#!rasmol -script # Creator: RasMol Version 2.6 background white load pdb inline set ambient 60 set specular on set specpower 8 reset slab off rotate z -176 rotate y 45 rotate x 26 translate x -6 zoom 121 set axes off set boundingbox off set unitcell off set bondmode and dots off # Avoid Colour Problems! select all colour bonds none colour backbone none colour hbonds none colour ssbonds none colour ribbons none colour white # Atoms select (atomno>=24) and (atomno<=526) colour atoms cpk select (atomno>=527) and (atomno<=688) colour atoms red select (atomno>=689) and (atomno<=967) colour atoms cpk select (atomno>=24) and (atomno<=526) spacefill 50 select (atomno>=527) and (atomno<=688) spacefill off select (atomno>=689) and (atomno<=967) spacefill 50 set shadow on # Bonds select all wireframe on select (atomno=967) or (atomno=888) wireframe off select (atomno=963) or (atomno=925) wireframe off select (atomno=882) or (atomno=878) wireframe off select (atomno=881) or (atomno=878) wireframe 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off select (atomno=547) or (atomno=546) wireframe off select (atomno=546) or (atomno=545) wireframe off select (atomno=545) or (atomno=542) wireframe off select (atomno=544) or (atomno=543) wireframe off select (atomno=543) or (atomno=542) wireframe off select (atomno=542) or (atomno=541) wireframe off select (atomno=541) or (atomno=537) wireframe off select (atomno=540) or (atomno=539) wireframe off select (atomno=539) or (atomno=536) wireframe off select (atomno=538) or (atomno=537) wireframe off select (atomno=537) or (atomno=536) wireframe off select (atomno=536) or (atomno=535) wireframe off select (atomno=535) or (atomno=529) wireframe off select (atomno=534) or (atomno=533) wireframe off select (atomno=533) or (atomno=532) wireframe off select (atomno=532) or (atomno=531) wireframe off select (atomno=531) or (atomno=528) wireframe off select (atomno=530) or (atomno=529) wireframe off select (atomno=529) or (atomno=528) wireframe off select (atomno=528) or (atomno=527) wireframe off select (atomno=527) or (atomno=520) wireframe off select all # Ribbons ribbons off # Backbone backbone 50 # Labels labels off ssbonds off hbonds off exit HEADER DNA BINDING REGULATORY PROTEIN 01-DEC-87 2WRP 2WRP 3 COMPND $TRP REPRESSOR (ORTHORHOMBIC FORM) 2WRP 4 SOURCE (ESCHERICHIA $COLI) 2WRP 5 AUTHOR C.L.LAWSON,P.B.SIGLER 2WRP 6 REVDAT 3 15-JUL-92 2WRPB 1 JRNL 2WRPB 1 REVDAT 2 15-JAN-91 2WRPA 1 HET 2WRPA 1 REVDAT 1 16-APR-88 2WRP 0 2WRP 7 JRNL AUTH C.L.LAWSON,R.-G.ZHANG,R.W.SCHEVITZ,Z.OTWINOWSKI, 2WRP 8 JRNL AUTH 2 A.JOACHIMIAK,P.B.SIGLER 2WRP 9 JRNL TITL FLEXIBILITY OF THE /DNA$-*BINDING DOMAINS OF $TRP 2WRPB 2 JRNL TITL 2 REPRESSOR 2WRP 11 JRNL REF PROTEINS.STRUCT.,FUNCT., V. 3 18 1988 2WRPB 3 JRNL REF 2 GENET. 2WRPB 4 JRNL REFN ASTM PSFGEY US ISSN 0887-3585 867 2WRPB 5 REMARK 1 2WRP 14 REMARK 1 REFERENCE 1 2WRP 15 REMARK 1 AUTH R.-G.ZHANG,A.JOACHIMIAK,C.L.LAWSON,R.W.SCHEVITZ, 2WRP 16 REMARK 1 AUTH 2 Z.OTWINOWSKI,P.B.SIGLER 2WRP 17 REMARK 1 TITL THE CRYSTAL STRUCTURE OF $TRP APOREPRESSOR AT 1.8 2WRP 18 REMARK 1 TITL 2 ANGSTROMS SHOWS HOW BINDING TRYPTOPHAN ENHANCES 2WRP 19 REMARK 1 TITL 3 /DNA$ AFFINITY 2WRP 20 REMARK 1 REF NATURE V. 327 891 1987 2WRP 21 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 2WRP 22 REMARK 1 REFERENCE 2 2WRP 23 REMARK 1 AUTH R.W.SCHEVITZ,Z.OTWINOWSKI,A.JOACHIMIAK,C.L.LAWSON, 2WRP 24 REMARK 1 AUTH 2 P.B.SIGLER 2WRP 25 REMARK 1 TITL THE THREE-DIMENSIONAL STRUCTURE OF $TRP REPRESSOR 2WRP 26 REMARK 1 REF NATURE V. 317 782 1985 2WRP 27 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 2WRP 28 REMARK 1 REFERENCE 3 2WRP 29 REMARK 1 AUTH A.JOACHIMIAK,R.W.SCHEVITZ,R.L.KELLEY,C.YANOFSKY, 2WRP 30 REMARK 1 AUTH 2 P.B.SIGLER 2WRP 31 REMARK 1 TITL FUNCTIONAL INFERENCES FROM CRYSTALS OF ESCHERICHIA 2WRP 32 REMARK 1 TITL 2 $COLI $TRP REPRESSOR 2WRP 33 REMARK 1 REF J.BIOL.CHEM. V. 258 12641 1983 2WRP 34 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 071 2WRP 35 REMARK 1 REFERENCE 4 2WRP 36 REMARK 1 AUTH A.JOACHIMIAK,R.L.KELLEY,R.P.GUNSALUS,C.YANOFSKY, 2WRP 37 REMARK 1 AUTH 2 P.B.SIGLER 2WRP 38 REMARK 1 TITL PURIFICATION AND CHARACTERIZATION OF $TRP REPRESSOR 2WRP 39 REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 80 668 1983 2WRP 40 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 040 2WRP 41 REMARK 1 REFERENCE 5 2WRP 42 REMARK 1 AUTH R.P.GUNSALUS,C.YANOFSKY 2WRP 43 REMARK 1 TITL NUCLEOTIDE SEQUENCE AND EXPRESSION OF ESCHERICHIA 2WRP 44 REMARK 1 TITL 2 $COLI $TRP*R, THE STRUCTURAL GENE FOR THE $TRP 2WRP 45 REMARK 1 TITL 3 APOREPRESSOR 2WRP 46 REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 77 7117 1980 2WRP 47 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 040 2WRP 48 REMARK 2 2WRP 49 REMARK 2 RESOLUTION. 1.65 ANGSTROMS. 2WRP 50 REMARK 3 2WRP 51 REMARK 3 REFINEMENT. BY THE RESTRAINED LEAST-SQUARES PROCEDURE OF 2WRP 52 REMARK 3 J. KONNERT AND W. HENDRICKSON (PROGRAM *PROLSQ*) AS 2WRP 53 REMARK 3 MODIFIED BY B. FINZEL (PROGRAM *PROFFT*) AND USE OF 2WRP 54 REMARK 3 PROGRAM *FRODO* OF T. A. JONES. THE R VALUE IS 0.180. 2WRP 55 REMARK 3 THE RMS DEVIATION FROM IDEALITY OF THE BOND LENGTHS IS 2WRP 56 REMARK 3 0.012 ANGSTROMS. THE RMS DEVIATION FROM IDEALITY OF THE 2WRP 57 REMARK 3 BOND ANGLES IS 2.0 DEGREES. 2WRP 58 REMARK 4 2WRP 59 REMARK 4 ---------------------------------------------------------- 2WRP 60 REMARK 4 TRP REPRESSOR IS A STABLE DIMERIC PROTEIN. TO FOLLOW 2WRP 61 REMARK 4 PROTEIN DATA BANK CONVENTIONS ONLY THE COORDINATES OF A 2WRP 62 REMARK 4 MONOMER ARE PRESENTED IN THIS ENTRY. ANY ANALYSIS OF THIS 2WRP 63 REMARK 4 STRUCTURE REQUIRES THAT A FULL DIMER BE GENERATED AS 2WRP 64 REMARK 4 DESCRIBED IN REMARK 5. 2WRP 65 REMARK 4 ---------------------------------------------------------- 2WRP 66 REMARK 5 2WRP 67 REMARK 5 THE REPRESSOR MOLECULE CONSISTS OF A DIMER RELATED BY A 2WRP 68 REMARK 5 CRYSTALLOGRAPHIC TRANSFORMATION. COORDINATES FOR THE 2WRP 69 REMARK 5 SYMMETRY RELATED CHAIN CAN BE GENERATED FROM THE CHAIN 2WRP 70 REMARK 5 PRESENTED IN THIS ENTRY BY 2WRP 71 REMARK 5 -1.0 0.0 0.0 0.0 2WRP 72 REMARK 5 0.0 1.0 0.0 0.0 2WRP 73 REMARK 5 0.0 0.0 -1.0 0.0 2WRP 74 REMARK 6 2WRP 75 REMARK 6 AMINO-TERMINAL SEQUENCE ANALYSIS SHOWS THAT THE CRYSTALLINE 2WRP 76 REMARK 6 TRP REPRESSOR SUBUNIT STARTS WITH ALANINE AT POSITION 2 OF 2WRP 77 REMARK 6 THE 108 AMINO-ACID POLYPEPTIDE PREDICTED FROM THE GENE 2WRP 78 REMARK 6 SEQUENCE. THE TRP REPRESSOR HAS BEEN ASSIGNED CHAIN 2WRP 79 REMARK 6 IDENTIFIER *R* AND THE BOUND L-TRYPTOPHAN HAS BEEN ASSIGNED 2WRP 80 REMARK 6 CHAIN IDENTIFIER *W*. THE FIRST THREE RESIDUES OF THE TRP 2WRP 81 REMARK 6 REPRESSOR ARE NOT WELL REPRESENTED IN THE CURRENT MAP AND 2WRP 82 REMARK 6 COORDINATES FOR THESE RESIDUES ARE NOT INCLUDED IN THIS 2WRP 83 REMARK 6 ENTRY. 2WRP 84 REMARK 7 2WRP 85 REMARK 7 SITE *HTH* PRESENTS THOSE RESIDUES COMPRISING THE 2WRP 86 REMARK 7 HELIX-TURN-HELIX DNA BINDING MOTIF. 2WRP 87 REMARK 8 2WRP 88 REMARK 8 COORDINATES FOR THE TRIGONAL FORM OF TRP REPRESSOR (ENTRY 2WRP 89 REMARK 8 1WRP) AND FOR TRP APOREPRESSOR (ENTRY 3WRP) ARE ALSO 2WRP 90 REMARK 8 AVAILABLE FROM THE PROTEIN DATA BANK. 2WRP 91 REMARK 9 2WRPA 2 REMARK 9 CORRECTION. STANDARDIZE FORMAT OF HET RECORDS. 15-JAN-91. 2WRPA 3 REMARK 10 2WRPB 6 REMARK 10 CORRECTION. UPDATE JRNL REFERENCE TO REPLECT PUBLICATION. 2WRPB 7 REMARK 10 15-JUL-92. 2WRPB 8 SEQRES 1 R 107 ALA GLN GLN SER PRO TYR SER ALA ALA MET ALA GLU GLN 2WRP 92 SEQRES 2 R 107 ARG HIS GLN GLU TRP LEU ARG PHE VAL ASP LEU LEU LYS 2WRP 93 SEQRES 3 R 107 ASN ALA TYR GLN ASN ASP LEU HIS LEU PRO LEU LEU ASN 2WRP 94 SEQRES 4 R 107 LEU MET LEU THR PRO ASP GLU ARG GLU ALA LEU GLY THR 2WRP 95 SEQRES 5 R 107 ARG VAL ARG ILE VAL GLU GLU LEU LEU ARG GLY GLU MET 2WRP 96 SEQRES 6 R 107 SER GLN ARG GLU LEU LYS ASN GLU LEU GLY ALA GLY ILE 2WRP 97 SEQRES 7 R 107 ALA THR ILE THR ARG GLY SER ASN SER LEU LYS ALA ALA 2WRP 98 SEQRES 8 R 107 PRO VAL GLU LEU ARG GLN TRP LEU GLU GLU VAL LEU LEU 2WRP 99 SEQRES 9 R 107 LYS SER ASP 2WRP 100 SEQRES 1 W 1 TRP 2WRP 101 HET NA 601 1 SODIUM ION 2WRPA 4 HET SUL 602 5 SULFATE 2WRPA 5 FORMUL 3 NA NA1 + 2WRP 104 FORMUL 4 SUL O4 S1 2WRP 105 FORMUL 5 HOH *85(H2 O1) 2WRP 106 HELIX 1 A ALA R 12 GLN R 31 1 2WRP 107 HELIX 2 B HIS R 35 MET R 42 1 2WRP 108 HELIX 3 C ASP R 46 ARG R 63 1 2WRP 109 HELIX 4 D GLN R 68 GLU R 74 1 2WRP 110 HELIX 5 E ILE R 79 ALA R 91 1 2WRP 111 HELIX 6 F VAL R 94 LEU R 105 1 2WRP 112 SITE 1 HTH 24 GLN R 68 ARG R 69 GLU R 70 LEU R 71 2WRP 113 SITE 2 HTH 24 LYS R 72 ASN R 73 GLU R 74 LEU R 75 2WRP 114 SITE 3 HTH 24 GLY R 76 ALA R 77 GLY R 78 ILE R 79 2WRP 115 SITE 4 HTH 24 ALA R 80 THR R 81 ILE R 82 THR R 83 2WRP 116 SITE 5 HTH 24 ARG R 84 GLY R 85 SER R 86 ASN R 87 2WRP 117 SITE 6 HTH 24 SER R 88 LEU R 89 LYS R 90 ALA R 91 2WRP 118 CRYST1 53.600 33.100 53.300 90.00 90.00 90.00 P 21 2 21 4 2WRP 119 ORIGX1 1.000000 0.000000 0.000000 0.00000 2WRP 120 ORIGX2 0.000000 1.000000 0.000000 0.00000 2WRP 121 ORIGX3 0.000000 0.000000 1.000000 0.00000 2WRP 122 SCALE1 0.018657 0.000000 0.000000 0.00000 2WRP 123 SCALE2 0.000000 0.030211 0.000000 0.00000 2WRP 124 SCALE3 0.000000 0.000000 0.018762 0.00000 2WRP 125 ATOM 24 N SER R 5 21.745 22.316 0.407 1.00 34.65 2WRP 126 ATOM 25 CA SER R 5 22.894 21.388 0.353 1.00 34.32 2WRP 127 ATOM 26 C SER R 5 22.801 20.561 -0.923 1.00 33.70 2WRP 128 ATOM 27 O SER R 5 21.703 20.366 -1.474 1.00 34.01 2WRP 129 ATOM 28 CB SER R 5 22.885 20.557 1.622 1.00 34.94 2WRP 130 ATOM 29 OG SER R 5 23.842 19.512 1.628 1.00 35.87 2WRP 131 ATOM 30 N PRO R 6 23.941 20.095 -1.402 1.00 32.82 2WRP 132 ATOM 31 CA PRO R 6 23.999 19.267 -2.610 1.00 32.09 2WRP 133 ATOM 32 C PRO R 6 23.330 17.913 -2.374 1.00 31.17 2WRP 134 ATOM 33 O PRO R 6 23.121 17.497 -1.219 1.00 31.17 2WRP 135 ATOM 34 CB PRO R 6 25.494 19.148 -2.887 1.00 32.51 2WRP 136 ATOM 35 CG PRO R 6 26.092 19.212 -1.498 1.00 32.87 2WRP 137 ATOM 36 CD PRO R 6 25.274 20.300 -0.796 1.00 32.94 2WRP 138 ATOM 37 N TYR R 7 22.988 17.232 -3.448 1.00 29.81 2WRP 139 ATOM 38 CA TYR R 7 22.354 15.898 -3.372 1.00 28.65 2WRP 140 ATOM 39 C TYR R 7 23.392 14.933 -2.791 1.00 27.95 2WRP 141 ATOM 40 O TYR R 7 24.587 15.083 -3.103 1.00 27.75 2WRP 142 ATOM 41 CB TYR R 7 21.943 15.435 -4.768 1.00 28.53 2WRP 143 ATOM 42 CG TYR R 7 21.349 14.052 -4.883 1.00 28.38 2WRP 144 ATOM 43 CD1 TYR R 7 22.137 12.922 -5.143 1.00 28.19 2WRP 145 ATOM 44 CD2 TYR R 7 19.972 13.890 -4.747 1.00 28.27 2WRP 146 ATOM 45 CE1 TYR R 7 21.553 11.660 -5.270 1.00 27.99 2WRP 147 ATOM 46 CE2 TYR R 7 19.383 12.646 -4.871 1.00 28.20 2WRP 148 ATOM 47 CZ TYR R 7 20.183 11.531 -5.127 1.00 27.96 2WRP 149 ATOM 48 OH TYR R 7 19.534 10.333 -5.255 1.00 28.13 2WRP 150 ATOM 49 N SER R 8 22.940 13.981 -2.001 1.00 26.58 2WRP 151 ATOM 50 CA SER R 8 23.843 13.002 -1.392 1.00 25.76 2WRP 152 ATOM 51 C SER R 8 23.364 11.582 -1.713 1.00 24.84 2WRP 153 ATOM 52 O SER R 8 22.223 11.259 -1.380 1.00 24.64 2WRP 154 ATOM 53 CB SER R 8 23.914 13.162 0.131 1.00 25.94 2WRP 155 ATOM 55 N ALA R 9 24.226 10.814 -2.339 1.00 23.71 2WRP 156 ATOM 56 CA ALA R 9 23.955 9.422 -2.702 1.00 22.74 2WRP 157 ATOM 57 C ALA R 9 23.738 8.653 -1.400 1.00 21.81 2WRP 158 ATOM 58 O ALA R 9 22.989 7.673 -1.354 1.00 20.97 2WRP 159 ATOM 59 CB ALA R 9 25.136 8.827 -3.461 1.00 23.19 2WRP 160 ATOM 60 N ALA R 10 24.454 9.123 -0.382 1.00 21.35 2WRP 161 ATOM 61 CA ALA R 10 24.366 8.480 0.948 1.00 20.42 2WRP 162 ATOM 62 C ALA R 10 22.974 8.720 1.524 1.00 19.97 2WRP 163 ATOM 63 O ALA R 10 22.386 7.752 2.076 1.00 18.91 2WRP 164 ATOM 64 CB ALA R 10 25.547 8.918 1.805 1.00 21.20 2WRP 165 ATOM 65 N MET R 11 22.469 9.951 1.368 1.00 18.98 2WRP 166 ATOM 66 CA MET R 11 21.110 10.264 1.882 1.00 17.50 2WRP 167 ATOM 67 C MET R 11 20.066 9.546 1.004 1.00 16.08 2WRP 168 ATOM 68 O MET R 11 19.007 9.125 1.522 1.00 14.67 2WRP 169 ATOM 69 CB MET R 11 20.752 11.725 2.012 1.00 17.93 2WRP 170 ATOM 73 N ALA R 12 20.378 9.422 -0.276 1.00 14.78 2WRP 171 ATOM 74 CA ALA R 12 19.434 8.716 -1.162 1.00 14.60 2WRP 172 ATOM 75 C ALA R 12 19.322 7.273 -0.704 1.00 14.06 2WRP 173 ATOM 76 O ALA R 12 18.216 6.681 -0.770 1.00 13.98 2WRP 174 ATOM 77 CB ALA R 12 19.824 8.775 -2.637 1.00 14.83 2WRP 175 ATOM 78 N GLU R 13 20.436 6.692 -0.273 1.00 13.64 2WRP 176 ATOM 79 CA GLU R 13 20.427 5.290 0.177 1.00 14.03 2WRP 177 ATOM 80 C GLU R 13 19.589 5.121 1.439 1.00 13.20 2WRP 178 ATOM 81 O GLU R 13 18.877 4.099 1.581 1.00 12.34 2WRP 179 ATOM 82 CB GLU R 13 21.863 4.751 0.340 1.00 16.32 2WRP 180 ATOM 83 CG GLU R 13 22.497 4.485 -1.058 1.00 18.23 2WRP 181 ATOM 84 CD GLU R 13 23.997 4.374 -1.056 1.00 20.11 2WRP 182 ATOM 85 OE1 GLU R 13 24.622 4.524 -0.004 1.00 21.19 2WRP 183 ATOM 86 OE2 GLU R 13 24.515 4.130 -2.176 1.00 20.40 2WRP 184 ATOM 87 N GLN R 14 19.672 6.106 2.292 1.00 12.70 2WRP 185 ATOM 88 CA GLN R 14 18.872 6.056 3.529 1.00 13.30 2WRP 186 ATOM 89 C GLN R 14 17.386 6.125 3.156 1.00 12.06 2WRP 187 ATOM 90 O GLN R 14 16.534 5.385 3.661 1.00 10.95 2WRP 188 ATOM 91 CB GLN R 14 19.233 7.198 4.478 1.00 15.36 2WRP 189 ATOM 92 CG GLN R 14 18.424 7.220 5.762 1.00 19.41 2WRP 190 ATOM 93 CD GLN R 14 18.890 8.179 6.826 1.00 21.34 2WRP 191 ATOM 94 OE1 GLN R 14 20.018 8.674 6.588 1.00 22.42 2WRP 192 ATOM 95 NE2 GLN R 14 18.158 8.410 7.790 1.00 23.52 2WRP 193 ATOM 96 N ARG R 15 17.063 7.067 2.256 1.00 11.06 2WRP 194 ATOM 97 CA ARG R 15 15.627 7.203 1.856 1.00 11.04 2WRP 195 ATOM 98 C ARG R 15 15.095 5.924 1.221 1.00 10.49 2WRP 196 ATOM 99 O ARG R 15 13.951 5.479 1.459 1.00 10.46 2WRP 197 ATOM 100 CB ARG R 15 15.346 8.391 0.927 1.00 12.10 2WRP 198 ATOM 101 CG ARG R 15 15.450 9.758 1.591 1.00 13.78 2WRP 199 ATOM 102 CD ARG R 15 15.169 10.858 0.620 1.00 15.83 2WRP 200 ATOM 103 NE ARG R 15 16.117 10.946 -0.492 1.00 17.74 2WRP 201 ATOM 104 CZ ARG R 15 17.166 11.795 -0.414 1.00 18.81 2WRP 202 ATOM 105 NH1 ARG R 15 17.374 12.493 0.697 1.00 19.91 2WRP 203 ATOM 106 NH2 ARG R 15 17.975 11.991 -1.457 1.00 19.81 2WRP 204 ATOM 107 N HIS R 16 15.936 5.299 0.401 1.00 9.99 2WRP 205 ATOM 108 CA HIS R 16 15.523 4.076 -0.276 1.00 9.48 2WRP 206 ATOM 109 C HIS R 16 15.224 2.947 0.702 1.00 9.26 2WRP 207 ATOM 110 O HIS R 16 14.246 2.211 0.555 1.00 9.17 2WRP 208 ATOM 111 CB HIS R 16 16.585 3.654 -1.337 1.00 9.58 2WRP 209 ATOM 112 CG HIS R 16 16.005 2.507 -2.095 1.00 10.78 2WRP 210 ATOM 113 ND1 HIS R 16 16.309 1.200 -1.919 1.00 12.54 2WRP 211 ATOM 114 CD2 HIS R 16 15.042 2.571 -3.057 1.00 11.15 2WRP 212 ATOM 115 CE1 HIS R 16 15.583 0.466 -2.781 1.00 11.98 2WRP 213 ATOM 116 NE2 HIS R 16 14.809 1.291 -3.463 1.00 11.87 2WRP 214 ATOM 117 N GLN R 17 16.074 2.813 1.713 1.00 9.14 2WRP 215 ATOM 118 CA GLN R 17 15.863 1.760 2.745 1.00 9.59 2WRP 216 ATOM 119 C GLN R 17 14.580 2.051 3.521 1.00 8.71 2WRP 217 ATOM 120 O GLN R 17 13.838 1.106 3.866 1.00 8.97 2WRP 218 ATOM 121 CB GLN R 17 17.125 1.665 3.642 1.00 11.27 2WRP 219 ATOM 122 CG GLN R 17 17.016 0.666 4.763 1.00 13.10 2WRP 220 ATOM 123 CD GLN R 17 18.153 0.701 5.792 1.00 14.33 2WRP 221 ATOM 124 OE1 GLN R 17 18.696 -0.377 6.067 1.00 16.60 2WRP 222 ATOM 125 NE2 GLN R 17 18.418 1.843 6.360 1.00 13.77 2WRP 223 ATOM 126 N GLU R 18 14.312 3.307 3.836 1.00 8.60 2WRP 224 ATOM 127 CA GLU R 18 13.100 3.667 4.585 1.00 9.39 2WRP 225 ATOM 128 C GLU R 18 11.849 3.363 3.763 1.00 9.10 2WRP 226 ATOM 129 O GLU R 18 10.866 2.880 4.340 1.00 7.72 2WRP 227 ATOM 130 CB GLU R 18 13.081 5.151 4.959 1.00 11.45 2WRP 228 ATOM 131 CG GLU R 18 14.028 5.467 6.134 1.00 14.40 2WRP 229 ATOM 132 CD GLU R 18 14.396 6.881 6.421 1.00 17.10 2WRP 230 ATOM 133 OE1 GLU R 18 15.299 7.125 7.244 1.00 18.53 2WRP 231 ATOM 134 OE2 GLU R 18 13.766 7.792 5.810 1.00 19.16 2WRP 232 ATOM 135 N TRP R 19 11.929 3.599 2.465 1.00 8.63 2WRP 233 ATOM 136 CA TRP R 19 10.764 3.320 1.582 1.00 8.88 2WRP 234 ATOM 137 C TRP R 19 10.524 1.829 1.536 1.00 8.54 2WRP 235 ATOM 138 O TRP R 19 9.373 1.355 1.701 1.00 7.90 2WRP 236 ATOM 139 CB TRP R 19 11.010 3.954 0.206 1.00 10.55 2WRP 237 ATOM 140 CG TRP R 19 10.104 3.408 -0.864 1.00 11.16 2WRP 238 ATOM 141 CD1 TRP R 19 10.460 2.696 -1.973 1.00 12.16 2WRP 239 ATOM 142 CD2 TRP R 19 8.669 3.531 -0.882 1.00 12.04 2WRP 240 ATOM 143 NE1 TRP R 19 9.316 2.368 -2.713 1.00 12.55 2WRP 241 ATOM 144 CE2 TRP R 19 8.240 2.861 -2.051 1.00 12.19 2WRP 242 ATOM 145 CE3 TRP R 19 7.767 4.115 -0.011 1.00 12.36 2WRP 243 ATOM 146 CZ2 TRP R 19 6.878 2.782 -2.374 1.00 13.00 2WRP 244 ATOM 147 CZ3 TRP R 19 6.411 4.023 -0.326 1.00 13.53 2WRP 245 ATOM 148 CH2 TRP R 19 6.022 3.368 -1.491 1.00 13.05 2WRP 246 ATOM 149 N LEU R 20 11.563 1.030 1.321 1.00 8.31 2WRP 247 ATOM 150 CA LEU R 20 11.399 -0.416 1.273 1.00 9.39 2WRP 248 ATOM 151 C LEU R 20 10.876 -0.921 2.611 1.00 9.21 2WRP 249 ATOM 152 O LEU R 20 10.178 -1.922 2.632 1.00 8.90 2WRP 250 ATOM 153 CB LEU R 20 12.716 -1.108 0.923 1.00 11.42 2WRP 251 ATOM 154 CG LEU R 20 13.111 -1.212 -0.528 1.00 14.06 2WRP 252 ATOM 155 CD1 LEU R 20 14.436 -1.962 -0.519 1.00 15.19 2WRP 253 ATOM 156 CD2 LEU R 20 12.030 -1.929 -1.328 1.00 14.82 2WRP 254 ATOM 157 N ARG R 21 11.242 -0.257 3.711 1.00 9.21 2WRP 255 ATOM 158 CA ARG R 21 10.746 -0.729 5.035 1.00 9.96 2WRP 256 ATOM 159 C ARG R 21 9.214 -0.613 5.026 1.00 8.30 2WRP 257 ATOM 160 O ARG R 21 8.580 -1.553 5.494 1.00 8.84 2WRP 258 ATOM 161 CB ARG R 21 11.369 0.073 6.181 1.00 12.57 2WRP 259 ATOM 162 CG ARG R 21 11.039 -0.486 7.566 1.00 16.41 2WRP 260 ATOM 163 CD ARG R 21 11.996 0.105 8.573 1.00 19.31 2WRP 261 ATOM 164 NE ARG R 21 12.039 -0.884 9.677 1.00 22.28 2WRP 262 ATOM 165 CZ ARG R 21 12.106 -0.382 10.914 1.00 23.43 2WRP 263 ATOM 166 NH1 ARG R 21 12.177 0.941 11.036 1.00 24.34 2WRP 264 ATOM 167 NH2 ARG R 21 12.040 -1.248 11.928 1.00 24.32 2WRP 265 ATOM 168 N PHE R 22 8.675 0.457 4.489 1.00 7.73 2WRP 266 ATOM 169 CA PHE R 22 7.203 0.640 4.408 1.00 7.36 2WRP 267 ATOM 170 C PHE R 22 6.625 -0.436 3.477 1.00 7.08 2WRP 268 ATOM 171 O PHE R 22 5.655 -1.138 3.834 1.00 6.75 2WRP 269 ATOM 172 CB PHE R 22 6.846 2.023 3.875 1.00 8.61 2WRP 270 ATOM 173 CG PHE R 22 5.373 2.080 3.537 1.00 10.61 2WRP 271 ATOM 174 CD1 PHE R 22 4.933 1.982 2.216 1.00 11.78 2WRP 272 ATOM 175 CD2 PHE R 22 4.468 2.237 4.580 1.00 12.13 2WRP 273 ATOM 176 CE1 PHE R 22 3.570 2.034 1.913 1.00 12.55 2WRP 274 ATOM 177 CE2 PHE R 22 3.082 2.274 4.306 1.00 12.36 2WRP 275 ATOM 178 CZ PHE R 22 2.673 2.188 2.962 1.00 12.53 2WRP 276 ATOM 179 N VAL R 23 7.225 -0.589 2.298 1.00 7.36 2WRP 277 ATOM 180 CA VAL R 23 6.735 -1.599 1.334 1.00 7.24 2WRP 278 ATOM 181 C VAL R 23 6.666 -2.996 1.946 1.00 6.99 2WRP 279 ATOM 182 O VAL R 23 5.682 -3.748 1.773 1.00 7.54 2WRP 280 ATOM 183 CB VAL R 23 7.544 -1.582 0.016 1.00 7.78 2WRP 281 ATOM 184 CG1 VAL R 23 7.069 -2.713 -0.931 1.00 8.45 2WRP 282 ATOM 185 CG2 VAL R 23 7.475 -0.202 -0.596 1.00 7.88 2WRP 283 ATOM 186 N ASP R 24 7.694 -3.385 2.670 1.00 6.86 2WRP 284 ATOM 187 CA ASP R 24 7.789 -4.716 3.283 1.00 7.50 2WRP 285 ATOM 188 C ASP R 24 6.845 -4.847 4.489 1.00 6.36 2WRP 286 ATOM 189 O ASP R 24 6.290 -5.932 4.683 1.00 7.48 2WRP 287 ATOM 190 CB ASP R 24 9.265 -5.039 3.566 1.00 9.04 2WRP 288 ATOM 191 CG ASP R 24 10.027 -5.284 2.264 1.00 10.37 2WRP 289 ATOM 192 OD1 ASP R 24 9.441 -5.520 1.198 1.00 11.65 2WRP 290 ATOM 193 OD2 ASP R 24 11.299 -5.215 2.410 1.00 12.91 2WRP 291 ATOM 194 N LEU R 25 6.646 -3.759 5.207 1.00 6.23 2WRP 292 ATOM 195 CA LEU R 25 5.745 -3.759 6.359 1.00 7.31 2WRP 293 ATOM 196 C LEU R 25 4.315 -4.005 5.842 1.00 6.77 2WRP 294 ATOM 197 O LEU R 25 3.590 -4.811 6.421 1.00 7.47 2WRP 295 ATOM 198 CB LEU R 25 5.861 -2.440 7.110 1.00 7.20 2WRP 296 ATOM 199 CG LEU R 25 4.937 -2.403 8.330 1.00 8.90 2WRP 297 ATOM 200 CD1 LEU R 25 5.485 -3.331 9.415 1.00 9.77 2WRP 298 ATOM 201 CD2 LEU R 25 5.017 -0.939 8.777 1.00 9.21 2WRP 299 ATOM 202 N LEU R 26 3.989 -3.279 4.770 1.00 7.21 2WRP 300 ATOM 203 CA LEU R 26 2.618 -3.420 4.211 1.00 7.23 2WRP 301 ATOM 204 C LEU R 26 2.412 -4.808 3.659 1.00 6.96 2WRP 302 ATOM 205 O LEU R 26 1.335 -5.408 3.765 1.00 6.74 2WRP 303 ATOM 206 CB LEU R 26 2.403 -2.269 3.214 1.00 7.41 2WRP 304 ATOM 207 CG LEU R 26 1.027 -2.305 2.537 1.00 8.58 2WRP 305 ATOM 208 CD1 LEU R 26 -0.101 -2.270 3.569 1.00 8.34 2WRP 306 ATOM 209 CD2 LEU R 26 0.928 -1.127 1.565 1.00 8.85 2WRP 307 ATOM 210 N LYS R 27 3.434 -5.367 3.010 1.00 6.84 2WRP 308 ATOM 211 CA LYS R 27 3.374 -6.734 2.474 1.00 7.87 2WRP 309 ATOM 212 C LYS R 27 2.945 -7.700 3.587 1.00 8.43 2WRP 310 ATOM 213 O LYS R 27 2.039 -8.519 3.430 1.00 8.44 2WRP 311 ATOM 214 CB LYS R 27 4.756 -7.160 1.937 1.00 8.58 2WRP 312 ATOM 215 CG LYS R 27 4.731 -8.560 1.341 1.00 10.22 2WRP 313 ATOM 216 CD LYS R 27 6.055 -9.042 0.771 1.00 11.83 2WRP 314 ATOM 217 CE LYS R 27 6.822 -8.037 -0.041 1.00 12.97 2WRP 315 ATOM 218 NZ LYS R 27 8.215 -8.613 -0.264 1.00 14.02 2WRP 316 ATOM 219 N ASN R 28 3.621 -7.578 4.737 1.00 8.64 2WRP 317 ATOM 220 CA ASN R 28 3.358 -8.460 5.903 1.00 9.61 2WRP 318 ATOM 221 C ASN R 28 1.993 -8.157 6.516 1.00 9.10 2WRP 319 ATOM 222 O ASN R 28 1.370 -9.155 6.954 1.00 9.66 2WRP 320 ATOM 223 CB ASN R 28 4.532 -8.344 6.867 1.00 12.63 2WRP 321 ATOM 224 CG ASN R 28 5.690 -9.081 6.176 1.00 15.95 2WRP 322 ATOM 225 OD1 ASN R 28 6.808 -8.574 6.060 1.00 18.90 2WRP 323 ATOM 226 ND2 ASN R 28 5.422 -10.301 5.750 1.00 17.81 2WRP 324 ATOM 227 N ALA R 29 1.579 -6.934 6.474 1.00 8.10 2WRP 325 ATOM 228 CA ALA R 29 0.250 -6.578 7.014 1.00 7.78 2WRP 326 ATOM 229 C ALA R 29 -0.802 -7.324 6.169 1.00 8.41 2WRP 327 ATOM 230 O ALA R 29 -1.747 -7.882 6.777 1.00 8.41 2WRP 328 ATOM 231 CB ALA R 29 0.080 -5.067 7.009 1.00 7.23 2WRP 329 ATOM 232 N TYR R 30 -0.635 -7.306 4.850 1.00 7.86 2WRP 330 ATOM 233 CA TYR R 30 -1.643 -8.014 4.022 1.00 9.53 2WRP 331 ATOM 234 C TYR R 30 -1.687 -9.501 4.403 1.00 10.92 2WRP 332 ATOM 235 O TYR R 30 -2.790 -10.081 4.474 1.00 11.37 2WRP 333 ATOM 236 CB TYR R 30 -1.358 -7.860 2.521 1.00 9.45 2WRP 334 ATOM 237 CG TYR R 30 -1.951 -6.611 1.890 1.00 9.08 2WRP 335 ATOM 238 CD1 TYR R 30 -3.324 -6.521 1.575 1.00 9.07 2WRP 336 ATOM 239 CD2 TYR R 30 -1.149 -5.535 1.516 1.00 9.09 2WRP 337 ATOM 240 CE1 TYR R 30 -3.830 -5.393 0.947 1.00 8.99 2WRP 338 ATOM 241 CE2 TYR R 30 -1.659 -4.399 0.914 1.00 9.21 2WRP 339 ATOM 242 CZ TYR R 30 -3.029 -4.325 0.629 1.00 9.32 2WRP 340 ATOM 243 OH TYR R 30 -3.469 -3.201 -0.003 1.00 9.46 2WRP 341 ATOM 244 N GLN R 31 -0.528 -10.084 4.615 1.00 12.02 2WRP 342 ATOM 245 CA GLN R 31 -0.433 -11.506 4.981 1.00 14.30 2WRP 343 ATOM 246 C GLN R 31 -1.154 -11.794 6.296 1.00 14.40 2WRP 344 ATOM 247 O GLN R 31 -1.621 -12.943 6.488 1.00 15.30 2WRP 345 ATOM 248 CB GLN R 31 1.054 -11.913 5.063 1.00 16.18 2WRP 346 ATOM 249 CG GLN R 31 1.624 -11.867 3.648 1.00 19.24 2WRP 347 ATOM 250 CD GLN R 31 3.102 -12.000 3.469 1.00 21.78 2WRP 348 ATOM 251 OE1 GLN R 31 3.594 -11.951 2.310 1.00 23.95 2WRP 349 ATOM 252 NE2 GLN R 31 3.839 -12.173 4.543 1.00 22.99 2WRP 350 ATOM 253 N ASN R 32 -1.261 -10.827 7.191 1.00 13.11 2WRP 351 ATOM 254 CA ASN R 32 -1.906 -11.027 8.491 1.00 13.37 2WRP 352 ATOM 255 C ASN R 32 -3.275 -10.386 8.601 1.00 12.89 2WRP 353 ATOM 256 O ASN R 32 -3.852 -10.323 9.715 1.00 12.54 2WRP 354 ATOM 257 CB ASN R 32 -0.913 -10.525 9.563 1.00 14.83 2WRP 355 ATOM 258 CG ASN R 32 0.264 -11.474 9.717 1.00 16.43 2WRP 356 ATOM 259 OD1 ASN R 32 0.093 -12.630 10.201 1.00 17.75 2WRP 357 ATOM 260 ND2 ASN R 32 1.442 -11.069 9.239 1.00 17.29 2WRP 358 ATOM 261 N ASP R 33 -3.806 -9.889 7.487 1.00 12.04 2WRP 359 ATOM 262 CA ASP R 33 -5.123 -9.251 7.496 1.00 12.78 2WRP 360 ATOM 263 C ASP R 33 -5.173 -8.008 8.361 1.00 11.56 2WRP 361 ATOM 264 O ASP R 33 -6.225 -7.635 8.908 1.00 11.59 2WRP 362 ATOM 265 CB ASP R 33 -6.208 -10.288 7.864 1.00 15.37 2WRP 363 ATOM 266 CG ASP R 33 -6.892 -10.861 6.649 1.00 18.39 2WRP 364 ATOM 267 OD1 ASP R 33 -7.955 -11.517 6.815 1.00 20.39 2WRP 365 ATOM 268 OD2 ASP R 33 -6.447 -10.664 5.483 1.00 19.69 2WRP 366 ATOM 269 N LEU R 34 -4.030 -7.336 8.444 1.00 9.22 2WRP 367 ATOM 270 CA LEU R 34 -3.964 -6.070 9.180 1.00 9.03 2WRP 368 ATOM 271 C LEU R 34 -3.740 -4.914 8.205 1.00 7.90 2WRP 369 ATOM 272 O LEU R 34 -3.443 -3.812 8.683 1.00 7.99 2WRP 370 ATOM 273 CB LEU R 34 -2.826 -6.137 10.232 1.00 9.16 2WRP 371 ATOM 274 CG LEU R 34 -3.126 -7.039 11.416 1.00 10.10 2WRP 372 ATOM 275 CD1 LEU R 34 -1.867 -7.289 12.247 1.00 10.47 2WRP 373 ATOM 276 CD2 LEU R 34 -4.164 -6.385 12.342 1.00 10.75 2WRP 374 ATOM 277 N HIS R 35 -3.904 -5.150 6.905 1.00 7.87 2WRP 375 ATOM 278 CA HIS R 35 -3.689 -4.022 5.956 1.00 7.95 2WRP 376 ATOM 279 C HIS R 35 -4.640 -2.861 6.178 1.00 8.64 2WRP 377 ATOM 280 O HIS R 35 -4.138 -1.749 6.036 1.00 7.69 2WRP 378 ATOM 281 CB HIS R 35 -3.830 -4.547 4.505 1.00 8.45 2WRP 379 ATOM 282 CG HIS R 35 -4.979 -5.486 4.333 1.00 8.71 2WRP 380 ATOM 283 ND1 HIS R 35 -6.095 -5.223 3.558 1.00 9.70 2WRP 381 ATOM 284 CD2 HIS R 35 -5.143 -6.748 4.788 1.00 7.95 2WRP 382 ATOM 285 CE1 HIS R 35 -6.910 -6.286 3.600 1.00 8.32 2WRP 383 ATOM 286 NE2 HIS R 35 -6.332 -7.228 4.311 1.00 10.51 2WRP 384 ATOM 287 N LEU R 36 -5.932 -3.048 6.435 1.00 8.83 2WRP 385 ATOM 288 CA LEU R 36 -6.838 -1.889 6.606 1.00 10.65 2WRP 386 ATOM 289 C LEU R 36 -6.429 -0.998 7.777 1.00 9.71 2WRP 387 ATOM 290 O LEU R 36 -6.223 0.200 7.520 1.00 9.45 2WRP 388 ATOM 291 CB LEU R 36 -8.303 -2.333 6.617 1.00 13.16 2WRP 389 ATOM 292 CG LEU R 36 -9.195 -2.057 5.417 1.00 15.23 2WRP 390 ATOM 293 CD1 LEU R 36 -9.108 -0.657 4.864 1.00 16.33 2WRP 391 ATOM 294 CD2 LEU R 36 -8.731 -3.044 4.337 1.00 16.41 2WRP 392 ATOM 295 N PRO R 37 -6.234 -1.539 8.977 1.00 9.21 2WRP 393 ATOM 296 CA PRO R 37 -5.802 -0.699 10.095 1.00 8.98 2WRP 394 ATOM 297 C PRO R 37 -4.446 -0.084 9.807 1.00 8.11 2WRP 395 ATOM 298 O PRO R 37 -4.243 1.098 10.158 1.00 8.35 2WRP 396 ATOM 299 CB PRO R 37 -5.803 -1.603 11.319 1.00 9.80 2WRP 397 ATOM 300 CG PRO R 37 -6.343 -2.904 10.883 1.00 10.62 2WRP 398 ATOM 301 CD PRO R 37 -6.480 -2.924 9.360 1.00 9.46 2WRP 399 ATOM 302 N LEU R 38 -3.530 -0.830 9.156 1.00 7.53 2WRP 400 ATOM 303 CA LEU R 38 -2.225 -0.185 8.885 1.00 7.15 2WRP 401 ATOM 304 C LEU R 38 -2.336 1.012 7.960 1.00 7.25 2WRP 402 ATOM 305 O LEU R 38 -1.721 2.082 8.150 1.00 6.87 2WRP 403 ATOM 306 CB LEU R 38 -1.196 -1.219 8.347 1.00 7.36 2WRP 404 ATOM 307 CG LEU R 38 0.174 -0.567 8.138 1.00 8.00 2WRP 405 ATOM 308 CD1 LEU R 38 0.763 -0.079 9.433 1.00 9.24 2WRP 406 ATOM 309 CD2 LEU R 38 1.056 -1.641 7.482 1.00 9.75 2WRP 407 ATOM 310 N LEU R 39 -3.160 0.851 6.886 1.00 7.09 2WRP 408 ATOM 311 CA LEU R 39 -3.334 1.974 5.929 1.00 7.83 2WRP 409 ATOM 312 C LEU R 39 -4.063 3.136 6.569 1.00 8.16 2WRP 410 ATOM 313 O LEU R 39 -3.808 4.296 6.223 1.00 9.24 2WRP 411 ATOM 314 CB LEU R 39 -4.011 1.434 4.658 1.00 7.96 2WRP 412 ATOM 315 CG LEU R 39 -3.168 0.488 3.787 1.00 9.11 2WRP 413 ATOM 316 CD1 LEU R 39 -4.019 -0.192 2.737 1.00 10.88 2WRP 414 ATOM 317 CD2 LEU R 39 -2.088 1.316 3.097 1.00 10.25 2WRP 415 ATOM 318 N ASN R 40 -4.980 2.852 7.525 1.00 9.26 2WRP 416 ATOM 319 CA ASN R 40 -5.705 3.934 8.184 1.00 9.94 2WRP 417 ATOM 320 C ASN R 40 -4.707 4.688 9.091 1.00 10.05 2WRP 418 ATOM 321 O ASN R 40 -4.850 5.920 9.238 1.00 10.00 2WRP 419 ATOM 322 CB ASN R 40 -6.930 3.397 8.897 1.00 11.99 2WRP 420 ATOM 323 CG ASN R 40 -8.093 3.070 7.957 1.00 14.20 2WRP 421 ATOM 324 OD1 ASN R 40 -8.914 2.205 8.371 1.00 16.95 2WRP 422 ATOM 325 ND2 ASN R 40 -8.200 3.673 6.797 1.00 14.23 2WRP 423 ATOM 326 N LEU R 41 -3.745 3.938 9.633 1.00 8.64 2WRP 424 ATOM 327 CA LEU R 41 -2.751 4.589 10.488 1.00 9.20 2WRP 425 ATOM 328 C LEU R 41 -1.774 5.429 9.691 1.00 8.03 2WRP 426 ATOM 329 O LEU R 41 -1.465 6.561 10.057 1.00 8.70 2WRP 427 ATOM 330 CB LEU R 41 -1.974 3.498 11.260 1.00 9.77 2WRP 428 ATOM 331 CG LEU R 41 -0.796 3.965 12.089 1.00 11.08 2WRP 429 ATOM 332 CD1 LEU R 41 -1.265 4.774 13.300 1.00 12.42 2WRP 430 ATOM 333 CD2 LEU R 41 -0.098 2.699 12.633 1.00 11.92 2WRP 431 ATOM 334 N MET R 42 -1.269 4.859 8.597 1.00 8.31 2WRP 432 ATOM 335 CA MET R 42 -0.223 5.457 7.785 1.00 10.08 2WRP 433 ATOM 336 C MET R 42 -0.605 6.567 6.832 1.00 9.72 2WRP 434 ATOM 337 O MET R 42 0.293 7.360 6.497 1.00 10.30 2WRP 435 ATOM 338 CB MET R 42 0.603 4.373 7.062 1.00 11.15 2WRP 436 ATOM 339 CG MET R 42 1.231 3.364 7.984 1.00 13.62 2WRP 437 ATOM 340 SD MET R 42 2.515 4.134 9.100 1.00 17.40 2WRP 438 ATOM 341 CE MET R 42 3.422 4.988 7.849 1.00 17.81 2WRP 439 ATOM 342 N LEU R 43 -1.860 6.610 6.384 1.00 9.64 2WRP 440 ATOM 343 CA LEU R 43 -2.239 7.679 5.439 1.00 9.19 2WRP 441 ATOM 344 C LEU R 43 -3.247 8.644 6.057 1.00 9.58 2WRP 442 ATOM 345 O LEU R 43 -3.984 8.278 6.973 1.00 9.95 2WRP 443 ATOM 346 CB LEU R 43 -2.931 6.944 4.255 1.00 10.25 2WRP 444 ATOM 347 CG LEU R 43 -1.994 6.079 3.393 1.00 10.85 2WRP 445 ATOM 348 CD1 LEU R 43 -2.837 5.258 2.398 1.00 11.40 2WRP 446 ATOM 349 CD2 LEU R 43 -1.004 6.985 2.681 1.00 11.67 2WRP 447 ATOM 350 N THR R 44 -3.316 9.841 5.510 1.00 10.83 2WRP 448 ATOM 351 CA THR R 44 -4.340 10.802 5.999 1.00 11.58 2WRP 449 ATOM 352 C THR R 44 -5.615 10.549 5.187 1.00 12.02 2WRP 450 ATOM 353 O THR R 44 -5.575 9.942 4.117 1.00 11.73 2WRP 451 ATOM 354 CB THR R 44 -3.871 12.273 5.707 1.00 12.29 2WRP 452 ATOM 355 OG1 THR R 44 -3.768 12.366 4.229 1.00 12.44 2WRP 453 ATOM 356 CG2 THR R 44 -2.515 12.616 6.302 1.00 12.98 2WRP 454 ATOM 357 N PRO R 45 -6.761 11.027 5.669 1.00 12.81 2WRP 455 ATOM 358 CA PRO R 45 -8.022 10.880 4.948 1.00 12.77 2WRP 456 ATOM 359 C PRO R 45 -7.878 11.443 3.523 1.00 12.39 2WRP 457 ATOM 360 O PRO R 45 -8.378 10.816 2.565 1.00 11.99 2WRP 458 ATOM 361 CB PRO R 45 -9.023 11.715 5.793 1.00 13.18 2WRP 459 ATOM 362 CG PRO R 45 -8.429 11.608 7.159 1.00 13.78 2WRP 460 ATOM 363 CD PRO R 45 -6.906 11.731 6.977 1.00 13.21 2WRP 461 ATOM 364 N ASP R 46 -7.224 12.594 3.362 1.00 13.11 2WRP 462 ATOM 365 CA ASP R 46 -7.055 13.192 2.019 1.00 14.57 2WRP 463 ATOM 366 C ASP R 46 -6.222 12.321 1.079 1.00 13.45 2WRP 464 ATOM 367 O ASP R 46 -6.479 12.311 -0.139 1.00 12.65 2WRP 465 ATOM 368 CB ASP R 46 -6.516 14.618 2.004 1.00 17.30 2WRP 466 ATOM 369 CG ASP R 46 -7.488 15.648 2.521 1.00 20.26 2WRP 467 ATOM 370 OD1 ASP R 46 -8.643 15.414 2.895 1.00 21.86 2WRP 468 ATOM 371 OD2 ASP R 46 -7.044 16.827 2.546 1.00 22.95 2WRP 469 ATOM 372 N GLU R 47 -5.244 11.641 1.633 1.00 11.94 2WRP 470 ATOM 373 CA GLU R 47 -4.388 10.764 0.795 1.00 11.16 2WRP 471 ATOM 374 C GLU R 47 -5.205 9.567 0.349 1.00 10.73 2WRP 472 ATOM 375 O GLU R 47 -5.108 9.075 -0.795 1.00 10.03 2WRP 473 ATOM 376 CB GLU R 47 -3.137 10.373 1.557 1.00 11.74 2WRP 474 ATOM 377 CG GLU R 47 -2.077 11.494 1.677 1.00 12.02 2WRP 475 ATOM 378 CD GLU R 47 -1.112 11.284 2.821 1.00 13.09 2WRP 476 ATOM 379 OE1 GLU R 47 -1.217 10.311 3.542 1.00 12.99 2WRP 477 ATOM 380 OE2 GLU R 47 -0.237 12.200 2.934 1.00 14.61 2WRP 478 ATOM 381 N ARG R 48 -6.014 9.026 1.269 1.00 10.46 2WRP 479 ATOM 382 CA ARG R 48 -6.869 7.866 0.912 1.00 10.35 2WRP 480 ATOM 383 C ARG R 48 -7.846 8.272 -0.206 1.00 10.84 2WRP 481 ATOM 384 O ARG R 48 -7.995 7.506 -1.179 1.00 10.76 2WRP 482 ATOM 385 CB ARG R 48 -7.580 7.251 2.109 1.00 11.58 2WRP 483 ATOM 386 CG ARG R 48 -6.591 6.732 3.168 1.00 12.44 2WRP 484 ATOM 387 CD ARG R 48 -7.319 5.866 4.160 1.00 13.91 2WRP 485 ATOM 388 NE ARG R 48 -8.219 6.649 5.013 1.00 15.22 2WRP 486 ATOM 389 CZ ARG R 48 -7.809 7.191 6.166 1.00 16.09 2WRP 487 ATOM 390 NH1 ARG R 48 -6.537 7.070 6.564 1.00 16.81 2WRP 488 ATOM 391 NH2 ARG R 48 -8.681 7.808 6.973 1.00 16.13 2WRP 489 ATOM 392 N GLU R 49 -8.473 9.426 -0.121 1.00 11.00 2WRP 490 ATOM 393 CA GLU R 49 -9.371 9.937 -1.148 1.00 11.47 2WRP 491 ATOM 394 C GLU R 49 -8.607 10.093 -2.469 1.00 10.73 2WRP 492 ATOM 395 O GLU R 49 -9.132 9.636 -3.524 1.00 10.13 2WRP 493 ATOM 396 CB GLU R 49 -9.894 11.325 -0.765 1.00 14.23 2WRP 494 ATOM 397 CG GLU R 49 -11.050 11.796 -1.680 1.00 17.75 2WRP 495 ATOM 398 CD GLU R 49 -11.847 12.914 -1.037 1.00 20.21 2WRP 496 ATOM 399 OE1 GLU R 49 -12.063 12.981 0.148 1.00 22.36 2WRP 497 ATOM 400 OE2 GLU R 49 -12.239 13.713 -1.915 1.00 23.10 2WRP 498 ATOM 401 N ALA R 50 -7.418 10.679 -2.411 1.00 9.33 2WRP 499 ATOM 402 CA ALA R 50 -6.608 10.861 -3.636 1.00 9.39 2WRP 500 ATOM 403 C ALA R 50 -6.316 9.519 -4.294 1.00 9.28 2WRP 501 ATOM 404 O ALA R 50 -6.433 9.380 -5.527 1.00 9.83 2WRP 502 ATOM 405 CB ALA R 50 -5.273 11.571 -3.351 1.00 10.00 2WRP 503 ATOM 406 N LEU R 51 -5.939 8.494 -3.518 1.00 8.33 2WRP 504 ATOM 407 CA LEU R 51 -5.641 7.186 -4.122 1.00 8.77 2WRP 505 ATOM 408 C LEU R 51 -6.880 6.572 -4.786 1.00 8.74 2WRP 506 ATOM 409 O LEU R 51 -6.731 5.960 -5.845 1.00 9.13 2WRP 507 ATOM 410 CB LEU R 51 -4.965 6.281 -3.099 1.00 10.03 2WRP 508 ATOM 411 CG LEU R 51 -3.532 6.675 -2.750 1.00 11.03 2WRP 509 ATOM 412 CD1 LEU R 51 -3.116 5.885 -1.492 1.00 11.24 2WRP 510 ATOM 413 CD2 LEU R 51 -2.572 6.300 -3.892 1.00 11.31 2WRP 511 ATOM 414 N GLY R 52 -8.039 6.734 -4.153 1.00 8.82 2WRP 512 ATOM 415 CA GLY R 52 -9.264 6.182 -4.769 1.00 9.12 2WRP 513 ATOM 416 C GLY R 52 -9.496 6.884 -6.117 1.00 9.44 2WRP 514 ATOM 417 O GLY R 52 -9.887 6.201 -7.097 1.00 10.13 2WRP 515 ATOM 418 N THR R 53 -9.272 8.180 -6.175 1.00 9.66 2WRP 516 ATOM 419 CA THR R 53 -9.466 8.951 -7.435 1.00 10.72 2WRP 517 ATOM 420 C THR R 53 -8.466 8.567 -8.505 1.00 9.97 2WRP 518 ATOM 421 O THR R 53 -8.792 8.426 -9.699 1.00 9.90 2WRP 519 ATOM 422 CB THR R 53 -9.419 10.495 -7.169 1.00 11.83 2WRP 520 ATOM 423 OG1 THR R 53 -10.566 10.701 -6.271 1.00 13.55 2WRP 521 ATOM 424 CG2 THR R 53 -9.545 11.313 -8.461 1.00 12.62 2WRP 522 ATOM 425 N ARG R 54 -7.219 8.352 -8.047 1.00 8.94 2WRP 523 ATOM 426 CA ARG R 54 -6.149 7.957 -9.003 1.00 8.53 2WRP 524 ATOM 427 C ARG R 54 -6.476 6.633 -9.664 1.00 8.15 2WRP 525 ATOM 428 O ARG R 54 -6.165 6.465 -10.869 1.00 7.75 2WRP 526 ATOM 429 CB ARG R 54 -4.752 7.940 -8.350 1.00 8.42 2WRP 527 ATOM 430 CG ARG R 54 -4.308 9.379 -7.971 1.00 8.38 2WRP 528 ATOM 431 CD ARG R 54 -2.949 9.331 -7.275 1.00 9.23 2WRP 529 ATOM 432 NE ARG R 54 -2.622 10.658 -6.722 1.00 9.82 2WRP 530 ATOM 433 CZ ARG R 54 -1.689 10.864 -5.793 1.00 10.31 2WRP 531 ATOM 434 NH1 ARG R 54 -0.918 9.866 -5.337 1.00 10.22 2WRP 532 ATOM 435 NH2 ARG R 54 -1.520 12.075 -5.223 1.00 11.06 2WRP 533 ATOM 436 N VAL R 55 -7.038 5.660 -8.941 1.00 8.57 2WRP 534 ATOM 437 CA VAL R 55 -7.392 4.393 -9.589 1.00 10.02 2WRP 535 ATOM 438 C VAL R 55 -8.420 4.635 -10.719 1.00 9.81 2WRP 536 ATOM 439 O VAL R 55 -8.273 4.036 -11.796 1.00 9.30 2WRP 537 ATOM 440 CB VAL R 55 -7.954 3.392 -8.552 1.00 11.14 2WRP 538 ATOM 441 CG1 VAL R 55 -8.458 2.166 -9.284 1.00 12.38 2WRP 539 ATOM 442 CG2 VAL R 55 -6.820 3.056 -7.595 1.00 11.77 2WRP 540 ATOM 443 N ARG R 56 -9.384 5.486 -10.425 1.00 10.74 2WRP 541 ATOM 444 CA ARG R 56 -10.406 5.822 -11.448 1.00 12.90 2WRP 542 ATOM 445 C ARG R 56 -9.758 6.450 -12.692 1.00 11.55 2WRP 543 ATOM 446 O ARG R 56 -10.079 6.135 -13.843 1.00 9.95 2WRP 544 ATOM 447 CB ARG R 56 -11.468 6.740 -10.868 1.00 17.19 2WRP 545 ATOM 448 CG ARG R 56 -12.485 6.090 -9.954 1.00 19.96 2WRP 546 ATOM 449 CD ARG R 56 -13.564 5.304 -10.599 1.00 22.93 2WRP 547 ATOM 450 NE ARG R 56 -14.510 6.009 -11.432 1.00 25.48 2WRP 548 ATOM 451 CZ ARG R 56 -15.338 7.022 -11.204 1.00 27.01 2WRP 549 ATOM 452 NH1 ARG R 56 -15.492 7.694 -10.057 1.00 27.99 2WRP 550 ATOM 453 NH2 ARG R 56 -16.137 7.441 -12.199 1.00 27.65 2WRP 551 ATOM 454 N ILE R 57 -8.847 7.389 -12.453 1.00 9.54 2WRP 552 ATOM 455 CA ILE R 57 -8.159 8.030 -13.593 1.00 8.84 2WRP 553 ATOM 456 C ILE R 57 -7.427 6.968 -14.395 1.00 8.93 2WRP 554 ATOM 457 O ILE R 57 -7.542 6.936 -15.629 1.00 9.14 2WRP 555 ATOM 458 CB ILE R 57 -7.220 9.174 -13.071 1.00 8.73 2WRP 556 ATOM 459 CG1 ILE R 57 -8.061 10.291 -12.399 1.00 9.35 2WRP 557 ATOM 460 CG2 ILE R 57 -6.259 9.689 -14.191 1.00 9.22 2WRP 558 ATOM 461 CD1 ILE R 57 -7.208 11.328 -11.577 1.00 10.05 2WRP 559 ATOM 462 N VAL R 58 -6.602 6.109 -13.741 1.00 8.58 2WRP 560 ATOM 463 CA VAL R 58 -5.877 5.094 -14.499 1.00 9.51 2WRP 561 ATOM 464 C VAL R 58 -6.847 4.208 -15.297 1.00 9.29 2WRP 562 ATOM 465 O VAL R 58 -6.588 3.862 -16.451 1.00 9.96 2WRP 563 ATOM 466 CB VAL R 58 -4.982 4.319 -13.489 1.00 9.90 2WRP 564 ATOM 467 CG1 VAL R 58 -4.373 3.081 -14.118 1.00 10.63 2WRP 565 ATOM 468 CG2 VAL R 58 -3.941 5.280 -12.914 1.00 10.72 2WRP 566 ATOM 469 N GLU R 59 -7.926 3.773 -14.674 1.00 10.09 2WRP 567 ATOM 470 CA GLU R 59 -8.908 2.926 -15.376 1.00 11.74 2WRP 568 ATOM 471 C GLU R 59 -9.432 3.625 -16.629 1.00 11.19 2WRP 569 ATOM 472 O GLU R 59 -9.432 3.040 -17.723 1.00 10.95 2WRP 570 ATOM 473 CB GLU R 59 -10.105 2.698 -14.456 1.00 14.25 2WRP 571 ATOM 474 CG GLU R 59 -11.164 1.830 -15.164 1.00 17.85 2WRP 572 ATOM 475 CD GLU R 59 -12.216 1.521 -14.121 1.00 20.86 2WRP 573 ATOM 476 OE1 GLU R 59 -12.172 0.540 -13.430 1.00 23.40 2WRP 574 ATOM 477 OE2 GLU R 59 -13.050 2.423 -14.065 1.00 23.21 2WRP 575 ATOM 478 N GLU R 60 -9.832 4.878 -16.503 1.00 10.99 2WRP 576 ATOM 479 CA GLU R 60 -10.371 5.623 -17.682 1.00 11.52 2WRP 577 ATOM 480 C GLU R 60 -9.307 5.896 -18.720 1.00 11.96 2WRP 578 ATOM 481 O GLU R 60 -9.580 5.928 -19.960 1.00 11.89 2WRP 579 ATOM 482 CB GLU R 60 -11.073 6.883 -17.228 1.00 12.11 2WRP 580 ATOM 483 CG GLU R 60 -12.340 6.698 -16.373 1.00 12.86 2WRP 581 ATOM 484 CD GLU R 60 -13.464 5.950 -17.055 1.00 14.24 2WRP 582 ATOM 485 OE1 GLU R 60 -13.478 5.774 -18.256 1.00 14.93 2WRP 583 ATOM 486 OE2 GLU R 60 -14.335 5.534 -16.283 1.00 14.86 2WRP 584 ATOM 487 N LEU R 61 -8.076 6.131 -18.313 1.00 11.81 2WRP 585 ATOM 488 CA LEU R 61 -6.996 6.337 -19.305 1.00 12.61 2WRP 586 ATOM 489 C LEU R 61 -6.756 5.031 -20.060 1.00 13.48 2WRP 587 ATOM 490 O LEU R 61 -6.510 5.126 -21.289 1.00 14.01 2WRP 588 ATOM 491 CB LEU R 61 -5.711 6.816 -18.596 1.00 12.54 2WRP 589 ATOM 492 CG LEU R 61 -5.756 8.238 -18.065 1.00 12.36 2WRP 590 ATOM 493 CD1 LEU R 61 -4.444 8.515 -17.324 1.00 13.89 2WRP 591 ATOM 494 CD2 LEU R 61 -5.902 9.265 -19.175 1.00 13.25 2WRP 592 ATOM 495 N LEU R 62 -6.798 3.886 -19.401 1.00 13.55 2WRP 593 ATOM 496 CA LEU R 62 -6.549 2.608 -20.101 1.00 13.94 2WRP 594 ATOM 497 C LEU R 62 -7.686 2.258 -21.058 1.00 15.10 2WRP 595 ATOM 498 O LEU R 62 -7.404 1.714 -22.131 1.00 15.61 2WRP 596 ATOM 499 CB LEU R 62 -6.357 1.453 -19.088 1.00 14.57 2WRP 597 ATOM 500 CG LEU R 62 -5.022 1.568 -18.362 1.00 15.05 2WRP 598 ATOM 501 CD1 LEU R 62 -4.957 0.545 -17.212 1.00 15.43 2WRP 599 ATOM 502 CD2 LEU R 62 -3.876 1.291 -19.323 1.00 15.27 2WRP 600 ATOM 503 N ARG R 63 -8.856 2.636 -20.599 1.00 15.25 2WRP 601 ATOM 504 CA ARG R 63 -10.071 2.357 -21.377 1.00 16.73 2WRP 602 ATOM 505 C ARG R 63 -10.084 3.159 -22.678 1.00 16.34 2WRP 603 ATOM 506 O ARG R 63 -10.412 2.537 -23.723 1.00 17.69 2WRP 604 ATOM 507 CB ARG R 63 -11.325 2.562 -20.527 1.00 16.98 2WRP 605 ATOM 508 CG ARG R 63 -12.557 2.439 -21.425 1.00 17.69 2WRP 606 ATOM 509 CD ARG R 63 -13.807 2.563 -20.618 1.00 19.03 2WRP 607 ATOM 510 NE ARG R 63 -13.924 1.395 -19.740 1.00 19.56 2WRP 608 ATOM 511 CZ ARG R 63 -13.862 1.605 -18.413 1.00 19.79 2WRP 609 ATOM 512 NH1 ARG R 63 -13.695 2.828 -17.955 1.00 20.06 2WRP 610 ATOM 513 NH2 ARG R 63 -14.006 0.581 -17.585 1.00 20.48 2WRP 611 ATOM 514 N GLY R 64 -9.731 4.411 -22.625 1.00 15.48 2WRP 612 ATOM 515 CA GLY R 64 -9.709 5.260 -23.824 1.00 15.97 2WRP 613 ATOM 516 C GLY R 64 -11.054 5.679 -24.366 1.00 15.84 2WRP 614 ATOM 517 O GLY R 64 -11.130 6.037 -25.568 1.00 16.18 2WRP 615 ATOM 518 N GLU R 65 -12.118 5.659 -23.591 1.00 15.33 2WRP 616 ATOM 519 CA GLU R 65 -13.453 6.083 -24.059 1.00 15.15 2WRP 617 ATOM 520 C GLU R 65 -13.589 7.595 -23.930 1.00 15.88 2WRP 618 ATOM 521 O GLU R 65 -14.130 8.273 -24.829 1.00 15.84 2WRP 619 ATOM 522 CB GLU R 65 -14.568 5.403 -23.284 1.00 15.06 2WRP 620 ATOM 523 CG GLU R 65 -15.990 5.956 -23.308 1.00 14.97 2WRP 621 ATOM 524 CD GLU R 65 -16.655 6.077 -24.654 1.00 15.13 2WRP 622 ATOM 525 OE1 GLU R 65 -17.708 6.665 -24.809 1.00 14.62 2WRP 623 ATOM 526 OE2 GLU R 65 -16.007 5.532 -25.588 1.00 15.56 2WRP 624 ATOM 527 N MET R 66 -13.129 8.119 -22.795 1.00 16.25 2WRP 625 ATOM 528 CA MET R 66 -13.175 9.534 -22.464 1.00 18.35 2WRP 626 ATOM 529 C MET R 66 -11.892 10.290 -22.838 1.00 18.31 2WRP 627 ATOM 530 O MET R 66 -10.774 9.758 -22.693 1.00 18.24 2WRP 628 ATOM 531 CB MET R 66 -13.391 9.758 -20.961 1.00 20.17 2WRP 629 ATOM 532 CG MET R 66 -14.730 9.276 -20.469 1.00 22.95 2WRP 630 ATOM 533 SD MET R 66 -14.809 9.717 -18.680 1.00 26.40 2WRP 631 ATOM 534 CE MET R 66 -16.093 8.610 -18.124 1.00 26.35 2WRP 632 ATOM 535 N SER R 67 -12.120 11.530 -23.270 1.00 18.21 2WRP 633 ATOM 536 CA SER R 67 -10.946 12.385 -23.617 1.00 18.20 2WRP 634 ATOM 537 C SER R 67 -10.447 12.876 -22.262 1.00 18.03 2WRP 635 ATOM 538 O SER R 67 -11.161 12.754 -21.251 1.00 17.41 2WRP 636 ATOM 539 CB SER R 67 -11.379 13.518 -24.526 1.00 18.36 2WRP 637 ATOM 540 OG SER R 67 -12.154 14.455 -23.802 1.00 17.81 2WRP 638 ATOM 541 N GLN R 68 -9.233 13.403 -22.203 1.00 18.85 2WRP 639 ATOM 542 CA GLN R 68 -8.693 13.901 -20.925 1.00 19.36 2WRP 640 ATOM 543 C GLN R 68 -9.552 15.048 -20.422 1.00 19.74 2WRP 641 ATOM 544 O GLN R 68 -9.813 15.187 -19.221 1.00 19.19 2WRP 642 ATOM 545 CB GLN R 68 -7.193 14.214 -21.042 1.00 20.10 2WRP 643 ATOM 546 CG GLN R 68 -6.400 12.941 -21.235 1.00 21.01 2WRP 644 ATOM 547 CD GLN R 68 -4.898 13.037 -21.064 1.00 21.76 2WRP 645 ATOM 548 OE1 GLN R 68 -4.201 12.044 -21.338 1.00 22.93 2WRP 646 ATOM 549 NE2 GLN R 68 -4.459 14.206 -20.630 1.00 21.54 2WRP 647 ATOM 550 N ARG R 69 -10.057 15.891 -21.332 1.00 20.65 2WRP 648 ATOM 551 CA ARG R 69 -10.905 17.022 -20.867 1.00 21.60 2WRP 649 ATOM 552 C ARG R 69 -12.242 16.542 -20.332 1.00 21.25 2WRP 650 ATOM 553 O ARG R 69 -12.769 17.070 -19.332 1.00 21.29 2WRP 651 ATOM 554 CB ARG R 69 -10.983 18.129 -21.883 1.00 22.37 2WRP 652 ATOM 555 CG ARG R 69 -11.899 17.926 -23.056 1.00 23.28 2WRP 653 ATOM 556 CD ARG R 69 -11.741 19.109 -23.974 1.00 24.12 2WRP 654 ATOM 557 NE ARG R 69 -12.319 18.901 -25.276 1.00 24.76 2WRP 655 ATOM 558 CZ ARG R 69 -11.938 18.024 -26.202 1.00 25.11 2WRP 656 ATOM 559 NH1 ARG R 69 -12.585 17.947 -27.356 1.00 25.47 2WRP 657 ATOM 560 NH2 ARG R 69 -10.915 17.195 -25.976 1.00 25.56 2WRP 658 ATOM 561 N GLU R 70 -12.765 15.494 -20.954 1.00 21.86 2WRP 659 ATOM 562 CA GLU R 70 -14.024 14.887 -20.487 1.00 21.99 2WRP 660 ATOM 563 C GLU R 70 -13.823 14.302 -19.097 1.00 21.24 2WRP 661 ATOM 564 O GLU R 70 -14.685 14.352 -18.207 1.00 20.65 2WRP 662 ATOM 565 CB GLU R 70 -14.509 13.830 -21.480 1.00 22.99 2WRP 663 ATOM 566 CG GLU R 70 -15.679 12.985 -20.972 1.00 25.10 2WRP 664 ATOM 567 CD GLU R 70 -16.372 12.190 -22.045 1.00 26.25 2WRP 665 ATOM 568 OE1 GLU R 70 -17.509 11.755 -21.924 1.00 27.03 2WRP 666 ATOM 569 OE2 GLU R 70 -15.614 12.058 -23.050 1.00 27.11 2WRP 667 ATOM 570 N LEU R 71 -12.649 13.705 -18.848 1.00 20.76 2WRP 668 ATOM 571 CA LEU R 71 -12.332 13.124 -17.530 1.00 21.37 2WRP 669 ATOM 572 C LEU R 71 -12.306 14.175 -16.433 1.00 21.28 2WRP 670 ATOM 573 O LEU R 71 -12.738 13.975 -15.285 1.00 20.69 2WRP 671 ATOM 574 CB LEU R 71 -10.983 12.419 -17.659 1.00 21.71 2WRP 672 ATOM 575 CG LEU R 71 -10.875 10.922 -17.579 1.00 22.56 2WRP 673 ATOM 576 CD1 LEU R 71 -9.407 10.577 -17.294 1.00 22.40 2WRP 674 ATOM 577 CD2 LEU R 71 -11.768 10.401 -16.443 1.00 22.49 2WRP 675 ATOM 578 N LYS R 72 -11.747 15.326 -16.778 1.00 22.16 2WRP 676 ATOM 579 CA LYS R 72 -11.662 16.441 -15.829 1.00 23.13 2WRP 677 ATOM 580 C LYS R 72 -13.089 16.844 -15.446 1.00 24.00 2WRP 678 ATOM 581 O LYS R 72 -13.403 17.002 -14.271 1.00 23.63 2WRP 679 ATOM 582 CB LYS R 72 -10.934 17.683 -16.336 1.00 24.06 2WRP 680 ATOM 583 CG LYS R 72 -11.310 18.944 -15.517 1.00 25.08 2WRP 681 ATOM 584 CD LYS R 72 -10.625 20.138 -16.154 1.00 25.74 2WRP 682 ATOM 585 CE LYS R 72 -10.945 21.454 -15.484 1.00 26.43 2WRP 683 ATOM 586 NZ LYS R 72 -12.140 22.094 -16.081 1.00 26.99 2WRP 684 ATOM 587 N ASN R 73 -13.920 16.992 -16.470 1.00 24.79 2WRP 685 ATOM 588 CA ASN R 73 -15.332 17.386 -16.236 1.00 26.08 2WRP 686 ATOM 589 C ASN R 73 -16.094 16.325 -15.454 1.00 26.03 2WRP 687 ATOM 590 O ASN R 73 -16.851 16.671 -14.533 1.00 26.63 2WRP 688 ATOM 591 CB ASN R 73 -15.966 17.769 -17.572 1.00 26.94 2WRP 689 ATOM 592 CG ASN R 73 -15.448 19.106 -18.083 1.00 27.67 2WRP 690 ATOM 593 OD1 ASN R 73 -15.491 20.085 -17.308 1.00 29.09 2WRP 691 ATOM 594 ND2 ASN R 73 -14.993 19.173 -19.333 1.00 27.78 2WRP 692 ATOM 595 N GLU R 74 -15.880 15.064 -15.752 1.00 25.78 2WRP 693 ATOM 596 CA GLU R 74 -16.547 13.947 -15.091 1.00 26.12 2WRP 694 ATOM 597 C GLU R 74 -16.142 13.640 -13.665 1.00 26.37 2WRP 695 ATOM 598 O GLU R 74 -17.059 13.416 -12.836 1.00 26.53 2WRP 696 ATOM 599 CB GLU R 74 -16.348 12.686 -15.945 1.00 26.03 2WRP 697 ATOM 604 N LEU R 75 -14.856 13.582 -13.374 1.00 26.36 2WRP 698 ATOM 605 CA LEU R 75 -14.381 13.262 -12.034 1.00 27.07 2WRP 699 ATOM 606 C LEU R 75 -14.030 14.415 -11.106 1.00 27.04 2WRP 700 ATOM 607 O LEU R 75 -13.705 14.083 -9.948 1.00 27.65 2WRP 701 ATOM 608 CB LEU R 75 -13.109 12.391 -12.128 1.00 27.52 2WRP 702 ATOM 609 CG LEU R 75 -12.988 11.313 -13.164 1.00 28.21 2WRP 703 ATOM 610 CD1 LEU R 75 -11.698 10.519 -12.932 1.00 28.38 2WRP 704 ATOM 611 CD2 LEU R 75 -14.169 10.343 -13.154 1.00 28.50 2WRP 705 ATOM 612 N GLY R 76 -13.996 15.623 -11.594 1.00 26.94 2WRP 706 ATOM 613 CA GLY R 76 -13.625 16.782 -10.785 1.00 26.64 2WRP 707 ATOM 614 C GLY R 76 -12.123 16.978 -10.676 1.00 26.35 2WRP 708 ATOM 615 O GLY R 76 -11.700 18.017 -10.125 1.00 27.54 2WRP 709 ATOM 616 N ALA R 77 -11.311 16.086 -11.195 1.00 25.21 2WRP 710 ATOM 617 CA ALA R 77 -9.846 16.183 -11.134 1.00 24.25 2WRP 711 ATOM 618 C ALA R 77 -9.307 17.230 -12.108 1.00 23.43 2WRP 712 ATOM 619 O ALA R 77 -9.766 17.288 -13.258 1.00 23.77 2WRP 713 ATOM 620 CB ALA R 77 -9.269 14.811 -11.463 1.00 24.19 2WRP 714 ATOM 621 N GLY R 78 -8.341 18.026 -11.672 1.00 22.00 2WRP 715 ATOM 622 CA GLY R 78 -7.779 19.059 -12.574 1.00 20.11 2WRP 716 ATOM 623 C GLY R 78 -6.928 18.387 -13.641 1.00 19.03 2WRP 717 ATOM 624 O GLY R 78 -6.462 17.236 -13.525 1.00 18.23 2WRP 718 ATOM 625 N ILE R 79 -6.686 19.163 -14.697 1.00 18.22 2WRP 719 ATOM 626 CA ILE R 79 -5.867 18.693 -15.818 1.00 17.98 2WRP 720 ATOM 627 C ILE R 79 -4.459 18.326 -15.352 1.00 17.29 2WRP 721 ATOM 628 O ILE R 79 -3.908 17.338 -15.836 1.00 17.35 2WRP 722 ATOM 629 CB ILE R 79 -5.795 19.760 -16.974 1.00 18.85 2WRP 723 ATOM 630 CG1 ILE R 79 -7.229 19.882 -17.540 1.00 19.50 2WRP 724 ATOM 631 CG2 ILE R 79 -4.700 19.399 -18.004 1.00 18.82 2WRP 725 ATOM 632 CD1 ILE R 79 -7.790 18.539 -18.076 1.00 20.11 2WRP 726 ATOM 633 N ALA R 80 -3.897 19.112 -14.454 1.00 16.34 2WRP 727 ATOM 634 CA ALA R 80 -2.539 18.823 -13.947 1.00 15.79 2WRP 728 ATOM 635 C ALA R 80 -2.478 17.406 -13.380 1.00 15.58 2WRP 729 ATOM 636 O ALA R 80 -1.515 16.675 -13.614 1.00 15.05 2WRP 730 ATOM 637 CB ALA R 80 -2.121 19.885 -12.948 1.00 16.03 2WRP 731 ATOM 638 N THR R 81 -3.512 17.027 -12.646 1.00 15.31 2WRP 732 ATOM 639 CA THR R 81 -3.601 15.714 -11.994 1.00 15.46 2WRP 733 ATOM 640 C THR R 81 -3.681 14.596 -13.033 1.00 15.08 2WRP 734 ATOM 641 O THR R 81 -2.975 13.577 -12.941 1.00 14.77 2WRP 735 ATOM 642 CB THR R 81 -4.843 15.688 -11.008 1.00 16.08 2WRP 736 ATOM 643 OG1 THR R 81 -4.510 16.618 -9.923 1.00 18.04 2WRP 737 ATOM 644 CG2 THR R 81 -5.194 14.278 -10.557 1.00 16.28 2WRP 738 ATOM 645 N ILE R 82 -4.564 14.843 -13.997 1.00 14.66 2WRP 739 ATOM 646 CA ILE R 82 -4.729 13.844 -15.061 1.00 14.40 2WRP 740 ATOM 647 C ILE R 82 -3.459 13.627 -15.869 1.00 14.60 2WRP 741 ATOM 648 O ILE R 82 -3.113 12.513 -16.285 1.00 14.53 2WRP 742 ATOM 649 CB ILE R 82 -5.990 14.218 -15.927 1.00 15.03 2WRP 743 ATOM 650 CG1 ILE R 82 -7.250 14.087 -15.029 1.00 15.13 2WRP 744 ATOM 651 CG2 ILE R 82 -6.101 13.304 -17.163 1.00 15.18 2WRP 745 ATOM 652 CD1 ILE R 82 -8.477 14.924 -15.458 1.00 15.93 2WRP 746 ATOM 653 N THR R 83 -2.740 14.728 -16.107 1.00 14.73 2WRP 747 ATOM 654 CA THR R 83 -1.485 14.709 -16.862 1.00 15.70 2WRP 748 ATOM 655 C THR R 83 -0.406 13.906 -16.132 1.00 15.18 2WRP 749 ATOM 656 O THR R 83 0.284 13.148 -16.828 1.00 15.91 2WRP 750 ATOM 657 CB THR R 83 -0.980 16.171 -17.219 1.00 16.25 2WRP 751 ATOM 658 OG1 THR R 83 -2.070 16.710 -18.036 1.00 17.57 2WRP 752 ATOM 659 CG2 THR R 83 0.325 16.070 -18.018 1.00 17.31 2WRP 753 ATOM 660 N ARG R 84 -0.330 14.099 -14.816 1.00 15.52 2WRP 754 ATOM 661 CA ARG R 84 0.647 13.335 -14.018 1.00 16.20 2WRP 755 ATOM 662 C ARG R 84 0.354 11.843 -14.194 1.00 15.45 2WRP 756 ATOM 663 O ARG R 84 1.238 10.992 -14.400 1.00 15.22 2WRP 757 ATOM 664 CB ARG R 84 0.628 13.683 -12.518 1.00 18.50 2WRP 758 ATOM 665 CG ARG R 84 1.144 15.086 -12.197 1.00 20.62 2WRP 759 ATOM 666 CD ARG R 84 1.246 15.295 -10.707 1.00 22.74 2WRP 760 ATOM 667 NE ARG R 84 2.501 14.737 -10.255 1.00 24.55 2WRP 761 ATOM 668 CZ ARG R 84 3.247 14.904 -9.176 1.00 25.30 2WRP 762 ATOM 669 NH1 ARG R 84 2.937 15.711 -8.157 1.00 26.04 2WRP 763 ATOM 670 NH2 ARG R 84 4.405 14.229 -9.144 1.00 25.16 2WRP 764 ATOM 671 N GLY R 85 -0.925 11.497 -14.133 1.00 14.63 2WRP 765 ATOM 672 CA GLY R 85 -1.372 10.103 -14.303 1.00 14.02 2WRP 766 ATOM 673 C GLY R 85 -0.952 9.526 -15.659 1.00 13.83 2WRP 767 ATOM 674 O GLY R 85 -0.431 8.411 -15.773 1.00 13.39 2WRP 768 ATOM 675 N SER R 86 -1.274 10.291 -16.693 1.00 14.44 2WRP 769 ATOM 676 CA SER R 86 -0.990 9.911 -18.091 1.00 15.43 2WRP 770 ATOM 677 C SER R 86 0.507 9.682 -18.300 1.00 15.33 2WRP 771 ATOM 678 O SER R 86 0.932 8.661 -18.847 1.00 14.96 2WRP 772 ATOM 679 CB SER R 86 -1.645 10.981 -18.987 1.00 16.32 2WRP 773 ATOM 680 OG SER R 86 -1.395 10.608 -20.350 1.00 17.15 2WRP 774 ATOM 681 N ASN R 87 1.292 10.635 -17.796 1.00 15.78 2WRP 775 ATOM 682 CA ASN R 87 2.758 10.559 -17.909 1.00 15.99 2WRP 776 ATOM 683 C ASN R 87 3.308 9.373 -17.122 1.00 15.56 2WRP 777 ATOM 684 O ASN R 87 4.203 8.684 -17.633 1.00 15.48 2WRP 778 ATOM 685 CB ASN R 87 3.406 11.870 -17.494 1.00 17.38 2WRP 779 ATOM 686 CG ASN R 87 3.194 12.983 -18.497 1.00 18.65 2WRP 780 ATOM 687 OD1 ASN R 87 3.386 14.160 -18.187 1.00 20.40 2WRP 781 ATOM 688 ND2 ASN R 87 2.773 12.662 -19.706 1.00 19.54 2WRP 782 ATOM 689 N SER R 88 2.768 9.124 -15.931 1.00 14.61 2WRP 783 ATOM 690 CA SER R 88 3.265 7.983 -15.134 1.00 15.07 2WRP 784 ATOM 691 C SER R 88 2.888 6.663 -15.780 1.00 14.77 2WRP 785 ATOM 692 O SER R 88 3.652 5.677 -15.736 1.00 14.46 2WRP 786 ATOM 693 CB SER R 88 2.765 8.058 -13.688 1.00 15.77 2WRP 787 ATOM 694 OG SER R 88 3.222 9.295 -13.158 1.00 17.06 2WRP 788 ATOM 695 N LEU R 89 1.721 6.599 -16.397 1.00 15.28 2WRP 789 ATOM 696 CA LEU R 89 1.258 5.372 -17.070 1.00 16.71 2WRP 790 ATOM 697 C LEU R 89 2.178 5.098 -18.264 1.00 17.73 2WRP 791 ATOM 698 O LEU R 89 2.633 3.963 -18.437 1.00 17.55 2WRP 792 ATOM 699 CB LEU R 89 -0.248 5.488 -17.363 1.00 17.27 2WRP 793 ATOM 700 CG LEU R 89 -0.955 4.215 -17.815 1.00 18.42 2WRP 794 ATOM 701 CD1 LEU R 89 -0.939 3.130 -16.752 1.00 17.72 2WRP 795 ATOM 702 CD2 LEU R 89 -2.395 4.582 -18.172 1.00 18.18 2WRP 796 ATOM 703 N LYS R 90 2.484 6.151 -19.003 1.00 18.96 2WRP 797 ATOM 704 CA LYS R 90 3.361 5.982 -20.190 1.00 20.97 2WRP 798 ATOM 705 C LYS R 90 4.733 5.491 -19.797 1.00 20.63 2WRP 799 ATOM 706 O LYS R 90 5.365 4.752 -20.583 1.00 22.04 2WRP 800 ATOM 707 CB LYS R 90 3.402 7.271 -21.015 1.00 22.39 2WRP 801 ATOM 708 CG LYS R 90 2.092 7.469 -21.790 1.00 24.50 2WRP 802 ATOM 709 CD LYS R 90 2.119 8.746 -22.609 1.00 25.94 2WRP 803 ATOM 710 CE LYS R 90 0.748 9.162 -23.116 1.00 27.14 2WRP 804 ATOM 711 NZ LYS R 90 0.911 10.158 -24.235 1.00 28.19 2WRP 805 ATOM 712 N ALA R 91 5.241 5.843 -18.645 1.00 20.05 2WRP 806 ATOM 713 CA ALA R 91 6.534 5.476 -18.094 1.00 19.80 2WRP 807 ATOM 714 C ALA R 91 6.580 4.122 -17.412 1.00 19.20 2WRP 808 ATOM 715 O ALA R 91 7.665 3.623 -17.049 1.00 19.93 2WRP 809 ATOM 716 CB ALA R 91 6.884 6.521 -17.005 1.00 20.51 2WRP 810 ATOM 717 N ALA R 92 5.430 3.512 -17.138 1.00 17.56 2WRP 811 ATOM 718 CA ALA R 92 5.428 2.236 -16.413 1.00 16.06 2WRP 812 ATOM 719 C ALA R 92 5.880 1.046 -17.247 1.00 14.64 2WRP 813 ATOM 720 O ALA R 92 5.762 1.109 -18.480 1.00 15.76 2WRP 814 ATOM 721 CB ALA R 92 3.978 1.995 -15.919 1.00 16.43 2WRP 815 ATOM 722 N PRO R 93 6.329 0.016 -16.575 1.00 13.71 2WRP 816 ATOM 723 CA PRO R 93 6.734 -1.224 -17.251 1.00 13.21 2WRP 817 ATOM 724 C PRO R 93 5.534 -1.748 -18.032 1.00 13.16 2WRP 818 ATOM 725 O PRO R 93 4.375 -1.722 -17.533 1.00 12.98 2WRP 819 ATOM 726 CB PRO R 93 7.027 -2.247 -16.139 1.00 13.74 2WRP 820 ATOM 727 CG PRO R 93 7.304 -1.386 -14.948 1.00 13.60 2WRP 821 ATOM 728 CD PRO R 93 6.503 -0.114 -15.133 1.00 13.18 2WRP 822 ATOM 729 N VAL R 94 5.800 -2.238 -19.234 1.00 11.95 2WRP 823 ATOM 730 CA VAL R 94 4.698 -2.811 -20.053 1.00 13.49 2WRP 824 ATOM 731 C VAL R 94 3.935 -3.891 -19.306 1.00 13.12 2WRP 825 ATOM 732 O VAL R 94 2.679 -3.954 -19.402 1.00 13.19 2WRP 826 ATOM 733 CB VAL R 94 5.345 -3.293 -21.393 1.00 13.99 2WRP 827 ATOM 734 CG1 VAL R 94 4.420 -4.268 -22.104 1.00 15.02 2WRP 828 ATOM 735 CG2 VAL R 94 5.722 -2.074 -22.219 1.00 14.88 2WRP 829 ATOM 736 N GLU R 95 4.610 -4.748 -18.570 1.00 12.29 2WRP 830 ATOM 737 CA GLU R 95 3.983 -5.839 -17.824 1.00 13.10 2WRP 831 ATOM 738 C GLU R 95 2.974 -5.297 -16.786 1.00 12.02 2WRP 832 ATOM 739 O GLU R 95 1.990 -6.040 -16.576 1.00 12.75 2WRP 833 ATOM 740 CB GLU R 95 4.918 -6.769 -17.086 1.00 15.26 2WRP 834 ATOM 741 CG GLU R 95 5.877 -6.181 -16.091 1.00 17.91 2WRP 835 ATOM 742 CD GLU R 95 7.197 -5.739 -16.706 1.00 20.26 2WRP 836 ATOM 743 OE1 GLU R 95 7.353 -5.195 -17.806 1.00 21.38 2WRP 837 ATOM 744 OE2 GLU R 95 8.106 -6.037 -15.899 1.00 22.15 2WRP 838 ATOM 745 N LEU R 96 3.233 -4.135 -16.217 1.00 10.83 2WRP 839 ATOM 746 CA LEU R 96 2.291 -3.544 -15.242 1.00 9.85 2WRP 840 ATOM 747 C LEU R 96 1.076 -3.049 -16.034 1.00 9.90 2WRP 841 ATOM 748 O LEU R 96 -0.063 -3.295 -15.592 1.00 10.18 2WRP 842 ATOM 749 CB LEU R 96 2.920 -2.443 -14.371 1.00 9.79 2WRP 843 ATOM 750 CG LEU R 96 1.891 -1.725 -13.467 1.00 9.03 2WRP 844 ATOM 751 CD1 LEU R 96 1.511 -2.680 -12.323 1.00 9.63 2WRP 845 ATOM 752 CD2 LEU R 96 2.414 -0.388 -12.926 1.00 10.03 2WRP 846 ATOM 753 N ARG R 97 1.284 -2.361 -17.148 1.00 10.01 2WRP 847 ATOM 754 CA ARG R 97 0.155 -1.850 -17.965 1.00 11.60 2WRP 848 ATOM 755 C ARG R 97 -0.719 -3.025 -18.403 1.00 10.58 2WRP 849 ATOM 756 O ARG R 97 -1.960 -2.929 -18.357 1.00 10.01 2WRP 850 ATOM 757 CB ARG R 97 0.680 -1.096 -19.195 1.00 14.18 2WRP 851 ATOM 758 CG ARG R 97 -0.320 -0.162 -19.886 1.00 19.30 2WRP 852 ATOM 759 CD ARG R 97 0.290 0.950 -20.695 1.00 22.39 2WRP 853 ATOM 760 NE ARG R 97 1.468 1.550 -20.106 1.00 25.55 2WRP 854 ATOM 761 CZ ARG R 97 2.723 1.562 -20.579 1.00 26.99 2WRP 855 ATOM 762 NH1 ARG R 97 3.228 1.179 -21.751 1.00 27.93 2WRP 856 ATOM 763 NH2 ARG R 97 3.661 1.875 -19.669 1.00 27.72 2WRP 857 ATOM 764 N GLN R 98 -0.107 -4.094 -18.878 1.00 9.46 2WRP 858 ATOM 765 CA GLN R 98 -0.875 -5.262 -19.343 1.00 10.11 2WRP 859 ATOM 766 C GLN R 98 -1.712 -5.843 -18.207 1.00 9.22 2WRP 860 ATOM 767 O GLN R 98 -2.886 -6.192 -18.413 1.00 8.60 2WRP 861 ATOM 768 CB GLN R 98 0.011 -6.322 -20.001 1.00 11.55 2WRP 862 ATOM 769 CG GLN R 98 0.569 -5.737 -21.299 1.00 13.90 2WRP 863 ATOM 770 CD GLN R 98 1.661 -6.592 -21.889 1.00 15.63 2WRP 864 ATOM 771 OE1 GLN R 98 2.142 -6.275 -22.992 1.00 18.79 2WRP 865 ATOM 772 NE2 GLN R 98 2.114 -7.610 -21.225 1.00 16.47 2WRP 866 ATOM 773 N TRP R 99 -1.087 -5.946 -17.028 1.00 8.78 2WRP 867 ATOM 774 CA TRP R 99 -1.822 -6.485 -15.857 1.00 9.56 2WRP 868 ATOM 775 C TRP R 99 -2.992 -5.557 -15.475 1.00 9.39 2WRP 869 ATOM 776 O TRP R 99 -4.104 -6.087 -15.198 1.00 9.07 2WRP 870 ATOM 777 CB TRP R 99 -0.856 -6.668 -14.685 1.00 10.00 2WRP 871 ATOM 778 CG TRP R 99 -1.497 -7.247 -13.459 1.00 11.11 2WRP 872 ATOM 779 CD1 TRP R 99 -1.899 -8.528 -13.240 1.00 11.78 2WRP 873 ATOM 780 CD2 TRP R 99 -1.810 -6.508 -12.259 1.00 11.22 2WRP 874 ATOM 781 NE1 TRP R 99 -2.439 -8.639 -11.958 1.00 12.14 2WRP 875 ATOM 782 CE2 TRP R 99 -2.385 -7.420 -11.356 1.00 11.30 2WRP 876 ATOM 783 CE3 TRP R 99 -1.630 -5.186 -11.901 1.00 11.56 2WRP 877 ATOM 784 CZ2 TRP R 99 -2.781 -7.010 -10.099 1.00 11.85 2WRP 878 ATOM 785 CZ3 TRP R 99 -2.023 -4.751 -10.647 1.00 12.42 2WRP 879 ATOM 786 CH2 TRP R 99 -2.570 -5.682 -9.765 1.00 11.54 2WRP 880 ATOM 787 N LEU R 100 -2.756 -4.252 -15.474 1.00 8.99 2WRP 881 ATOM 788 CA LEU R 100 -3.842 -3.286 -15.128 1.00 9.13 2WRP 882 ATOM 789 C LEU R 100 -4.991 -3.458 -16.134 1.00 10.24 2WRP 883 ATOM 790 O LEU R 100 -6.162 -3.467 -15.716 1.00 10.77 2WRP 884 ATOM 791 CB LEU R 100 -3.270 -1.862 -15.112 1.00 8.24 2WRP 885 ATOM 792 CG LEU R 100 -2.394 -1.549 -13.879 1.00 9.16 2WRP 886 ATOM 793 CD1 LEU R 100 -1.810 -0.153 -14.044 1.00 9.34 2WRP 887 ATOM 794 CD2 LEU R 100 -3.185 -1.660 -12.584 1.00 10.83 2WRP 888 ATOM 795 N GLU R 101 -4.685 -3.614 -17.420 1.00 11.26 2WRP 889 ATOM 796 CA GLU R 101 -5.759 -3.797 -18.413 1.00 13.02 2WRP 890 ATOM 797 C GLU R 101 -6.564 -5.049 -18.071 1.00 14.04 2WRP 891 ATOM 798 O GLU R 101 -7.824 -5.051 -18.177 1.00 15.15 2WRP 892 ATOM 799 CB GLU R 101 -5.212 -3.938 -19.826 1.00 14.65 2WRP 893 ATOM 800 CG GLU R 101 -4.539 -2.650 -20.353 1.00 17.16 2WRP 894 ATOM 801 CD GLU R 101 -3.885 -2.766 -21.708 1.00 19.59 2WRP 895 ATOM 802 OE1 GLU R 101 -3.735 -1.766 -22.389 1.00 22.32 2WRP 896 ATOM 803 OE2 GLU R 101 -3.519 -3.881 -22.105 1.00 20.11 2WRP 897 ATOM 804 N GLU R 102 -5.897 -6.105 -17.648 1.00 13.63 2WRP 898 ATOM 805 CA GLU R 102 -6.557 -7.367 -17.300 1.00 14.94 2WRP 899 ATOM 806 C GLU R 102 -7.468 -7.260 -16.076 1.00 14.77 2WRP 900 ATOM 807 O GLU R 102 -8.573 -7.871 -16.054 1.00 15.60 2WRP 901 ATOM 808 CB GLU R 102 -5.554 -8.495 -17.044 1.00 16.73 2WRP 902 ATOM 809 CG GLU R 102 -4.582 -8.844 -18.179 1.00 19.84 2WRP 903 ATOM 810 CD GLU R 102 -3.507 -9.835 -17.817 1.00 21.54 2WRP 904 ATOM 811 OE1 GLU R 102 -3.172 -10.193 -16.701 1.00 23.08 2WRP 905 ATOM 812 OE2 GLU R 102 -2.910 -10.306 -18.807 1.00 23.56 2WRP 906 ATOM 813 N VAL R 103 -7.011 -6.535 -15.064 1.00 13.59 2WRP 907 ATOM 814 CA VAL R 103 -7.822 -6.426 -13.830 1.00 14.14 2WRP 908 ATOM 815 C VAL R 103 -8.765 -5.246 -13.806 1.00 14.39 2WRP 909 ATOM 816 O VAL R 103 -9.826 -5.426 -13.136 1.00 17.04 2WRP 910 ATOM 817 CB VAL R 103 -6.864 -6.492 -12.614 1.00 13.37 2WRP 911 ATOM 818 CG1 VAL R 103 -5.928 -7.690 -12.718 1.00 13.57 2WRP 912 ATOM 819 CG2 VAL R 103 -6.083 -5.201 -12.461 1.00 14.63 2WRP 913 ATOM 820 N LEU R 104 -8.495 -4.112 -14.365 1.00 14.19 2WRP 914 ATOM 821 CA LEU R 104 -9.375 -2.953 -14.307 1.00 15.26 2WRP 915 ATOM 822 C LEU R 104 -10.445 -2.878 -15.391 1.00 16.62 2WRP 916 ATOM 823 O LEU R 104 -11.459 -2.169 -15.107 1.00 17.65 2WRP 917 ATOM 824 CB LEU R 104 -8.525 -1.671 -14.288 1.00 15.24 2WRP 918 ATOM 825 CG LEU R 104 -7.625 -1.375 -13.103 1.00 15.20 2WRP 919 ATOM 826 CD1 LEU R 104 -6.905 -0.043 -13.281 1.00 15.29 2WRP 920 ATOM 827 CD2 LEU R 104 -8.401 -1.334 -11.788 1.00 15.37 2WRP 921 ATOM 828 N LEU R 105 -10.217 -3.497 -16.525 1.00 16.64 2WRP 922 ATOM 829 CA LEU R 105 -11.194 -3.450 -17.638 1.00 17.54 2WRP 923 ATOM 830 C LEU R 105 -12.015 -4.746 -17.588 1.00 18.80 2WRP 924 ATOM 831 O LEU R 105 -11.531 -5.812 -17.213 1.00 18.27 2WRP 925 ATOM 832 CB LEU R 105 -10.460 -3.247 -18.949 1.00 17.15 2WRP 926 ATOM 833 CG LEU R 105 -9.543 -2.024 -19.039 1.00 17.26 2WRP 927 ATOM 834 CD1 LEU R 105 -8.994 -1.929 -20.451 1.00 17.61 2WRP 928 ATOM 835 CD2 LEU R 105 -10.308 -0.763 -18.642 1.00 17.68 2WRP 929 ATOM 836 N LYS R 106 -13.282 -4.589 -17.978 1.00 20.11 2WRP 930 ATOM 837 CA LYS R 106 -14.192 -5.754 -17.966 1.00 22.72 2WRP 931 ATOM 838 C LYS R 106 -13.944 -6.531 -19.243 1.00 24.17 2WRP 932 ATOM 839 O LYS R 106 -13.604 -5.970 -20.299 1.00 24.17 2WRP 933 ATOM 840 CB LYS R 106 -15.638 -5.304 -17.813 1.00 23.60 2WRP 934 ATOM 841 CG LYS R 106 -15.802 -4.366 -16.591 1.00 25.26 2WRP 935 ATOM 842 CD LYS R 106 -15.835 -5.174 -15.297 1.00 26.24 2WRP 936 ATOM 843 CE LYS R 106 -16.522 -4.339 -14.223 1.00 27.34 2WRP 937 ATOM 844 NZ LYS R 106 -17.427 -5.172 -13.387 1.00 28.53 2WRP 938 ATOM 845 N SER R 107 -14.115 -7.825 -19.121 1.00 26.30 2WRP 939 ATOM 846 CA SER R 107 -13.896 -8.757 -20.242 1.00 28.61 2WRP 940 ATOM 847 C SER R 107 -14.796 -8.362 -21.402 1.00 29.66 2WRP 941 ATOM 848 O SER R 107 -15.964 -8.056 -21.076 1.00 30.35 2WRP 942 ATOM 849 CB SER R 107 -14.217 -10.148 -19.692 1.00 29.05 2WRP 943 ATOM 850 OG SER R 107 -14.100 -11.133 -20.691 1.00 29.99 2WRP 944 ATOM 851 N ASP R 108 -14.349 -8.322 -22.647 1.00 30.77 2WRP 945 ATOM 852 CA ASP R 108 -15.332 -7.968 -23.711 1.00 32.02 2WRP 946 ATOM 853 C ASP R 108 -14.764 -8.118 -25.123 1.00 32.39 2WRP 947 ATOM 854 O ASP R 108 -15.116 -7.219 -25.908 1.00 32.95 2WRP 948 ATOM 855 CB ASP R 108 -16.105 -6.682 -23.527 1.00 32.34 2WRP 949 ATOM 856 CG ASP R 108 -15.469 -5.476 -22.917 1.00 32.57 2WRP 950 ATOM 857 OD1 ASP R 108 -14.417 -5.014 -23.420 1.00 33.06 2WRP 951 ATOM 858 OD2 ASP R 108 -16.101 -5.026 -21.913 1.00 32.72 2WRP 952 ATOM 859 OXT ASP R 108 -14.084 -9.125 -25.350 1.00 33.10 2WRP 953 TER 860 ASP R 108 2WRP 954 ATOM 861 N TRP W 1 3.427 8.592 -9.864 1.00 11.13 2WRP 955 ATOM 862 CA TRP W 1 2.560 9.784 -10.038 1.00 12.92 2WRP 956 ATOM 863 C TRP W 1 3.411 11.061 -10.061 1.00 14.69 2WRP 957 ATOM 864 O TRP W 1 4.538 11.029 -9.527 1.00 15.97 2WRP 958 ATOM 865 CB TRP W 1 1.486 9.890 -8.946 1.00 12.35 2WRP 959 ATOM 866 CG TRP W 1 0.228 10.552 -9.411 1.00 12.75 2WRP 960 ATOM 867 CD1 TRP W 1 -0.143 11.856 -9.221 1.00 12.94 2WRP 961 ATOM 868 CD2 TRP W 1 -0.846 9.931 -10.143 1.00 11.81 2WRP 962 ATOM 869 NE1 TRP W 1 -1.366 12.102 -9.797 1.00 12.87 2WRP 963 ATOM 870 CE2 TRP W 1 -1.822 10.955 -10.376 1.00 12.35 2WRP 964 ATOM 871 CE3 TRP W 1 -1.044 8.657 -10.630 1.00 11.61 2WRP 965 ATOM 872 CZ2 TRP W 1 -3.001 10.672 -11.060 1.00 11.96 2WRP 966 ATOM 873 CZ3 TRP W 1 -2.230 8.375 -11.314 1.00 11.87 2WRP 967 ATOM 874 CH2 TRP W 1 -3.163 9.397 -11.526 1.00 11.17 2WRP 968 ATOM 875 OXT TRP W 1 2.930 12.023 -10.656 1.00 16.83 2WRP 969 TER 876 TRP W 1 2WRP 970 HETATM 877 NA NA 601 -12.209 6.238 -20.648 1.00 19.37 2WRP 971 HETATM 878 S SO4 602 -14.407 -1.983 -20.565 1.00 20.64 2WRP 972 HETATM 879 O1 SO4 602 -13.580 -3.160 -21.000 1.00 20.50 2WRP 973 HETATM 880 O2 SO4 602 -14.387 -1.902 -19.043 1.00 19.21 2WRP 974 HETATM 881 O3 SO4 602 -15.835 -2.235 -21.063 1.00 21.14 2WRP 975 HETATM 882 O4 SO4 602 -13.899 -0.746 -21.253 1.00 20.39 2WRP 976 HETATM 883 O HOH 201 -4.760 -11.044 -11.042 1.00 30.87 2WRP 977 HETATM 884 O HOH 202 -11.850 7.233 -1.833 1.00 20.16 2WRP 978 HETATM 885 O HOH 203 -8.088 13.847 -4.558 1.00 35.08 2WRP 979 HETATM 886 O HOH 204 1.564 -1.090 -22.591 1.00 53.17 2WRP 980 HETATM 887 O HOH 205 -7.714 -10.930 -14.441 1.00 19.63 2WRP 981 HETATM 888 O HOH 206 12.317 -7.817 0.909 1.00 23.74 2WRP 982 HETATM 889 O HOH 207 -7.888 1.663 5.012 1.00 46.31 2WRP 983 HETATM 890 O HOH 208 -7.476 -5.504 7.222 1.00 14.26 2WRP 984 HETATM 891 O HOH 209 -6.324 14.781 5.402 1.00 29.24 2WRP 985 HETATM 892 O HOH 210 19.800 14.487 -1.007 1.00 18.38 2WRP 986 HETATM 893 O HOH 211 18.379 16.554 -2.640 1.00 15.96 2WRP 987 HETATM 894 O HOH 212 15.701 9.805 -2.945 1.00 31.61 2WRP 988 HETATM 895 O HOH 213 14.502 -1.697 4.120 1.00 21.39 2WRP 989 HETATM 896 O HOH 214 12.746 -3.852 4.155 1.00 24.28 2WRP 990 HETATM 897 O HOH 215 9.492 -3.692 7.318 1.00 21.88 2WRP 991 HETATM 898 O HOH 216 11.031 3.531 7.093 1.00 17.21 2WRP 992 HETATM 899 O HOH 217 -1.293 -9.704 -0.808 1.00 21.87 2WRP 993 HETATM 900 O HOH 218 -3.300 -11.176 0.573 1.00 27.79 2WRP 994 HETATM 901 O HOH 219 -4.853 -9.914 2.600 1.00 23.01 2WRP 995 HETATM 902 O HOH 220 -5.544 2.181 12.474 1.00 16.44 2WRP 996 HETATM 903 O HOH 221 -5.251 4.782 13.340 1.00 19.89 2WRP 997 HETATM 904 O HOH 222 -8.444 1.297 11.914 1.00 21.73 2WRP 998 HETATM 905 O HOH 223 -5.539 7.839 11.909 1.00 32.55 2WRP 999 HETATM 906 O HOH 224 -6.734 8.621 9.354 1.00 22.10 2WRP1000 HETATM 907 O HOH 225 -11.996 8.764 -3.960 1.00 21.29 2WRP1001 HETATM 908 O HOH 226 -15.846 5.400 -19.589 1.00 26.76 2WRP1002 HETATM 909 O HOH 227 -7.058 17.968 -9.092 1.00 39.28 2WRP1003 HETATM 910 O HOH 228 -4.712 19.232 -10.879 1.00 37.79 2WRP1004 HETATM 911 O HOH 229 -4.921 21.850 -13.897 1.00 25.27 2WRP1005 HETATM 912 O HOH 230 -14.133 -1.720 -14.740 1.00 34.38 2WRP1006 HETATM 913 O HOH 231 -7.091 20.576 -8.687 1.00 42.78 2WRP1007 HETATM 914 O HOH 232 -10.620 -10.800 -18.796 1.00 49.98 2WRP1008 HETATM 915 O HOH 233 -10.464 -7.627 -18.301 1.00 35.72 2WRP1009 HETATM 916 O HOH 234 12.974 2.644 8.833 1.00 24.53 2WRP1010 HETATM 917 O HOH 235 17.555 -0.294 0.509 1.00 30.70 2WRP1011 HETATM 918 O HOH 236 -7.792 -5.156 13.516 1.00 41.59 2WRP1012 HETATM 919 O HOH 237 -8.323 -6.108 10.903 1.00 47.55 2WRP1013 HETATM 920 O HOH 238 -9.867 -4.829 9.473 1.00 27.11 2WRP1014 HETATM 921 O HOH 239 -9.141 8.029 -21.630 1.00 36.32 2WRP1015 HETATM 922 O HOH 240 -7.625 13.600 -24.822 1.00 27.32 2WRP1016 HETATM 923 O HOH 241 -16.315 9.821 -25.141 1.00 29.21 2WRP1017 HETATM 924 O HOH 242 19.574 1.597 0.638 1.00 27.59 2WRP1018 HETATM 925 O HOH 243 -4.028 13.240 -7.217 1.00 23.09 2WRP1019 HETATM 926 O HOH 244 -7.558 14.392 -1.721 1.00 26.56 2WRP1020 HETATM 927 O HOH 245 -11.516 14.832 1.869 1.00 53.17 2WRP1021 HETATM 928 O HOH 246 -15.462 2.730 -9.001 1.00 43.91 2WRP1022 HETATM 929 O HOH 247 -17.415 4.146 -6.806 1.00 32.62 2WRP1023 HETATM 930 O HOH 248 -15.488 1.191 -12.664 1.00 36.23 2WRP1024 HETATM 931 O HOH 249 -4.724 9.650 -22.628 1.00 48.44 2WRP1025 HETATM 932 O HOH 250 -8.007 1.766 -25.407 1.00 43.59 2WRP1026 HETATM 933 O HOH 251 -7.223 -2.403 -24.152 1.00 37.53 2WRP1027 HETATM 934 O HOH 252 -6.803 7.381 -22.670 1.00 30.33 2WRP1028 HETATM 935 O HOH 253 1.621 -8.766 -16.984 1.00 31.35 2WRP1029 HETATM 936 O HOH 254 -11.482 -7.606 -15.230 1.00 33.65 2WRP1030 HETATM 937 O HOH 255 3.027 -14.874 6.461 1.00 41.30 2WRP1031 HETATM 938 O HOH 256 -8.931 -9.126 3.776 1.00 36.41 2WRP1032 HETATM 939 O HOH 257 -9.181 -7.267 6.283 1.00 28.37 2WRP1033 HETATM 940 O HOH 258 -7.262 -10.806 2.157 1.00 36.80 2WRP1034 HETATM 941 O HOH 259 9.894 -8.896 2.346 1.00 33.05 2WRP1035 HETATM 942 O HOH 260 8.121 -6.282 7.628 1.00 34.59 2WRP1036 HETATM 943 O HOH 261 12.105 -4.474 6.640 1.00 42.13 2WRP1037 HETATM 944 O HOH 262 -7.097 -4.613 -23.213 1.00 31.62 2WRP1038 HETATM 945 O HOH 263 -9.138 -5.482 -22.180 1.00 44.79 2WRP1039 HETATM 946 O HOH 264 -13.007 -6.517 -23.850 1.00 48.93 2WRP1040 HETATM 947 O HOH 265 22.274 8.776 6.029 1.00 33.03 2WRP1041 HETATM 948 O HOH 266 10.180 0.822 -16.631 1.00 49.43 2WRP1042 HETATM 949 O HOH 267 9.191 3.189 -20.576 1.00 48.86 2WRP1043 HETATM 950 O HOH 268 9.739 2.153 -24.200 1.00 42.33 2WRP1044 HETATM 951 O HOH 269 -6.461 12.234 -7.272 1.00 34.29 2WRP1045 HETATM 952 O HOH 270 26.141 12.154 2.620 1.00 33.25 2WRP1046 HETATM 953 O HOH 271 19.723 7.720 -5.749 1.00 36.36 2WRP1047 HETATM 954 O HOH 272 -13.120 16.349 1.673 1.00 42.70 2WRP1048 HETATM 955 O HOH 273 -2.401 10.026 -1.777 1.00 34.36 2WRP1049 HETATM 956 O HOH 274 -14.276 15.152 -25.781 1.00 44.69 2WRP1050 HETATM 957 O HOH 275 -8.597 8.676 -25.967 1.00 35.44 2WRP1051 HETATM 958 O HOH 276 17.320 10.950 -3.407 1.00 40.55 2WRP1052 HETATM 959 O HOH 277 -9.878 12.662 -4.698 1.00 39.73 2WRP1053 HETATM 960 O HOH 278 6.237 9.928 -18.883 1.00 35.97 2WRP1054 HETATM 961 O HOH 401 3.300 16.937 -19.770 1.00 48.04 2WRP1055 HETATM 962 O HOH 402 -2.115 14.884 -8.284 1.00 23.35 2WRP1056 HETATM 963 O HOH 403 -3.087 14.710 -6.552 1.00 40.77 2WRP1057 HETATM 964 O HOH 404 -2.806 14.891 3.387 1.00 30.60 2WRP1058 HETATM 965 O HOH 405 -2.377 12.679 -1.773 1.00 35.02 2WRP1059 HETATM 966 O HOH 406 -1.448 17.818 -9.781 1.00 36.71 2WRP1060 HETATM 967 O HOH 407 13.534 -6.712 0.931 1.00 33.49 2WRP1061 MASTER 83 0 2 6 0 0 6 6 934 2 0 10 2WRPB 9 END 2WRP1063 .