HEADER PLANT SEED PROTEIN 30-APR-81 1CRN
COMPND CRAMBIN
SOURCE ABYSSINIAN CABBAGE (CRAMBE ABYSSINICA) SEED
AUTHOR W.A.HENDRICKSON,M.M.TEETER
REVDAT 5 16-APR-87 1CRND 1 HEADER
REVDAT 4 04-MAR-85 1CRNC 1 REMARK
REVDAT 3 30-SEP-83 1CRNB 1 REVDAT
REVDAT 2 03-DEC-81 1CRNA 1 SHEET
REVDAT 1 28-JUL-81 1CRN 0
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH M.M.TEETER
REMARK 1 TITL WATER STRUCTURE OF A HYDROPHOBIC PROTEIN AT ATOMIC
REMARK 1 TITL 2 RESOLUTION. PENTAGON RINGS OF WATER MOLECULES IN
REMARK 1 TITL 3 CRYSTALS OF CRAMBIN
REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 81 6014 1984
REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 040
REMARK 1 REFERENCE 2
REMARK 1 AUTH W.A.HENDRICKSON,M.M.TEETER
REMARK 1 TITL STRUCTURE OF THE HYDROPHOBIC PROTEIN CRAMBIN
REMARK 1 TITL 2 DETERMINED DIRECTLY FROM THE ANOMALOUS SCATTERING
REMARK 1 TITL 3 OF SULPHUR
REMARK 1 REF NATURE V. 290 107 1981
REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006
REMARK 1 REFERENCE 3
REMARK 1 AUTH M.M.TEETER,W.A.HENDRICKSON
REMARK 1 TITL HIGHLY ORDERED CRYSTALS OF THE PLANT SEED PROTEIN
REMARK 1 TITL 2 CRAMBIN
REMARK 1 REF J.MOL.BIOL. V. 127 219 1979
REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070
REMARK 2
REMARK 2 RESOLUTION. 1.5 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT. RESTRAINED LEAST SQUARES (HENDRICKSON,W.A.,
REMARK 3 KONNERT,J.H. COMPUTING IN CRYSTALLOGRAPHY, EDS.DIAMOND,R.,
REMARK 3 RAMASESHAN,S.,VENKATESAN,K. (1980)).
REMARK 4
REMARK 4 CONFORMATIONAL HETEROGENEITY EXISTS AT ILE 7 AND ILE 25
REMARK 4 WHERE CD1 ATOMS TAKE EITHER OF TWO STAGGERED POSSIBILITIES.
REMARK 4 COMPOSITIONAL HETEROGENEITY ALSO EXISTS AT POSITIONS 22 AND
REMARK 4 25. REFINEMENT PARAMETERS SUGGEST THAT RESIDUE 22 IS ABOUT
REMARK 4 60/40 PRO/SER AND THAT RESIDUE 25 IS ABOUT 60/40 ILE/LEU.
REMARK 4 THE HETEROGENEITY AT RESIDUE 22 APPARENTLY CAUSES A
REMARK 4 DISORDER IN TYR 29 - THE REFINED POSITION OF ITS OH ATOM
REMARK 4 MAKES AN IMPOSSIBLY SHORT CONTACT OF 2.6 ANGSTROMS WITH
REMARK 4 ATOM CD OF PRO 22 ON A SCREW-RELATED MOLECULE. THE
REMARK 4 DEPOSITED COORDINATES ARE ONLY FOR THE MAJOR CONTRIBUTOR AT
REMARK 4 EACH SITE (PRO 22 AND ILE 25). DEPOSITION OF THE MODEL OF
REMARK 4 DISORDER AND SOLVENT STRUCTURE IS DEFERRED UNTIL HIGHER
REMARK 4 RESOLUTION REFINEMENT. THE R-FACTOR FOR THE COMPLETE MODEL
REMARK 4 INCLUDING HETEROGENEITY AND SOLVENT IS 0.114 ISOTROPIC AND
REMARK 4 0.104 ANISOTROPIC AGAINST ALL DATA IN THE 10.0 TO 1.5
REMARK 4 ANGSTROM SHELL.
REMARK 5
REMARK 5 THE SECONDARY STRUCTURE SPECIFICATIONS ARE THOSE DEFINED
REMARK 5 IN REFERENCE 1 ABOVE AND DEPEND ON PARTICULAR DEFINITIONS
REMARK 5 THAT MAY AFFECT THE DETERMINATION OF END POINTS. PLEASE
REMARK 5 CONSULT THE PRIMARY REFERENCE AND EXAMINE STRUCTURAL
REMARK 5 DETAILS SUCH AS HYDROGEN BONDING AND CONFORMATION ANGLES
REMARK 5 WHEN MAKING USE OF THE SPECIFICATIONS.
REMARK 6
REMARK 6 CORRECTION. CORRECT RESIDUE NUMBER ON STRAND 1 OF SHEET S1.
REMARK 6 03-DEC-81.
REMARK 7
REMARK 7 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83.
REMARK 8
REMARK 8 CORRECTION. INSERT NEW PUBLICATION AS REFERENCE 1 AND
REMARK 8 RENUMBER THE OTHERS. 04-MAR-85.
REMARK 9
REMARK 9 CORRECTION. CHANGE DEPOSITION DATE FROM 31-APR-81 TO
REMARK 9 30-APR-81. 16-APR-87.
SEQRES 1 46 THR THR CYS CYS PRO SER ILE VAL ALA ARG SER ASN PHE
SEQRES 2 46 ASN VAL CYS ARG LEU PRO GLY THR PRO GLU ALA ILE CYS
SEQRES 3 46 ALA THR TYR THR GLY CYS ILE ILE ILE PRO GLY ALA THR
SEQRES 4 46 CYS PRO GLY ASP TYR ALA ASN
HELIX 1 H1 ILE 7 PRO 19 1 3/10 CONFORMATION RES 17,19
HELIX 2 H2 GLU 23 THR 30 1 DISTORTED 3/10 AT RES 30
SHEET 1 S1 2 THR 1 CYS 4 0
SHEET 2 S1 2 CYS 32 ILE 35 -1
TURN 1 T1 PRO 41 TYR 44
SSBOND 1 CYS 3 CYS 40
SSBOND 2 CYS 4 CYS 32
SSBOND 3 CYS 16 CYS 26
CRYST1 40.960 18.650 22.520 90.00 90.77 90.00 P 21 2
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 .024414 0.000000 -.000328 0.00000
SCALE2 0.000000 .053619 0.000000 0.00000
SCALE3 0.000000 0.000000 .044409 0.00000
ATOM 1 N THR 1 17.047 14.099 3.625 1.00 13.79
ATOM 2 CA THR 1 16.967 12.784 4.338 1.00 10.80
ATOM 3 C THR 1 15.685 12.755 5.133 1.00 9.19
ATOM 4 O THR 1 15.268 13.825 5.594 1.00 9.85
ATOM 5 CB THR 1 18.170 12.703 5.337 1.00 13.02
ATOM 6 OG1 THR 1 19.334 12.829 4.463 1.00 15.06
ATOM 7 CG2 THR 1 18.150 11.546 6.304 1.00 14.23
ATOM 8 N THR 2 15.115 11.555 5.265 1.00 7.81
ATOM 9 CA THR 2 13.856 11.469 6.066 1.00 8.31
ATOM 10 C THR 2 14.164 10.785 7.379 1.00 5.80
ATOM 11 O THR 2 14.993 9.862 7.443 1.00 6.94
ATOM 12 CB THR 2 12.732 10.711 5.261 1.00 10.32
ATOM 13 OG1 THR 2 13.308 9.439 4.926 1.00 12.81
ATOM 14 CG2 THR 2 12.484 11.442 3.895 1.00 11.90
ATOM 15 N CYS 3 13.488 11.241 8.417 1.00 5.24
ATOM 16 CA CYS 3 13.660 10.707 9.787 1.00 5.39
ATOM 17 C CYS 3 12.269 10.431 10.323 1.00 4.45
ATOM 18 O CYS 3 11.393 11.308 10.185 1.00 6.54
ATOM 19 CB CYS 3 14.368 11.748 10.691 1.00 5.99
ATOM 20 SG CYS 3 15.885 12.426 10.016 1.00 7.01
ATOM 21 N CYS 4 12.019 9.272 10.928 1.00 3.90
ATOM 22 CA CYS 4 10.646 8.991 11.408 1.00 4.24
ATOM 23 C CYS 4 10.654 8.793 12.919 1.00 3.72
ATOM 24 O CYS 4 11.659 8.296 13.491 1.00 5.30
ATOM 25 CB CYS 4 10.057 7.752 10.682 1.00 4.41
ATOM 26 SG CYS 4 9.837 8.018 8.904 1.00 4.72
ATOM 27 N PRO 5 9.561 9.108 13.563 1.00 3.96
ATOM 28 CA PRO 5 9.448 9.034 15.012 1.00 4.25
ATOM 29 C PRO 5 9.288 7.670 15.606 1.00 4.96
ATOM 30 O PRO 5 9.490 7.519 16.819 1.00 7.44
ATOM 31 CB PRO 5 8.230 9.957 15.345 1.00 5.11
ATOM 32 CG PRO 5 7.338 9.786 14.114 1.00 5.24
ATOM 33 CD PRO 5 8.366 9.804 12.958 1.00 5.20
ATOM 34 N SER 6 8.875 6.686 14.796 1.00 4.83
ATOM 35 CA SER 6 8.673 5.314 15.279 1.00 4.45
ATOM 36 C SER 6 8.753 4.376 14.083 1.00 4.99
ATOM 37 O SER 6 8.726 4.858 12.923 1.00 4.61
ATOM 38 CB SER 6 7.340 5.121 15.996 1.00 5.05
ATOM 39 OG SER 6 6.274 5.220 15.031 1.00 6.39
ATOM 40 N ILE 7 8.881 3.075 14.358 1.00 4.94
ATOM 41 CA ILE 7 8.912 2.083 13.258 1.00 6.33
ATOM 42 C ILE 7 7.581 2.090 12.506 1.00 5.32
ATOM 43 O ILE 7 7.670 2.031 11.245 1.00 6.85
ATOM 44 CB ILE 7 9.207 .677 13.924 1.00 8.43
ATOM 45 CG1 ILE 7 10.714 .702 14.312 1.00 9.78
ATOM 46 CG2 ILE 7 8.811 -.477 12.969 1.00 11.70
ATOM 47 CD1 ILE 7 11.185 -.516 15.142 1.00 9.92
ATOM 48 N VAL 8 6.458 2.162 13.159 1.00 5.02
ATOM 49 CA VAL 8 5.145 2.209 12.453 1.00 6.93
ATOM 50 C VAL 8 5.115 3.379 11.461 1.00 5.39
ATOM 51 O VAL 8 4.664 3.268 10.343 1.00 6.30
ATOM 52 CB VAL 8 3.995 2.354 13.478 1.00 9.64
ATOM 53 CG1 VAL 8 2.716 2.891 12.869 1.00 13.85
ATOM 54 CG2 VAL 8 3.758 1.032 14.208 1.00 11.97
ATOM 55 N ALA 9 5.606 4.546 11.941 1.00 3.73
ATOM 56 CA ALA 9 5.598 5.767 11.082 1.00 3.56
ATOM 57 C ALA 9 6.441 5.527 9.850 1.00 4.13
ATOM 58 O ALA 9 6.052 5.933 8.744 1.00 4.36
ATOM 59 CB ALA 9 6.022 6.977 11.891 1.00 4.80
ATOM 60 N ARG 10 7.647 4.909 10.005 1.00 3.73
ATOM 61 CA ARG 10 8.496 4.609 8.837 1.00 3.38
ATOM 62 C ARG 10 7.798 3.609 7.876 1.00 3.47
ATOM 63 O ARG 10 7.878 3.778 6.651 1.00 4.67
ATOM 64 CB ARG 10 9.847 4.020 9.305 1.00 3.95
ATOM 65 CG ARG 10 10.752 3.607 8.149 1.00 4.55
ATOM 66 CD ARG 10 11.226 4.699 7.244 1.00 5.89
ATOM 67 NE ARG 10 12.143 5.571 8.035 1.00 6.20
ATOM 68 CZ ARG 10 12.758 6.609 7.443 1.00 7.52
ATOM 69 NH1 ARG 10 12.539 6.932 6.158 1.00 10.68
ATOM 70 NH2 ARG 10 13.601 7.322 8.202 1.00 9.48
ATOM 71 N SER 11 7.186 2.582 8.445 1.00 5.19
ATOM 72 CA SER 11 6.500 1.584 7.565 1.00 4.60
ATOM 73 C SER 11 5.382 2.313 6.773 1.00 4.84
ATOM 74 O SER 11 5.213 2.016 5.557 1.00 5.84
ATOM 75 CB SER 11 5.908 .462 8.400 1.00 5.91
ATOM 76 OG SER 11 6.990 -.272 9.012 1.00 8.38
ATOM 77 N ASN 12 4.648 3.182 7.446 1.00 3.54
ATOM 78 CA ASN 12 3.545 3.935 6.751 1.00 4.57
ATOM 79 C ASN 12 4.107 4.851 5.691 1.00 4.14
ATOM 80 O ASN 12 3.536 5.001 4.617 1.00 5.52
ATOM 81 CB ASN 12 2.663 4.677 7.748 1.00 6.42
ATOM 82 CG ASN 12 1.802 3.735 8.610 1.00 8.25
ATOM 83 OD1 ASN 12 1.567 2.613 8.165 1.00 12.72
ATOM 84 ND2 ASN 12 1.394 4.252 9.767 1.00 9.92
ATOM 85 N PHE 13 5.259 5.498 6.005 1.00 3.43
ATOM 86 CA PHE 13 5.929 6.358 5.055 1.00 3.49
ATOM 87 C PHE 13 6.304 5.578 3.799 1.00 3.40
ATOM 88 O PHE 13 6.136 6.072 2.653 1.00 4.07
ATOM 89 CB PHE 13 7.183 6.994 5.754 1.00 5.48
ATOM 90 CG PHE 13 7.884 8.006 4.883 1.00 5.57
ATOM 91 CD1 PHE 13 8.906 7.586 4.027 1.00 6.99
ATOM 92 CD2 PHE 13 7.532 9.373 4.983 1.00 6.52
ATOM 93 CE1 PHE 13 9.560 8.539 3.194 1.00 8.20
ATOM 94 CE2 PHE 13 8.176 10.281 4.145 1.00 6.34
ATOM 95 CZ PHE 13 9.141 9.845 3.292 1.00 6.84
ATOM 96 N ASN 14 6.900 4.390 3.989 1.00 3.64
ATOM 97 CA ASN 14 7.331 3.607 2.791 1.00 4.31
ATOM 98 C ASN 14 6.116 3.210 1.915 1.00 3.98
ATOM 99 O ASN 14 6.240 3.144 .684 1.00 6.22
ATOM 100 CB ASN 14 8.145 2.404 3.240 1.00 5.81
ATOM 101 CG ASN 14 9.555 2.856 3.730 1.00 6.82
ATOM 102 OD1 ASN 14 10.013 3.895 3.323 1.00 9.43
ATOM 103 ND2 ASN 14 10.120 1.956 4.539 1.00 8.21
ATOM 104 N VAL 15 4.993 2.927 2.571 1.00 3.76
ATOM 105 CA VAL 15 3.782 2.599 1.742 1.00 3.98
ATOM 106 C VAL 15 3.296 3.871 1.004 1.00 3.80
ATOM 107 O VAL 15 2.947 3.817 -.189 1.00 4.85
ATOM 108 CB VAL 15 2.698 1.953 2.608 1.00 4.71
ATOM 109 CG1 VAL 15 1.384 1.826 1.806 1.00 6.67
ATOM 110 CG2 VAL 15 3.174 .533 3.005 1.00 6.26
ATOM 111 N CYS 16 3.321 4.987 1.720 1.00 3.79
ATOM 112 CA CYS 16 2.890 6.285 1.126 1.00 3.54
ATOM 113 C CYS 16 3.687 6.597 -.111 1.00 3.48
ATOM 114 O CYS 16 3.200 7.147 -1.103 1.00 4.63
ATOM 115 CB CYS 16 3.039 7.369 2.240 1.00 4.58
ATOM 116 SG CYS 16 2.559 9.014 1.649 1.00 5.66
ATOM 117 N ARG 17 4.997 6.227 -.100 1.00 3.99
ATOM 118 CA ARG 17 5.895 6.489 -1.213 1.00 3.83
ATOM 119 C ARG 17 5.738 5.560 -2.409 1.00 3.79
ATOM 120 O ARG 17 6.228 5.901 -3.507 1.00 5.39
ATOM 121 CB ARG 17 7.370 6.507 -.731 1.00 4.11
ATOM 122 CG ARG 17 7.717 7.687 .206 1.00 4.69
ATOM 123 CD ARG 17 7.949 8.947 -.615 1.00 5.10
ATOM 124 NE ARG 17 9.212 8.856 -1.337 1.00 4.71
ATOM 125 CZ ARG 17 9.537 9.533 -2.431 1.00 5.28
ATOM 126 NH1 ARG 17 8.659 10.350 -3.032 1.00 6.67
ATOM 127 NH2 ARG 17 10.793 9.491 -2.899 1.00 6.41
ATOM 128 N LEU 18 5.051 4.411 -2.204 1.00 4.70
ATOM 129 CA LEU 18 4.933 3.431 -3.326 1.00 5.46
ATOM 130 C LEU 18 4.397 4.014 -4.620 1.00 5.13
ATOM 131 O LEU 18 4.988 3.755 -5.687 1.00 5.55
ATOM 132 CB LEU 18 4.196 2.184 -2.863 1.00 6.47
ATOM 133 CG LEU 18 4.960 1.178 -1.991 1.00 7.43
ATOM 134 CD1 LEU 18 3.907 .097 -1.634 1.00 8.70
ATOM 135 CD2 LEU 18 6.129 .606 -2.768 1.00 9.39
ATOM 136 N PRO 19 3.329 4.795 -4.543 1.00 4.28
ATOM 137 CA PRO 19 2.792 5.376 -5.797 1.00 5.38
ATOM 138 C PRO 19 3.573 6.540 -6.322 1.00 6.30
ATOM 139 O PRO 19 3.260 7.045 -7.422 1.00 9.62
ATOM 140 CB PRO 19 1.358 5.766 -5.472 1.00 5.87
ATOM 141 CG PRO 19 1.223 5.694 -3.993 1.00 6.47
ATOM 142 CD PRO 19 2.421 4.941 -3.408 1.00 6.45
ATOM 143 N GLY 20 4.565 7.047 -5.559 1.00 4.94
ATOM 144 CA GLY 20 5.366 8.191 -6.018 1.00 5.39
ATOM 145 C GLY 20 5.007 9.481 -5.280 1.00 5.03
ATOM 146 O GLY 20 5.535 10.510 -5.730 1.00 7.34
ATOM 147 N THR 21 4.181 9.438 -4.262 1.00 4.10
ATOM 148 CA THR 21 3.767 10.609 -3.513 1.00 3.94
ATOM 149 C THR 21 5.017 11.397 -3.042 1.00 3.96
ATOM 150 O THR 21 5.947 10.757 -2.523 1.00 5.82
ATOM 151 CB THR 21 2.992 10.188 -2.225 1.00 4.13
ATOM 152 OG1 THR 21 2.051 9.144 -2.623 1.00 5.45
ATOM 153 CG2 THR 21 2.260 11.349 -1.551 1.00 5.41
ATOM 154 N PRO 22 4.971 12.703 -3.176 1.00 5.04
ATOM 155 CA PRO 22 6.143 13.513 -2.696 1.00 4.69
ATOM 156 C PRO 22 6.400 13.233 -1.225 1.00 4.19
ATOM 157 O PRO 22 5.485 13.061 -.382 1.00 4.47
ATOM 158 CB PRO 22 5.703 14.969 -2.920 1.00 7.12
ATOM 159 CG PRO 22 4.676 14.893 -3.996 1.00 7.03
ATOM 160 CD PRO 22 3.964 13.567 -3.811 1.00 4.90
ATOM 161 N GLU 23 7.728 13.297 -.921 1.00 5.16
ATOM 162 CA GLU 23 8.114 13.103 .500 1.00 5.31
ATOM 163 C GLU 23 7.427 14.073 1.410 1.00 4.11
ATOM 164 O GLU 23 7.036 13.682 2.540 1.00 5.11
ATOM 165 CB GLU 23 9.648 13.285 .660 1.00 6.16
ATOM 166 CG GLU 23 10.440 12.093 .063 1.00 7.48
ATOM 167 CD GLU 23 11.941 12.170 .391 1.00 9.40
ATOM 168 OE1 GLU 23 12.416 13.225 .681 1.00 10.40
ATOM 169 OE2 GLU 23 12.539 11.070 .292 1.00 13.32
ATOM 170 N ALA 24 7.212 15.334 .966 1.00 4.56
ATOM 171 CA ALA 24 6.614 16.317 1.913 1.00 4.49
ATOM 172 C ALA 24 5.212 15.936 2.350 1.00 4.10
ATOM 173 O ALA 24 4.782 16.166 3.495 1.00 5.64
ATOM 174 CB ALA 24 6.605 17.695 1.246 1.00 5.80
ATOM 175 N ILE 25 4.445 15.318 1.405 1.00 4.37
ATOM 176 CA ILE 25 3.074 14.894 1.756 1.00 5.44
ATOM 177 C ILE 25 3.085 13.643 2.645 1.00 4.32
ATOM 178 O ILE 25 2.315 13.523 3.578 1.00 4.72
ATOM 179 CB ILE 25 2.204 14.637 .462 1.00 6.42
ATOM 180 CG1 ILE 25 1.815 16.048 -.129 1.00 7.50
ATOM 181 CG2 ILE 25 .903 13.864 .811 1.00 7.65
ATOM 182 CD1 ILE 25 .756 16.761 .757 1.00 7.80
ATOM 183 N CYS 26 4.032 12.764 2.313 1.00 3.92
ATOM 184 CA CYS 26 4.180 11.549 3.187 1.00 4.37
ATOM 185 C CYS 26 4.632 11.944 4.596 1.00 3.95
ATOM 186 O CYS 26 4.227 11.252 5.547 1.00 4.74
ATOM 187 CB CYS 26 5.038 10.518 2.539 1.00 4.63
ATOM 188 SG CYS 26 4.349 9.794 1.022 1.00 5.61
ATOM 189 N ALA 27 5.408 13.012 4.694 1.00 3.89
ATOM 190 CA ALA 27 5.879 13.502 6.026 1.00 4.43
ATOM 191 C ALA 27 4.696 13.908 6.882 1.00 4.26
ATOM 192 O ALA 27 4.528 13.422 8.025 1.00 5.44
ATOM 193 CB ALA 27 6.880 14.615 5.830 1.00 5.36
ATOM 194 N THR 28 3.827 14.802 6.358 1.00 4.53
ATOM 195 CA THR 28 2.691 15.221 7.194 1.00 5.08
ATOM 196 C THR 28 1.672 14.132 7.434 1.00 4.62
ATOM 197 O THR 28 .947 14.112 8.468 1.00 7.80
ATOM 198 CB THR 28 1.986 16.520 6.614 1.00 6.03
ATOM 199 OG1 THR 28 1.664 16.221 5.230 1.00 7.19
ATOM 200 CG2 THR 28 2.914 17.739 6.700 1.00 7.34
ATOM 201 N TYR 29 1.621 13.190 6.511 1.00 5.01
ATOM 202 CA TYR 29 .715 12.045 6.657 1.00 6.60
ATOM 203 C TYR 29 1.125 11.125 7.815 1.00 4.92
ATOM 204 O TYR 29 .286 10.632 8.545 1.00 7.13
ATOM 205 CB TYR 29 .755 11.229 5.322 1.00 9.66
ATOM 206 CG TYR 29 -.203 10.044 5.354 1.00 11.56
ATOM 207 CD1 TYR 29 -1.547 10.337 5.645 1.00 12.85
ATOM 208 CD2 TYR 29 .193 8.750 5.100 1.00 14.44
ATOM 209 CE1 TYR 29 -2.496 9.329 5.673 1.00 16.61
ATOM 210 CE2 TYR 29 -.801 7.705 5.156 1.00 17.11
ATOM 211 CZ TYR 29 -2.079 8.031 5.430 1.00 19.99
ATOM 212 OH TYR 29 -3.097 7.057 5.458 1.00 28.98
ATOM 213 N THR 30 2.470 10.984 7.995 1.00 5.31
ATOM 214 CA THR 30 2.986 9.994 8.950 1.00 5.70
ATOM 215 C THR 30 3.609 10.505 10.230 1.00 6.28
ATOM 216 O THR 30 3.766 9.715 11.186 1.00 8.77
ATOM 217 CB THR 30 4.076 9.103 8.225 1.00 6.55
ATOM 218 OG1 THR 30 5.125 10.027 7.824 1.00 6.57
ATOM 219 CG2 THR 30 3.493 8.324 7.035 1.00 7.29
ATOM 220 N GLY 31 3.984 11.764 10.241 1.00 4.99
ATOM 221 CA GLY 31 4.769 12.336 11.360 1.00 5.50
ATOM 222 C GLY 31 6.255 12.243 11.106 1.00 4.19
ATOM 223 O GLY 31 7.037 12.750 11.954 1.00 6.12
ATOM 224 N CYS 32 6.710 11.631 9.992 1.00 4.30
ATOM 225 CA CYS 32 8.140 11.694 9.635 1.00 4.89
ATOM 226 C CYS 32 8.500 13.141 9.206 1.00 5.50
ATOM 227 O CYS 32 7.581 13.949 8.944 1.00 5.82
ATOM 228 CB CYS 32 8.504 10.686 8.530 1.00 4.66
ATOM 229 SG CYS 32 8.048 8.987 8.881 1.00 5.33
ATOM 230 N ILE 33 9.793 13.410 9.173 1.00 6.02
ATOM 231 CA ILE 33 10.280 14.760 8.823 1.00 5.24
ATOM 232 C ILE 33 11.346 14.658 7.743 1.00 5.16
ATOM 233 O ILE 33 11.971 13.583 7.552 1.00 7.19
ATOM 234 CB ILE 33 10.790 15.535 10.085 1.00 5.49
ATOM 235 CG1 ILE 33 12.059 14.803 10.671 1.00 6.85
ATOM 236 CG2 ILE 33 9.684 15.686 11.138 1.00 6.45
ATOM 237 CD1 ILE 33 12.733 15.676 11.781 1.00 8.94
ATOM 238 N ILE 34 11.490 15.773 7.038 1.00 5.52
ATOM 239 CA ILE 34 12.552 15.877 6.036 1.00 6.82
ATOM 240 C ILE 34 13.590 16.917 6.560 1.00 6.92
ATOM 241 O ILE 34 13.168 18.006 6.945 1.00 9.22
ATOM 242 CB ILE 34 11.987 16.360 4.681 1.00 8.11
ATOM 243 CG1 ILE 34 10.914 15.338 4.163 1.00 9.59
ATOM 244 CG2 ILE 34 13.131 16.517 3.629 1.00 9.73
ATOM 245 CD1 ILE 34 10.151 16.024 2.938 1.00 13.41
ATOM 246 N ILE 35 14.856 16.493 6.536 1.00 7.06
ATOM 247 CA ILE 35 15.930 17.454 6.941 1.00 7.52
ATOM 248 C ILE 35 16.913 17.550 5.819 1.00 6.63
ATOM 249 O ILE 35 17.097 16.660 4.970 1.00 7.90
ATOM 250 CB ILE 35 16.622 16.995 8.285 1.00 8.07
ATOM 251 CG1 ILE 35 17.360 15.651 8.067 1.00 9.41
ATOM 252 CG2 ILE 35 15.592 16.974 9.434 1.00 9.46
ATOM 253 CD1 ILE 35 18.298 15.206 9.219 1.00 9.85
ATOM 254 N PRO 36 17.664 18.669 5.806 1.00 8.07
ATOM 255 CA PRO 36 18.635 18.861 4.738 1.00 8.78
ATOM 256 C PRO 36 19.925 18.042 4.949 1.00 8.31
ATOM 257 O PRO 36 20.593 17.742 3.945 1.00 9.09
ATOM 258 CB PRO 36 18.945 20.364 4.783 1.00 9.67
ATOM 259 CG PRO 36 18.238 20.937 5.908 1.00 10.15
ATOM 260 CD PRO 36 17.371 19.900 6.596 1.00 9.53
ATOM 261 N GLY 37 20.172 17.730 6.217 1.00 8.48
ATOM 262 CA GLY 37 21.452 16.969 6.513 1.00 9.20
ATOM 263 C GLY 37 21.143 15.478 6.427 1.00 10.41
ATOM 264 O GLY 37 20.138 15.023 5.878 1.00 12.06
ATOM 265 N ALA 38 22.055 14.701 7.032 1.00 9.24
ATOM 266 CA ALA 38 22.019 13.242 7.020 1.00 9.24
ATOM 267 C ALA 38 21.944 12.628 8.396 1.00 9.60
ATOM 268 O ALA 38 21.869 11.387 8.435 1.00 13.65
ATOM 269 CB ALA 38 23.246 12.697 6.275 1.00 10.43
ATOM 270 N THR 39 21.894 13.435 9.436 1.00 8.70
ATOM 271 CA THR 39 21.936 12.911 10.809 1.00 9.46
ATOM 272 C THR 39 20.615 13.191 11.521 1.00 8.32
ATOM 273 O THR 39 20.357 14.317 11.948 1.00 9.89
ATOM 274 CB THR 39 23.131 13.601 11.593 1.00 10.72
ATOM 275 OG1 THR 39 24.284 13.401 10.709 1.00 11.66
ATOM 276 CG2 THR 39 23.340 12.935 12.962 1.00 11.81
ATOM 277 N CYS 40 19.827 12.110 11.642 1.00 7.64
ATOM 278 CA CYS 40 18.504 12.312 12.298 1.00 8.05
ATOM 279 C CYS 40 18.684 12.451 13.784 1.00 7.63
ATOM 280 O CYS 40 19.533 11.718 14.362 1.00 9.64
ATOM 281 CB CYS 40 17.582 11.117 11.996 1.00 7.80
ATOM 282 SG CYS 40 17.199 10.929 10.237 1.00 7.30
ATOM 283 N PRO 41 17.880 13.266 14.426 1.00 8.00
ATOM 284 CA PRO 41 17.924 13.421 15.877 1.00 8.96
ATOM 285 C PRO 41 17.392 12.206 16.594 1.00 9.06
ATOM 286 O PRO 41 16.652 11.368 16.033 1.00 8.82
ATOM 287 CB PRO 41 17.076 14.658 16.145 1.00 10.39
ATOM 288 CG PRO 41 16.098 14.689 14.997 1.00 10.99
ATOM 289 CD PRO 41 16.859 14.150 13.779 1.00 10.49
ATOM 290 N GLY 42 17.728 12.124 17.884 1.00 7.55
ATOM 291 CA GLY 42 17.334 10.956 18.691 1.00 8.00
ATOM 292 C GLY 42 15.875 10.688 18.871 1.00 7.22
ATOM 293 O GLY 42 15.434 9.550 19.166 1.00 8.41
ATOM 294 N ASP 43 15.036 11.747 18.715 1.00 5.54
ATOM 295 CA ASP 43 13.564 11.573 18.836 1.00 5.85
ATOM 296 C ASP 43 12.936 11.227 17.470 1.00 5.87
ATOM 297 O ASP 43 11.720 11.040 17.428 1.00 7.29
ATOM 298 CB ASP 43 12.933 12.737 19.580 1.00 6.72
ATOM 299 CG ASP 43 13.140 14.094 18.958 1.00 8.59
ATOM 300 OD1 ASP 43 14.109 14.303 18.212 1.00 9.59
ATOM 301 OD2 ASP 43 12.267 14.963 19.265 1.00 11.45
ATOM 302 N TYR 44 13.725 11.174 16.425 1.00 5.22
ATOM 303 CA TYR 44 13.257 10.745 15.081 1.00 5.56
ATOM 304 C TYR 44 14.275 9.687 14.612 1.00 4.61
ATOM 305 O TYR 44 14.930 9.862 13.568 1.00 6.04
ATOM 306 CB TYR 44 13.200 11.914 14.071 1.00 5.41
ATOM 307 CG TYR 44 12.000 12.819 14.399 1.00 5.34
ATOM 308 CD1 TYR 44 12.119 13.853 15.332 1.00 6.59
ATOM 309 CD2 TYR 44 10.775 12.617 13.762 1.00 5.94
ATOM 310 CE1 TYR 44 11.045 14.675 15.610 1.00 5.97
ATOM 311 CE2 TYR 44 9.676 13.433 14.048 1.00 5.17
ATOM 312 CZ TYR 44 9.802 14.456 14.996 1.00 5.96
ATOM 313 OH TYR 44 8.740 15.265 15.269 1.00 8.60
ATOM 314 N ALA 45 14.342 8.640 15.422 1.00 4.76
ATOM 315 CA ALA 45 15.445 7.667 15.246 1.00 5.89
ATOM 316 C ALA 45 15.171 6.533 14.280 1.00 6.67
ATOM 317 O ALA 45 16.093 5.705 14.039 1.00 7.56
ATOM 318 CB ALA 45 15.680 7.099 16.682 1.00 6.82
ATOM 319 N ASN 46 13.966 6.502 13.739 1.00 5.80
ATOM 320 CA ASN 46 13.512 5.395 12.878 1.00 6.15
ATOM 321 C ASN 46 13.311 5.853 11.455 1.00 6.61
ATOM 322 O ASN 46 13.733 6.929 11.026 1.00 7.18
ATOM 323 CB ASN 46 12.266 4.769 13.501 1.00 7.27
ATOM 324 CG ASN 46 12.538 4.304 14.922 1.00 7.98
ATOM 325 OD1 ASN 46 11.982 4.849 15.886 1.00 11.00
ATOM 326 ND2 ASN 46 13.407 3.298 15.015 1.00 10.32
ATOM 327 OXT ASN 46 12.703 4.973 10.746 1.00 7.86
TER 328 ASN 46
CONECT 20 19 282
CONECT 26 25 229
CONECT 116 115 188
CONECT 188 116 187
CONECT 229 26 228
CONECT 282 20 281
MASTER 62 0 0 2 2 1 0 6 327 1 6 4
END
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