HEADER OXIDO-REDUCTASE(ACYLTRANSFERASE) 25-NOV-92 2PDD 2PDD 2 COMPND DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2P) (E.C.2.3.1.12) 2PDD 3 COMPND 2 SUBUNIT OF THE PYRUVATE DEHYDROGENASE (PDH) MULTIENZYME 2PDD 4 COMPND 3 COMPLEX (PYRUVATE DECARBOXYLASE (E1P) (E.C.1.2.4.1)/ 2PDD 5 COMPND 4 DIHYDROLIPOAMIDE DEHYDROGENASE (E3) (E.C.1.8.1.4) 43 2PDD 6 COMPND 5 RESIDUE BINDING DOMAIN) (NMR, 35 STRUCTURES) 2PDD 7 SOURCE SYNTHETIC PEPTIDE BASED ON SEQUENCE FROM 2PDD 8 SOURCE 2 (BACILLUS STEAROTHERMOPHILUS) 2PDD 9 EXPDTA NMR 2PDD 10 AUTHOR Y.N.KALIA,S.M.BROCKLEHURST,D.S.HIPPS,E.APPELLA,K.SAKAGUCHI, 2PDDA 1 AUTHOR 2 R.N.PERHAM 2PDDA 2 REVDAT 2 08-MAR-95 2PDDA 1 AUTHOR 2PDDA 3 REVDAT 1 20-DEC-94 2PDD 0 2PDD 13 JRNL AUTH Y.N.KALIA,S.M.BROCKLEHURST,D.S.HIPPS,E.APPELLA, 2PDD 14 JRNL AUTH 2 K.SAKAGUCHI,R.N.PERHAM 2PDD 15 JRNL TITL THE HIGH RESOLUTION STRUCTURE OF THE PERIPHERAL 2PDD 16 JRNL TITL 2 SUBUNIT-BINDING DOMAIN OF DIHYDROLIPOAMIDE 2PDD 17 JRNL TITL 3 ACETYLTRANSFERASE FROM THE PYRUVATE DEHYDROGENASE 2PDD 18 JRNL TITL 4 MULTIENZYME COMPLEX OF BACILLUS 2PDD 19 JRNL TITL 5 STEAROTHERMOPHILUS 2PDD 20 JRNL REF J.MOL.BIOL. V. 230 323 1993 2PDD 21 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 0070 2PDD 22 REMARK 1 2PDD 23 REMARK 2 2PDD 24 REMARK 2 RESOLUTION. NOT APPLICABLE. SEE REMARK 4. 2PDD 25 REMARK 3 2PDD 26 REMARK 3 REFINEMENT. NONE. 2PDD 27 REMARK 4 2PDD 28 REMARK 4 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION 2PDD 29 REMARK 4 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT 2PDD 30 REMARK 4 *CRYST1* AND *SCALE* RECORDS BE INCLUDED, BUT THE VALUES ON 2PDD 31 REMARK 4 THESE RECORDS ARE MEANINGLESS. 2PDD 32 REMARK 5 2PDD 33 REMARK 5 THIS STRUCTURE PRESENTS THE PERIPHERAL SUBUNIT-BINDING 2PDD 34 REMARK 5 DOMAIN (RESIDUES ILE 129 - ALA 170) OF THE E2P CHAIN OF 2PDD 35 REMARK 5 BACILLUS STEAROTHERMOPHILUS PYRUVATE DEHYDROGENASE 2PDD 36 REMARK 5 MULTIENZYME COMPLEX (PDH). THE RMSD FROM THE MEAN 2PDD 37 REMARK 5 COORDINATES OF THE BACKBONE ATOMS FOR THE 35 SIMULATED 2PDD 38 REMARK 5 ANNEALING STRUCTURES IS 0.36 ANGSTROMS. THE RMSD FROM THE 2PDD 39 REMARK 5 MEAN COORDINATES FOR ALL NON-HYDROGEN ATOMS IS 0.96 2PDD 40 REMARK 5 ANGSTROMS. 2PDD 41 REMARK 6 2PDD 42 REMARK 6 TURN T4D IS (C-O)I TO (N-H)I+3 HBOND NEAR TYPE I. 2PDD 43 REMARK 7 2PDD 44 REMARK 7 THE 35 MODELS PRESENTED IN THIS ENTRY ARE NUMBERED 2PDD 45 REMARK 7 SEQUENTIALLY STARTING WITH 1. THEY WERE NUMBERED 2PDD 46 REMARK 7 DIFFERENTLY IN THE FILE THAT WAS SUBMITTED BY THE 2PDD 47 REMARK 7 DEPOSITORS, AS FOLLOWS: 2PDD 48 REMARK 7 2PDD 49 REMARK 7 SUBMITTED PDB ENTRY 2PDD 50 REMARK 7 FITFINAL_1 1 2PDD 51 REMARK 7 FITFINAL_10 2 2PDD 52 REMARK 7 FITFINAL_11 3 2PDD 53 REMARK 7 FITFINAL_12 4 2PDD 54 REMARK 7 FITFINAL_13 5 2PDD 55 REMARK 7 FITFINAL_14 6 2PDD 56 REMARK 7 FITFINAL_15 7 2PDD 57 REMARK 7 FITFINAL_16 8 2PDD 58 REMARK 7 FITFINAL_18 9 2PDD 59 REMARK 7 FITFINAL_19 10 2PDD 60 REMARK 7 FITFINAL_2 11 2PDD 61 REMARK 7 FITFINAL_20 12 2PDD 62 REMARK 7 FITFINAL_22 13 2PDD 63 REMARK 7 FITFINAL_23 14 2PDD 64 REMARK 7 FITFINAL_24 15 2PDD 65 REMARK 7 FITFINAL_25 16 2PDD 66 REMARK 7 FITFINAL_26 17 2PDD 67 REMARK 7 FITFINAL_28 18 2PDD 68 REMARK 7 FITFINAL_29 19 2PDD 69 REMARK 7 FITFINAL_3 20 2PDD 70 REMARK 7 FITFINAL_30 21 2PDD 71 REMARK 7 FITFINAL_31 22 2PDD 72 REMARK 7 FITFINAL_33 23 2PDD 73 REMARK 7 FITFINAL_34 24 2PDD 74 REMARK 7 FITFINAL_35 25 2PDD 75 REMARK 7 FITFINAL_36 26 2PDD 76 REMARK 7 FITFINAL_37 27 2PDD 77 REMARK 7 FITFINAL_38 28 2PDD 78 REMARK 7 FITFINAL_39 29 2PDD 79 REMARK 7 FITFINAL_4 30 2PDD 80 REMARK 7 FITFINAL_41 31 2PDD 81 REMARK 7 FITFINAL_5 32 2PDD 82 REMARK 7 FITFINAL_7 33 2PDD 83 REMARK 7 FITFINAL_8 34 2PDD 84 REMARK 7 FITFINAL_9 35 2PDD 85 REMARK 8 2PDD 86 REMARK 8 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; 2PDD 87 REMARK 8 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SEQ=SEQUENCE NUMBER; 2PDD 88 REMARK 8 I=INSERTION CODE): 2PDD 89 REMARK 8 M RES C SEQI ATOMS 2PDD 90 REMARK 8 1 ALA 43 O 2PDD 91 REMARK 8 2 ALA 43 O 2PDD 92 REMARK 8 3 ALA 43 O 2PDD 93 REMARK 8 4 ALA 43 O 2PDD 94 REMARK 8 5 ALA 43 O 2PDD 95 REMARK 8 6 ALA 43 O 2PDD 96 REMARK 8 7 ALA 43 O 2PDD 97 REMARK 8 8 ALA 43 O 2PDD 98 REMARK 8 9 ALA 43 O 2PDD 99 REMARK 8 10 ALA 43 O 2PDD 100 REMARK 8 11 ALA 43 O 2PDD 101 REMARK 8 12 ALA 43 O 2PDD 102 REMARK 8 13 ALA 43 O 2PDD 103 REMARK 8 14 ALA 43 O 2PDD 104 REMARK 8 15 ALA 43 O 2PDD 105 REMARK 8 16 ALA 43 O 2PDD 106 REMARK 8 17 ALA 43 O 2PDD 107 REMARK 8 18 ALA 43 O 2PDD 108 REMARK 8 19 ALA 43 O 2PDD 109 REMARK 8 20 ALA 43 O 2PDD 110 REMARK 8 21 ALA 43 O 2PDD 111 REMARK 8 22 ALA 43 O 2PDD 112 REMARK 8 23 ALA 43 O 2PDD 113 REMARK 8 24 ALA 43 O 2PDD 114 REMARK 8 25 ALA 43 O 2PDD 115 REMARK 8 26 ALA 43 O 2PDD 116 REMARK 8 27 ALA 43 O 2PDD 117 REMARK 8 28 ALA 43 O 2PDD 118 REMARK 8 29 ALA 43 O 2PDD 119 REMARK 8 30 ALA 43 O 2PDD 120 REMARK 8 31 ALA 43 O 2PDD 121 REMARK 8 32 ALA 43 O 2PDD 122 REMARK 8 33 ALA 43 O 2PDD 123 REMARK 8 34 ALA 43 O 2PDD 124 REMARK 8 35 ALA 43 O 2PDD 125 REMARK 9 2PDD 126 REMARK 9 PDB ADVISORY NOTICE. 2PDD 127 REMARK 9 THE STEREOCHEMISTRY OF VAL 1 IN THE FOLLOWING MODELS IS 2PDD 128 REMARK 9 IN ERROR (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN 2PDD 129 REMARK 9 IDENTIFIER; SEQ=SEQUENCE NUMBER; I=INSERTION CODE): 2PDD 130 REMARK 9 M RES C SEQI 2PDD 131 REMARK 9 13 VAL 1 2PDD 132 REMARK 9 15 VAL 1 2PDD 133 REMARK 9 17 VAL 1 2PDD 134 REMARK 9 18 VAL 1 2PDD 135 REMARK 9 19 VAL 1 2PDD 136 REMARK 9 22 VAL 1 2PDD 137 REMARK 9 23 VAL 1 2PDD 138 REMARK 9 25 VAL 1 2PDD 139 REMARK 9 29 VAL 1 2PDD 140 REMARK 10 2PDD 141 REMARK 10 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES 2PDD 142 REMARK 10 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE 2PDD 143 REMARK 10 THAN 4.0*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN 2PDD 144 REMARK 10 IDENTIFIER; SEQ=SEQUENCE NUMBER; I=INSERTION CODE). 2PDD 145 REMARK 10 2PDD 146 REMARK 10 COVALENT BOND LENGTHS: 2PDD 147 REMARK 10 M RES C SEQI ATM1 ATM2 (FROM ENGH AND HUBER, 1991) 2PDD 148 REMARK 10 13 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 149 REMARK 10 13 VAL 1 CA - C DIST. DEV. = 2.42 ANGSTROMS 2PDD 150 REMARK 10 13 VAL 1 CB - CG1 DIST. DEV. = 1.76 ANGSTROMS 2PDD 151 REMARK 10 13 VAL 1 CB - CG2 DIST. DEV. = 1.62 ANGSTROMS 2PDD 152 REMARK 10 13 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 153 REMARK 10 13 VAL 1 3HG2 - CG2 DIST. DEV. = 1.87 ANGSTROMS 2PDD 154 REMARK 10 14 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 155 REMARK 10 14 VAL 1 CA - C DIST. DEV. = 2.33 ANGSTROMS 2PDD 156 REMARK 10 14 VAL 1 CB - CG1 DIST. DEV. = 2.57 ANGSTROMS 2PDD 157 REMARK 10 14 VAL 1 CB - CG2 DIST. DEV. = 1.31 ANGSTROMS 2PDD 158 REMARK 10 14 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 159 REMARK 10 14 VAL 1 1HG2 - CG2 DIST. DEV. = 1.95 ANGSTROMS 2PDD 160 REMARK 10 14 VAL 1 3HG2 - CG2 DIST. DEV. = 1.44 ANGSTROMS 2PDD 161 REMARK 10 15 VAL 1 N - CA DIST. DEV. = 1.05 ANGSTROMS 2PDD 162 REMARK 10 15 VAL 1 CA - C DIST. DEV. = 1.16 ANGSTROMS 2PDD 163 REMARK 10 15 VAL 1 CB - CG1 DIST. DEV. = 2.85 ANGSTROMS 2PDD 164 REMARK 10 15 VAL 1 CB - CG2 DIST. DEV. = 0.98 ANGSTROMS 2PDD 165 REMARK 10 15 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 166 REMARK 10 15 VAL 1 1HG2 - CG2 DIST. DEV. = 1.88 ANGSTROMS 2PDD 167 REMARK 10 15 VAL 1 3HG2 - CG2 DIST. DEV. = 2.70 ANGSTROMS 2PDD 168 REMARK 10 16 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 169 REMARK 10 16 VAL 1 CA - C DIST. DEV. = 0.86 ANGSTROMS 2PDD 170 REMARK 10 16 VAL 1 CB - CG1 DIST. DEV. = 1.90 ANGSTROMS 2PDD 171 REMARK 10 16 VAL 1 CB - CG2 DIST. DEV. = 1.96 ANGSTROMS 2PDD 172 REMARK 10 16 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 173 REMARK 10 16 VAL 1 3HG2 - CG2 DIST. DEV. = 2.26 ANGSTROMS 2PDD 174 REMARK 10 17 VAL 1 N - CA DIST. DEV. = 1.05 ANGSTROMS 2PDD 175 REMARK 10 17 VAL 1 CA - C DIST. DEV. = 2.52 ANGSTROMS 2PDD 176 REMARK 10 17 VAL 1 CB - CG1 DIST. DEV. = 1.12 ANGSTROMS 2PDD 177 REMARK 10 17 VAL 1 CB - CG2 DIST. DEV. = 1.60 ANGSTROMS 2PDD 178 REMARK 10 17 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 179 REMARK 10 17 VAL 1 1HG2 - CG2 DIST. DEV. = 3.30 ANGSTROMS 2PDD 180 REMARK 10 17 VAL 1 3HG2 - CG2 DIST. DEV. = 1.53 ANGSTROMS 2PDD 181 REMARK 10 18 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 182 REMARK 10 18 VAL 1 CA - C DIST. DEV. = 2.31 ANGSTROMS 2PDD 183 REMARK 10 18 VAL 1 CB - CG1 DIST. DEV. = 2.90 ANGSTROMS 2PDD 184 REMARK 10 18 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 185 REMARK 10 18 VAL 1 1HG2 - CG2 DIST. DEV. = 2.21 ANGSTROMS 2PDD 186 REMARK 10 18 VAL 1 3HG2 - CG2 DIST. DEV. = 1.48 ANGSTROMS 2PDD 187 REMARK 10 19 VAL 1 N - CA DIST. DEV. = 1.05 ANGSTROMS 2PDD 188 REMARK 10 19 VAL 1 CA - C DIST. DEV. = 1.79 ANGSTROMS 2PDD 189 REMARK 10 19 VAL 1 CB - CG1 DIST. DEV. = 1.62 ANGSTROMS 2PDD 190 REMARK 10 19 VAL 1 CB - CG2 DIST. DEV. = 2.90 ANGSTROMS 2PDD 191 REMARK 10 19 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 192 REMARK 10 19 VAL 1 3HG2 - CG2 DIST. DEV. = 2.27 ANGSTROMS 2PDD 193 REMARK 10 21 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 194 REMARK 10 21 VAL 1 CA - C DIST. DEV. = 2.16 ANGSTROMS 2PDD 195 REMARK 10 21 VAL 1 CB - CG1 DIST. DEV. = 1.86 ANGSTROMS 2PDD 196 REMARK 10 21 VAL 1 CB - CG2 DIST. DEV. = 2.70 ANGSTROMS 2PDD 197 REMARK 10 21 VAL 1 2H - N DIST. DEV. = 0.46 ANGSTROMS 2PDD 198 REMARK 10 21 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 199 REMARK 10 21 VAL 1 3HG2 - CG2 DIST. DEV. = 1.39 ANGSTROMS 2PDD 200 REMARK 10 22 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 201 REMARK 10 22 VAL 1 CA - C DIST. DEV. = 2.35 ANGSTROMS 2PDD 202 REMARK 10 22 VAL 1 CB - CG1 DIST. DEV. = 1.50 ANGSTROMS 2PDD 203 REMARK 10 22 VAL 1 CB - CG2 DIST. DEV. = 2.18 ANGSTROMS 2PDD 204 REMARK 10 22 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 205 REMARK 10 22 VAL 1 3HG2 - CG2 DIST. DEV. = 1.96 ANGSTROMS 2PDD 206 REMARK 10 23 VAL 1 N - CA DIST. DEV. = 1.05 ANGSTROMS 2PDD 207 REMARK 10 23 VAL 1 CA - C DIST. DEV. = 0.93 ANGSTROMS 2PDD 208 REMARK 10 23 VAL 1 CB - CG1 DIST. DEV. = 1.64 ANGSTROMS 2PDD 209 REMARK 10 23 VAL 1 CB - CG2 DIST. DEV. = 0.92 ANGSTROMS 2PDD 210 REMARK 10 23 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 211 REMARK 10 23 VAL 1 1HG2 - CG2 DIST. DEV. = 2.69 ANGSTROMS 2PDD 212 REMARK 10 23 VAL 1 3HG2 - CG2 DIST. DEV. = 3.24 ANGSTROMS 2PDD 213 REMARK 10 24 VAL 1 N - CA DIST. DEV. = 1.10 ANGSTROMS 2PDD 214 REMARK 10 24 VAL 1 CA - C DIST. DEV. = 2.14 ANGSTROMS 2PDD 215 REMARK 10 24 VAL 1 CB - CG1 DIST. DEV. = 1.84 ANGSTROMS 2PDD 216 REMARK 10 24 VAL 1 CB - CG2 DIST. DEV. = 2.25 ANGSTROMS 2PDD 217 REMARK 10 24 VAL 1 2H - N DIST. DEV. = 0.47 ANGSTROMS 2PDD 218 REMARK 10 24 VAL 1 3H - N DIST. DEV. = 1.08 ANGSTROMS 2PDD 219 REMARK 10 24 VAL 1 3HG2 - CG2 DIST. DEV. = 1.42 ANGSTROMS 2PDD 220 REMARK 10 25 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 221 REMARK 10 25 VAL 1 CA - C DIST. DEV. = 2.99 ANGSTROMS 2PDD 222 REMARK 10 25 VAL 1 CB - CG1 DIST. DEV. = 1.64 ANGSTROMS 2PDD 223 REMARK 10 25 VAL 1 CB - CG2 DIST. DEV. = 1.37 ANGSTROMS 2PDD 224 REMARK 10 25 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 225 REMARK 10 25 VAL 1 1HG2 - CG2 DIST. DEV. = 3.28 ANGSTROMS 2PDD 226 REMARK 10 25 VAL 1 3HG2 - CG2 DIST. DEV. = 1.45 ANGSTROMS 2PDD 227 REMARK 10 26 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 228 REMARK 10 26 VAL 1 CA - C DIST. DEV. = 2.39 ANGSTROMS 2PDD 229 REMARK 10 26 VAL 1 CB - CG1 DIST. DEV. = 2.69 ANGSTROMS 2PDD 230 REMARK 10 26 VAL 1 CB - CG2 DIST. DEV. = 1.16 ANGSTROMS 2PDD 231 REMARK 10 26 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 232 REMARK 10 26 VAL 1 1HG2 - CG2 DIST. DEV. = 1.88 ANGSTROMS 2PDD 233 REMARK 10 26 VAL 1 3HG2 - CG2 DIST. DEV. = 1.34 ANGSTROMS 2PDD 234 REMARK 10 27 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 235 REMARK 10 27 VAL 1 CA - C DIST. DEV. = 2.13 ANGSTROMS 2PDD 236 REMARK 10 27 VAL 1 CB - CG1 DIST. DEV. = 2.43 ANGSTROMS 2PDD 237 REMARK 10 27 VAL 1 CB - CG2 DIST. DEV. = 1.62 ANGSTROMS 2PDD 238 REMARK 10 27 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 239 REMARK 10 27 VAL 1 1HG2 - CG2 DIST. DEV. = 2.25 ANGSTROMS 2PDD 240 REMARK 10 27 VAL 1 3HG2 - CG2 DIST. DEV. = 1.73 ANGSTROMS 2PDD 241 REMARK 10 28 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 242 REMARK 10 28 VAL 1 CA - C DIST. DEV. = 1.28 ANGSTROMS 2PDD 243 REMARK 10 28 VAL 1 CB - CG1 DIST. DEV. = 2.41 ANGSTROMS 2PDD 244 REMARK 10 28 VAL 1 CB - CG2 DIST. DEV. = 1.77 ANGSTROMS 2PDD 245 REMARK 10 28 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 246 REMARK 10 28 VAL 1 1HG2 - CG2 DIST. DEV. = 2.20 ANGSTROMS 2PDD 247 REMARK 10 28 VAL 1 3HG2 - CG2 DIST. DEV. = 2.58 ANGSTROMS 2PDD 248 REMARK 10 29 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 249 REMARK 10 29 VAL 1 CA - C DIST. DEV. = 1.98 ANGSTROMS 2PDD 250 REMARK 10 29 VAL 1 CB - CG1 DIST. DEV. = 2.71 ANGSTROMS 2PDD 251 REMARK 10 29 VAL 1 CB - CG2 DIST. DEV. = 1.14 ANGSTROMS 2PDD 252 REMARK 10 29 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 253 REMARK 10 29 VAL 1 1HG2 - CG2 DIST. DEV. = 1.94 ANGSTROMS 2PDD 254 REMARK 10 29 VAL 1 3HG2 - CG2 DIST. DEV. = 1.97 ANGSTROMS 2PDD 255 REMARK 10 31 VAL 1 N - CA DIST. DEV. = 1.04 ANGSTROMS 2PDD 256 REMARK 10 31 VAL 1 CA - C DIST. DEV. = 1.71 ANGSTROMS 2PDD 257 REMARK 10 31 VAL 1 CB - CG1 DIST. DEV. = 2.68 ANGSTROMS 2PDD 258 REMARK 10 31 VAL 1 CB - CG2 DIST. DEV. = 1.10 ANGSTROMS 2PDD 259 REMARK 10 31 VAL 1 3H - N DIST. DEV. = 1.07 ANGSTROMS 2PDD 260 REMARK 10 31 VAL 1 1HG2 - CG2 DIST. DEV. = 1.74 ANGSTROMS 2PDD 261 REMARK 10 31 VAL 1 3HG2 - CG2 DIST. DEV. = 2.20 ANGSTROMS 2PDD 262 REMARK 10 2PDD 263 REMARK 10 COVALENT BOND ANGLES: 2PDD 264 REMARK 10 M RES C SEQI ATM1 ATM2 ATM3 (FROM ENGH AND HUBER,1991) 2PDD 265 REMARK 10 13 VAL 1 N - CA - C ANGL. DEV. = 83.8 DEGREES 2PDD 266 REMARK 10 13 VAL 1 CA - CB - CG1 ANGL. DEV. = 74.2 DEGREES 2PDD 267 REMARK 10 13 VAL 1 CA - CB - CG2 ANGL. DEV. = 42.6 DEGREES 2PDD 268 REMARK 10 13 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 37.4 DEGREES 2PDD 269 REMARK 10 13 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 61.0 DEGREES 2PDD 270 REMARK 10 13 ILE 2 O-1 - C-1 - N ANGL. DEV. = 75.7 DEGREES 2PDD 271 REMARK 10 14 VAL 1 N - CA - C ANGL. DEV. = 81.8 DEGREES 2PDD 272 REMARK 10 14 VAL 1 C - CA - CB ANGL. DEV. = 46.8 DEGREES 2PDD 273 REMARK 10 14 VAL 1 CA - C - O ANGL. DEV. = 54.0 DEGREES 2PDD 274 REMARK 10 14 VAL 1 CA - CB - CG1 ANGL. DEV. = 41.9 DEGREES 2PDD 275 REMARK 10 14 VAL 1 CA - CB - CG2 ANGL. DEV. = 49.5 DEGREES 2PDD 276 REMARK 10 14 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 63.0 DEGREES 2PDD 277 REMARK 10 14 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 41.7 DEGREES 2PDD 278 REMARK 10 14 ILE 2 O-1 - C-1 - N ANGL. DEV. = 37.4 DEGREES 2PDD 279 REMARK 10 15 VAL 1 N - CA - C ANGL. DEV. = 64.1 DEGREES 2PDD 280 REMARK 10 15 VAL 1 C - CA - CB ANGL. DEV. = 46.8 DEGREES 2PDD 281 REMARK 10 15 VAL 1 CA - CB - CG1 ANGL. DEV. = 57.5 DEGREES 2PDD 282 REMARK 10 15 VAL 1 CA - CB - CG2 ANGL. DEV. = 33.5 DEGREES 2PDD 283 REMARK 10 15 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 67.0 DEGREES 2PDD 284 REMARK 10 15 ILE 2 O-1 - C-1 - N ANGL. DEV. = 71.0 DEGREES 2PDD 285 REMARK 10 15 ILE 2 C-1 - N - CA ANGL. DEV. = 36.6 DEGREES 2PDD 286 REMARK 10 16 VAL 1 N - CA - C ANGL. DEV. = 61.0 DEGREES 2PDD 287 REMARK 10 16 VAL 1 C - CA - CB ANGL. DEV. = 59.3 DEGREES 2PDD 288 REMARK 10 16 VAL 1 CA - CB - CG1 ANGL. DEV. = 84.6 DEGREES 2PDD 289 REMARK 10 16 VAL 1 CA - CB - CG2 ANGL. DEV. = 60.2 DEGREES 2PDD 290 REMARK 10 16 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 61.2 DEGREES 2PDD 291 REMARK 10 16 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 49.2 DEGREES 2PDD 292 REMARK 10 16 ILE 2 O-1 - C-1 - N ANGL. DEV. = 62.5 DEGREES 2PDD 293 REMARK 10 17 VAL 1 N - CA - C ANGL. DEV. = 86.0 DEGREES 2PDD 294 REMARK 10 17 VAL 1 N - CA - CB ANGL. DEV. = 36.7 DEGREES 2PDD 295 REMARK 10 17 VAL 1 CA - CB - CG2 ANGL. DEV. = 64.5 DEGREES 2PDD 296 REMARK 10 17 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 64.8 DEGREES 2PDD 297 REMARK 10 17 ILE 2 O-1 - C-1 - N ANGL. DEV. = 65.7 DEGREES 2PDD 298 REMARK 10 18 VAL 1 N - CA - C ANGL. DEV. = 81.4 DEGREES 2PDD 299 REMARK 10 18 VAL 1 CA - C - O ANGL. DEV. = 65.3 DEGREES 2PDD 300 REMARK 10 18 VAL 1 CA - CB - CG1 ANGL. DEV. = 59.6 DEGREES 2PDD 301 REMARK 10 18 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 73.7 DEGREES 2PDD 302 REMARK 10 18 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 44.4 DEGREES 2PDD 303 REMARK 10 19 VAL 1 N - CA - C ANGL. DEV. = 72.5 DEGREES 2PDD 304 REMARK 10 19 VAL 1 C - CA - CB ANGL. DEV. = 47.1 DEGREES 2PDD 305 REMARK 10 19 VAL 1 CA - CB - CG1 ANGL. DEV. = 65.6 DEGREES 2PDD 306 REMARK 10 19 VAL 1 CA - CB - CG2 ANGL. DEV. = 60.4 DEGREES 2PDD 307 REMARK 10 19 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 65.7 DEGREES 2PDD 308 REMARK 10 19 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 47.0 DEGREES 2PDD 309 REMARK 10 19 ILE 2 O-1 - C-1 - N ANGL. DEV. = 52.4 DEGREES 2PDD 310 REMARK 10 21 VAL 1 N - CA - C ANGL. DEV. = 78.7 DEGREES 2PDD 311 REMARK 10 21 VAL 1 CA - C - O ANGL. DEV. = 83.3 DEGREES 2PDD 312 REMARK 10 21 VAL 1 CA - CB - CG1 ANGL. DEV. = 81.0 DEGREES 2PDD 313 REMARK 10 21 VAL 1 CA - CB - CG2 ANGL. DEV. = 49.1 DEGREES 2PDD 314 REMARK 10 21 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 65.4 DEGREES 2PDD 315 REMARK 10 21 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 45.0 DEGREES 2PDD 316 REMARK 10 22 VAL 1 N - CA - C ANGL. DEV. = 82.3 DEGREES 2PDD 317 REMARK 10 22 VAL 1 CA - CB - CG1 ANGL. DEV. = 58.9 DEGREES 2PDD 318 REMARK 10 22 VAL 1 CA - CB - CG2 ANGL. DEV. = 63.8 DEGREES 2PDD 319 REMARK 10 22 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 42.3 DEGREES 2PDD 320 REMARK 10 22 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 51.3 DEGREES 2PDD 321 REMARK 10 22 ILE 2 O-1 - C-1 - N ANGL. DEV. = 86.8 DEGREES 2PDD 322 REMARK 10 23 VAL 1 N - CA - C ANGL. DEV. = 61.8 DEGREES 2PDD 323 REMARK 10 23 VAL 1 C - CA - CB ANGL. DEV. = 50.0 DEGREES 2PDD 324 REMARK 10 23 VAL 1 CA - CB - CG1 ANGL. DEV. = 44.2 DEGREES 2PDD 325 REMARK 10 23 VAL 1 CA - CB - CG2 ANGL. DEV. = 30.2 DEGREES 2PDD 326 REMARK 10 23 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 49.7 DEGREES 2PDD 327 REMARK 10 23 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 52.0 DEGREES 2PDD 328 REMARK 10 23 ILE 2 O-1 - C-1 - N ANGL. DEV. = 67.8 DEGREES 2PDD 329 REMARK 10 24 VAL 1 N - CA - C ANGL. DEV. = 78.0 DEGREES 2PDD 330 REMARK 10 24 VAL 1 CA - C - O ANGL. DEV. = 84.3 DEGREES 2PDD 331 REMARK 10 24 VAL 1 CA - CB - CG1 ANGL. DEV. = 76.3 DEGREES 2PDD 332 REMARK 10 24 VAL 1 CA - CB - CG2 ANGL. DEV. = 76.4 DEGREES 2PDD 333 REMARK 10 24 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 61.3 DEGREES 2PDD 334 REMARK 10 24 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 47.1 DEGREES 2PDD 335 REMARK 10 24 ILE 2 O-1 - C-1 - N ANGL. DEV. = 51.0 DEGREES 2PDD 336 REMARK 10 24 ILE 2 C-1 - N - CA ANGL. DEV. = 39.7 DEGREES 2PDD 337 REMARK 10 25 VAL 1 N - CA - C ANGL. DEV. = 102.6 DEGREES 2PDD 338 REMARK 10 25 VAL 1 CA - C - O ANGL. DEV. = 50.3 DEGREES 2PDD 339 REMARK 10 25 VAL 1 CA - CB - CG1 ANGL. DEV. = 37.8 DEGREES 2PDD 340 REMARK 10 25 VAL 1 CA - CB - CG2 ANGL. DEV. = 52.3 DEGREES 2PDD 341 REMARK 10 25 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 32.4 DEGREES 2PDD 342 REMARK 10 25 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 67.9 DEGREES 2PDD 343 REMARK 10 26 VAL 1 N - CA - C ANGL. DEV. = 83.1 DEGREES 2PDD 344 REMARK 10 26 VAL 1 C - CA - CB ANGL. DEV. = 41.4 DEGREES 2PDD 345 REMARK 10 26 VAL 1 CA - C - O ANGL. DEV. = 54.8 DEGREES 2PDD 346 REMARK 10 26 VAL 1 CA - CB - CG1 ANGL. DEV. = 48.5 DEGREES 2PDD 347 REMARK 10 26 VAL 1 CA - CB - CG2 ANGL. DEV. = 41.9 DEGREES 2PDD 348 REMARK 10 26 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 63.6 DEGREES 2PDD 349 REMARK 10 26 ILE 2 O-1 - C-1 - N ANGL. DEV. = 36.2 DEGREES 2PDD 350 REMARK 10 27 VAL 1 N - CA - C ANGL. DEV. = 78.1 DEGREES 2PDD 351 REMARK 10 27 VAL 1 N - CA - CB ANGL. DEV. = 36.9 DEGREES 2PDD 352 REMARK 10 27 VAL 1 C - CA - CB ANGL. DEV. = 63.6 DEGREES 2PDD 353 REMARK 10 27 VAL 1 CA - C - O ANGL. DEV. = 84.3 DEGREES 2PDD 354 REMARK 10 27 VAL 1 CA - CB - CG2 ANGL. DEV. = 65.6 DEGREES 2PDD 355 REMARK 10 27 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 62.4 DEGREES 2PDD 356 REMARK 10 27 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 47.1 DEGREES 2PDD 357 REMARK 10 28 VAL 1 N - CA - C ANGL. DEV. = 65.5 DEGREES 2PDD 358 REMARK 10 28 VAL 1 N - CA - CB ANGL. DEV. = 36.5 DEGREES 2PDD 359 REMARK 10 28 VAL 1 C - CA - CB ANGL. DEV. = 54.9 DEGREES 2PDD 360 REMARK 10 28 VAL 1 CA - C - O ANGL. DEV. = 35.2 DEGREES 2PDD 361 REMARK 10 28 VAL 1 CA - CB - CG1 ANGL. DEV. = 33.7 DEGREES 2PDD 362 REMARK 10 28 VAL 1 CA - CB - CG2 ANGL. DEV. = 75.0 DEGREES 2PDD 363 REMARK 10 28 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 62.5 DEGREES 2PDD 364 REMARK 10 28 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 45.1 DEGREES 2PDD 365 REMARK 10 28 ILE 2 O-1 - C-1 - N ANGL. DEV. = 54.8 DEGREES 2PDD 366 REMARK 10 29 VAL 1 N - CA - C ANGL. DEV. = 75.4 DEGREES 2PDD 367 REMARK 10 29 VAL 1 C - CA - CB ANGL. DEV. = 49.1 DEGREES 2PDD 368 REMARK 10 29 VAL 1 CA - C - O ANGL. DEV. = 70.2 DEGREES 2PDD 369 REMARK 10 29 VAL 1 CA - CB - CG1 ANGL. DEV. = 49.9 DEGREES 2PDD 370 REMARK 10 29 VAL 1 CA - CB - CG2 ANGL. DEV. = 41.1 DEGREES 2PDD 371 REMARK 10 29 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 63.4 DEGREES 2PDD 372 REMARK 10 29 ILE 2 C-1 - N - CA ANGL. DEV. = 37.3 DEGREES 2PDD 373 REMARK 10 31 VAL 1 N - CA - C ANGL. DEV. = 71.3 DEGREES 2PDD 374 REMARK 10 31 VAL 1 C - CA - CB ANGL. DEV. = 50.4 DEGREES 2PDD 375 REMARK 10 31 VAL 1 CA - CB - CG1 ANGL. DEV. = 47.3 DEGREES 2PDD 376 REMARK 10 31 VAL 1 CA - CB - CG2 ANGL. DEV. = 38.7 DEGREES 2PDD 377 REMARK 10 31 VAL 1 CG1 - CB - CG2 ANGL. DEV. = 67.2 DEGREES 2PDD 378 REMARK 10 31 ILE 2 CA-1 - C-1 - N ANGL. DEV. = 35.5 DEGREES 2PDD 379 REMARK 10 31 ILE 2 O-1 - C-1 - N ANGL. DEV. = 60.0 DEGREES 2PDD 380 REMARK 11 2PDD 381 REMARK 11 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL 2PDD 382 REMARK 11 CENTER(S) (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN 2PDD 383 REMARK 11 IDENTIFIER; SEQ=SEQUENCE NUMBER; I=INSERTION CODE): 2PDD 384 REMARK 11 M RES C SEQI 2PDD 385 REMARK 11 13 VAL 1 ALPHA-CARBON 2PDD 386 REMARK 11 15 VAL 1 ALPHA-CARBON 2PDD 387 REMARK 11 17 VAL 1 ALPHA-CARBON 2PDD 388 REMARK 11 18 VAL 1 ALPHA-CARBON 2PDD 389 REMARK 11 19 VAL 1 ALPHA-CARBON 2PDD 390 REMARK 11 22 VAL 1 ALPHA-CARBON 2PDD 391 REMARK 11 23 VAL 1 ALPHA-CARBON 2PDD 392 REMARK 11 25 VAL 1 ALPHA-CARBON 2PDD 393 REMARK 11 29 VAL 1 ALPHA-CARBON 2PDD 394 REMARK 12 2PDD 395 REMARK 12 CROSS REFERENCE TO SEQUENCE DATABASE 2PDD 396 REMARK 12 SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME 2PDD 397 REMARK 12 ODP2_BACST 2PDD 398 REMARK 13 2PDDA 4 REMARK 13 CORRECTION. REVISE AUTHOR LIST BASED ON INSTRUCTIONS FROM 2PDDA 5 REMARK 13 THE DEPOSITOR. 08-MAR-95. 2PDDA 6 SEQRES 1 43 VAL ILE ALA MET PRO SER VAL ARG LYS TYR ALA ARG GLU 2PDD 399 SEQRES 2 43 LYS GLY VAL ASP ILE ARG LEU VAL GLN GLY THR GLY LYS 2PDD 400 SEQRES 3 43 ASN GLY ARG VAL LEU LYS GLU ASP ILE ASP ALA PHE LEU 2PDD 401 SEQRES 4 43 ALA GLY GLY ALA 2PDD 402 HELIX 1 H1 VAL 7 GLY 15 1 2PDD 403 HELIX 2 H2 ASP 17 VAL 21 5 2PDD 404 HELIX 3 H3 LYS 32 LEU 39 1 2PDD 405 TURN 1 T4A GLN 22 GLY 25 2PDD 406 TURN 2 T4B GLY 23 LYS 26 2PDD 407 TURN 3 T4C LYS 26 ARG 29 2PDD 408 TURN 4 T4D ASN 27 VAL 30 SEE REMARK 6. 2PDD 409 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 2PDD 410 ORIGX1 1.000000 0.000000 0.000000 0.00000 2PDD 411 ORIGX2 0.000000 1.000000 0.000000 0.00000 2PDD 412 ORIGX3 0.000000 0.000000 1.000000 0.00000 2PDD 413 SCALE1 1.000000 0.000000 0.000000 0.00000 2PDD 414 SCALE2 0.000000 1.000000 0.000000 0.00000 2PDD 415 SCALE3 0.000000 0.000000 1.000000 0.00000 2PDD 416 MODEL 1 2PDD 417 ATOM 1 N VAL 1 -7.859 -12.441 4.870 1.00 0.00 1 2PDD 418 ATOM 2 CA VAL 1 -7.698 -12.220 3.413 1.00 0.00 1 2PDD 419 ATOM 3 C VAL 1 -6.758 -11.046 3.157 1.00 0.00 1 2PDD 420 ATOM 4 O VAL 1 -7.071 -10.152 2.395 1.00 0.00 1 2PDD 421 ATOM 5 CB VAL 1 -9.069 -11.902 2.776 1.00 0.00 1 2PDD 422 ATOM 6 CG1 VAL 1 -8.998 -12.155 1.269 1.00 0.00 1 2PDD 423 ATOM 7 CG2 VAL 1 -10.135 -12.813 3.389 1.00 0.00 1 2PDD 424 ATOM 8 1H VAL 1 -6.922 -12.468 5.323 1.00 0.00 1 2PDD 425 ATOM 9 2H VAL 1 -8.420 -11.667 5.278 1.00 0.00 1 2PDD 426 ATOM 10 3H VAL 1 -8.348 -13.344 5.032 1.00 0.00 1 2PDD 427 ATOM 11 HA VAL 1 -7.287 -13.107 2.955 1.00 0.00 1 2PDD 428 ATOM 12 HB VAL 1 -9.308 -10.863 2.949 1.00 0.00 1 2PDD 429 ATOM 13 1HG1 VAL 1 -8.136 -11.632 0.881 1.00 0.00 1 2PDD 430 ATOM 14 2HG1 VAL 1 -8.882 -13.212 1.084 1.00 0.00 1 2PDD 431 ATOM 15 3HG1 VAL 1 -9.888 -11.772 0.794 1.00 0.00 1 2PDD 432 ATOM 16 1HG2 VAL 1 -9.634 -13.539 4.013 1.00 0.00 1 2PDD 433 ATOM 17 2HG2 VAL 1 -10.807 -12.226 3.995 1.00 0.00 1 2PDD 434 ATOM 18 3HG2 VAL 1 -10.665 -13.329 2.602 1.00 0.00 1 2PDD 435 ATOM 19 N ILE 2 -5.621 -11.068 3.798 1.00 0.00 1 2PDD 436 ATOM 20 CA ILE 2 -4.654 -9.957 3.601 1.00 0.00 1 2PDD 437 ATOM 21 C ILE 2 -4.323 -9.780 2.126 1.00 0.00 1 2PDD 438 ATOM 22 O ILE 2 -4.523 -10.676 1.330 1.00 0.00 1 2PDD 439 ATOM 23 CB ILE 2 -3.359 -10.299 4.360 1.00 0.00 1 2PDD 440 ATOM 24 CG1 ILE 2 -3.695 -10.742 5.798 1.00 0.00 1 2PDD 441 ATOM 25 CG2 ILE 2 -2.431 -9.035 4.398 1.00 0.00 1 2PDD 442 ATOM 26 CD1 ILE 2 -4.648 -9.729 6.452 1.00 0.00 1 2PDD 443 ATOM 27 H ILE 2 -5.407 -11.808 4.403 1.00 0.00 1 2PDD 444 ATOM 28 HA ILE 2 -5.075 -9.046 4.000 1.00 0.00 1 2PDD 445 ATOM 29 HB ILE 2 -2.857 -11.109 3.852 1.00 0.00 1 2PDD 446 ATOM 30 1HG1 ILE 2 -4.179 -11.707 5.765 1.00 0.00 1 2PDD 447 ATOM 31 2HG1 ILE 2 -2.784 -10.788 6.374 1.00 0.00 1 2PDD 448 ATOM 32 1HG2 ILE 2 -2.201 -8.726 3.389 1.00 0.00 1 2PDD 449 ATOM 33 2HG2 ILE 2 -2.920 -8.243 4.946 1.00 0.00 1 2PDD 450 ATOM 34 3HG2 ILE 2 -1.516 -9.307 4.903 1.00 0.00 1 2PDD 451 ATOM 35 1HD1 ILE 2 -4.270 -8.729 6.301 1.00 0.00 1 2PDD 452 ATOM 36 2HD1 ILE 2 -5.637 -9.841 6.034 1.00 0.00 1 2PDD 453 ATOM 37 3HD1 ILE 2 -4.683 -9.939 7.510 1.00 0.00 1 2PDD 454 ATOM 38 N ALA 3 -3.827 -8.623 1.782 1.00 0.00 2PDD 455 ATOM 39 CA ALA 3 -3.480 -8.370 0.361 1.00 0.00 2PDD 456 ATOM 40 C ALA 3 -2.491 -9.407 -0.147 1.00 0.00 2PDD 457 ATOM 41 O ALA 3 -1.874 -10.114 0.627 1.00 0.00 2PDD 458 ATOM 42 CB ALA 3 -2.835 -6.978 0.257 1.00 0.00 2PDD 459 ATOM 43 H ALA 3 -3.685 -7.927 2.458 1.00 0.00 2PDD 460 ATOM 44 HA ALA 3 -4.383 -8.393 -0.232 1.00 0.00 2PDD 461 ATOM 45 1HB ALA 3 -2.003 -6.945 0.945 1.00 0.00 2PDD 462 ATOM 46 2HB ALA 3 -2.474 -6.821 -0.746 1.00 0.00 2PDD 463 ATOM 47 3HB ALA 3 -3.556 -6.224 0.536 1.00 0.00 2PDD 464 ATOM 48 N MET 4 -2.349 -9.480 -1.440 1.00 0.00 2PDD 465 ATOM 49 CA MET 4 -1.400 -10.464 -2.016 1.00 0.00 2PDD 466 ATOM 50 C MET 4 0.053 -10.094 -1.645 1.00 0.00 2PDD 467 ATOM 51 O MET 4 0.360 -8.933 -1.464 1.00 0.00 2PDD 468 ATOM 52 CB MET 4 -1.544 -10.414 -3.550 1.00 0.00 2PDD 469 ATOM 53 CG MET 4 -2.900 -11.005 -3.953 1.00 0.00 2PDD 470 ATOM 54 SD MET 4 -3.442 -10.749 -5.657 1.00 0.00 2PDD 471 ATOM 55 CE MET 4 -5.003 -11.658 -5.539 1.00 0.00 2PDD 472 ATOM 56 H MET 4 -2.865 -8.888 -2.028 1.00 0.00 2PDD 473 ATOM 57 HA MET 4 -1.654 -11.452 -1.660 1.00 0.00 2PDD 474 ATOM 58 1HB MET 4 -1.496 -9.387 -3.878 1.00 0.00 2PDD 475 ATOM 59 2HB MET 4 -0.755 -10.999 -3.999 1.00 0.00 2PDD 476 ATOM 60 1HG MET 4 -2.843 -12.074 -3.799 1.00 0.00 2PDD 477 ATOM 61 2HG MET 4 -3.648 -10.560 -3.314 1.00 0.00 2PDD 478 ATOM 62 1HE MET 4 -4.815 -12.553 -4.965 1.00 0.00 2PDD 479 ATOM 63 2HE MET 4 -5.735 -11.051 -5.029 1.00 0.00 2PDD 480 ATOM 64 3HE MET 4 -5.337 -11.931 -6.529 1.00 0.00 2PDD 481 ATOM 65 N PRO 5 0.943 -11.090 -1.533 1.00 0.00 2PDD 482 ATOM 66 CA PRO 5 2.340 -10.812 -1.186 1.00 0.00 2PDD 483 ATOM 67 C PRO 5 2.996 -9.918 -2.246 1.00 0.00 2PDD 484 ATOM 68 O PRO 5 3.721 -8.994 -1.928 1.00 0.00 2PDD 485 ATOM 69 CB PRO 5 3.035 -12.215 -1.150 1.00 0.00 2PDD 486 ATOM 70 CG PRO 5 1.975 -13.264 -1.623 1.00 0.00 2PDD 487 ATOM 71 CD PRO 5 0.618 -12.523 -1.731 1.00 0.00 2PDD 488 ATOM 72 HA PRO 5 2.391 -10.343 -0.216 1.00 0.00 2PDD 489 ATOM 73 1HB PRO 5 3.879 -12.221 -1.823 1.00 0.00 2PDD 490 ATOM 74 2HB PRO 5 3.345 -12.442 -0.140 1.00 0.00 2PDD 491 ATOM 75 1HG PRO 5 2.254 -13.652 -2.591 1.00 0.00 2PDD 492 ATOM 76 2HG PRO 5 1.899 -14.058 -0.896 1.00 0.00 2PDD 493 ATOM 77 1HD PRO 5 0.188 -12.670 -2.710 1.00 0.00 2PDD 494 ATOM 78 2HD PRO 5 -0.052 -12.857 -0.954 1.00 0.00 2PDD 495 ATOM 79 N SER 6 2.725 -10.222 -3.487 1.00 0.00 2PDD 496 ATOM 80 CA SER 6 3.314 -9.418 -4.587 1.00 0.00 2PDD 497 ATOM 81 C SER 6 3.163 -7.920 -4.333 1.00 0.00 2PDD 498 ATOM 82 O SER 6 3.982 -7.133 -4.762 1.00 0.00 2PDD 499 ATOM 83 CB SER 6 2.569 -9.772 -5.882 1.00 0.00 2PDD 500 ATOM 84 OG SER 6 3.042 -11.071 -6.207 1.00 0.00 2PDD 501 ATOM 85 H SER 6 2.135 -10.976 -3.690 1.00 0.00 2PDD 502 ATOM 86 HA SER 6 4.360 -9.669 -4.691 1.00 0.00 2PDD 503 ATOM 87 1HB SER 6 1.504 -9.796 -5.711 1.00 0.00 2PDD 504 ATOM 88 2HB SER 6 2.825 -9.076 -6.667 1.00 0.00 2PDD 505 ATOM 89 HG SER 6 2.684 -11.311 -7.064 1.00 0.00 2PDD 506 ATOM 90 N VAL 7 2.118 -7.551 -3.639 1.00 0.00 2PDD 507 ATOM 91 CA VAL 7 1.903 -6.101 -3.350 1.00 0.00 2PDD 508 ATOM 92 C VAL 7 2.618 -5.677 -2.070 1.00 0.00 2PDD 509 ATOM 93 O VAL 7 3.214 -4.626 -2.016 1.00 0.00 2PDD 510 ATOM 94 CB VAL 7 0.394 -5.873 -3.167 1.00 0.00 2PDD 511 ATOM 95 CG1 VAL 7 0.149 -4.401 -2.813 1.00 0.00 2PDD 512 ATOM 96 CG2 VAL 7 -0.330 -6.204 -4.473 1.00 0.00 2PDD 513 ATOM 97 H VAL 7 1.482 -8.219 -3.311 1.00 0.00 2PDD 514 ATOM 98 HA VAL 7 2.257 -5.515 -4.184 1.00 0.00 2PDD 515 ATOM 99 HB VAL 7 0.037 -6.497 -2.361 1.00 0.00 2PDD 516 ATOM 100 1HG1 VAL 7 1.078 -3.868 -2.941 1.00 0.00 2PDD 517 ATOM 101 2HG1 VAL 7 -0.594 -3.990 -3.480 1.00 0.00 2PDD 518 ATOM 102 3HG1 VAL 7 -0.165 -4.325 -1.783 1.00 0.00 2PDD 519 ATOM 103 1HG2 VAL 7 0.401 -6.213 -5.268 1.00 0.00 2PDD 520 ATOM 104 2HG2 VAL 7 -0.784 -7.181 -4.397 1.00 0.00 2PDD 521 ATOM 105 3HG2 VAL 7 -1.069 -5.444 -4.679 1.00 0.00 2PDD 522 ATOM 106 N ARG 8 2.539 -6.496 -1.066 1.00 0.00 2PDD 523 ATOM 107 CA ARG 8 3.211 -6.138 0.207 1.00 0.00 2PDD 524 ATOM 108 C ARG 8 4.717 -5.997 0.024 1.00 0.00 2PDD 525 ATOM 109 O ARG 8 5.320 -5.073 0.541 1.00 0.00 2PDD 526 ATOM 110 CB ARG 8 2.942 -7.245 1.231 1.00 0.00 2PDD 527 ATOM 111 CG ARG 8 3.374 -6.755 2.614 1.00 0.00 2PDD 528 ATOM 112 CD ARG 8 3.264 -7.906 3.611 1.00 0.00 2PDD 529 ATOM 113 NE ARG 8 1.944 -8.573 3.438 1.00 0.00 2PDD 530 ATOM 114 CZ ARG 8 1.680 -9.663 4.102 1.00 0.00 2PDD 531 ATOM 115 NH1 ARG 8 2.332 -9.906 5.205 1.00 0.00 2PDD 532 ATOM 116 NH2 ARG 8 0.767 -10.478 3.642 1.00 0.00 2PDD 533 ATOM 117 H ARG 8 2.042 -7.336 -1.148 1.00 0.00 2PDD 534 ATOM 118 HA ARG 8 2.805 -5.206 0.570 1.00 0.00 2PDD 535 ATOM 119 1HB ARG 8 1.886 -7.466 1.246 1.00 0.00 2PDD 536 ATOM 120 2HB ARG 8 3.515 -8.121 0.968 1.00 0.00 2PDD 537 ATOM 121 1HG ARG 8 4.400 -6.423 2.567 1.00 0.00 2PDD 538 ATOM 122 2HG ARG 8 2.723 -5.952 2.925 1.00 0.00 2PDD 539 ATOM 123 1HD ARG 8 4.048 -8.623 3.417 1.00 0.00 2PDD 540 ATOM 124 2HD ARG 8 3.331 -7.517 4.616 1.00 0.00 2PDD 541 ATOM 125 HE ARG 8 1.278 -8.195 2.827 1.00 0.00 2PDD 542 ATOM 126 1HH1 ARG 8 3.018 -9.255 5.534 1.00 0.00 2PDD 543 ATOM 127 2HH1 ARG 8 2.147 -10.742 5.723 1.00 0.00 2PDD 544 ATOM 128 1HH2 ARG 8 0.414 -10.359 2.714 1.00 0.00 2PDD 545 ATOM 129 2HH2 ARG 8 0.420 -11.218 4.219 1.00 0.00 2PDD 546 ATOM 130 N LYS 9 5.307 -6.910 -0.699 1.00 0.00 2PDD 547 ATOM 131 CA LYS 9 6.772 -6.822 -0.909 1.00 0.00 2PDD 548 ATOM 132 C LYS 9 7.162 -5.457 -1.439 1.00 0.00 2PDD 549 ATOM 133 O LYS 9 8.169 -4.903 -1.049 1.00 0.00 2PDD 550 ATOM 134 CB LYS 9 7.180 -7.900 -1.928 1.00 0.00 2PDD 551 ATOM 135 CG LYS 9 7.052 -9.307 -1.274 1.00 0.00 2PDD 552 ATOM 136 CD LYS 9 6.661 -10.344 -2.340 1.00 0.00 2PDD 553 ATOM 137 CE LYS 9 7.783 -10.456 -3.384 1.00 0.00 2PDD 554 ATOM 138 NZ LYS 9 7.704 -9.337 -4.366 1.00 0.00 2PDD 555 ATOM 139 H LYS 9 4.791 -7.640 -1.097 1.00 0.00 2PDD 556 ATOM 140 HA LYS 9 7.276 -7.005 0.030 1.00 0.00 2PDD 557 ATOM 141 1HB LYS 9 6.520 -7.845 -2.782 1.00 0.00 2PDD 558 ATOM 142 2HB LYS 9 8.205 -7.738 -2.223 1.00 0.00 2PDD 559 ATOM 143 1HG LYS 9 8.005 -9.584 -0.847 1.00 0.00 2PDD 560 ATOM 144 2HG LYS 9 6.284 -9.274 -0.515 1.00 0.00 2PDD 561 ATOM 145 1HD LYS 9 6.523 -11.304 -1.866 1.00 0.00 2PDD 562 ATOM 146 2HD LYS 9 5.754 -10.021 -2.830 1.00 0.00 2PDD 563 ATOM 147 1HE LYS 9 8.737 -10.404 -2.880 1.00 0.00 2PDD 564 ATOM 148 2HE LYS 9 7.674 -11.389 -3.917 1.00 0.00 2PDD 565 ATOM 149 1HZ LYS 9 6.722 -9.232 -4.692 1.00 0.00 2PDD 566 ATOM 150 2HZ LYS 9 8.015 -8.455 -3.912 1.00 0.00 2PDD 567 ATOM 151 3HZ LYS 9 8.319 -9.545 -5.179 1.00 0.00 2PDD 568 ATOM 152 N TYR 10 6.365 -4.931 -2.320 1.00 0.00 2PDD 569 ATOM 153 CA TYR 10 6.691 -3.610 -2.864 1.00 0.00 2PDD 570 ATOM 154 C TYR 10 6.738 -2.597 -1.726 1.00 0.00 2PDD 571 ATOM 155 O TYR 10 7.680 -1.847 -1.588 1.00 0.00 2PDD 572 ATOM 156 CB TYR 10 5.592 -3.230 -3.880 1.00 0.00 2PDD 573 ATOM 157 CG TYR 10 5.582 -1.721 -4.097 1.00 0.00 2PDD 574 ATOM 158 CD1 TYR 10 6.393 -1.141 -5.044 1.00 0.00 2PDD 575 ATOM 159 CD2 TYR 10 4.768 -0.918 -3.332 1.00 0.00 2PDD 576 ATOM 160 CE1 TYR 10 6.391 0.226 -5.222 1.00 0.00 2PDD 577 ATOM 161 CE2 TYR 10 4.762 0.441 -3.508 1.00 0.00 2PDD 578 ATOM 162 CZ TYR 10 5.570 1.028 -4.460 1.00 0.00 2PDD 579 ATOM 163 OH TYR 10 5.527 2.384 -4.673 1.00 0.00 2PDD 580 ATOM 164 H TYR 10 5.562 -5.408 -2.614 1.00 0.00 2PDD 581 ATOM 165 HA TYR 10 7.645 -3.659 -3.365 1.00 0.00 2PDD 582 ATOM 166 1HB TYR 10 5.798 -3.715 -4.821 1.00 0.00 2PDD 583 ATOM 167 2HB TYR 10 4.631 -3.530 -3.489 1.00 0.00 2PDD 584 ATOM 168 HD1 TYR 10 7.036 -1.761 -5.653 1.00 0.00 2PDD 585 ATOM 169 HD2 TYR 10 4.127 -1.363 -2.584 1.00 0.00 2PDD 586 ATOM 170 HE1 TYR 10 7.037 0.671 -5.965 1.00 0.00 2PDD 587 ATOM 171 HE2 TYR 10 4.121 1.057 -2.897 1.00 0.00 2PDD 588 ATOM 172 HH TYR 10 5.644 2.821 -3.826 1.00 0.00 2PDD 589 ATOM 173 N ALA 11 5.715 -2.592 -0.940 1.00 0.00 2PDD 590 ATOM 174 CA ALA 11 5.671 -1.651 0.193 1.00 0.00 2PDD 591 ATOM 175 C ALA 11 6.970 -1.712 0.973 1.00 0.00 2PDD 592 ATOM 176 O ALA 11 7.531 -0.704 1.357 1.00 0.00 2PDD 593 ATOM 177 CB ALA 11 4.521 -2.071 1.118 1.00 0.00 2PDD 594 ATOM 178 H ALA 11 4.971 -3.211 -1.095 1.00 0.00 2PDD 595 ATOM 179 HA ALA 11 5.489 -0.654 -0.181 1.00 0.00 2PDD 596 ATOM 180 1HB ALA 11 3.764 -2.583 0.544 1.00 0.00 2PDD 597 ATOM 181 2HB ALA 11 4.920 -2.745 1.861 1.00 0.00 2PDD 598 ATOM 182 3HB ALA 11 4.116 -1.199 1.610 1.00 0.00 2PDD 599 ATOM 183 N ARG 12 7.419 -2.907 1.185 1.00 0.00 2PDD 600 ATOM 184 CA ARG 12 8.676 -3.094 1.937 1.00 0.00 2PDD 601 ATOM 185 C ARG 12 9.871 -2.546 1.164 1.00 0.00 2PDD 602 ATOM 186 O ARG 12 10.709 -1.856 1.718 1.00 0.00 2PDD 603 ATOM 187 CB ARG 12 8.885 -4.602 2.156 1.00 0.00 2PDD 604 ATOM 188 CG ARG 12 7.875 -5.106 3.190 1.00 0.00 2PDD 605 ATOM 189 CD ARG 12 7.990 -6.626 3.307 1.00 0.00 2PDD 606 ATOM 190 NE ARG 12 9.382 -6.979 3.710 1.00 0.00 2PDD 607 ATOM 191 CZ ARG 12 9.723 -8.239 3.811 1.00 0.00 2PDD 608 ATOM 192 NH1 ARG 12 9.129 -8.986 4.704 1.00 0.00 2PDD 609 ATOM 193 NH2 ARG 12 10.651 -8.704 3.022 1.00 0.00 2PDD 610 ATOM 194 H ARG 12 6.928 -3.685 0.848 1.00 0.00 2PDD 611 ATOM 195 HA ARG 12 8.594 -2.599 2.893 1.00 0.00 2PDD 612 ATOM 196 1HB ARG 12 8.727 -5.121 1.223 1.00 0.00 2PDD 613 ATOM 197 2HB ARG 12 9.886 -4.771 2.525 1.00 0.00 2PDD 614 ATOM 198 1HG ARG 12 8.095 -4.658 4.148 1.00 0.00 2PDD 615 ATOM 199 2HG ARG 12 6.878 -4.850 2.865 1.00 0.00 2PDD 616 ATOM 200 1HD ARG 12 7.305 -6.980 4.064 1.00 0.00 2PDD 617 ATOM 201 2HD ARG 12 7.778 -7.075 2.349 1.00 0.00 2PDD 618 ATOM 202 HE ARG 12 10.037 -6.275 3.896 1.00 0.00 2PDD 619 ATOM 203 1HH1 ARG 12 8.950 -8.625 5.619 1.00 0.00 2PDD 620 ATOM 204 2HH1 ARG 12 8.854 -9.919 4.472 1.00 0.00 2PDD 621 ATOM 205 1HH2 ARG 12 11.086 -8.102 2.353 1.00 0.00 2PDD 622 ATOM 206 2HH2 ARG 12 10.927 -9.663 3.085 1.00 0.00 2PDD 623 ATOM 207 N GLU 13 9.931 -2.856 -0.105 1.00 0.00 2PDD 624 ATOM 208 CA GLU 13 11.066 -2.360 -0.926 1.00 0.00 2PDD 625 ATOM 209 C GLU 13 11.321 -0.870 -0.685 1.00 0.00 2PDD 626 ATOM 210 O GLU 13 12.390 -0.497 -0.237 1.00 0.00 2PDD 627 ATOM 211 CB GLU 13 10.738 -2.581 -2.420 1.00 0.00 2PDD 628 ATOM 212 CG GLU 13 10.957 -4.054 -2.770 1.00 0.00 2PDD 629 ATOM 213 CD GLU 13 12.460 -4.323 -2.910 1.00 0.00 2PDD 630 ATOM 214 OE1 GLU 13 13.053 -3.664 -3.750 1.00 0.00 2PDD 631 ATOM 215 OE2 GLU 13 12.928 -5.171 -2.170 1.00 0.00 2PDD 632 ATOM 216 H GLU 13 9.232 -3.411 -0.512 1.00 0.00 2PDD 633 ATOM 217 HA GLU 13 11.956 -2.915 -0.669 1.00 0.00 2PDD 634 ATOM 218 1HB GLU 13 9.704 -2.326 -2.597 1.00 0.00 2PDD 635 ATOM 219 2HB GLU 13 11.394 -1.972 -3.022 1.00 0.00 2PDD 636 ATOM 220 1HG GLU 13 10.564 -4.672 -1.977 1.00 0.00 2PDD 637 ATOM 221 2HG GLU 13 10.474 -4.272 -3.712 1.00 0.00 2PDD 638 ATOM 222 N LYS 14 10.348 -0.035 -0.981 1.00 0.00 2PDD 639 ATOM 223 CA LYS 14 10.566 1.424 -0.757 1.00 0.00 2PDD 640 ATOM 224 C LYS 14 10.435 1.775 0.725 1.00 0.00 2PDD 641 ATOM 225 O LYS 14 10.969 2.770 1.173 1.00 0.00 2PDD 642 ATOM 226 CB LYS 14 9.532 2.235 -1.582 1.00 0.00 2PDD 643 ATOM 227 CG LYS 14 8.087 1.803 -1.229 1.00 0.00 2PDD 644 ATOM 228 CD LYS 14 7.114 2.970 -1.528 1.00 0.00 2PDD 645 ATOM 229 CE LYS 14 7.377 3.529 -2.935 1.00 0.00 2PDD 646 ATOM 230 NZ LYS 14 6.196 4.295 -3.420 1.00 0.00 2PDD 647 ATOM 231 H LYS 14 9.499 -0.365 -1.341 1.00 0.00 2PDD 648 ATOM 232 HA LYS 14 11.562 1.682 -1.083 1.00 0.00 2PDD 649 ATOM 233 1HB LYS 14 9.647 3.283 -1.350 1.00 0.00 2PDD 650 ATOM 234 2HB LYS 14 9.704 2.050 -2.632 1.00 0.00 2PDD 651 ATOM 235 1HG LYS 14 7.815 0.952 -1.835 1.00 0.00 2PDD 652 ATOM 236 2HG LYS 14 8.037 1.562 -0.178 1.00 0.00 2PDD 653 ATOM 237 1HD LYS 14 6.101 2.601 -1.480 1.00 0.00 2PDD 654 ATOM 238 2HD LYS 14 7.275 3.755 -0.802 1.00 0.00 2PDD 655 ATOM 239 1HE LYS 14 8.227 4.194 -2.896 1.00 0.00 2PDD 656 ATOM 240 2HE LYS 14 7.556 2.707 -3.612 1.00 0.00 2PDD 657 ATOM 241 1HZ LYS 14 5.402 4.159 -2.762 1.00 0.00 2PDD 658 ATOM 242 2HZ LYS 14 6.435 5.305 -3.472 1.00 0.00 2PDD 659 ATOM 243 3HZ LYS 14 5.925 3.953 -4.364 1.00 0.00 2PDD 660 ATOM 244 N GLY 15 9.731 0.947 1.461 1.00 0.00 2PDD 661 ATOM 245 CA GLY 15 9.558 1.218 2.933 1.00 0.00 2PDD 662 ATOM 246 C GLY 15 8.265 2.000 3.213 1.00 0.00 2PDD 663 ATOM 247 O GLY 15 8.288 3.200 3.394 1.00 0.00 2PDD 664 ATOM 248 H GLY 15 9.321 0.156 1.055 1.00 0.00 2PDD 665 ATOM 249 1HA GLY 15 9.505 0.273 3.451 1.00 0.00 2PDD 666 ATOM 250 2HA GLY 15 10.395 1.808 3.273 1.00 0.00 2PDD 667 ATOM 251 N VAL 16 7.162 1.294 3.256 1.00 0.00 2PDD 668 ATOM 252 CA VAL 16 5.853 1.967 3.521 1.00 0.00 2PDD 669 ATOM 253 C VAL 16 4.911 1.019 4.277 1.00 0.00 2PDD 670 ATOM 254 O VAL 16 4.713 -0.113 3.879 1.00 0.00 2PDD 671 ATOM 255 CB VAL 16 5.222 2.360 2.162 1.00 0.00 2PDD 672 ATOM 256 CG1 VAL 16 3.720 2.648 2.327 1.00 0.00 2PDD 673 ATOM 257 CG2 VAL 16 5.909 3.624 1.642 1.00 0.00 2PDD 674 ATOM 258 H VAL 16 7.194 0.324 3.113 1.00 0.00 2PDD 675 ATOM 259 HA VAL 16 6.024 2.857 4.109 1.00 0.00 2PDD 676 ATOM 260 HB VAL 16 5.345 1.539 1.470 1.00 0.00 2PDD 677 ATOM 261 1HG1 VAL 16 3.314 2.015 3.102 1.00 0.00 2PDD 678 ATOM 262 2HG1 VAL 16 3.609 3.682 2.618 1.00 0.00 2PDD 679 ATOM 263 3HG1 VAL 16 3.214 2.486 1.387 1.00 0.00 2PDD 680 ATOM 264 1HG2 VAL 16 6.975 3.489 1.741 1.00 0.00 2PDD 681 ATOM 265 2HG2 VAL 16 5.663 3.767 0.600 1.00 0.00 2PDD 682 ATOM 266 3HG2 VAL 16 5.602 4.472 2.237 1.00 0.00 2PDD 683 ATOM 267 N ASP 17 4.351 1.507 5.351 1.00 0.00 2PDD 684 ATOM 268 CA ASP 17 3.424 0.659 6.141 1.00 0.00 2PDD 685 ATOM 269 C ASP 17 2.088 0.506 5.420 1.00 0.00 2PDD 686 ATOM 270 O ASP 17 1.280 1.411 5.410 1.00 0.00 2PDD 687 ATOM 271 CB ASP 17 3.186 1.344 7.492 1.00 0.00 2PDD 688 ATOM 272 CG ASP 17 2.375 0.414 8.396 1.00 0.00 2PDD 689 ATOM 273 OD1 ASP 17 1.472 -0.210 7.864 1.00 0.00 2PDD 690 ATOM 274 OD2 ASP 17 2.707 0.379 9.572 1.00 0.00 2PDD 691 ATOM 275 H ASP 17 4.542 2.424 5.634 1.00 0.00 2PDD 692 ATOM 276 HA ASP 17 3.875 -0.309 6.302 1.00 0.00 2PDD 693 ATOM 277 1HB ASP 17 4.137 1.545 7.962 1.00 0.00 2PDD 694 ATOM 278 2HB ASP 17 2.627 2.255 7.336 1.00 0.00 2PDD 695 ATOM 279 N ILE 18 1.878 -0.646 4.836 1.00 0.00 2PDD 696 ATOM 280 CA ILE 18 0.606 -0.889 4.106 1.00 0.00 2PDD 697 ATOM 281 C ILE 18 -0.614 -0.497 4.939 1.00 0.00 2PDD 698 ATOM 282 O ILE 18 -1.541 0.119 4.452 1.00 0.00 2PDD 699 ATOM 283 CB ILE 18 0.543 -2.394 3.756 1.00 0.00 2PDD 700 ATOM 284 CG1 ILE 18 -0.431 -2.618 2.605 1.00 0.00 2PDD 701 ATOM 285 CG2 ILE 18 0.058 -3.223 4.980 1.00 0.00 2PDD 702 ATOM 286 CD1 ILE 18 -0.399 -4.091 2.175 1.00 0.00 2PDD 703 ATOM 287 H ILE 18 2.561 -1.349 4.880 1.00 0.00 2PDD 704 ATOM 288 HA ILE 18 0.598 -0.304 3.199 1.00 0.00 2PDD 705 ATOM 289 HB ILE 18 1.526 -2.726 3.455 1.00 0.00 2PDD 706 ATOM 290 1HG1 ILE 18 -1.430 -2.370 2.935 1.00 0.00 2PDD 707 ATOM 291 2HG1 ILE 18 -0.136 -2.001 1.770 1.00 0.00 2PDD 708 ATOM 292 1HG2 ILE 18 0.091 -2.610 5.869 1.00 0.00 2PDD 709 ATOM 293 2HG2 ILE 18 -0.941 -3.588 4.797 1.00 0.00 2PDD 710 ATOM 294 3HG2 ILE 18 0.725 -4.062 5.102 1.00 0.00 2PDD 711 ATOM 295 1HD1 ILE 18 0.279 -4.639 2.811 1.00 0.00 2PDD 712 ATOM 296 2HD1 ILE 18 -1.396 -4.503 2.221 1.00 0.00 2PDD 713 ATOM 297 3HD1 ILE 18 -0.043 -4.134 1.157 1.00 0.00 2PDD 714 ATOM 298 N ARG 19 -0.588 -0.873 6.175 1.00 0.00 2PDD 715 ATOM 299 CA ARG 19 -1.729 -0.546 7.074 1.00 0.00 2PDD 716 ATOM 300 C ARG 19 -2.151 0.925 6.974 1.00 0.00 2PDD 717 ATOM 301 O ARG 19 -3.300 1.223 6.722 1.00 0.00 2PDD 718 ATOM 302 CB ARG 19 -1.298 -0.835 8.525 1.00 0.00 2PDD 719 ATOM 303 CG ARG 19 -2.543 -0.914 9.414 1.00 0.00 2PDD 720 ATOM 304 CD ARG 19 -2.137 -1.364 10.828 1.00 0.00 2PDD 721 ATOM 305 NE ARG 19 -1.969 -2.845 10.835 1.00 0.00 2PDD 722 ATOM 306 CZ ARG 19 -2.023 -3.494 11.965 1.00 0.00 2PDD 723 ATOM 307 NH1 ARG 19 -1.195 -3.165 12.920 1.00 0.00 2PDD 724 ATOM 308 NH2 ARG 19 -2.902 -4.448 12.109 1.00 0.00 2PDD 725 ATOM 309 H ARG 19 0.182 -1.372 6.520 1.00 0.00 2PDD 726 ATOM 310 HA ARG 19 -2.572 -1.171 6.818 1.00 0.00 2PDD 727 ATOM 311 1HB ARG 19 -0.778 -1.781 8.558 1.00 0.00 2PDD 728 ATOM 312 2HB ARG 19 -0.664 -0.034 8.873 1.00 0.00 2PDD 729 ATOM 313 1HG ARG 19 -2.998 0.063 9.472 1.00 0.00 2PDD 730 ATOM 314 2HG ARG 19 -3.230 -1.636 8.998 1.00 0.00 2PDD 731 ATOM 315 1HD ARG 19 -1.198 -0.902 11.094 1.00 0.00 2PDD 732 ATOM 316 2HD ARG 19 -2.915 -1.095 11.527 1.00 0.00 2PDD 733 ATOM 317 HE ARG 19 -1.819 -3.329 9.996 1.00 0.00 2PDD 734 ATOM 318 1HH1 ARG 19 -0.528 -2.434 12.775 1.00 0.00 2PDD 735 ATOM 319 2HH1 ARG 19 -1.227 -3.644 13.798 1.00 0.00 2PDD 736 ATOM 320 1HH2 ARG 19 -3.238 -4.943 11.307 1.00 0.00 2PDD 737 ATOM 321 2HH2 ARG 19 -3.241 -4.684 13.019 1.00 0.00 2PDD 738 ATOM 322 N LEU 20 -1.212 1.813 7.169 1.00 0.00 2PDD 739 ATOM 323 CA LEU 20 -1.549 3.259 7.086 1.00 0.00 2PDD 740 ATOM 324 C LEU 20 -2.150 3.631 5.735 1.00 0.00 2PDD 741 ATOM 325 O LEU 20 -3.031 4.464 5.658 1.00 0.00 2PDD 742 ATOM 326 CB LEU 20 -0.259 4.076 7.280 1.00 0.00 2PDD 743 ATOM 327 CG LEU 20 0.439 3.636 8.578 1.00 0.00 2PDD 744 ATOM 328 CD1 LEU 20 1.747 4.436 8.737 1.00 0.00 2PDD 745 ATOM 329 CD2 LEU 20 -0.481 3.912 9.784 1.00 0.00 2PDD 746 ATOM 330 H LEU 20 -0.295 1.529 7.367 1.00 0.00 2PDD 747 ATOM 331 HA LEU 20 -2.250 3.502 7.871 1.00 0.00 2PDD 748 ATOM 332 1HB LEU 20 0.401 3.896 6.445 1.00 0.00 2PDD 749 ATOM 333 2HB LEU 20 -0.514 5.123 7.355 1.00 0.00 2PDD 750 ATOM 334 HG LEU 20 0.672 2.583 8.517 1.00 0.00 2PDD 751 ATOM 335 1HD1 LEU 20 2.212 4.565 7.770 1.00 0.00 2PDD 752 ATOM 336 2HD1 LEU 20 1.534 5.389 9.198 1.00 0.00 2PDD 753 ATOM 337 3HD1 LEU 20 2.409 3.871 9.376 1.00 0.00 2PDD 754 ATOM 338 1HD2 LEU 20 -1.511 3.916 9.460 1.00 0.00 2PDD 755 ATOM 339 2HD2 LEU 20 -0.338 3.118 10.501 1.00 0.00 2PDD 756 ATOM 340 3HD2 LEU 20 -0.210 4.853 10.238 1.00 0.00 2PDD 757 ATOM 341 N VAL 21 -1.676 3.008 4.694 1.00 0.00 2PDD 758 ATOM 342 CA VAL 21 -2.226 3.330 3.351 1.00 0.00 2PDD 759 ATOM 343 C VAL 21 -3.746 3.229 3.354 1.00 0.00 2PDD 760 ATOM 344 O VAL 21 -4.312 2.345 3.965 1.00 0.00 2PDD 761 ATOM 345 CB VAL 21 -1.661 2.337 2.321 1.00 0.00 2PDD 762 ATOM 346 CG1 VAL 21 -2.001 2.834 0.911 1.00 0.00 2PDD 763 ATOM 347 CG2 VAL 21 -0.139 2.261 2.465 1.00 0.00 2PDD 764 ATOM 348 H VAL 21 -0.970 2.337 4.796 1.00 0.00 2PDD 765 ATOM 349 HA VAL 21 -1.927 4.332 3.081 1.00 0.00 2PDD 766 ATOM 350 HB VAL 21 -2.112 1.370 2.475 1.00 0.00 2PDD 767 ATOM 351 1HG1 VAL 21 -3.040 3.123 0.870 1.00 0.00 2PDD 768 ATOM 352 2HG1 VAL 21 -1.385 3.696 0.703 1.00 0.00 2PDD 769 ATOM 353 3HG1 VAL 21 -1.781 2.059 0.191 1.00 0.00 2PDD 770 ATOM 354 1HG2 VAL 21 0.194 2.996 3.182 1.00 0.00 2PDD 771 ATOM 355 2HG2 VAL 21 0.147 1.265 2.766 1.00 0.00 2PDD 772 ATOM 356 3HG2 VAL 21 0.299 2.480 1.503 1.00 0.00 2PDD 773 ATOM 357 N GLN 22 -4.388 4.146 2.658 1.00 0.00 2PDD 774 ATOM 358 CA GLN 22 -5.877 4.129 2.600 1.00 0.00 2PDD 775 ATOM 359 C GLN 22 -6.386 4.529 1.217 1.00 0.00 2PDD 776 ATOM 360 O GLN 22 -7.007 5.559 1.061 1.00 0.00 2PDD 777 ATOM 361 CB GLN 22 -6.383 5.152 3.614 1.00 0.00 2PDD 778 ATOM 362 CG GLN 22 -7.891 4.963 3.820 1.00 0.00 2PDD 779 ATOM 363 CD GLN 22 -8.472 6.189 4.528 1.00 0.00 2PDD 780 ATOM 364 OE1 GLN 22 -9.300 6.077 5.407 1.00 0.00 2PDD 781 ATOM 365 NE2 GLN 22 -8.070 7.377 4.170 1.00 0.00 2PDD 782 ATOM 366 H GLN 22 -3.887 4.838 2.178 1.00 0.00 2PDD 783 ATOM 367 HA GLN 22 -6.235 3.145 2.867 1.00 0.00 2PDD 784 ATOM 368 1HB GLN 22 -5.876 4.998 4.555 1.00 0.00 2PDD 785 ATOM 369 2HB GLN 22 -6.200 6.146 3.234 1.00 0.00 2PDD 786 ATOM 370 1HG GLN 22 -8.369 4.857 2.858 1.00 0.00 2PDD 787 ATOM 371 2HG GLN 22 -8.057 4.094 4.437 1.00 0.00 2PDD 788 ATOM 372 1HE2 GLN 22 -8.438 8.172 4.607 1.00 0.00 2PDD 789 ATOM 373 2HE2 GLN 22 -7.398 7.475 3.463 1.00 0.00 2PDD 790 ATOM 374 N GLY 23 -6.117 3.709 0.235 1.00 0.00 2PDD 791 ATOM 375 CA GLY 23 -6.590 4.045 -1.141 1.00 0.00 2PDD 792 ATOM 376 C GLY 23 -8.067 3.682 -1.274 1.00 0.00 2PDD 793 ATOM 377 O GLY 23 -8.929 4.403 -0.815 1.00 0.00 2PDD 794 ATOM 378 H GLY 23 -5.613 2.885 0.400 1.00 0.00 2PDD 795 ATOM 379 1HA GLY 23 -6.473 5.105 -1.304 1.00 0.00 2PDD 796 ATOM 380 2HA GLY 23 -6.023 3.470 -1.858 1.00 0.00 2PDD 797 ATOM 381 N THR 24 -8.332 2.564 -1.899 1.00 0.00 2PDD 798 ATOM 382 CA THR 24 -9.737 2.139 -2.069 1.00 0.00 2PDD 799 ATOM 383 C THR 24 -10.207 1.448 -0.797 1.00 0.00 2PDD 800 ATOM 384 O THR 24 -11.308 1.656 -0.328 1.00 0.00 2PDD 801 ATOM 385 CB THR 24 -9.783 1.142 -3.230 1.00 0.00 2PDD 802 ATOM 386 OG1 THR 24 -8.524 0.501 -3.212 1.00 0.00 2PDD 803 ATOM 387 CG2 THR 24 -9.822 1.872 -4.582 1.00 0.00 2PDD 804 ATOM 388 H THR 24 -7.603 2.012 -2.252 1.00 0.00 2PDD 805 ATOM 389 HA THR 24 -10.343 2.999 -2.306 1.00 0.00 2PDD 806 ATOM 390 HB THR 24 -10.566 0.418 -3.070 1.00 0.00 2PDD 807 ATOM 391 HG1 THR 24 -8.673 -0.440 -3.090 1.00 0.00 2PDD 808 ATOM 392 1HG2 THR 24 -10.028 2.918 -4.421 1.00 0.00 2PDD 809 ATOM 393 2HG2 THR 24 -8.851 1.769 -5.044 1.00 0.00 2PDD 810 ATOM 394 3HG2 THR 24 -10.568 1.418 -5.217 1.00 0.00 2PDD 811 ATOM 395 N GLY 25 -9.342 0.627 -0.267 1.00 0.00 2PDD 812 ATOM 396 CA GLY 25 -9.671 -0.109 0.971 1.00 0.00 2PDD 813 ATOM 397 C GLY 25 -8.381 -0.603 1.623 1.00 0.00 2PDD 814 ATOM 398 O GLY 25 -7.636 -1.354 1.031 1.00 0.00 2PDD 815 ATOM 399 H GLY 25 -8.470 0.498 -0.692 1.00 0.00 2PDD 816 ATOM 400 1HA GLY 25 -10.178 0.557 1.653 1.00 0.00 2PDD 817 ATOM 401 2HA GLY 25 -10.287 -0.961 0.721 1.00 0.00 2PDD 818 ATOM 402 N LYS 26 -8.130 -0.155 2.824 1.00 0.00 2PDD 819 ATOM 403 CA LYS 26 -6.893 -0.592 3.522 1.00 0.00 2PDD 820 ATOM 404 C LYS 26 -7.029 -2.023 4.028 1.00 0.00 2PDD 821 ATOM 405 O LYS 26 -6.695 -2.323 5.157 1.00 0.00 2PDD 822 ATOM 406 CB LYS 26 -6.650 0.342 4.724 1.00 0.00 2PDD 823 ATOM 407 CG LYS 26 -7.899 0.361 5.616 1.00 0.00 2PDD 824 ATOM 408 CD LYS 26 -7.696 1.386 6.741 1.00 0.00 2PDD 825 ATOM 409 CE LYS 26 -9.004 1.555 7.524 1.00 0.00 2PDD 826 ATOM 410 NZ LYS 26 -9.238 0.381 8.409 1.00 0.00 2PDD 827 ATOM 411 H LYS 26 -8.751 0.464 3.261 1.00 0.00 2PDD 828 ATOM 412 HA LYS 26 -6.061 -0.523 2.839 1.00 0.00 2PDD 829 ATOM 413 1HB LYS 26 -5.813 -0.029 5.295 1.00 0.00 2PDD 830 ATOM 414 2HB LYS 26 -6.459 1.341 4.361 1.00 0.00 2PDD 831 ATOM 415 1HG LYS 26 -8.755 0.650 5.023 1.00 0.00 2PDD 832 ATOM 416 2HG LYS 26 -8.043 -0.618 6.048 1.00 0.00 2PDD 833 ATOM 417 1HD LYS 26 -6.929 1.026 7.409 1.00 0.00 2PDD 834 ATOM 418 2HD LYS 26 -7.418 2.334 6.308 1.00 0.00 2PDD 835 ATOM 419 1HE LYS 26 -8.932 2.440 8.137 1.00 0.00 2PDD 836 ATOM 420 2HE LYS 26 -9.824 1.629 6.825 1.00 0.00 2PDD 837 ATOM 421 1HZ LYS 26 -8.894 -0.481 7.940 1.00 0.00 2PDD 838 ATOM 422 2HZ LYS 26 -8.727 0.515 9.305 1.00 0.00 2PDD 839 ATOM 423 3HZ LYS 26 -10.256 0.290 8.601 1.00 0.00 2PDD 840 ATOM 424 N ASN 27 -7.520 -2.886 3.176 1.00 0.00 2PDD 841 ATOM 425 CA ASN 27 -7.696 -4.312 3.566 1.00 0.00 2PDD 842 ATOM 426 C ASN 27 -7.388 -5.217 2.392 1.00 0.00 2PDD 843 ATOM 427 O ASN 27 -6.614 -4.874 1.523 1.00 0.00 2PDD 844 ATOM 428 CB ASN 27 -9.165 -4.522 3.996 1.00 0.00 2PDD 845 ATOM 429 CG ASN 27 -10.088 -4.386 2.777 1.00 0.00 2PDD 846 ATOM 430 OD1 ASN 27 -10.083 -3.387 2.087 1.00 0.00 2PDD 847 ATOM 431 ND2 ASN 27 -10.892 -5.369 2.478 1.00 0.00 2PDD 848 ATOM 432 H ASN 27 -7.776 -2.592 2.277 1.00 0.00 2PDD 849 ATOM 433 HA ASN 27 -7.043 -4.533 4.397 1.00 0.00 2PDD 850 ATOM 434 1HB ASN 27 -9.276 -5.516 4.406 1.00 0.00 2PDD 851 ATOM 435 2HB ASN 27 -9.433 -3.769 4.721 1.00 0.00 2PDD 852 ATOM 436 1HD2 ASN 27 -11.467 -5.309 1.687 1.00 0.00 2PDD 853 ATOM 437 2HD2 ASN 27 -10.920 -6.168 3.044 1.00 0.00 2PDD 854 ATOM 438 N GLY 28 -7.997 -6.355 2.384 1.00 0.00 2PDD 855 ATOM 439 CA GLY 28 -7.752 -7.298 1.265 1.00 0.00 2PDD 856 ATOM 440 C GLY 28 -7.975 -6.599 -0.081 1.00 0.00 2PDD 857 ATOM 441 O GLY 28 -7.675 -7.150 -1.123 1.00 0.00 2PDD 858 ATOM 442 H GLY 28 -8.614 -6.591 3.108 1.00 0.00 2PDD 859 ATOM 443 1HA GLY 28 -6.728 -7.639 1.316 1.00 0.00 2PDD 860 ATOM 444 2HA GLY 28 -8.446 -8.122 1.348 1.00 0.00 2PDD 861 ATOM 445 N ARG 29 -8.497 -5.388 -0.031 1.00 0.00 2PDD 862 ATOM 446 CA ARG 29 -8.750 -4.629 -1.303 1.00 0.00 2PDD 863 ATOM 447 C ARG 29 -7.696 -3.559 -1.542 1.00 0.00 2PDD 864 ATOM 448 O ARG 29 -7.990 -2.501 -2.067 1.00 0.00 2PDD 865 ATOM 449 CB ARG 29 -10.125 -3.950 -1.196 1.00 0.00 2PDD 866 ATOM 450 CG ARG 29 -11.227 -5.021 -1.130 1.00 0.00 2PDD 867 ATOM 451 CD ARG 29 -11.220 -5.870 -2.422 1.00 0.00 2PDD 868 ATOM 452 NE ARG 29 -12.608 -6.336 -2.698 1.00 0.00 2PDD 869 ATOM 453 CZ ARG 29 -12.918 -6.756 -3.898 1.00 0.00 2PDD 870 ATOM 454 NH1 ARG 29 -12.634 -5.997 -4.920 1.00 0.00 2PDD 871 ATOM 455 NH2 ARG 29 -13.492 -7.918 -4.030 1.00 0.00 2PDD 872 ATOM 456 H ARG 29 -8.718 -4.983 0.835 1.00 0.00 2PDD 873 ATOM 457 HA ARG 29 -8.754 -5.321 -2.132 1.00 0.00 2PDD 874 ATOM 458 1HB ARG 29 -10.155 -3.355 -0.296 1.00 0.00 2PDD 875 ATOM 459 2HB ARG 29 -10.282 -3.335 -2.071 1.00 0.00 2PDD 876 ATOM 460 1HG ARG 29 -11.038 -5.666 -0.285 1.00 0.00 2PDD 877 ATOM 461 2HG ARG 29 -12.186 -4.533 -1.035 1.00 0.00 2PDD 878 ATOM 462 1HD ARG 29 -10.882 -5.262 -3.247 1.00 0.00 2PDD 879 ATOM 463 2HD ARG 29 -10.581 -6.729 -2.283 1.00 0.00 2PDD 880 ATOM 464 HE ARG 29 -13.284 -6.329 -1.988 1.00 0.00 2PDD 881 ATOM 465 1HH1 ARG 29 -12.187 -5.115 -4.779 1.00 0.00 2PDD 882 ATOM 466 2HH1 ARG 29 -12.865 -6.300 -5.846 1.00 0.00 2PDD 883 ATOM 467 1HH2 ARG 29 -13.658 -8.488 -3.225 1.00 0.00 2PDD 884 ATOM 468 2HH2 ARG 29 -13.767 -8.240 -4.935 1.00 0.00 2PDD 885 ATOM 469 N VAL 30 -6.493 -3.852 -1.156 1.00 0.00 2PDD 886 ATOM 470 CA VAL 30 -5.390 -2.864 -1.355 1.00 0.00 2PDD 887 ATOM 471 C VAL 30 -4.833 -3.038 -2.765 1.00 0.00 2PDD 888 ATOM 472 O VAL 30 -4.472 -4.130 -3.157 1.00 0.00 2PDD 889 ATOM 473 CB VAL 30 -4.289 -3.138 -0.290 1.00 0.00 2PDD 890 ATOM 474 CG1 VAL 30 -2.947 -2.544 -0.739 1.00 0.00 2PDD 891 ATOM 475 CG2 VAL 30 -4.703 -2.469 1.024 1.00 0.00 2PDD 892 ATOM 476 H VAL 30 -6.309 -4.718 -0.736 1.00 0.00 2PDD 893 ATOM 477 HA VAL 30 -5.781 -1.866 -1.219 1.00 0.00 2PDD 894 ATOM 478 HB VAL 30 -4.176 -4.206 -0.171 1.00 0.00 2PDD 895 ATOM 479 1HG1 VAL 30 -2.817 -2.705 -1.799 1.00 0.00 2PDD 896 ATOM 480 2HG1 VAL 30 -2.917 -1.493 -0.497 1.00 0.00 2PDD 897 ATOM 481 3HG1 VAL 30 -2.160 -3.056 -0.204 1.00 0.00 2PDD 898 ATOM 482 1HG2 VAL 30 -5.187 -1.528 0.813 1.00 0.00 2PDD 899 ATOM 483 2HG2 VAL 30 -5.355 -3.129 1.575 1.00 0.00 2PDD 900 ATOM 484 3HG2 VAL 30 -3.809 -2.287 1.602 1.00 0.00 2PDD 901 ATOM 485 N LEU 31 -4.765 -1.959 -3.512 1.00 0.00 2PDD 902 ATOM 486 CA LEU 31 -4.228 -2.068 -4.914 1.00 0.00 2PDD 903 ATOM 487 C LEU 31 -2.752 -1.711 -5.001 1.00 0.00 2PDD 904 ATOM 488 O LEU 31 -2.153 -1.261 -4.044 1.00 0.00 2PDD 905 ATOM 489 CB LEU 31 -5.011 -1.089 -5.806 1.00 0.00 2PDD 906 ATOM 490 CG LEU 31 -6.386 -1.678 -6.117 1.00 0.00 2PDD 907 ATOM 491 CD1 LEU 31 -7.189 -1.830 -4.811 1.00 0.00 2PDD 908 ATOM 492 CD2 LEU 31 -7.118 -0.730 -7.071 1.00 0.00 2PDD 909 ATOM 493 H LEU 31 -5.062 -1.093 -3.161 1.00 0.00 2PDD 910 ATOM 494 HA LEU 31 -4.372 -3.077 -5.271 1.00 0.00 2PDD 911 ATOM 495 1HB LEU 31 -5.136 -0.155 -5.281 1.00 0.00 2PDD 912 ATOM 496 2HB LEU 31 -4.472 -0.943 -6.730 1.00 0.00 2PDD 913 ATOM 497 HG LEU 31 -6.260 -2.650 -6.568 1.00 0.00 2PDD 914 ATOM 498 1HD1 LEU 31 -7.129 -0.915 -4.241 1.00 0.00 2PDD 915 ATOM 499 2HD1 LEU 31 -8.213 -2.080 -5.043 1.00 0.00 2PDD 916 ATOM 500 3HD1 LEU 31 -6.748 -2.633 -4.239 1.00 0.00 2PDD 917 ATOM 501 1HD2 LEU 31 -6.403 -0.007 -7.436 1.00 0.00 2PDD 918 ATOM 502 2HD2 LEU 31 -7.513 -1.289 -7.904 1.00 0.00 2PDD 919 ATOM 503 3HD2 LEU 31 -7.902 -0.215 -6.538 1.00 0.00 2PDD 920 ATOM 504 N LYS 32 -2.190 -1.936 -6.161 1.00 0.00 2PDD 921 ATOM 505 CA LYS 32 -0.764 -1.620 -6.354 1.00 0.00 2PDD 922 ATOM 506 C LYS 32 -0.596 -0.117 -6.388 1.00 0.00 2PDD 923 ATOM 507 O LYS 32 0.404 0.415 -5.939 1.00 0.00 2PDD 924 ATOM 508 CB LYS 32 -0.310 -2.210 -7.702 1.00 0.00 2PDD 925 ATOM 509 CG LYS 32 1.187 -1.946 -7.891 1.00 0.00 2PDD 926 ATOM 510 CD LYS 32 1.704 -2.800 -9.054 1.00 0.00 2PDD 927 ATOM 511 CE LYS 32 3.210 -2.569 -9.220 1.00 0.00 2PDD 928 ATOM 512 NZ LYS 32 3.807 -3.637 -10.070 1.00 0.00 2PDD 929 ATOM 513 H LYS 32 -2.716 -2.312 -6.899 1.00 0.00 2PDD 930 ATOM 514 HA LYS 32 -0.193 -2.068 -5.556 1.00 0.00 2PDD 931 ATOM 515 1HB LYS 32 -0.483 -3.276 -7.698 1.00 0.00 2PDD 932 ATOM 516 2HB LYS 32 -0.857 -1.733 -8.501 1.00 0.00 2PDD 933 ATOM 517 1HG LYS 32 1.336 -0.901 -8.124 1.00 0.00 2PDD 934 ATOM 518 2HG LYS 32 1.713 -2.219 -6.989 1.00 0.00 2PDD 935 ATOM 519 1HD LYS 32 1.528 -3.843 -8.834 1.00 0.00 2PDD 936 ATOM 520 2HD LYS 32 1.198 -2.506 -9.962 1.00 0.00 2PDD 937 ATOM 521 1HE LYS 32 3.368 -1.615 -9.700 1.00 0.00 2PDD 938 ATOM 522 2HE LYS 32 3.680 -2.598 -8.248 1.00 0.00 2PDD 939 ATOM 523 1HZ LYS 32 3.371 -4.550 -9.835 1.00 0.00 2PDD 940 ATOM 524 2HZ LYS 32 3.634 -3.419 -11.072 1.00 0.00 2PDD 941 ATOM 525 3HZ LYS 32 4.830 -3.687 -9.897 1.00 0.00 2PDD 942 ATOM 526 N GLU 33 -1.588 0.546 -6.928 1.00 0.00 2PDD 943 ATOM 527 CA GLU 33 -1.525 2.019 -7.010 1.00 0.00 2PDD 944 ATOM 528 C GLU 33 -1.908 2.612 -5.667 1.00 0.00 2PDD 945 ATOM 529 O GLU 33 -1.782 3.799 -5.441 1.00 0.00 2PDD 946 ATOM 530 CB GLU 33 -2.532 2.490 -8.072 1.00 0.00 2PDD 947 ATOM 531 CG GLU 33 -2.222 1.793 -9.396 1.00 0.00 2PDD 948 ATOM 532 CD GLU 33 -2.991 2.473 -10.532 1.00 0.00 2PDD 949 ATOM 533 OE1 GLU 33 -3.801 3.324 -10.204 1.00 0.00 2PDD 950 ATOM 534 OE2 GLU 33 -2.726 2.101 -11.662 1.00 0.00 2PDD 951 ATOM 535 H GLU 33 -2.369 0.067 -7.277 1.00 0.00 2PDD 952 ATOM 536 HA GLU 33 -0.530 2.314 -7.302 1.00 0.00 2PDD 953 ATOM 537 1HB GLU 33 -3.530 2.227 -7.757 1.00 0.00 2PDD 954 ATOM 538 2HB GLU 33 -2.437 3.558 -8.202 1.00 0.00 2PDD 955 ATOM 539 1HG GLU 33 -1.164 1.870 -9.599 1.00 0.00 2PDD 956 ATOM 540 2HG GLU 33 -2.533 0.761 -9.334 1.00 0.00 2PDD 957 ATOM 541 N ASP 34 -2.368 1.755 -4.792 1.00 0.00 2PDD 958 ATOM 542 CA ASP 34 -2.772 2.208 -3.455 1.00 0.00 2PDD 959 ATOM 543 C ASP 34 -1.547 2.718 -2.699 1.00 0.00 2PDD 960 ATOM 544 O ASP 34 -1.530 3.831 -2.196 1.00 0.00 2PDD 961 ATOM 545 CB ASP 34 -3.370 0.971 -2.724 1.00 0.00 2PDD 962 ATOM 546 CG ASP 34 -4.462 1.397 -1.756 1.00 0.00 2PDD 963 ATOM 547 OD1 ASP 34 -4.196 2.321 -1.005 1.00 0.00 2PDD 964 ATOM 548 OD2 ASP 34 -5.506 0.760 -1.812 1.00 0.00 2PDD 965 ATOM 549 H ASP 34 -2.444 0.808 -5.031 1.00 0.00 2PDD 966 ATOM 550 HA ASP 34 -3.523 2.977 -3.547 1.00 0.00 2PDD 967 ATOM 551 1HB ASP 34 -3.801 0.305 -3.457 1.00 0.00 2PDD 968 ATOM 552 2HB ASP 34 -2.587 0.481 -2.165 1.00 0.00 2PDD 969 ATOM 553 N ILE 35 -0.540 1.888 -2.645 1.00 0.00 2PDD 970 ATOM 554 CA ILE 35 0.690 2.279 -1.946 1.00 0.00 2PDD 971 ATOM 555 C ILE 35 1.497 3.267 -2.782 1.00 0.00 2PDD 972 ATOM 556 O ILE 35 2.137 4.159 -2.257 1.00 0.00 2PDD 973 ATOM 557 CB ILE 35 1.525 1.017 -1.708 1.00 0.00 2PDD 974 ATOM 558 CG1 ILE 35 0.628 -0.088 -1.140 1.00 0.00 2PDD 975 ATOM 559 CG2 ILE 35 2.637 1.365 -0.686 1.00 0.00 2PDD 976 ATOM 560 CD1 ILE 35 1.472 -1.198 -0.511 1.00 0.00 2PDD 977 ATOM 561 H ILE 35 -0.605 1.008 -3.071 1.00 0.00 2PDD 978 ATOM 562 HA ILE 35 0.432 2.725 -0.999 1.00 0.00 2PDD 979 ATOM 563 HB ILE 35 1.943 0.687 -2.646 1.00 0.00 2PDD 980 ATOM 564 1HG1 ILE 35 -0.011 0.337 -0.381 1.00 0.00 2PDD 981 ATOM 565 2HG1 ILE 35 0.043 -0.509 -1.945 1.00 0.00 2PDD 982 ATOM 566 1HG2 ILE 35 3.098 2.302 -0.959 1.00 0.00 2PDD 983 ATOM 567 2HG2 ILE 35 2.215 1.411 0.306 1.00 0.00 2PDD 984 ATOM 568 3HG2 ILE 35 3.380 0.580 -0.721 1.00 0.00 2PDD 985 ATOM 569 1HD1 ILE 35 2.181 -0.766 0.179 1.00 0.00 2PDD 986 ATOM 570 2HD1 ILE 35 0.826 -1.906 -0.016 1.00 0.00 2PDD 987 ATOM 571 3HD1 ILE 35 2.008 -1.699 -1.304 1.00 0.00 2PDD 988 ATOM 572 N ASP 36 1.452 3.100 -4.074 1.00 0.00 2PDD 989 ATOM 573 CA ASP 36 2.213 4.028 -4.944 1.00 0.00 2PDD 990 ATOM 574 C ASP 36 1.895 5.463 -4.569 1.00 0.00 2PDD 991 ATOM 575 O ASP 36 2.765 6.304 -4.504 1.00 0.00 2PDD 992 ATOM 576 CB ASP 36 1.785 3.797 -6.401 1.00 0.00 2PDD 993 ATOM 577 CG ASP 36 2.718 4.573 -7.332 1.00 0.00 2PDD 994 ATOM 578 OD1 ASP 36 3.824 4.091 -7.516 1.00 0.00 2PDD 995 ATOM 579 OD2 ASP 36 2.271 5.607 -7.809 1.00 0.00 2PDD 996 ATOM 580 H ASP 36 0.926 2.371 -4.465 1.00 0.00 2PDD 997 ATOM 581 HA ASP 36 3.267 3.822 -4.843 1.00 0.00 2PDD 998 ATOM 582 1HB ASP 36 1.858 2.745 -6.631 1.00 0.00 2PDD 999 ATOM 583 2HB ASP 36 0.776 4.157 -6.538 1.00 0.00 2PDD1000 ATOM 584 N ALA 37 0.637 5.717 -4.321 1.00 0.00 2PDD1001 ATOM 585 CA ALA 37 0.228 7.086 -3.948 1.00 0.00 2PDD1002 ATOM 586 C ALA 37 0.688 7.428 -2.527 1.00 0.00 2PDD1003 ATOM 587 O ALA 37 1.014 8.560 -2.237 1.00 0.00 2PDD1004 ATOM 588 CB ALA 37 -1.305 7.166 -4.003 1.00 0.00 2PDD1005 ATOM 589 H ALA 37 -0.030 5.003 -4.381 1.00 0.00 2PDD1006 ATOM 590 HA ALA 37 0.650 7.786 -4.653 1.00 0.00 2PDD1007 ATOM 591 1HB ALA 37 -1.702 6.231 -4.369 1.00 0.00 2PDD1008 ATOM 592 2HB ALA 37 -1.691 7.398 -3.022 1.00 0.00 2PDD1009 ATOM 593 3HB ALA 37 -1.574 7.958 -4.686 1.00 0.00 2PDD1010 ATOM 594 N PHE 38 0.705 6.435 -1.670 1.00 0.00 2PDD1011 ATOM 595 CA PHE 38 1.141 6.682 -0.266 1.00 0.00 2PDD1012 ATOM 596 C PHE 38 2.366 7.572 -0.194 1.00 0.00 2PDD1013 ATOM 597 O PHE 38 2.313 8.678 0.305 1.00 0.00 2PDD1014 ATOM 598 CB PHE 38 1.531 5.353 0.368 1.00 0.00 2PDD1015 ATOM 599 CG PHE 38 1.869 5.591 1.828 1.00 0.00 2PDD1016 ATOM 600 CD1 PHE 38 0.862 5.717 2.749 1.00 0.00 2PDD1017 ATOM 601 CD2 PHE 38 3.188 5.661 2.245 1.00 0.00 2PDD1018 ATOM 602 CE1 PHE 38 1.153 5.905 4.082 1.00 0.00 2PDD1019 ATOM 603 CE2 PHE 38 3.482 5.850 3.581 1.00 0.00 2PDD1020 ATOM 604 CZ PHE 38 2.466 5.974 4.499 1.00 0.00 2PDD1021 ATOM 605 H PHE 38 0.432 5.537 -1.951 1.00 0.00 2PDD1022 ATOM 606 HA PHE 38 0.322 7.116 0.286 1.00 0.00 2PDD1023 ATOM 607 1HB PHE 38 0.700 4.668 0.305 1.00 0.00 2PDD1024 ATOM 608 2HB PHE 38 2.400 4.957 -0.134 1.00 0.00 2PDD1025 ATOM 609 HD1 PHE 38 -0.168 5.670 2.427 1.00 0.00 2PDD1026 ATOM 610 HD2 PHE 38 3.987 5.567 1.525 1.00 0.00 2PDD1027 ATOM 611 HE1 PHE 38 0.352 5.997 4.801 1.00 0.00 2PDD1028 ATOM 612 HE2 PHE 38 4.510 5.900 3.906 1.00 0.00 2PDD1029 ATOM 613 HZ PHE 38 2.694 6.127 5.545 1.00 0.00 2PDD1030 ATOM 614 N LEU 39 3.455 7.060 -0.692 1.00 0.00 2PDD1031 ATOM 615 CA LEU 39 4.706 7.848 -0.663 1.00 0.00 2PDD1032 ATOM 616 C LEU 39 4.690 9.012 -1.658 1.00 0.00 2PDD1033 ATOM 617 O LEU 39 5.115 10.104 -1.336 1.00 0.00 2PDD1034 ATOM 618 CB LEU 39 5.871 6.899 -1.009 1.00 0.00 2PDD1035 ATOM 619 CG LEU 39 7.211 7.517 -0.516 1.00 0.00 2PDD1036 ATOM 620 CD1 LEU 39 7.436 7.168 0.966 1.00 0.00 2PDD1037 ATOM 621 CD2 LEU 39 8.368 6.935 -1.338 1.00 0.00 2PDD1038 ATOM 622 H LEU 39 3.446 6.160 -1.082 1.00 0.00 2PDD1039 ATOM 623 HA LEU 39 4.850 8.253 0.326 1.00 0.00 2PDD1040 ATOM 624 1HB LEU 39 5.713 5.954 -0.512 1.00 0.00 2PDD1041 ATOM 625 2HB LEU 39 5.915 6.771 -2.080 1.00 0.00 2PDD1042 ATOM 626 HG LEU 39 7.164 8.590 -0.620 1.00 0.00 2PDD1043 ATOM 627 1HD1 LEU 39 7.307 6.106 1.110 1.00 0.00 2PDD1044 ATOM 628 2HD1 LEU 39 8.449 7.440 1.224 1.00 0.00 2PDD1045 ATOM 629 3HD1 LEU 39 6.749 7.732 1.579 1.00 0.00 2PDD1046 ATOM 630 1HD2 LEU 39 8.044 6.774 -2.355 1.00 0.00 2PDD1047 ATOM 631 2HD2 LEU 39 9.176 7.652 -1.333 1.00 0.00 2PDD1048 ATOM 632 3HD2 LEU 39 8.707 6.015 -0.888 1.00 0.00 2PDD1049 ATOM 633 N ALA 40 4.208 8.761 -2.850 1.00 0.00 2PDD1050 ATOM 634 CA ALA 40 4.164 9.853 -3.866 1.00 0.00 2PDD1051 ATOM 635 C ALA 40 3.702 11.172 -3.249 1.00 0.00 2PDD1052 ATOM 636 O ALA 40 4.292 12.207 -3.483 1.00 0.00 2PDD1053 ATOM 637 CB ALA 40 3.168 9.463 -4.961 1.00 0.00 2PDD1054 ATOM 638 H ALA 40 3.878 7.866 -3.072 1.00 0.00 2PDD1055 ATOM 639 HA ALA 40 5.146 9.971 -4.299 1.00 0.00 2PDD1056 ATOM 640 1HB ALA 40 3.405 8.476 -5.330 1.00 0.00 2PDD1057 ATOM 641 2HB ALA 40 2.164 9.501 -4.567 1.00 0.00 2PDD1058 ATOM 642 3HB ALA 40 3.261 10.175 -5.767 1.00 0.00 2PDD1059 ATOM 643 N GLY 41 2.653 11.112 -2.480 1.00 0.00 2PDD1060 ATOM 644 CA GLY 41 2.139 12.358 -1.842 1.00 0.00 2PDD1061 ATOM 645 C GLY 41 3.288 13.148 -1.209 1.00 0.00 2PDD1062 ATOM 646 O GLY 41 3.309 14.362 -1.262 1.00 0.00 2PDD1063 ATOM 647 H GLY 41 2.204 10.255 -2.322 1.00 0.00 2PDD1064 ATOM 648 1HA GLY 41 1.674 12.970 -2.601 1.00 0.00 2PDD1065 ATOM 649 2HA GLY 41 1.435 12.088 -1.069 1.00 0.00 2PDD1066 ATOM 650 N GLY 42 4.219 12.442 -0.622 1.00 0.00 2PDD1067 ATOM 651 CA GLY 42 5.376 13.135 0.021 1.00 0.00 2PDD1068 ATOM 652 C GLY 42 5.015 13.580 1.440 1.00 0.00 2PDD1069 ATOM 653 O GLY 42 5.168 12.833 2.388 1.00 0.00 2PDD1070 ATOM 654 H GLY 42 4.159 11.464 -0.605 1.00 0.00 2PDD1071 ATOM 655 1HA GLY 42 6.205 12.447 0.074 1.00 0.00 2PDD1072 ATOM 656 2HA GLY 42 5.625 14.008 -0.563 1.00 0.00 2PDD1073 ATOM 657 N ALA 43 4.538 14.790 1.558 1.00 0.00 2PDD1074 ATOM 658 CA ALA 43 4.162 15.304 2.904 1.00 0.00 2PDD1075 ATOM 659 C ALA 43 3.200 16.478 2.781 1.00 0.00 2PDD1076 ATOM 660 CB ALA 43 5.438 15.786 3.615 1.00 0.00 2PDD1077 ATOM 661 H ALA 43 4.429 15.356 0.767 1.00 0.00 2PDD1078 ATOM 662 HA ALA 43 3.712 14.505 3.473 1.00 0.00 2PDD1079 ATOM 663 1HB ALA 43 6.233 15.094 3.378 1.00 0.00 2PDD1080 ATOM 664 2HB ALA 43 5.703 16.769 3.255 1.00 0.00 2PDD1081 ATOM 665 3HB ALA 43 5.277 15.791 4.682 1.00 0.00 2PDD1082 TER 666 ALA 43 2PDD1083 ENDMDL 2PDD1084 END