM 336 CA LYS 45 7.134 2.216 0.715 1.00 3.73 1CAA 389
|
|
ATOM 337 C LYS 45 7.439 2.465 -0.759 1.00 4.64 1CAA 390
|
|
ATOM 338 O LYS 45 8.601 2.511 -1.168 1.00 4.79 1CAA 391
|
|
ATOM 339 CB LYS 45 7.000 0.730 0.896 1.00 2.39 1CAA 392
|
|
ATOM 340 CG LYS 45 7.339 0.304 2.313 1.00 4.36 1CAA 393
|
|
ATOM 341 CD LYS 45 7.151 -1.217 2.460 1.00 4.13 1CAA 394
|
|
ATOM 342 CE LYS 45 8.396 -1.981 2.053 1.00 3.36 1CAA 395
|
|
ATOM 343 NZ LYS 45 8.206 -3.409 2.305 1.00 4.39 1CAA 396
|
|
ATOM 344 N SER 46 6.413 2.641 -1.607 1.00 4.11 1CAA 397
|
|
ATOM 345 CA SER 46 6.672 2.832 -3.016 1.00 4.00 1CAA 398
|
|
ATOM 346 C SER 46 7.553 4.030 -3.305 1.00 3.90 1CAA 399
|
|
ATOM 347 O SER 46 8.149 4.098 -4.390 1.00 3.35 1CAA 400
|
|
ATOM 348 CB SER 46 5.346 3.036 -3.758 1.00 3.38 1CAA 401
|
|
ATOM 349 OG SER 46 4.763 4.288 -3.383 1.00 3.80 1CAA 402
|
|
ATOM 350 N GLU 47 7.704 4.967 -2.342 1.00 2.57 1CAA 403
|
|
ATOM 351 CA GLU 47 8.462 6.158 -2.667 1.00 3.51 1CAA 404
|
|
ATOM 352 C GLU 47 9.933 6.064 -2.258 1.00 3.61 1CAA 405
|
|
ATOM 353 O GLU 47 10.639 7.082 -2.182 1.00 4.05 1CAA 406
|
|
ATOM 354 CB GLU 47 7.785 7.341 -1.980 1.00 3.71 1CAA 407
|
|
ATOM 355 CG GLU 47 6.321 7.489 -2.407 1.00 4.62 1CAA 408
|
|
ATOM 356 CD GLU 47 6.183 7.511 -3.913 1.00 5.94 1CAA 409
|
|
ATOM 357 OE1 GLU 47 6.397 8.571 -4.502 1.00 8.81 1CAA 410
|
|
ATOM 358 OE2 GLU 47 5.843 6.481 -4.499 1.00 5.92 1CAA 411
|
|
ATOM 359 N PHE 48 10.336 4.879 -1.824 1.00 2.36 1CAA 412
|
|
ATOM 360 CA PHE 48 11.707 4.700 -1.428 1.00 4.26 1CAA 413
|
|
ATOM 361 C PHE 48 12.471 4.167 -2.598 1.00 6.95 1CAA 414
|
|
ATOM 362 O PHE 48 11.959 3.267 -3.282 1.00 4.69 1CAA 415
|
|
ATOM 363 CB PHE 48 11.843 3.679 -0.305 1.00 5.19 1CAA 416
|
|
ATOM 364 CG PHE 48 11.491 4.289 1.035 1.00 2.32 1CAA 417
|
|
ATOM 365 CD1 PHE 48 10.174 4.634 1.332 1.00 3.97 1CAA 418
|
|
ATOM 366 CD2 PHE 48 12.504 4.602 1.910 1.00 3.52 1CAA 419
|
|
ATOM 367 CE1 PHE 48 9.901 5.308 2.523 1.00 5.65 1CAA 420
|
|
ATOM 368 CE2 PHE 48 12.226 5.263 3.098 1.00 2.00 1CAA 421
|
|
ATOM 369 CZ PHE 48 10.938 5.625 3.413 1.00 5.42 1CAA 422
|
|
ATOM 370 N GLU 49 13.785 4.407 -2.565 1.00 6.77 1CAA 423
|
|
ATOM 371 CA GLU 49 14.657 3.947 -3.653 1.00 9.44 1CAA 424
|
|
ATOM 372 C GLU 49 15.964 3.419 -3.076 1.00 7.87 1CAA 425
|
|
ATOM 373 O GLU 49 16.476 3.999 -2.118 1.00 6.06 1CAA 426
|
|
ATOM 374 CB GLU 49 15.004 5.098 -4.553 1.00 13.07 1CAA 427
|
|
ATOM 375 CG GLU 49 15.870 4.650 -5.703 1.00 19.50 1CAA 428
|
|
ATOM 376 CD GLU 49 16.161 5.800 -6.660 1.00 24.01 1CAA 429
|
|
ATOM 377 OE1 GLU 49 15.229 6.191 -7.387 1.00 23.03 1CAA 430
|
|
ATOM 378 OE2 GLU 49 17.212 6.459 -6.471 1.00 26.91 1CAA 431
|
|
ATOM 379 N LYS 50 16.276 2.152 -3.354 1.00 7.85 1CAA 432
|
|
ATOM 380 CA LYS 50 17.506 1.596 -2.810 1.00 7.03 1CAA 433
|
|
ATOM 381 C LYS 50 18.750 2.376 -3.216 1.00 7.35 1CAA 434
|
|
ATOM 382 O LYS 50 18.952 2.679 -4.398 1.00 7.57 1CAA 435
|
|
ATOM 383 CB LYS 50 17.639 0.169 -3.281 1.00 6.81 1CAA 436
|
|
ATOM 384 CG LYS 50 18.629 -0.608 -2.446 1.00 7.92 1CAA 437
|
|
ATOM 385 CD LYS 50 18.589 -2.042 -2.897 1.00 9.66 1CAA 438
|
|
ATOM 386 CE LYS 50 19.090 -2.909 -1.771 1.00 13.57 1CAA 439
|
|
ATOM 387 NZ LYS 50 18.965 -4.301 -2.157 1.00 18.37 1CAA 440
|
|
ATOM 388 N LEU 51 19.732 2.459 -2.320 1.00 8.00 1CAA 441
|
|
ATOM 389 CA LEU 51 20.945 3.196 -2.665 1.00 9.62 1CAA 442
|
|
ATOM 390 C LEU 51 22.051 2.232 -3.101 1.00 11.00 1CAA 443
|
|
ATOM 391 O LEU 51 22.632 1.529 -2.297 1.00 11.40 1CAA 444
|
|
ATOM 392 CB LEU 51 21.386 4.076 -1.495 1.00 6.34 1CAA 445
|
|
ATOM 393 CG LEU 51 20.430 5.217 -1.151 1.00 5.47 1CAA 446
|
|
ATOM 394 CD1 LEU 51 20.920 6.006 0.053 1.00 5.69 1CAA 447
|
|
ATOM 395 CD2 LEU 51 20.209 6.119 -2.350 1.00 4.60 1CAA 448
|
|
ATOM 396 N GLU 52 21.865 1.772 -4.320 1.00 14.23 1CAA 449
|
|
ATOM 397 CA GLU 52 22.757 0.840 -4.962 1.00 17.86 1CAA 450
|
|
ATOM 398 C GLU 52 22.751 1.181 -6.444 1.00 19.61 1CAA 451
|
|
ATOM 399 O GLU 52 21.847 1.830 -6.967 1.00 20.61 1CAA 452
|
|
ATOM 400 CB GLU 52 22.153 -0.547 -4.864 1.00 21.28 1CAA 453
|
|
ATOM 401 CG GLU 52 20.653 -0.450 -5.219 1.00 27.30 1CAA 454
|
|
ATOM 402 CD GLU 52 20.080 -1.429 -6.247 1.00 30.09 1CAA 455
|
|
ATOM 403 OE1 GLU 52 20.512 -2.587 -6.247 1.00 32.43 1CAA 456
|
|
ATOM 404 OE2 GLU 52 18.962 -1.167 -6.722 1.00 32.06 1CAA 457
|
|
ATOM 405 N ASP 53 23.768 0.825 -7.185 1.00 21.00 1CAA 458
|
|
ATOM 406 CA ASP 53 23.634 1.102 -8.592 1.00 23.71 1CAA 459
|
|
ATOM 407 C ASP 53 22.680 0.057 -9.196 1.00 24.41 1CAA 460
|
|
ATOM 408 O ASP 53 22.420 -0.950 -8.541 1.00 25.00 1CAA 461
|
|
ATOM 409 CB ASP 53 24.983 0.999 -9.268 1.00 25.44 1CAA 462
|
|
ATOM 410 CG ASP 53 24.821 0.825 -10.779 1.00 28.04 1CAA 463
|
|
ATOM 411 OD1 ASP 53 24.134 1.663 -11.388 1.00 28.65 1CAA 464
|
|
ATOM 412 OD2 ASP 53 24.994 -0.313 -11.216 1.00 28.71 1CAA 465
|
|
ATOM 413 OXT ASP 53 22.094 0.307 -10.241 1.00 26.56 1CAA 466
|
|
TER 414 ASP 53 1CAA 467
|
|
HETATM 415 FE FE 54 9.996 10.571 3.865 1.00 6.17 1CAA 468
|
|
HETATM 416 O HOH 101 22.961 0.544 0.337 1.00 18.41 1CAA 469
|
|
HETATM 417 O HOH 102 3.629 1.818 2.706 1.00 4.34 1CAA 470
|
|
HETATM 418 O HOH 103 1.356 3.373 2.952 1.00 9.39 1CAA 471
|
|
HETATM 419 O HOH 104 1.332 6.345 3.011 1.00 15.73 1CAA 472
|
|
HETATM 420 O HOH 105 18.408 6.984 9.079 1.00 11.65 1CAA 473
|
|
HETATM 421 O HOH 106 16.541 3.377 9.462 1.00 8.41 1CAA 474
|
|
HETATM 422 O HOH 107 5.234 2.881 9.816 1.00 9.14 1CAA 475
|
|
HETATM 423 O HOH 108 5.276 8.813 9.409 1.00 9.48 1CAA 476
|
|
HETATM 424 O HOH 109 7.655 4.369 10.204 1.00 4.00 1CAA 477
|
|
HETATM 425 O HOH 110 5.757 6.247 11.294 1.00 9.98 1CAA 478
|
|
HETATM 426 O HOH 111 18.144 5.246 11.204 1.00 17.92 1CAA 479
|
|
HETATM 427 O HOH 112 15.798 3.975 12.816 1.00 13.15 1CAA 480
|
|
HETATM 428 O HOH 113 12.740 4.147 15.163 1.00 11.26 1CAA 481
|
|
HETATM 429 O HOH 114 18.144 1.927 15.337 1.00 21.69 1CAA 482
|
|
HETATM 430 O HOH 115 5.811 1.452 17.954 1.00 21.67 1CAA 483
|
|
HETATM 431 O HOH 116 14.546 4.238 18.919 1.00 22.37 1CAA 484
|
|
HETATM 432 O HOH 117 9.147 1.521 20.294 1.00 9.89 1CAA 485
|
|
HETATM 433 O HOH 118 11.550 2.494 20.578 1.00 15.54 1CAA 486
|
|
HETATM 434 O HOH 119 7.600 3.832 20.957 1.00 9.71 1CAA 487
|
|
HETATM 435 O HOH 120 6.050 -4.409 0.690 1.00 12.17 1CAA 488
|
|
HETATM 436 O HOH 121 2.671 -6.825 5.094 1.00 15.63 1CAA 489
|
|
HETATM 437 O HOH 122 22.795 -0.928 5.796 1.00 17.08 1CAA 490
|
|
HETATM 438 O HOH 123 5.599 -1.873 12.454 1.00 21.06 1CAA 491
|
|
HETATM 439 O HOH 124 15.979 -7.971 13.952 1.00 2.50 1CAA 492
|
|
HETATM 440 O HOH 125 21.859 -0.829 14.554 1.00 12.36 1CAA 493
|
|
HETATM 441 O HOH 126 11.528 -8.447 14.748 1.00 17.10 1CAA 494
|
|
HETATM 442 O HOH 127 14.925 1.034 -5.900 1.00 13.98 1CAA 495
|
|
HETATM 443 O HOH 128 9.475 16.145 5.804 1.00 17.74 1CAA 496
|
|
HETATM 444 O HOH 129 13.311 16.682 4.435 1.00 22.32 1CAA 497
|
|
HETATM 445 O HOH 130 10.066 1.052 -3.093 1.00 8.73 1CAA 498
|
|
HETATM 446 O HOH 131 18.968 12.989 3.205 1.00 6.94 1CAA 499
|
|
HETATM 447 O HOH 132 17.180 17.143 2.641 1.00 14.50 1CAA 500
|
|
HETATM 448 O HOH 133 18.140 15.008 1.641 1.00 5.74 1CAA 501
|
|
HETATM 449 O HOH 134 20.784 15.909 1.101 1.00 2.82 1CAA 502
|
|
HETATM 450 O HOH 135 17.134 -4.647 0.555 1.00 16.46 1CAA 503
|
|
HETATM 451 O HOH 136 11.541 -3.991 -2.437 1.00 20.42 1CAA 504
|
|
HETATM 452 O HOH 137 -0.523 3.056 0.764 1.00 19.04 1CAA 505
|
|
HETATM 453 O HOH 138 -0.109 2.829 5.280 1.00 29.08 1CAA 506
|
|
HETATM 454 O HOH 139 21.365 6.278 7.934 1.00 14.01 1CAA 507
|
|
HETATM 455 O HOH 140 24.743 0.806 8.375 1.00 18.87 1CAA 508
|
|
HETATM 456 O HOH 141 13.712 5.430 11.862 1.00 16.00 1CAA 509
|
|
HETATM 457 O HOH 142 20.667 5.107 12.314 1.00 21.11 1CAA 510
|
|
HETATM 458 O HOH 143 21.494 7.633 12.617 1.00 25.65 1CAA 511
|
|
HETATM 459 O HOH 144 4.292 0.756 15.828 1.00 29.16 1CAA 512
|
|
HETATM 460 O HOH 145 18.635 1.149 17.930 1.00 16.52 1CAA 513
|
|
HETATM 461 O HOH 146 15.461 2.204 20.363 1.00 13.29 1CAA 514
|
|
HETATM 462 O HOH 147 13.372 1.122 21.832 1.00 10.18 1CAA 515
|
|
HETATM 463 O HOH 148 20.560 -5.792 8.531 1.00 29.13 1CAA 516
|
|
HETATM 464 O HOH 149 24.566 -5.944 8.486 1.00 27.95 1CAA 517
|
|
HETATM 465 O HOH 150 10.987 -6.165 12.010 1.00 17.97 1CAA 518
|
|
HETATM 466 O HOH 151 6.111 -4.861 12.533 1.00 22.10 1CAA 519
|
|
HETATM 467 O HOH 152 15.715 10.275 -4.007 1.00 36.45 1CAA 520
|
|
HETATM 468 O HOH 153 13.812 12.465 -4.781 1.00 24.21 1CAA 521
|
|
HETATM 469 O HOH 154 3.116 4.588 10.774 1.00 24.05 1CAA 522
|
|
HETATM 470 O HOH 155 7.962 7.841 13.894 1.00 37.48 1CAA 523
|
|
HETATM 471 O HOH 156 3.361 1.948 13.017 1.00 32.01 1CAA 524
|
|
HETATM 472 O HOH 157 23.811 -4.771 1.774 1.00 32.88 1CAA 525
|
|
HETATM 473 O HOH 158 6.034 -6.853 3.364 1.00 23.62 1CAA 526
|
|
HETATM 474 O HOH 159 8.751 -6.221 9.709 1.00 39.60 1CAA 527
|
|
HETATM 475 O HOH 160 4.537 12.745 8.958 1.00 22.35 1CAA 528
|
|
HETATM 476 O HOH 161 2.440 8.917 8.766 1.00 25.21 1CAA 529
|
|
CONECT 41 40 415 1CAA 530
|
|
CONECT 64 63 415 1CAA 531
|
|
CONECT 297 296 415 1CAA 532
|
|
CONECT 318 317 415 1CAA 533
|
|
CONECT 415 41 64 297 318 1CAA 534
|
|
MASTER 16 0 1 4 3 3 0 6 475 1 5 5 1CAAA 6
|
|
END 1CAA 536
|