HEADER CELL ADHESION PROTEIN 23-MAR-95 1NCI 1NCI 2 COMPND MOLECULE: N-CADHERIN; 1NCI 3 COMPND 2 DOMAIN: DOMAIN 1 CONSISTING OF RESIDUES 1 - 108; 1NCI 4 COMPND 3 SYNONYMS: NEURAL CADHERIN DOMAIN 1, NCD1; 1NCI 5 COMPND 4 MUTATION: PCR MUTATION D27G, CLONING ARTIFACT GIVES TWO 1NCI 6 COMPND 5 EXTRA RESIDUES (GLY-SER) AT N-TERMINUS (INS(G-2,S-1)) 1NCI 7 SOURCE MOLECULE: N-CADHERIN; 1NCI 8 SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; 1NCI 9 SOURCE 3 ORGANISM_COMMON: MOUSE; 1NCI 10 SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; 1NCI 11 SOURCE 5 EXPRESSION_SYSTEM_PLASMID: PGEX-2T 1NCI 12 KEYWDS CADHERIN 1NCI 13 EXPDTA SYNCHROTRON X-RAY DIFFRACTION 1NCI 14 AUTHOR L.SHAPIRO,A.M.FANNON,P.D.KWONG,A.THOMPSON,M.S.LEHMANN, 1NCI 15 AUTHOR 2 G.GRUBEL,J.-F.LEGRAND,J.ALS-NIELSEN,D.R.COLMAN, 1NCI 16 AUTHOR 3 W.A.HENDRICKSON 1NCI 17 REVDAT 1 10-JUL-95 1NCI 0 1NCI 18 JRNL AUTH L.SHAPIRO,A.M.FANNON,P.D.KWONG,A.THOMPSON, 1NCI 19 JRNL AUTH 2 M.S.LEHMANN,G.GRUBEL,J.-F.LEGRAND,J.ALS-NIELSEN, 1NCI 20 JRNL AUTH 3 D.R.COLMAN,W.A.HENDRICKSON 1NCI 21 JRNL TITL STRUCTURAL BASIS OF CELL-CELL ADHESION BY CADHERINS 1NCI 22 JRNL REF NATURE V. 374 327 1995 1NCI 23 JRNL REFN ASTM NATUAS UK ISSN 0028-0836 0006 1NCI 24 REMARK 1 1NCI 25 REMARK 2 1NCI 26 REMARK 2 RESOLUTION. 1.9 ANGSTROMS. 1NCI 27 REMARK 3 1NCI 28 REMARK 3 REFINEMENT. 1NCI 29 REMARK 3 PROGRAM X-PLOR 1NCI 30 REMARK 3 AUTHORS BRUNGER 1NCI 31 REMARK 3 R VALUE 0.195 1NCI 32 REMARK 3 FREE R VALUE 0.253 1NCI 33 REMARK 3 MEAN B VALUE 17.1 ANGSTROMS**2 1NCI 34 REMARK 3 FINAL RMS COORD. SHIFT 0.14 ANGSTROMS 1NCI 35 REMARK 3 RMSD BOND DISTANCES 0.013 ANGSTROMS 1NCI 36 REMARK 3 RMSD BOND ANGLES 1.81 DEGREES 1NCI 37 REMARK 3 1NCI 38 REMARK 3 NUMBER OF REFLECTIONS 31010 1NCI 39 REMARK 3 RESOLUTION RANGE 5.0 - 2.1 ANGSTROMS 1NCI 40 REMARK 3 DATA CUTOFF 2.0 SIGMA(F) 1NCI 41 REMARK 3 COMPLETENESS FOR RANGE 96.2 % 1NCI 42 REMARK 3 1NCI 43 REMARK 3 DATA COLLECTION. 1NCI 44 REMARK 3 NUMBER OF UNIQUE REFLECTIONS 33075 1NCI 45 REMARK 3 COMPLETENESS OF DATA 95.7 % 1NCI 46 REMARK 3 REJECTION CRITERIA 2. SIGMA(I) 1NCI 47 REMARK 3 1NCI 48 REMARK 3 NUMBER OF ATOMS USED IN REFINEMENT. 1NCI 49 REMARK 3 NUMBER OF PROTEIN ATOMS 1556 1NCI 50 REMARK 3 NUMBER OF NUCLEIC ACID ATOMS 0 1NCI 51 REMARK 3 NUMBER OF HETEROGEN ATOMS 3 1NCI 52 REMARK 3 NUMBER OF SOLVENT ATOMS 316 1NCI 53 REMARK 4 1NCI 54 REMARK 4 THIS ENTRY PRESENTS CRYSTAL FORM C AS DESCRIBED IN THE 1NCI 55 REMARK 4 PAPER CITED IN JRNL RECORDS ABOVE. 1NCI 56 REMARK 5 1NCI 57 REMARK 5 RESIDUE NUMBERING IS FOR THE MATURE PROTEIN. 1NCI 58 REMARK 6 1NCI 59 REMARK 6 THE FIRST TWO N-TERMINAL RESIDUES (GLY -2 AND SER -1) 1NCI 60 REMARK 6 ARE DUE TO A CLONING ARTIFACT. THE MUTATION ASP 27 TO 1NCI 61 REMARK 6 GLY IS DUE TO A CLONING ARTIFACT. 1NCI 62 REMARK 7 1NCI 63 REMARK 7 RESIDUES 27 - 32 OF MOLECULE B ARE DISORDERED. 1NCI 64 REMARK 7 1NCI 65 REMARK 7 THE FOLLOWING RESIDUES ARE MISSING FROM 1NCI 66 REMARK 7 THE C-TERMINUS OF BOTH MOLECULES A AND B: 1NCI 67 REMARK 7 MET 101 1NCI 68 REMARK 7 ASN 102 1NCI 69 REMARK 7 ASP 103 1NCI 70 REMARK 7 ARG 104 1NCI 71 REMARK 7 ASN 105 1NCI 72 REMARK 7 PRO 106 1NCI 73 REMARK 7 GLU 107 1NCI 74 REMARK 7 PHE 108 1NCI 75 REMARK 7 1NCI 76 REMARK 7 SIDE CHAINS OF THE FOLLOWING RESIDUES WERE NOT 1NCI 77 REMARK 7 MODELED PAST THE BETA CARBON DUE TO POOR DENSITY: 1NCI 78 REMARK 7 GLU A 69 1NCI 79 REMARK 7 ARG B 25 1NCI 80 REMARK 7 GLU B 69 1NCI 81 REMARK 8 1NCI 82 REMARK 8 THE MODEL INCLUDES ONE URANYL ION (UO2 2+) BOUND AT THE 1NCI 83 REMARK 8 PUTATIVE CALCIUM BINDING SITE. 1NCI 84 REMARK 9 1NCI 85 REMARK 9 THE ASYMMETRIC UNIT (MOLECULES A AND B) COMPRISE A CADHERIN 1NCI 86 REMARK 9 STRAND DIMER. AN ADHESION DIMER IS FORMED, FOR EXAMPLE, 1NCI 87 REMARK 9 BETWEEN MOLECULE A AND THE (X + 1/2, 3/2 - Y, -1 -Z) 1NCI 88 REMARK 9 SYMMETRY MATE OF MOLECULE B. 1NCI 89 REMARK 10 1NCI 90 REMARK 10 RESIDUES 27 - 32 IN CHAIN B ARE DISORDERED. 1NCI 91 REMARK 11 1NCI 92 REMARK 11 SYMMETRY 1NCI 93 REMARK 11 THE CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS PRESENTED 1NCI 94 REMARK 11 BELOW GENERATE THE SUBUNITS OF THE POLYMERIC MOLECULE. 1NCI 95 REMARK 11 1NCI 96 REMARK 11 APPLIED TO RESIDUES: B 1 .. 100 1NCI 97 REMARK 11 1NCI 98 REMARK 11 ADHESION DIMER MATE OF MOLECULE A IS A SYMMETRY-MATE OF 1NCI 99 REMARK 11 MOLECULE B, AND CAN BE GENERATED BY THE FOLLOWING 1NCI 100 REMARK 11 TRANSFORMATION: 1NCI 101 REMARK 11 1NCI 102 REMARK 11 SYMMETRY1 1 1.000000 0.000000 0.000000 37.60000 1NCI 103 REMARK 11 SYMMETRY2 1 0.000000 1.500000 0.000000 86.25000 1NCI 104 REMARK 11 SYMMETRY3 1 0.000000 0.000000 1.000000 -52.50000 1NCI 105 REMARK 12 1NCI 106 REMARK 12 RESIDUES ILE 24, SER 26, SER 33, LEU 70 AND ILE 96 OF 1NCI 107 REMARK 12 MOLECULE A AND RESIDUES SER 26, SER 37, GLN 59 AND ILE 94 1NCI 108 REMARK 12 OF MOLECULE B HAVE BEEN MODELED WITH TWO SIDE CHAIN 1NCI 109 REMARK 12 CONFORMATIONS. 1NCI 110 REMARK 13 1NCI 111 REMARK 13 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED 1NCI 112 REMARK 13 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE 1NCI 113 REMARK 13 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL 1NCI 114 REMARK 13 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE 1NCI 115 REMARK 13 NUMBER; I=INSERTION CODE): 1NCI 116 REMARK 13 1NCI 117 REMARK 13 M RES CSSEQI 1NCI 118 REMARK 13 0 HOH 299 DISTANCE = 30.53 ANGSTROMS 1NCI 119 REMARK 18 1NCI 120 REMARK 18 EXPERIMENTAL DETAILS 1NCI 121 REMARK 18 DATE OF DATA COLLECTION : AUG-94 1NCI 122 REMARK 18 SOURCE : NSLS 1NCI 123 REMARK 18 BEAMLINE : X4A 1NCI 124 REMARK 18 WAVELENGTH OR RANGE (A) : 0.7217 - 0.7263 1NCI 125 REMARK 18 DETECTOR TYPE : IMAGE PLATE 1NCI 126 REMARK 18 DETECTOR MANUFACTURER : FUJI 1NCI 127 REMARK 18 INTENSITY-INTEGRATION SOFTWARE : DENZO 1NCI 128 REMARK 18 MERGING R VALUE (INTENSITY) : 0.038 1NCI 129 REMARK 18 1NCI 130 REMARK 18 5 WAVELENGTH MAD EXPERIMENT TAKEN NEAR URANIUM L(III) 1NCI 131 REMARK 18 EDGE 1NCI 132 REMARK 18 1NCI 133 REMARK 18 MULTI-WAVELENGTH (MAD) DATA SET (5 WAVELENGTHS) 1NCI 134 REMARK 18 NEAR URANIUM LIII ABSORPTION EDGE 1NCI 135 REMARK 999 1NCI 136 REMARK 999 CROSS REFERENCE TO SEQUENCE DATABASE 1NCI 137 REMARK 999 SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME 1NCI 138 REMARK 999 CADN_MOUSE 1NCI 139 REMARK 999 1NCI 140 REMARK 999 SEQUENCE 1NCI 141 REMARK 999 REFERENCE 1NCI 142 REMARK 999 DATABASE: PIR-PROTEIN 1NCI 143 REMARK 999 ENTRY_NAME: A32759 1NCI 144 SEQRES 1 A 110 GLY SER ASP TRP VAL ILE PRO PRO ILE ASN LEU PRO GLU 1NCI 145 SEQRES 2 A 110 ASN SER ARG GLY PRO PHE PRO GLN GLU LEU VAL ARG ILE 1NCI 146 SEQRES 3 A 110 ARG SER GLY ARG ASP LYS ASN LEU SER LEU ARG TYR SER 1NCI 147 SEQRES 4 A 110 VAL THR GLY PRO GLY ALA ASP GLN PRO PRO THR GLY ILE 1NCI 148 SEQRES 5 A 110 PHE ILE ILE ASN PRO ILE SER GLY GLN LEU SER VAL THR 1NCI 149 SEQRES 6 A 110 LYS PRO LEU ASP ARG GLU LEU ILE ALA ARG PHE HIS LEU 1NCI 150 SEQRES 7 A 110 ARG ALA HIS ALA VAL ASP ILE ASN GLY ASN GLN VAL GLU 1NCI 151 SEQRES 8 A 110 ASN PRO ILE ASP ILE VAL ILE ASN VAL ILE ASP MET ASN 1NCI 152 SEQRES 9 A 110 ASP ASN ARG PRO GLU PHE 1NCI 153 SEQRES 1 B 110 GLY SER ASP TRP VAL ILE PRO PRO ILE ASN LEU PRO GLU 1NCI 154 SEQRES 2 B 110 ASN SER ARG GLY PRO PHE PRO GLN GLU LEU VAL ARG ILE 1NCI 155 SEQRES 3 B 110 ARG SER GLY ARG ASP LYS ASN LEU SER LEU ARG TYR SER 1NCI 156 SEQRES 4 B 110 VAL THR GLY PRO GLY ALA ASP GLN PRO PRO THR GLY ILE 1NCI 157 SEQRES 5 B 110 PHE ILE ILE ASN PRO ILE SER GLY GLN LEU SER VAL THR 1NCI 158 SEQRES 6 B 110 LYS PRO LEU ASP ARG GLU LEU ILE ALA ARG PHE HIS LEU 1NCI 159 SEQRES 7 B 110 ARG ALA HIS ALA VAL ASP ILE ASN GLY ASN GLN VAL GLU 1NCI 160 SEQRES 8 B 110 ASN PRO ILE ASP ILE VAL ILE ASN VAL ILE ASP MET ASN 1NCI 161 SEQRES 9 B 110 ASP ASN ARG PRO GLU PHE 1NCI 162 FTNOTE 1 1NCI 163 FTNOTE 1 CIS PROLINE - PRO A 16 1NCI 164 FTNOTE 2 1NCI 165 FTNOTE 2 CIS PROLINE - PRO A 18 1NCI 166 FTNOTE 3 1NCI 167 FTNOTE 3 CIS PROLINE - PRO A 47 1NCI 168 FTNOTE 4 1NCI 169 FTNOTE 4 CIS PROLINE - PRO B 16 1NCI 170 FTNOTE 5 1NCI 171 FTNOTE 5 CIS PROLINE - PRO B 18 1NCI 172 FTNOTE 6 1NCI 173 FTNOTE 6 CIS PROLINE - PRO B 47 1NCI 174 HET IUM 300 3 URANYL(VI) ION 1NCI 175 FORMUL 3 IUM O2 U1 2+ 1NCI 176 FORMUL 4 HOH *315(H2 O1) 1NCI 177 HELIX 1 1 GLY A 27 LYS A 30 5 1NCI 178 SHEET 1 A 4 ILE A 7 PRO A 10 0 1NCI 179 SHEET 2 A 4 ILE A 92 ILE A 99 1 N ASN A 97 O ILE A 7 1NCI 180 SHEET 3 A 4 ARG A 73 VAL A 81 -1 N ALA A 78 O ILE A 92 1NCI 181 SHEET 4 A 4 ARG A 35 THR A 39 -1 N THR A 39 O ARG A 77 1NCI 182 SHEET 1 B 3 PHE A 51 ILE A 53 0 1NCI 183 SHEET 2 B 3 GLN A 59 VAL A 62 -1 N SER A 61 O ILE A 52 1NCI 184 SHEET 3 B 3 GLN A 19 ARG A 23 -1 N VAL A 22 O LEU A 60 1NCI 185 SHEET 1 C 4 ILE B 7 PRO B 10 0 1NCI 186 SHEET 2 C 4 ILE B 92 ILE B 99 1 N ASN B 97 O ILE B 7 1NCI 187 SHEET 3 C 4 ARG B 73 ASP B 82 -1 N ALA B 78 O ILE B 92 1NCI 188 SHEET 4 C 4 LEU B 34 THR B 39 -1 N THR B 39 O ARG B 77 1NCI 189 SHEET 1 D 3 PHE B 51 ILE B 53 0 1NCI 190 SHEET 2 D 3 GLN B 59 VAL B 62 -1 N SER B 61 O ILE B 52 1NCI 191 SHEET 3 D 3 GLN B 19 ARG B 23 -1 N VAL B 22 O LEU B 60 1NCI 192 SITE 1 UO2 1 IUM 300 1NCI 193 CRYST1 75.200 57.500 52.500 90.00 90.00 90.00 P 21 21 2 8 1NCI 194 ORIGX1 1.000000 0.000000 0.000000 0.00000 1NCI 195 ORIGX2 0.000000 1.000000 0.000000 0.00000 1NCI 196 ORIGX3 0.000000 0.000000 1.000000 0.00000 1NCI 197 SCALE1 0.013298 0.000000 0.000000 0.00000 1NCI 198 SCALE2 0.000000 0.017391 0.000000 0.00000 1NCI 199 SCALE3 0.000000 0.000000 0.019048 0.00000 1NCI 200 ATOM 1 N GLY A -2 16.731 47.766 -23.169 1.00 31.68 1NCI 201 ATOM 2 CA GLY A -2 16.022 46.730 -22.369 1.00 31.32 1NCI 202 ATOM 3 C GLY A -2 16.953 45.739 -21.702 1.00 31.19 1NCI 203 ATOM 4 O GLY A -2 18.000 45.454 -22.265 1.00 31.88 1NCI 204 ATOM 5 N SER A -1 16.444 45.064 -20.665 1.00 31.20 1NCI 205 ATOM 6 CA SER A -1 17.173 44.090 -19.817 1.00 30.28 1NCI 206 ATOM 7 C SER A -1 17.940 42.898 -20.398 1.00 29.37 1NCI 207 ATOM 8 O SER A -1 18.670 42.256 -19.650 1.00 29.70 1NCI 208 ATOM 9 CB SER A -1 16.248 43.575 -18.698 1.00 31.79 1NCI 209 ATOM 10 OG SER A -1 15.674 44.636 -17.943 1.00 32.39 1NCI 210 ATOM 11 N ASP A 1 17.592 42.473 -21.613 1.00 27.70 1NCI 211 ATOM 12 CA ASP A 1 18.292 41.412 -22.352 1.00 26.35 1NCI 212 ATOM 13 C ASP A 1 17.602 40.832 -23.552 1.00 24.16 1NCI 213 ATOM 14 O ASP A 1 16.786 39.901 -23.493 1.00 23.51 1NCI 214 ATOM 15 CB ASP A 1 18.882 40.300 -21.539 1.00 28.48 1NCI 215 ATOM 16 CG ASP A 1 19.923 39.555 -22.328 1.00 29.30 1NCI 216 ATOM 17 OD1 ASP A 1 21.040 40.076 -22.452 1.00 31.54 1NCI 217 ATOM 18 OD2 ASP A 1 19.640 38.487 -22.882 1.00 28.62 1NCI 218 ATOM 19 N TRP A 2 18.073 41.333 -24.670 1.00 21.44 1NCI 219 ATOM 20 CA TRP A 2 17.557 41.016 -25.961 1.00 19.95 1NCI 220 ATOM 21 C TRP A 2 18.726 40.659 -26.850 1.00 20.04 1NCI 221 ATOM 22 O TRP A 2 19.860 41.115 -26.613 1.00 20.21 1NCI 222 ATOM 23 CB TRP A 2 16.860 42.270 -26.468 1.00 16.74 1NCI 223 ATOM 24 CG TRP A 2 15.696 42.673 -25.571 1.00 13.87 1NCI 224 ATOM 25 CD1 TRP A 2 15.737 43.458 -24.461 1.00 12.06 1NCI 225 ATOM 26 CD2 TRP A 2 14.336 42.326 -25.770 1.00 12.77 1NCI 226 ATOM 27 NE1 TRP A 2 14.477 43.631 -23.956 1.00 11.32 1NCI 227 ATOM 28 CE2 TRP A 2 13.589 42.955 -24.748 1.00 12.41 1NCI 228 ATOM 29 CE3 TRP A 2 13.664 41.550 -26.731 1.00 12.18 1NCI 229 ATOM 30 CZ2 TRP A 2 12.195 42.838 -24.656 1.00 11.46 1NCI 230 ATOM 31 CZ3 TRP A 2 12.292 41.430 -26.648 1.00 10.98 1NCI 231 ATOM 32 CH2 TRP A 2 11.567 42.071 -25.623 1.00 11.92 1NCI 232 ATOM 33 N VAL A 3 18.465 39.836 -27.857 1.00 20.52 1NCI 233 ATOM 34 CA VAL A 3 19.516 39.428 -28.768 1.00 21.23 1NCI 234 ATOM 35 C VAL A 3 19.520 40.342 -29.991 1.00 20.69 1NCI 235 ATOM 36 O VAL A 3 18.465 40.777 -30.438 1.00 21.62 1NCI 236 ATOM 37 CB VAL A 3 19.345 37.930 -29.205 1.00 22.06 1NCI 237 ATOM 38 CG1 VAL A 3 18.988 37.044 -28.017 1.00 23.69 1NCI 238 ATOM 39 CG2 VAL A 3 18.304 37.793 -30.250 1.00 22.38 1NCI 239 ATOM 40 N ILE A 4 20.701 40.614 -30.544 1.00 19.64 1NCI 240 ATOM 41 CA ILE A 4 20.834 41.442 -31.749 1.00 18.51 1NCI 241 ATOM 42 C ILE A 4 20.434 40.583 -32.945 1.00 18.22 1NCI 242 ATOM 43 O ILE A 4 20.899 39.453 -33.084 1.00 17.43 1NCI 243 ATOM 44 CB ILE A 4 22.311 41.934 -31.957 1.00 18.65 1NCI 244 ATOM 45 CG1 ILE A 4 22.746 42.839 -30.789 1.00 18.74 1NCI 245 ATOM 46 CG2 ILE A 4 22.469 42.616 -33.318 1.00 18.01 1NCI 246 ATOM 47 CD1 ILE A 4 22.753 44.378 -31.022 1.00 18.88 1NCI 247 ATOM 48 N PRO A 5 19.532 41.087 -33.801 1.00 17.44 1NCI 248 ATOM 49 CA PRO A 5 19.126 40.295 -34.969 1.00 17.62 1NCI 249 ATOM 50 C PRO A 5 20.327 39.902 -35.863 1.00 17.50 1NCI 250 ATOM 51 O PRO A 5 21.227 40.707 -36.102 1.00 16.16 1NCI 251 ATOM 52 CB PRO A 5 18.223 41.259 -35.722 1.00 17.23 1NCI 252 ATOM 53 CG PRO A 5 17.594 42.090 -34.606 1.00 16.98 1NCI 253 ATOM 54 CD PRO A 5 18.794 42.367 -33.732 1.00 17.54 1NCI 254 ATOM 55 N PRO A 6 20.332 38.664 -36.387 1.00 17.63 1NCI 255 ATOM 56 CA PRO A 6 21.427 38.205 -37.259 1.00 17.43 1NCI 256 ATOM 57 C PRO A 6 21.627 39.081 -38.492 1.00 17.33 1NCI 257 ATOM 58 O PRO A 6 20.676 39.687 -39.014 1.00 16.94 1NCI 258 ATOM 59 CB PRO A 6 21.000 36.786 -37.653 1.00 17.76 1NCI 259 ATOM 60 CG PRO A 6 19.503 36.785 -37.415 1.00 19.51 1NCI 260 ATOM 61 CD PRO A 6 19.360 37.589 -36.155 1.00 18.21 1NCI 261 ATOM 62 N ILE A 7 22.882 39.201 -38.911 1.00 17.00 1NCI 262 ATOM 63 CA ILE A 7 23.242 40.001 -40.076 1.00 17.73 1NCI 263 ATOM 64 C ILE A 7 23.431 39.066 -41.275 1.00 18.08 1NCI 264 ATOM 65 O ILE A 7 24.018 37.998 -41.116 1.00 18.53 1NCI 265 ATOM 66 CB ILE A 7 24.568 40.782 -39.837 1.00 17.87 1NCI 266 ATOM 67 CG1 ILE A 7 24.382 41.887 -38.781 1.00 18.98 1NCI 267 ATOM 68 CG2 ILE A 7 25.071 41.382 -41.171 1.00 17.93 1NCI 268 ATOM 69 CD1 ILE A 7 24.371 41.446 -37.347 1.00 19.40 1NCI 269 ATOM 70 N ASN A 8 22.879 39.419 -42.438 1.00 17.90 1NCI 270 ATOM 71 CA ASN A 8 23.031 38.613 -43.642 1.00 19.00 1NCI 271 ATOM 72 C ASN A 8 24.011 39.320 -44.559 1.00 19.26 1NCI 272 ATOM 73 O ASN A 8 23.827 40.505 -44.895 1.00 19.79 1NCI 273 ATOM 74 CB ASN A 8 21.706 38.410 -44.374 1.00 20.08 1NCI 274 ATOM 75 CG ASN A 8 20.675 37.731 -43.519 1.00 21.45 1NCI 275 ATOM 76 OD1 ASN A 8 20.875 36.612 -43.041 1.00 21.96 1NCI 276 ATOM 77 ND2 ASN A 8 19.575 38.424 -43.270 1.00 22.87 1NCI 277 ATOM 78 N LEU A 9 25.056 38.597 -44.957 1.00 18.17 1NCI 278 ATOM 79 CA LEU A 9 26.097 39.151 -45.805 1.00 18.15 1NCI 279 ATOM 80 C LEU A 9 26.205 38.353 -47.093 1.00 17.93 1NCI 280 ATOM 81 O LEU A 9 26.409 37.137 -47.045 1.00 17.80 1NCI 281 ATOM 82 CB LEU A 9 27.430 39.047 -45.056 1.00 19.11 1NCI 282 ATOM 83 CG LEU A 9 28.722 39.350 -45.819 1.00 20.68 1NCI 283 ATOM 84 CD1 LEU A 9 28.771 40.832 -46.201 1.00 20.48 1NCI 284 ATOM 85 CD2 LEU A 9 29.881 38.980 -44.927 1.00 20.80 1NCI 285 ATOM 86 N PRO A 10 26.061 39.012 -48.255 1.00 17.95 1NCI 286 ATOM 87 CA PRO A 10 26.181 38.228 -49.487 1.00 17.32 1NCI 287 ATOM 88 C PRO A 10 27.572 37.637 -49.666 1.00 17.14 1NCI 288 ATOM 89 O PRO A 10 28.585 38.201 -49.279 1.00 15.72 1NCI 289 ATOM 90 CB PRO A 10 25.794 39.213 -50.595 1.00 18.36 1NCI 290 ATOM 91 CG PRO A 10 26.028 40.571 -49.984 1.00 19.10 1NCI 291 ATOM 92 CD PRO A 10 25.652 40.399 -48.529 1.00 18.83 1NCI 292 ATOM 93 N GLU A 11 27.570 36.413 -50.157 1.00 17.78 1NCI 293 ATOM 94 CA GLU A 11 28.765 35.626 -50.402 1.00 17.05 1NCI 294 ATOM 95 C GLU A 11 29.621 36.241 -51.488 1.00 17.50 1NCI 295 ATOM 96 O GLU A 11 29.094 36.801 -52.460 1.00 17.13 1NCI 296 ATOM 97 CB GLU A 11 28.324 34.251 -50.853 1.00 17.12 1NCI 297 ATOM 98 CG GLU A 11 29.482 33.331 -51.074 1.00 16.23 1NCI 298 ATOM 99 CD GLU A 11 29.029 31.962 -51.492 1.00 18.04 1NCI 299 ATOM 100 OE1 GLU A 11 27.845 31.819 -51.890 1.00 17.15 1NCI 300 ATOM 101 OE2 GLU A 11 29.866 31.051 -51.381 1.00 14.75 1NCI 301 ATOM 102 N ASN A 12 30.933 36.160 -51.311 1.00 17.95 1NCI 302 ATOM 103 CA ASN A 12 31.868 36.710 -52.283 1.00 19.33 1NCI 303 ATOM 104 C ASN A 12 31.525 38.118 -52.738 1.00 19.80 1NCI 304 ATOM 105 O ASN A 12 31.537 38.441 -53.925 1.00 19.51 1NCI 305 ATOM 106 CB ASN A 12 32.031 35.733 -53.446 1.00 19.83 1NCI 306 ATOM 107 CG ASN A 12 32.781 34.480 -53.007 1.00 21.80 1NCI 307 ATOM 108 OD1 ASN A 12 33.786 34.587 -52.320 1.00 22.94 1NCI 308 ATOM 109 ND2 ASN A 12 32.265 33.312 -53.325 1.00 21.64 1NCI 309 ATOM 110 N SER A 13 31.321 38.980 -51.754 1.00 20.37 1NCI 310 ATOM 111 CA SER A 13 31.002 40.374 -52.016 1.00 21.85 1NCI 311 ATOM 112 C SER A 13 32.193 41.059 -52.681 1.00 22.50 1NCI 312 ATOM 113 O SER A 13 33.349 40.643 -52.529 1.00 22.01 1NCI 313 ATOM 114 CB SER A 13 30.697 41.091 -50.701 1.00 22.38 1NCI 314 ATOM 115 OG SER A 13 30.658 42.498 -50.887 1.00 23.75 1NCI 315 ATOM 116 N ARG A 14 31.924 42.096 -53.446 1.00 24.13 1NCI 316 ATOM 117 CA ARG A 14 33.033 42.801 -54.059 1.00 25.66 1NCI 317 ATOM 118 C ARG A 14 33.480 43.949 -53.144 1.00 25.66 1NCI 318 ATOM 119 O ARG A 14 34.485 44.632 -53.398 1.00 26.00 1NCI 319 ATOM 120 CB ARG A 14 32.671 43.316 -55.438 1.00 27.89 1NCI 320 ATOM 121 CG ARG A 14 33.920 43.787 -56.169 1.00 31.44 1NCI 321 ATOM 122 CD ARG A 14 33.608 44.726 -57.303 1.00 33.83 1NCI 322 ATOM 123 NE ARG A 14 34.805 45.444 -57.720 1.00 36.51 1NCI 323 ATOM 124 CZ ARG A 14 34.829 46.316 -58.721 1.00 37.84 1NCI 324 ATOM 125 NH1 ARG A 14 33.716 46.563 -59.416 1.00 39.02 1NCI 325 ATOM 126 NH2 ARG A 14 35.938 46.987 -58.988 1.00 38.54 1NCI 326 ATOM 127 N GLY A 15 32.770 44.123 -52.040 1.00 25.29 1NCI 327 ATOM 128 CA GLY A 15 33.126 45.195 -51.131 1.00 25.37 1NCI 328 ATOM 129 C GLY A 15 32.814 46.543 -51.755 1.00 25.57 1NCI 329 ATOM 130 O GLY A 15 31.698 46.715 -52.272 1.00 26.27 1NCI 330 ATOM 131 N PRO A 16 33.782 47.478 -51.835 1.00 25.25 1 1NCI 331 ATOM 132 CA PRO A 16 35.180 47.412 -51.392 1.00 24.82 1 1NCI 332 ATOM 133 C PRO A 16 35.306 47.177 -49.886 1.00 24.66 1 1NCI 333 ATOM 134 O PRO A 16 34.317 47.263 -49.146 1.00 23.89 1 1NCI 334 ATOM 135 CB PRO A 16 35.737 48.789 -51.777 1.00 25.69 1 1NCI 335 ATOM 136 CG PRO A 16 34.738 49.345 -52.763 1.00 26.03 1 1NCI 336 ATOM 137 CD PRO A 16 33.439 48.858 -52.219 1.00 25.65 1 1NCI 337 ATOM 138 N PHE A 17 36.528 46.874 -49.448 1.00 24.34 1NCI 338 ATOM 139 CA PHE A 17 36.803 46.572 -48.055 1.00 23.67 1NCI 339 ATOM 140 C PHE A 17 37.690 47.605 -47.387 1.00 23.62 1NCI 340 ATOM 141 O PHE A 17 38.552 48.192 -48.040 1.00 24.31 1NCI 341 ATOM 142 CB PHE A 17 37.428 45.184 -47.969 1.00 23.59 1NCI 342 ATOM 143 CG PHE A 17 36.577 44.125 -48.598 1.00 23.21 1NCI 343 ATOM 144 CD1 PHE A 17 35.490 43.593 -47.915 1.00 23.00 1NCI 344 ATOM 145 CD2 PHE A 17 36.775 43.758 -49.917 1.00 23.19 1NCI 345 ATOM 146 CE1 PHE A 17 34.621 42.720 -48.550 1.00 23.00 1NCI 346 ATOM 147 CE2 PHE A 17 35.901 42.884 -50.548 1.00 23.08 1NCI 347 ATOM 148 CZ PHE A 17 34.828 42.374 -49.862 1.00 22.41 1NCI 348 ATOM 149 N PRO A 18 37.502 47.833 -46.075 1.00 23.42 2 1NCI 349 ATOM 150 CA PRO A 18 36.511 47.176 -45.207 1.00 23.19 2 1NCI 350 ATOM 151 C PRO A 18 35.071 47.591 -45.515 1.00 22.98 2 1NCI 351 ATOM 152 O PRO A 18 34.833 48.696 -45.989 1.00 22.49 2 1NCI 352 ATOM 153 CB PRO A 18 36.938 47.618 -43.808 1.00 23.06 2 1NCI 353 ATOM 154 CG PRO A 18 37.581 48.956 -44.059 1.00 23.62 2 1NCI 354 ATOM 155 CD PRO A 18 38.401 48.692 -45.279 1.00 23.76 2 1NCI 355 ATOM 156 N GLN A 19 34.120 46.681 -45.307 1.00 22.84 1NCI 356 ATOM 157 CA GLN A 19 32.713 46.997 -45.567 1.00 22.04 1NCI 357 ATOM 158 C GLN A 19 31.925 46.969 -44.269 1.00 21.10 1NCI 358 ATOM 159 O GLN A 19 31.820 45.925 -43.616 1.00 20.25 1NCI 359 ATOM 160 CB GLN A 19 32.064 46.032 -46.565 1.00 23.00 1NCI 360 ATOM 161 CG GLN A 19 30.669 46.541 -46.945 1.00 25.26 1NCI 361 ATOM 162 CD GLN A 19 29.878 45.641 -47.882 1.00 27.47 1NCI 362 ATOM 163 OE1 GLN A 19 29.645 44.461 -47.596 1.00 28.40 1NCI 363 ATOM 164 NE2 GLN A 19 29.381 46.220 -48.965 1.00 27.29 1NCI 364 ATOM 165 N GLU A 20 31.353 48.113 -43.921 1.00 19.89 1NCI 365 ATOM 166 CA GLU A 20 30.584 48.279 -42.699 1.00 19.77 1NCI 366 ATOM 167 C GLU A 20 29.263 47.512 -42.810 1.00 18.87 1NCI 367 ATOM 168 O GLU A 20 28.565 47.617 -43.825 1.00 18.81 1NCI 368 ATOM 169 CB GLU A 20 30.350 49.779 -42.480 1.00 21.49 1NCI 369 ATOM 170 CG GLU A 20 29.780 50.162 -41.147 1.00 25.01 1NCI 370 ATOM 171 CD GLU A 20 29.561 51.677 -41.043 1.00 27.07 1NCI 371 ATOM 172 OE1 GLU A 20 30.560 52.430 -40.948 1.00 28.35 1NCI 372 ATOM 173 OE2 GLU A 20 28.384 52.111 -41.039 1.00 27.42 1NCI 373 ATOM 174 N LEU A 21 28.926 46.765 -41.761 1.00 17.47 1NCI 374 ATOM 175 CA LEU A 21 27.731 45.927 -41.717 1.00 16.60 1NCI 375 ATOM 176 C LEU A 21 26.607 46.415 -40.814 1.00 16.35 1NCI 376 ATOM 177 O LEU A 21 25.432 46.491 -41.235 1.00 15.40 1NCI 377 ATOM 178 CB LEU A 21 28.116 44.517 -41.253 1.00 16.75 1NCI 378 ATOM 179 CG LEU A 21 29.035 43.776 -42.204 1.00 16.28 1NCI 379 ATOM 180 CD1 LEU A 21 29.323 42.373 -41.654 1.00 17.81 1NCI 380 ATOM 181 CD2 LEU A 21 28.404 43.717 -43.608 1.00 17.47 1NCI 381 ATOM 182 N VAL A 22 26.964 46.692 -39.566 1.00 15.39 1NCI 382 ATOM 183 CA VAL A 22 26.008 47.128 -38.580 1.00 15.64 1NCI 383 ATOM 184 C VAL A 22 26.716 47.781 -37.388 1.00 15.70 1NCI 384 ATOM 185 O VAL A 22 27.893 47.492 -37.102 1.00 14.72 1NCI 385 ATOM 186 CB VAL A 22 25.189 45.911 -38.085 1.00 16.58 1NCI 386 ATOM 187 CG1 VAL A 22 26.090 44.907 -37.379 1.00 17.07 1NCI 387 ATOM 188 CG2 VAL A 22 24.086 46.347 -37.177 1.00 16.99 1NCI 388 ATOM 189 N ARG A 23 25.976 48.594 -36.641 1.00 14.94 1NCI 389 ATOM 190 CA ARG A 23 26.529 49.256 -35.469 1.00 14.87 1NCI 390 ATOM 191 C ARG A 23 26.027 48.543 -34.228 1.00 14.35 1NCI 391 ATOM 192 O ARG A 23 24.808 48.373 -34.081 1.00 12.88 1NCI 392 ATOM 193 CB ARG A 23 26.082 50.722 -35.420 1.00 14.40 1NCI 393 ATOM 194 CG ARG A 23 26.927 51.532 -34.472 1.00 16.90 1NCI 394 ATOM 195 CD ARG A 23 26.378 52.944 -34.253 1.00 17.28 1NCI 395 ATOM 196 NE ARG A 23 27.168 53.654 -33.242 1.00 18.99 1NCI 396 ATOM 197 CZ ARG A 23 26.962 54.923 -32.893 1.00 19.19 1NCI 397 ATOM 198 NH1 ARG A 23 25.981 55.614 -33.469 1.00 20.00 1NCI 398 ATOM 199 NH2 ARG A 23 27.744 55.502 -31.983 1.00 18.81 1NCI 399 ATOM 200 N ILE A 24 26.955 48.095 -33.369 1.00 13.81 1NCI 400 ATOM 201 CA ILE A 24 26.626 47.403 -32.117 1.00 13.37 1NCI 401 ATOM 202 C ILE A 24 27.147 48.197 -30.935 1.00 13.63 1NCI 402 ATOM 203 O ILE A 24 28.350 48.174 -30.648 1.00 13.71 1NCI 403 ATOM 204 CB AILE A 24 27.296 45.979 -32.028 0.71 13.41 1NCI 404 ATOM 205 CB BILE A 24 27.228 45.959 -32.052 0.29 13.34 1NCI 405 ATOM 206 CG1AILE A 24 26.979 45.126 -33.264 0.71 13.89 1NCI 406 ATOM 207 CG1BILE A 24 26.634 45.065 -33.144 0.29 13.32 1NCI 407 ATOM 208 CG2AILE A 24 26.884 45.285 -30.753 0.71 13.35 1NCI 408 ATOM 209 CG2BILE A 24 26.970 45.337 -30.693 0.29 13.22 1NCI 409 ATOM 210 CD1AILE A 24 25.518 45.001 -33.581 0.71 13.69 1NCI 410 ATOM 211 CD1BILE A 24 27.530 44.896 -34.346 0.29 13.26 1NCI 411 ATOM 212 N ARG A 25 26.257 48.850 -30.196 1.00 13.55 1NCI 412 ATOM 213 CA ARG A 25 26.675 49.627 -29.020 1.00 13.16 1NCI 413 ATOM 214 C ARG A 25 25.619 49.714 -27.926 1.00 11.64 1NCI 414 ATOM 215 O ARG A 25 24.460 49.302 -28.145 1.00 12.00 1NCI 415 ATOM 216 CB ARG A 25 27.159 51.018 -29.425 1.00 15.39 1NCI 416 ATOM 217 CG ARG A 25 26.382 51.669 -30.547 1.00 18.52 1NCI 417 ATOM 218 CD ARG A 25 25.164 52.373 -30.081 1.00 21.73 1NCI 418 ATOM 219 NE ARG A 25 25.395 53.414 -29.068 1.00 23.15 1NCI 419 ATOM 220 CZ ARG A 25 24.462 54.283 -28.720 1.00 23.92 1NCI 420 ATOM 221 NH1 ARG A 25 23.287 54.236 -29.342 1.00 25.25 1NCI 421 ATOM 222 NH2 ARG A 25 24.613 55.043 -27.646 1.00 24.60 1NCI 422 ATOM 223 N SER A 26 26.023 50.206 -26.760 1.00 10.33 1NCI 423 ATOM 224 CA SER A 26 25.164 50.335 -25.598 1.00 10.02 1NCI 424 ATOM 225 C SER A 26 24.773 51.788 -25.343 1.00 10.53 1NCI 425 ATOM 226 O SER A 26 25.604 52.704 -25.537 1.00 9.34 1NCI 426 ATOM 227 CB ASER A 26 25.933 49.857 -24.357 0.85 8.72 1NCI 427 ATOM 228 CB BSER A 26 25.843 49.728 -24.360 0.21 10.44 1NCI 428 ATOM 229 OG ASER A 26 25.238 50.137 -23.143 0.85 7.15 1NCI 429 ATOM 230 OG BSER A 26 27.165 50.200 -24.212 0.21 11.08 1NCI 430 ATOM 231 N GLY A 27 23.536 52.004 -24.899 1.00 11.42 1NCI 431 ATOM 232 CA GLY A 27 23.133 53.373 -24.583 1.00 12.49 1NCI 432 ATOM 233 C GLY A 27 23.912 53.878 -23.380 1.00 12.92 1NCI 433 ATOM 234 O GLY A 27 23.876 55.068 -23.050 1.00 13.01 1NCI 434 ATOM 235 N ARG A 28 24.564 52.979 -22.650 1.00 13.34 1NCI 435 ATOM 236 CA ARG A 28 25.382 53.398 -21.506 1.00 13.90 1NCI 436 ATOM 237 C ARG A 28 26.598 54.213 -21.949 1.00 13.22 1NCI 437 ATOM 238 O ARG A 28 27.208 54.905 -21.123 1.00 14.57 1NCI 438 ATOM 239 CB ARG A 28 25.860 52.195 -20.676 1.00 15.41 1NCI 439 ATOM 240 CG ARG A 28 24.839 51.755 -19.625 1.00 18.73 1NCI 440 ATOM 241 CD ARG A 28 25.392 50.779 -18.572 1.00 22.60 1NCI 441 ATOM 242 NE ARG A 28 24.938 49.429 -18.859 1.00 27.02 1NCI 442 ATOM 243 CZ ARG A 28 23.865 48.835 -18.330 1.00 26.78 1NCI 443 ATOM 244 NH1 ARG A 28 23.104 49.447 -17.433 1.00 27.95 1NCI 444 ATOM 245 NH2 ARG A 28 23.462 47.689 -18.834 1.00 27.35 1NCI 445 ATOM 246 N ASP A 29 26.933 54.183 -23.239 1.00 12.86 1NCI 446 ATOM 247 CA ASP A 29 28.100 54.917 -23.706 1.00 13.82 1NCI 447 ATOM 248 C ASP A 29 27.865 56.423 -23.796 1.00 14.53 1NCI 448 ATOM 249 O ASP A 29 28.733 57.149 -24.256 1.00 15.27 1NCI 449 ATOM 250 CB ASP A 29 28.703 54.322 -25.010 1.00 14.13 1NCI 450 ATOM 251 CG ASP A 29 27.886 54.617 -26.254 1.00 13.76 1NCI 451 ATOM 252 OD1 ASP A 29 27.001 55.503 -26.245 1.00 14.60 1NCI 452 ATOM 253 OD2 ASP A 29 28.120 53.953 -27.274 1.00 13.25 1NCI 453 ATOM 254 N LYS A 30 26.652 56.854 -23.443 1.00 15.00 1NCI 454 ATOM 255 CA LYS A 30 26.283 58.279 -23.415 1.00 15.76 1NCI 455 ATOM 256 C LYS A 30 26.502 58.764 -21.979 1.00 14.93 1NCI 456 ATOM 257 O LYS A 30 26.414 59.966 -21.702 1.00 13.57 1NCI 457 ATOM 258 CB LYS A 30 24.798 58.466 -23.736 1.00 17.30 1NCI 458 ATOM 259 CG LYS A 30 24.353 57.948 -25.091 1.00 20.77 1NCI 459 ATOM 260 CD LYS A 30 24.835 58.796 -26.213 1.00 23.44 1NCI 460 ATOM 261 CE LYS A 30 23.954 58.570 -27.436 1.00 25.39 1NCI 461 ATOM 262 NZ LYS A 30 22.541 58.719 -26.977 1.00 28.25 1NCI 462 ATOM 263 N ASN A 31 26.724 57.819 -21.063 1.00 15.56 1NCI 463 ATOM 264 CA ASN A 31 26.931 58.140 -19.650 1.00 16.94 1NCI 464 ATOM 265 C ASN A 31 28.365 57.873 -19.168 1.00 17.40 1NCI 465 ATOM 266 O ASN A 31 28.883 58.618 -18.339 1.00 17.60 1NCI 466 ATOM 267 CB ASN A 31 25.959 57.361 -18.740 1.00 18.09 1NCI 467 ATOM 268 CG ASN A 31 24.497 57.470 -19.184 1.00 20.10 1NCI 468 ATOM 269 OD1 ASN A 31 24.014 58.549 -19.510 1.00 21.19 1NCI 469 ATOM 270 ND2 ASN A 31 23.789 56.340 -19.190 1.00 21.07 1NCI 470 ATOM 271 N LEU A 32 28.990 56.812 -19.683 1.00 17.44 1NCI 471 ATOM 272 CA LEU A 32 30.359 56.432 -19.290 1.00 17.06 1NCI 472 ATOM 273 C LEU A 32 31.175 56.224 -20.537 1.00 15.82 1NCI 473 ATOM 274 O LEU A 32 30.631 55.905 -21.582 1.00 14.91 1NCI 474 ATOM 275 CB LEU A 32 30.372 55.067 -18.598 1.00 19.94 1NCI 475 ATOM 276 CG LEU A 32 29.581 54.756 -17.355 1.00 22.43 1NCI 476 ATOM 277 CD1 LEU A 32 28.192 54.418 -17.794 1.00 23.51 1NCI 477 ATOM 278 CD2 LEU A 32 30.226 53.571 -16.633 1.00 23.28 1NCI 478 ATOM 279 N SER A 33 32.503 56.348 -20.406 1.00 14.33 1NCI 479 ATOM 280 CA SER A 33 33.414 56.112 -21.504 1.00 14.02 1NCI 480 ATOM 281 C SER A 33 33.446 54.580 -21.666 1.00 14.15 1NCI 481 ATOM 282 O SER A 33 33.881 53.887 -20.735 1.00 14.99 1NCI 482 ATOM 283 CB ASER A 33 34.812 56.613 -21.171 0.75 13.57 1NCI 483 ATOM 284 CB BSER A 33 34.812 56.576 -21.116 0.27 14.34 1NCI 484 ATOM 285 OG ASER A 33 35.633 56.448 -22.306 0.75 12.63 1NCI 485 ATOM 286 OG BSER A 33 34.784 57.929 -20.726 0.27 15.03 1NCI 486 ATOM 287 N LEU A 34 32.964 54.066 -22.808 1.00 14.00 1NCI 487 ATOM 288 CA LEU A 34 32.977 52.624 -23.062 1.00 13.27 1NCI 488 ATOM 289 C LEU A 34 33.841 52.279 -24.274 1.00 12.71 1NCI 489 ATOM 290 O LEU A 34 34.051 53.107 -25.160 1.00 13.51 1NCI 490 ATOM 291 CB LEU A 34 31.548 52.077 -23.268 1.00 12.84 1NCI 491 ATOM 292 CG LEU A 34 30.443 52.299 -22.229 1.00 14.19 1NCI 492 ATOM 293 CD1 LEU A 34 29.260 51.399 -22.581 1.00 14.73 1NCI 493 ATOM 294 CD2 LEU A 34 30.897 52.029 -20.833 1.00 13.71 1NCI 494 ATOM 295 N ARG A 35 34.424 51.082 -24.273 1.00 11.31 1NCI 495 ATOM 296 CA ARG A 35 35.238 50.645 -25.393 1.00 10.25 1NCI 496 ATOM 297 C ARG A 35 34.633 49.303 -25.757 1.00 9.49 1NCI 497 ATOM 298 O ARG A 35 34.434 48.450 -24.873 1.00 7.66 1NCI 498 ATOM 299 CB ARG A 35 36.721 50.451 -24.974 1.00 11.72 1NCI 499 ATOM 300 CG ARG A 35 37.643 50.060 -26.138 1.00 13.18 1NCI 500 ATOM 301 CD ARG A 35 37.541 48.588 -26.565 1.00 17.95 1NCI 501 ATOM 302 NE ARG A 35 38.736 47.864 -26.212 1.00 21.04 1NCI 502 ATOM 303 CZ ARG A 35 39.523 47.196 -27.056 1.00 19.34 1NCI 503 ATOM 304 NH1 ARG A 35 39.282 47.068 -28.369 1.00 17.99 1NCI 504 ATOM 305 NH2 ARG A 35 40.646 46.778 -26.567 1.00 20.16 1NCI 505 ATOM 306 N TYR A 36 34.400 49.138 -27.052 1.00 8.83 1NCI 506 ATOM 307 CA TYR A 36 33.788 47.943 -27.638 1.00 8.31 1NCI 507 ATOM 308 C TYR A 36 34.820 46.984 -28.223 1.00 8.19 1NCI 508 ATOM 309 O TYR A 36 35.809 47.407 -28.824 1.00 7.62 1NCI 509 ATOM 310 CB TYR A 36 32.839 48.367 -28.745 1.00 9.16 1NCI 510 ATOM 311 CG TYR A 36 31.683 49.209 -28.244 1.00 9.59 1NCI 511 ATOM 312 CD1 TYR A 36 30.718 48.652 -27.396 1.00 10.58 1NCI 512 ATOM 313 CD2 TYR A 36 31.596 50.562 -28.542 1.00 9.91 1NCI 513 ATOM 314 CE1 TYR A 36 29.703 49.410 -26.848 1.00 10.64 1NCI 514 ATOM 315 CE2 TYR A 36 30.571 51.343 -27.985 1.00 11.47 1NCI 515 ATOM 316 CZ TYR A 36 29.633 50.759 -27.140 1.00 10.81 1NCI 516 ATOM 317 OH TYR A 36 28.620 51.495 -26.543 1.00 10.14 1NCI 517 ATOM 318 N SER A 37 34.554 45.687 -28.126 1.00 7.63 1NCI 518 ATOM 319 CA SER A 37 35.464 44.693 -28.708 1.00 8.16 1NCI 519 ATOM 320 C SER A 37 34.613 43.505 -29.173 1.00 9.30 1NCI 520 ATOM 321 O SER A 37 33.456 43.404 -28.777 1.00 7.82 1NCI 521 ATOM 322 CB SER A 37 36.480 44.224 -27.658 1.00 8.29 1NCI 522 ATOM 323 OG SER A 37 35.823 43.675 -26.525 1.00 9.05 1NCI 523 ATOM 324 N VAL A 38 35.167 42.663 -30.048 1.00 10.19 1NCI 524 ATOM 325 CA VAL A 38 34.436 41.481 -30.532 1.00 11.96 1NCI 525 ATOM 326 C VAL A 38 35.344 40.269 -30.420 1.00 12.46 1NCI 526 ATOM 327 O VAL A 38 36.533 40.354 -30.745 1.00 11.37 1NCI 527 ATOM 328 CB VAL A 38 33.969 41.574 -32.022 1.00 12.09 1NCI 528 ATOM 329 CG1 VAL A 38 32.721 42.416 -32.139 1.00 14.87 1NCI 529 ATOM 330 CG2 VAL A 38 35.112 42.079 -32.950 1.00 12.38 1NCI 530 ATOM 331 N THR A 39 34.774 39.145 -29.993 1.00 13.28 1NCI 531 ATOM 332 CA THR A 39 35.539 37.910 -29.845 1.00 13.76 1NCI 532 ATOM 333 C THR A 39 34.802 36.769 -30.569 1.00 14.01 1NCI 533 ATOM 334 O THR A 39 33.623 36.896 -30.905 1.00 12.97 1NCI 534 ATOM 335 CB THR A 39 35.678 37.533 -28.357 1.00 13.71 1NCI 535 ATOM 336 OG1 THR A 39 34.379 37.444 -27.772 1.00 13.66 1NCI 536 ATOM 337 CG2 THR A 39 36.502 38.602 -27.593 1.00 13.46 1NCI 537 ATOM 338 N GLY A 40 35.514 35.694 -30.875 1.00 15.21 1NCI 538 ATOM 339 CA GLY A 40 34.880 34.564 -31.523 1.00 15.14 1NCI 539 ATOM 340 C GLY A 40 35.550 34.214 -32.832 1.00 15.79 1NCI 540 ATOM 341 O GLY A 40 36.452 34.930 -33.278 1.00 15.41 1NCI 541 ATOM 342 N PRO A 41 35.184 33.070 -33.443 1.00 16.20 1NCI 542 ATOM 343 CA PRO A 41 35.775 32.660 -34.721 1.00 15.81 1NCI 543 ATOM 344 C PRO A 41 35.428 33.751 -35.721 1.00 15.04 1NCI 544 ATOM 345 O PRO A 41 34.251 34.135 -35.825 1.00 14.74 1NCI 545 ATOM 346 CB PRO A 41 35.028 31.350 -35.029 1.00 16.61 1NCI 546 ATOM 347 CG PRO A 41 34.824 30.777 -33.655 1.00 15.64 1NCI 547 ATOM 348 CD PRO A 41 34.311 32.010 -32.905 1.00 16.74 1NCI 548 ATOM 349 N GLY A 42 36.429 34.274 -36.424 1.00 13.96 1NCI 549 ATOM 350 CA GLY A 42 36.188 35.341 -37.386 1.00 14.42 1NCI 550 ATOM 351 C GLY A 42 36.778 36.669 -36.899 1.00 14.46 1NCI 551 ATOM 352 O GLY A 42 37.129 37.547 -37.705 1.00 14.13 1NCI 552 ATOM 353 N ALA A 43 36.850 36.812 -35.582 1.00 14.37 1NCI 553 ATOM 354 CA ALA A 43 37.393 37.987 -34.909 1.00 14.21 1NCI 554 ATOM 355 C ALA A 43 38.765 37.644 -34.322 1.00 14.59 1NCI 555 ATOM 356 O ALA A 43 39.764 37.769 -35.008 1.00 13.98 1NCI 556 ATOM 357 CB ALA A 43 36.455 38.453 -33.797 1.00 12.80 1NCI 557 ATOM 358 N ASP A 44 38.812 37.188 -33.072 1.00 15.52 1NCI 558 ATOM 359 CA ASP A 44 40.112 36.859 -32.464 1.00 17.39 1NCI 559 ATOM 360 C ASP A 44 40.408 35.355 -32.403 1.00 18.28 1NCI 560 ATOM 361 O ASP A 44 41.418 34.951 -31.822 1.00 18.16 1NCI 561 ATOM 362 CB ASP A 44 40.265 37.474 -31.071 1.00 16.26 1NCI 562 ATOM 363 CG ASP A 44 39.318 36.889 -30.062 1.00 16.57 1NCI 563 ATOM 364 OD1 ASP A 44 38.292 36.307 -30.441 1.00 17.70 1NCI 564 ATOM 365 OD2 ASP A 44 39.603 37.008 -28.855 1.00 17.01 1NCI 565 ATOM 366 N GLN A 45 39.481 34.549 -32.914 1.00 19.24 1NCI 566 ATOM 367 CA GLN A 45 39.659 33.083 -32.991 1.00 20.06 1NCI 567 ATOM 368 C GLN A 45 39.607 32.746 -34.480 1.00 20.28 1NCI 568 ATOM 369 O GLN A 45 39.022 33.502 -35.251 1.00 20.16 1NCI 569 ATOM 370 CB GLN A 45 38.578 32.357 -32.185 1.00 20.10 1NCI 570 ATOM 371 CG GLN A 45 38.738 32.527 -30.679 1.00 21.77 1NCI 571 ATOM 372 CD GLN A 45 37.414 32.499 -29.905 1.00 23.42 1NCI 572 ATOM 373 OE1 GLN A 45 36.503 31.725 -30.220 1.00 24.36 1NCI 573 ATOM 374 NE2 GLN A 45 37.293 33.378 -28.904 1.00 24.73 1NCI 574 ATOM 375 N PRO A 46 40.323 31.686 -34.928 1.00 21.14 1NCI 575 ATOM 376 CA PRO A 46 40.319 31.321 -36.350 1.00 21.14 1NCI 576 ATOM 377 C PRO A 46 38.968 31.221 -37.049 1.00 21.19 1NCI 577 ATOM 378 O PRO A 46 37.984 30.815 -36.465 1.00 21.70 1NCI 578 ATOM 379 CB PRO A 46 41.108 29.999 -36.404 1.00 22.12 1NCI 579 ATOM 380 CG PRO A 46 41.497 29.698 -34.987 1.00 21.75 1NCI 580 ATOM 381 CD PRO A 46 41.340 30.932 -34.177 1.00 21.26 1NCI 581 ATOM 382 N PRO A 47 38.869 31.788 -38.258 1.00 20.79 3 1NCI 582 ATOM 383 CA PRO A 47 39.888 32.515 -39.015 1.00 20.72 3 1NCI 583 ATOM 384 C PRO A 47 39.911 33.964 -38.493 1.00 21.12 3 1NCI 584 ATOM 385 O PRO A 47 38.881 34.641 -38.469 1.00 20.86 3 1NCI 585 ATOM 386 CB PRO A 47 39.373 32.429 -40.442 1.00 21.08 3 1NCI 586 ATOM 387 CG PRO A 47 37.895 32.401 -40.260 1.00 21.53 3 1NCI 587 ATOM 388 CD PRO A 47 37.683 31.515 -39.087 1.00 21.04 3 1NCI 588 ATOM 389 N THR A 48 41.077 34.423 -38.057 1.00 20.45 1NCI 589 ATOM 390 CA THR A 48 41.199 35.757 -37.473 1.00 20.46 1NCI 590 ATOM 391 C THR A 48 41.111 36.968 -38.418 1.00 19.02 1NCI 591 ATOM 392 O THR A 48 41.389 36.864 -39.616 1.00 18.44 1NCI 592 ATOM 393 CB THR A 48 42.514 35.841 -36.660 1.00 21.60 1NCI 593 ATOM 394 OG1 THR A 48 43.611 35.697 -37.556 1.00 24.39 1NCI 594 ATOM 395 CG2 THR A 48 42.592 34.709 -35.639 1.00 24.69 1NCI 595 ATOM 396 N GLY A 49 40.629 38.097 -37.886 1.00 18.25 1NCI 596 ATOM 397 CA GLY A 49 40.575 39.335 -38.664 1.00 16.57 1NCI 597 ATOM 398 C GLY A 49 39.587 39.472 -39.808 1.00 15.96 1NCI 598 ATOM 399 O GLY A 49 39.745 40.356 -40.651 1.00 16.39 1NCI 599 ATOM 400 N ILE A 50 38.551 38.639 -39.827 1.00 14.69 1NCI 600 ATOM 401 CA ILE A 50 37.532 38.725 -40.876 1.00 13.81 1NCI 601 ATOM 402 C ILE A 50 36.551 39.818 -40.492 1.00 12.90 1NCI 602 ATOM 403 O ILE A 50 36.077 40.564 -41.353 1.00 13.42 1NCI 603 ATOM 404 CB ILE A 50 36.735 37.417 -41.043 1.00 14.10 1NCI 604 ATOM 405 CG1 ILE A 50 37.679 36.315 -41.508 1.00 15.46 1NCI 605 ATOM 406 CG2 ILE A 50 35.621 37.626 -42.071 1.00 14.04 1NCI 606 ATOM 407 CD1 ILE A 50 38.536 36.768 -42.658 1.00 17.12 1NCI 607 ATOM 408 N PHE A 51 36.257 39.894 -39.202 1.00 11.65 1NCI 608 ATOM 409 CA PHE A 51 35.347 40.905 -38.668 1.00 12.09 1NCI 609 ATOM 410 C PHE A 51 36.076 41.766 -37.648 1.00 12.52 1NCI 610 ATOM 411 O PHE A 51 36.861 41.264 -36.850 1.00 13.45 1NCI 611 ATOM 412 CB PHE A 51 34.147 40.236 -38.014 1.00 11.25 1NCI 612 ATOM 413 CG PHE A 51 33.369 39.367 -38.963 1.00 12.18 1NCI 613 ATOM 414 CD1 PHE A 51 32.617 39.936 -39.972 1.00 12.54 1NCI 614 ATOM 415 CD2 PHE A 51 33.428 37.973 -38.868 1.00 12.83 1NCI 615 ATOM 416 CE1 PHE A 51 31.933 39.131 -40.884 1.00 13.62 1NCI 616 ATOM 417 CE2 PHE A 51 32.745 37.174 -39.773 1.00 11.53 1NCI 617 ATOM 418 CZ PHE A 51 32.011 37.736 -40.763 1.00 12.84 1NCI 618 ATOM 419 N ILE A 52 35.851 43.070 -37.704 1.00 11.66 1NCI 619 ATOM 420 CA ILE A 52 36.478 43.986 -36.747 1.00 11.32 1NCI 620 ATOM 421 C ILE A 52 35.378 44.895 -36.208 1.00 11.14 1NCI 621 ATOM 422 O ILE A 52 34.317 45.027 -36.832 1.00 12.07 1NCI 622 ATOM 423 CB ILE A 52 37.552 44.883 -37.429 1.00 11.56 1NCI 623 ATOM 424 CG1 ILE A 52 36.938 45.661 -38.611 1.00 12.31 1NCI 624 ATOM 425 CG2 ILE A 52 38.787 44.029 -37.857 1.00 12.26 1NCI 625 ATOM 426 CD1 ILE A 52 37.848 46.751 -39.205 1.00 12.56 1NCI 626 ATOM 427 N ILE A 53 35.596 45.468 -35.037 1.00 9.94 1NCI 627 ATOM 428 CA ILE A 53 34.618 46.396 -34.510 1.00 9.51 1NCI 628 ATOM 429 C ILE A 53 35.380 47.668 -34.089 1.00 8.99 1NCI 629 ATOM 430 O ILE A 53 36.504 47.611 -33.545 1.00 7.65 1NCI 630 ATOM 431 CB ILE A 53 33.784 45.783 -33.342 1.00 7.85 1NCI 631 ATOM 432 CG1 ILE A 53 32.551 46.656 -33.052 1.00 8.67 1NCI 632 ATOM 433 CG2 ILE A 53 34.621 45.661 -32.059 1.00 9.53 1NCI 633 ATOM 434 CD1 ILE A 53 31.607 46.106 -31.959 1.00 7.30 1NCI 634 ATOM 435 N ASN A 54 34.806 48.817 -34.422 1.00 9.49 1NCI 635 ATOM 436 CA ASN A 54 35.401 50.096 -34.037 1.00 8.89 1NCI 636 ATOM 437 C ASN A 54 35.255 50.198 -32.508 1.00 8.82 1NCI 637 ATOM 438 O ASN A 54 34.131 50.233 -31.976 1.00 9.07 1NCI 638 ATOM 439 CB ASN A 54 34.654 51.232 -34.765 1.00 9.52 1NCI 639 ATOM 440 CG ASN A 54 35.332 52.570 -34.597 1.00 9.36 1NCI 640 ATOM 441 OD1 ASN A 54 35.808 53.178 -35.571 1.00 11.15 1NCI 641 ATOM 442 ND2 ASN A 54 35.382 53.031 -33.392 1.00 7.46 1NCI 642 ATOM 443 N PRO A 55 36.377 50.345 -31.776 1.00 7.30 1NCI 643 ATOM 444 CA PRO A 55 36.351 50.432 -30.309 1.00 8.91 1NCI 644 ATOM 445 C PRO A 55 35.569 51.590 -29.670 1.00 9.37 1NCI 645 ATOM 446 O PRO A 55 35.156 51.516 -28.512 1.00 9.94 1NCI 646 ATOM 447 CB PRO A 55 37.845 50.437 -29.930 1.00 8.23 1NCI 647 ATOM 448 CG PRO A 55 38.507 51.054 -31.116 1.00 7.99 1NCI 648 ATOM 449 CD PRO A 55 37.749 50.494 -32.297 1.00 9.08 1NCI 649 ATOM 450 N ILE A 56 35.315 52.633 -30.444 1.00 10.93 1NCI 650 ATOM 451 CA ILE A 56 34.573 53.790 -29.947 1.00 12.15 1NCI 651 ATOM 452 C ILE A 56 33.114 53.820 -30.406 1.00 11.42 1NCI 652 ATOM 453 O ILE A 56 32.205 53.934 -29.561 1.00 11.84 1NCI 653 ATOM 454 CB ILE A 56 35.280 55.109 -30.348 1.00 14.09 1NCI 654 ATOM 455 CG1 ILE A 56 36.670 55.140 -29.689 1.00 15.31 1NCI 655 ATOM 456 CG2 ILE A 56 34.482 56.326 -29.828 1.00 13.94 1NCI 656 ATOM 457 CD1 ILE A 56 37.720 55.806 -30.542 1.00 18.33 1NCI 657 ATOM 458 N SER A 57 32.886 53.602 -31.699 1.00 11.76 1NCI 658 ATOM 459 CA SER A 57 31.546 53.663 -32.282 1.00 11.57 1NCI 659 ATOM 460 C SER A 57 30.737 52.381 -32.237 1.00 11.78 1NCI 660 ATOM 461 O SER A 57 29.523 52.430 -32.374 1.00 11.26 1NCI 661 ATOM 462 CB SER A 57 31.608 54.065 -33.760 1.00 11.09 1NCI 662 ATOM 463 OG SER A 57 32.159 53.016 -34.568 1.00 11.56 1NCI 663 ATOM 464 N GLY A 58 31.421 51.238 -32.161 1.00 11.57 1NCI 664 ATOM 465 CA GLY A 58 30.714 49.963 -32.179 1.00 11.39 1NCI 665 ATOM 466 C GLY A 58 30.394 49.508 -33.618 1.00 11.53 1NCI 666 ATOM 467 O GLY A 58 29.705 48.506 -33.798 1.00 10.67 1NCI 667 ATOM 468 N GLN A 59 30.861 50.223 -34.646 1.00 11.57 1NCI 668 ATOM 469 CA GLN A 59 30.593 49.823 -36.032 1.00 12.48 1NCI 669 ATOM 470 C GLN A 59 31.370 48.522 -36.340 1.00 12.31 1NCI 670 ATOM 471 O GLN A 59 32.589 48.482 -36.184 1.00 11.09 1NCI 671 ATOM 472 CB GLN A 59 31.022 50.898 -37.044 1.00 13.43 1NCI 672 ATOM 473 CG GLN A 59 30.089 52.137 -37.110 1.00 16.83 1NCI 673 ATOM 474 CD GLN A 59 28.753 51.927 -37.842 1.00 19.01 1NCI 674 ATOM 475 OE1 GLN A 59 28.457 50.848 -38.384 1.00 19.63 1NCI 675 ATOM 476 NE2 GLN A 59 27.946 52.999 -37.893 1.00 19.20 1NCI 676 ATOM 477 N LEU A 60 30.640 47.513 -36.792 1.00 11.94 1NCI 677 ATOM 478 CA LEU A 60 31.186 46.196 -37.124 1.00 12.62 1NCI 678 ATOM 479 C LEU A 60 31.378 46.157 -38.639 1.00 12.56 1NCI 679 ATOM 480 O LEU A 60 30.462 46.555 -39.399 1.00 13.77 1NCI 680 ATOM 481 CB LEU A 60 30.190 45.114 -36.696 1.00 13.38 1NCI 681 ATOM 482 CG LEU A 60 30.622 43.638 -36.813 1.00 13.69 1NCI 682 ATOM 483 CD1 LEU A 60 31.670 43.341 -35.747 1.00 13.33 1NCI 683 ATOM 484 CD2 LEU A 60 29.367 42.748 -36.603 1.00 14.94 1NCI 684 ATOM 485 N SER A 61 32.551 45.691 -39.082 1.00 12.24 1NCI 685 ATOM 486 CA SER A 61 32.879 45.627 -40.491 1.00 12.46 1NCI 686 ATOM 487 C SER A 61 33.486 44.297 -40.914 1.00 13.10 1NCI 687 ATOM 488 O SER A 61 33.968 43.545 -40.051 1.00 12.41 1NCI 688 ATOM 489 CB SER A 61 33.884 46.730 -40.863 1.00 14.11 1NCI 689 ATOM 490 OG SER A 61 33.296 48.024 -40.847 1.00 12.11 1NCI 690 ATOM 491 N VAL A 62 33.368 43.991 -42.212 1.00 12.97 1NCI 691 ATOM 492 CA VAL A 62 33.977 42.783 -42.799 1.00 14.33 1NCI 692 ATOM 493 C VAL A 62 35.211 43.249 -43.563 1.00 14.27 1NCI 693 ATOM 494 O VAL A 62 35.143 44.258 -44.296 1.00 13.05 1NCI 694 ATOM 495 CB VAL A 62 33.140 42.101 -43.883 1.00 14.75 1NCI 695 ATOM 496 CG1 VAL A 62 33.098 40.626 -43.624 1.00 16.42 1NCI 696 ATOM 497 CG2 VAL A 62 31.812 42.776 -44.128 1.00 17.91 1NCI 697 ATOM 498 N THR A 63 36.283 42.448 -43.540 1.00 15.05 1NCI 698 ATOM 499 CA THR A 63 37.517 42.848 -44.210 1.00 15.99 1NCI 699 ATOM 500 C THR A 63 37.848 42.234 -45.577 1.00 16.59 1NCI 700 ATOM 501 O THR A 63 38.755 42.721 -46.270 1.00 16.68 1NCI 701 ATOM 502 CB THR A 63 38.749 42.670 -43.252 1.00 15.10 1NCI 702 ATOM 503 OG1 THR A 63 38.956 41.282 -42.986 1.00 17.22 1NCI 703 ATOM 504 CG2 THR A 63 38.503 43.376 -41.902 1.00 14.48 1NCI 704 ATOM 505 N LYS A 64 37.118 41.200 -45.994 1.00 17.27 1NCI 705 ATOM 506 CA LYS A 64 37.408 40.521 -47.252 1.00 17.26 1NCI 706 ATOM 507 C LYS A 64 36.196 39.720 -47.736 1.00 17.03 1NCI 707 ATOM 508 O LYS A 64 35.222 39.575 -47.001 1.00 16.81 1NCI 708 ATOM 509 CB LYS A 64 38.565 39.539 -47.035 1.00 18.66 1NCI 709 ATOM 510 CG LYS A 64 38.213 38.418 -46.079 1.00 20.19 1NCI 710 ATOM 511 CD LYS A 64 39.078 37.198 -46.274 1.00 22.94 1NCI 711 ATOM 512 CE LYS A 64 40.371 37.254 -45.465 1.00 23.99 1NCI 712 ATOM 513 NZ LYS A 64 41.044 35.900 -45.438 1.00 26.22 1NCI 713 ATOM 514 N PRO A 65 36.209 39.279 -49.009 1.00 16.60 1NCI 714 ATOM 515 CA PRO A 65 35.086 38.495 -49.532 1.00 15.58 1NCI 715 ATOM 516 C PRO A 65 35.066 37.166 -48.789 1.00 15.09 1NCI 716 ATOM 517 O PRO A 65 36.110 36.711 -48.309 1.00 14.99 1NCI 717 ATOM 518 CB PRO A 65 35.425 38.341 -51.026 1.00 16.05 1NCI 718 ATOM 519 CG PRO A 65 36.901 38.622 -51.122 1.00 17.63 1NCI 719 ATOM 520 CD PRO A 65 37.118 39.696 -50.089 1.00 16.35 1NCI 720 ATOM 521 N LEU A 66 33.882 36.580 -48.637 1.00 14.60 1NCI 721 ATOM 522 CA LEU A 66 33.748 35.328 -47.920 1.00 14.28 1NCI 722 ATOM 523 C LEU A 66 32.986 34.296 -48.736 1.00 14.36 1NCI 723 ATOM 524 O LEU A 66 31.916 34.572 -49.287 1.00 12.63 1NCI 724 ATOM 525 CB LEU A 66 33.024 35.546 -46.583 1.00 14.66 1NCI 725 ATOM 526 CG LEU A 66 33.745 36.370 -45.491 1.00 14.96 1NCI 726 ATOM 527 CD1 LEU A 66 32.775 36.531 -44.316 1.00 14.71 1NCI 727 ATOM 528 CD2 LEU A 66 35.063 35.721 -45.015 1.00 15.02 1NCI 728 ATOM 529 N ASP A 67 33.553 33.102 -48.788 1.00 14.75 1NCI 729 ATOM 530 CA ASP A 67 32.962 31.991 -49.506 1.00 15.27 1NCI 730 ATOM 531 C ASP A 67 32.314 31.112 -48.434 1.00 16.00 1NCI 731 ATOM 532 O ASP A 67 32.864 30.990 -47.335 1.00 15.87 1NCI 732 ATOM 533 CB ASP A 67 34.071 31.229 -50.211 1.00 15.85 1NCI 733 ATOM 534 CG ASP A 67 33.554 30.064 -50.968 1.00 17.10 1NCI 734 ATOM 535 OD1 ASP A 67 32.890 30.314 -51.978 1.00 15.37 1NCI 735 ATOM 536 OD2 ASP A 67 33.824 28.923 -50.550 1.00 19.94 1NCI 736 ATOM 537 N ARG A 68 31.174 30.499 -48.746 1.00 16.89 1NCI 737 ATOM 538 CA ARG A 68 30.420 29.667 -47.815 1.00 18.97 1NCI 738 ATOM 539 C ARG A 68 30.919 28.247 -47.554 1.00 20.67 1NCI 739 ATOM 540 O ARG A 68 30.442 27.596 -46.627 1.00 20.32 1NCI 740 ATOM 541 CB ARG A 68 28.956 29.546 -48.275 1.00 19.64 1NCI 741 ATOM 542 CG ARG A 68 28.084 30.768 -48.028 1.00 20.36 1NCI 742 ATOM 543 CD ARG A 68 26.862 30.765 -48.937 1.00 22.44 1NCI 743 ATOM 544 NE ARG A 68 26.143 29.499 -48.914 1.00 25.20 1NCI 744 ATOM 545 CZ ARG A 68 25.282 29.144 -47.963 1.00 26.43 1NCI 745 ATOM 546 NH1 ARG A 68 25.032 29.973 -46.950 1.00 27.39 1NCI 746 ATOM 547 NH2 ARG A 68 24.632 27.983 -48.054 1.00 27.55 1NCI 747 ATOM 548 N GLU A 69 31.832 27.744 -48.377 1.00 22.10 1NCI 748 ATOM 549 CA GLU A 69 32.304 26.383 -48.197 1.00 24.18 1NCI 749 ATOM 550 C GLU A 69 32.844 26.021 -46.829 1.00 24.27 1NCI 750 ATOM 551 O GLU A 69 32.425 25.015 -46.254 1.00 24.88 1NCI 751 ATOM 552 CB GLU A 69 33.312 26.025 -49.261 1.00 26.50 1NCI 752 ATOM 553 CG GLU A 69 32.686 26.006 -50.614 1.00 31.73 1NCI 753 ATOM 554 N LEU A 70 33.759 26.815 -46.314 1.00 23.72 1NCI 754 ATOM 555 CA LEU A 70 34.347 26.529 -45.006 1.00 23.54 1NCI 755 ATOM 556 C LEU A 70 33.476 26.889 -43.791 1.00 23.15 1NCI 756 ATOM 557 O LEU A 70 33.216 26.041 -42.945 1.00 23.33 1NCI 757 ATOM 558 CB ALEU A 70 35.758 27.128 -44.888 0.60 23.10 1NCI 758 ATOM 559 CB BLEU A 70 35.724 27.219 -44.905 0.16 22.92 1NCI 759 ATOM 560 CG ALEU A 70 36.623 26.451 -43.813 0.60 23.03 1NCI 760 ATOM 561 CG BLEU A 70 35.943 28.739 -45.067 0.16 22.75 1NCI 761 ATOM 562 CD1ALEU A 70 36.764 24.966 -44.135 0.60 22.71 1NCI 762 ATOM 563 CD1BLEU A 70 34.903 29.402 -45.947 0.16 22.67 1NCI 763 ATOM 564 CD2ALEU A 70 37.987 27.110 -43.741 0.60 22.89 1NCI 764 ATOM 565 CD2BLEU A 70 35.964 29.418 -43.714 0.16 22.87 1NCI 765 ATOM 566 N ILE A 71 32.989 28.123 -43.725 1.00 22.24 1NCI 766 ATOM 567 CA ILE A 71 32.153 28.571 -42.617 1.00 21.75 1NCI 767 ATOM 568 C ILE A 71 31.055 29.436 -43.247 1.00 21.08 1NCI 768 ATOM 569 O ILE A 71 31.337 30.400 -43.946 1.00 20.70 1NCI 769 ATOM 570 CB ILE A 71 32.960 29.407 -41.599 1.00 22.80 1NCI 770 ATOM 571 CG1 ILE A 71 34.134 28.581 -41.065 1.00 23.52 1NCI 771 ATOM 572 CG2 ILE A 71 32.065 29.832 -40.407 1.00 22.01 1NCI 772 ATOM 573 CD1 ILE A 71 35.011 29.293 -40.072 1.00 24.29 1NCI 773 ATOM 574 N ALA A 72 29.813 29.068 -43.023 1.00 20.21 1NCI 774 ATOM 575 CA ALA A 72 28.714 29.810 -43.602 1.00 20.65 1NCI 775 ATOM 576 C ALA A 72 28.039 30.733 -42.588 1.00 21.03 1NCI 776 ATOM 577 O ALA A 72 27.265 31.622 -42.968 1.00 21.25 1NCI 777 ATOM 578 CB ALA A 72 27.721 28.843 -44.173 1.00 20.55 1NCI 778 ATOM 579 N ARG A 73 28.325 30.499 -41.308 1.00 20.57 1NCI 779 ATOM 580 CA ARG A 73 27.738 31.268 -40.221 1.00 20.67 1NCI 780 ATOM 581 C ARG A 73 28.729 31.536 -39.087 1.00 19.83 1NCI 781 ATOM 582 O ARG A 73 29.283 30.599 -38.522 1.00 19.60 1NCI 782 ATOM 583 CB ARG A 73 26.569 30.486 -39.662 1.00 22.56 1NCI 783 ATOM 584 CG ARG A 73 25.725 31.250 -38.683 1.00 25.24 1NCI 784 ATOM 585 CD ARG A 73 24.763 30.270 -38.082 1.00 28.10 1NCI 785 ATOM 586 NE ARG A 73 23.520 30.883 -37.664 1.00 30.91 1NCI 786 ATOM 587 CZ ARG A 73 22.406 30.865 -38.387 1.00 32.28 1NCI 787 ATOM 588 NH1 ARG A 73 22.401 30.269 -39.573 1.00 32.62 1NCI 788 ATOM 589 NH2 ARG A 73 21.299 31.439 -37.913 1.00 33.68 1NCI 789 ATOM 590 N PHE A 74 28.918 32.806 -38.722 1.00 18.37 1NCI 790 ATOM 591 CA PHE A 74 29.853 33.154 -37.651 1.00 17.27 1NCI 791 ATOM 592 C PHE A 74 29.103 33.591 -36.400 1.00 16.90 1NCI 792 ATOM 593 O PHE A 74 28.069 34.257 -36.501 1.00 17.05 1NCI 793 ATOM 594 CB PHE A 74 30.825 34.240 -38.128 1.00 16.77 1NCI 794 ATOM 595 CG PHE A 74 31.652 33.830 -39.319 1.00 17.19 1NCI 795 ATOM 596 CD1 PHE A 74 31.138 33.913 -40.599 1.00 16.48 1NCI 796 ATOM 597 CD2 PHE A 74 32.956 33.384 -39.162 1.00 16.33 1NCI 797 ATOM 598 CE1 PHE A 74 31.911 33.567 -41.705 1.00 16.96 1NCI 798 ATOM 599 CE2 PHE A 74 33.724 33.043 -40.263 1.00 16.93 1NCI 799 ATOM 600 CZ PHE A 74 33.198 33.135 -41.533 1.00 16.69 1NCI 800 ATOM 601 N HIS A 75 29.583 33.157 -35.237 1.00 16.04 1NCI 801 ATOM 602 CA HIS A 75 28.963 33.472 -33.945 1.00 16.69 1NCI 802 ATOM 603 C HIS A 75 29.969 34.270 -33.110 1.00 16.79 1NCI 803 ATOM 604 O HIS A 75 30.943 33.722 -32.548 1.00 16.30 1NCI 804 ATOM 605 CB HIS A 75 28.567 32.191 -33.185 1.00 18.97 1NCI 805 ATOM 606 CG HIS A 75 27.522 31.355 -33.876 1.00 19.85 1NCI 806 ATOM 607 ND1 HIS A 75 27.836 30.453 -34.876 1.00 21.30 1NCI 807 ATOM 608 CD2 HIS A 75 26.188 31.265 -33.689 1.00 20.31 1NCI 808 ATOM 609 CE1 HIS A 75 26.732 29.842 -35.269 1.00 20.50 1NCI 809 ATOM 610 NE2 HIS A 75 25.717 30.311 -34.572 1.00 20.25 1NCI 810 ATOM 611 N LEU A 76 29.767 35.580 -33.084 1.00 15.92 1NCI 811 ATOM 612 CA LEU A 76 30.653 36.469 -32.357 1.00 16.16 1NCI 812 ATOM 613 C LEU A 76 30.023 36.932 -31.061 1.00 16.03 1NCI 813 ATOM 614 O LEU A 76 28.852 36.657 -30.794 1.00 15.63 1NCI 814 ATOM 615 CB LEU A 76 30.987 37.678 -33.250 1.00 16.15 1NCI 815 ATOM 616 CG LEU A 76 31.537 37.418 -34.658 1.00 17.10 1NCI 816 ATOM 617 CD1 LEU A 76 31.730 38.766 -35.370 1.00 16.94 1NCI 817 ATOM 618 CD2 LEU A 76 32.854 36.655 -34.625 1.00 16.40 1NCI 818 ATOM 619 N ARG A 77 30.804 37.642 -30.248 1.00 16.12 1NCI 819 ATOM 620 CA ARG A 77 30.320 38.174 -28.995 1.00 16.26 1NCI 820 ATOM 621 C ARG A 77 30.886 39.613 -28.860 1.00 15.24 1NCI 821 ATOM 622 O ARG A 77 32.085 39.810 -28.987 1.00 14.30 1NCI 822 ATOM 623 CB ARG A 77 30.838 37.275 -27.884 1.00 18.71 1NCI 823 ATOM 624 CG ARG A 77 30.324 37.552 -26.523 1.00 22.98 1NCI 824 ATOM 625 CD ARG A 77 30.357 36.254 -25.688 1.00 25.81 1NCI 825 ATOM 626 NE ARG A 77 29.067 35.576 -25.754 1.00 29.04 1NCI 826 ATOM 627 CZ ARG A 77 28.289 35.342 -24.695 1.00 30.93 1NCI 827 ATOM 628 NH1 ARG A 77 28.689 35.705 -23.470 1.00 30.99 1NCI 828 ATOM 629 NH2 ARG A 77 27.056 34.869 -24.880 1.00 32.33 1NCI 829 ATOM 630 N ALA A 78 30.025 40.610 -28.683 1.00 14.40 1NCI 830 ATOM 631 CA ALA A 78 30.514 41.997 -28.517 1.00 12.90 1NCI 831 ATOM 632 C ALA A 78 30.580 42.307 -27.013 1.00 12.12 1NCI 832 ATOM 633 O ALA A 78 29.745 41.839 -26.235 1.00 12.04 1NCI 833 ATOM 634 CB ALA A 78 29.606 42.991 -29.255 1.00 11.99 1NCI 834 ATOM 635 N HIS A 79 31.577 43.081 -26.590 1.00 10.90 1NCI 835 ATOM 636 CA HIS A 79 31.773 43.408 -25.176 1.00 9.83 1NCI 836 ATOM 637 C HIS A 79 31.846 44.930 -25.032 1.00 9.27 1NCI 837 ATOM 638 O HIS A 79 32.225 45.613 -25.982 1.00 7.97 1NCI 838 ATOM 639 CB HIS A 79 33.101 42.802 -24.671 1.00 11.71 1NCI 839 ATOM 640 CG HIS A 79 33.183 41.305 -24.804 1.00 13.97 1NCI 840 ATOM 641 ND1 HIS A 79 33.411 40.672 -26.013 1.00 15.62 1NCI 841 ATOM 642 CD2 HIS A 79 33.059 40.321 -23.885 1.00 13.61 1NCI 842 ATOM 643 CE1 HIS A 79 33.430 39.361 -25.825 1.00 15.13 1NCI 843 ATOM 644 NE2 HIS A 79 33.218 39.118 -24.545 1.00 15.78 1NCI 844 ATOM 645 N ALA A 80 31.440 45.435 -23.868 1.00 9.38 1NCI 845 ATOM 646 CA ALA A 80 31.451 46.872 -23.566 1.00 10.69 1NCI 846 ATOM 647 C ALA A 80 32.109 46.975 -22.201 1.00 10.46 1NCI 847 ATOM 648 O ALA A 80 31.579 46.493 -21.184 1.00 10.56 1NCI 848 ATOM 649 CB ALA A 80 30.021 47.441 -23.529 1.00 10.82 1NCI 849 ATOM 650 N VAL A 81 33.237 47.668 -22.163 1.00 10.20 1NCI 850 ATOM 651 CA VAL A 81 34.021 47.756 -20.941 1.00 10.72 1NCI 851 ATOM 652 C VAL A 81 34.314 49.221 -20.526 1.00 10.80 1NCI 852 ATOM 653 O VAL A 81 34.458 50.068 -21.405 1.00 9.05 1NCI 853 ATOM 654 CB VAL A 81 35.324 46.961 -21.288 1.00 12.65 1NCI 854 ATOM 655 CG1 VAL A 81 36.572 47.694 -20.969 1.00 14.86 1NCI 855 ATOM 656 CG2 VAL A 81 35.234 45.506 -20.818 1.00 12.04 1NCI 856 ATOM 657 N ASP A 82 34.359 49.495 -19.213 1.00 11.44 1NCI 857 ATOM 658 CA ASP A 82 34.677 50.842 -18.684 1.00 12.07 1NCI 858 ATOM 659 C ASP A 82 36.191 51.120 -18.729 1.00 12.35 1NCI 859 ATOM 660 O ASP A 82 36.964 50.283 -19.212 1.00 9.84 1NCI 860 ATOM 661 CB ASP A 82 34.081 51.064 -17.268 1.00 12.98 1NCI 861 ATOM 662 CG ASP A 82 34.726 50.217 -16.146 1.00 14.70 1NCI 862 ATOM 663 OD1 ASP A 82 35.839 49.663 -16.268 1.00 14.73 1NCI 863 ATOM 664 OD2 ASP A 82 34.092 50.128 -15.059 1.00 15.14 1NCI 864 ATOM 665 N ILE A 83 36.624 52.261 -18.189 1.00 12.38 1NCI 865 ATOM 666 CA ILE A 83 38.046 52.625 -18.227 1.00 11.83 1NCI 866 ATOM 667 C ILE A 83 38.973 51.638 -17.498 1.00 12.26 1NCI 867 ATOM 668 O ILE A 83 40.136 51.484 -17.877 1.00 12.86 1NCI 868 ATOM 669 CB ILE A 83 38.255 54.079 -17.695 1.00 12.03 1NCI 869 ATOM 670 CG1 ILE A 83 39.706 54.535 -17.936 1.00 12.06 1NCI 870 ATOM 671 CG2 ILE A 83 37.884 54.145 -16.227 1.00 12.97 1NCI 871 ATOM 672 CD1 ILE A 83 40.134 54.446 -19.432 1.00 13.77 1NCI 872 ATOM 673 N ASN A 84 38.494 50.957 -16.463 1.00 11.94 1NCI 873 ATOM 674 CA ASN A 84 39.378 49.985 -15.793 1.00 12.68 1NCI 874 ATOM 675 C ASN A 84 39.352 48.621 -16.493 1.00 11.67 1NCI 875 ATOM 676 O ASN A 84 40.141 47.738 -16.159 1.00 12.30 1NCI 876 ATOM 677 CB ASN A 84 39.016 49.789 -14.318 1.00 14.37 1NCI 877 ATOM 678 CG ASN A 84 39.247 51.028 -13.488 1.00 17.70 1NCI 878 ATOM 679 OD1 ASN A 84 40.282 51.689 -13.614 1.00 19.45 1NCI 879 ATOM 680 ND2 ASN A 84 38.282 51.353 -12.631 1.00 18.91 1NCI 880 ATOM 681 N GLY A 85 38.433 48.464 -17.448 1.00 11.21 1NCI 881 ATOM 682 CA GLY A 85 38.301 47.233 -18.194 1.00 11.29 1NCI 882 ATOM 683 C GLY A 85 37.184 46.346 -17.659 1.00 11.28 1NCI 883 ATOM 684 O GLY A 85 37.048 45.214 -18.107 1.00 10.09 1NCI 884 ATOM 685 N ASN A 86 36.410 46.831 -16.693 1.00 11.90 1NCI 885 ATOM 686 CA ASN A 86 35.300 46.046 -16.154 1.00 13.43 1NCI 886 ATOM 687 C ASN A 86 34.144 46.075 -17.167 1.00 13.86 1NCI 887 ATOM 688 O ASN A 86 33.845 47.123 -17.763 1.00 13.22 1NCI 888 ATOM 689 CB ASN A 86 34.824 46.611 -14.802 1.00 14.68 1NCI 889 ATOM 690 CG ASN A 86 35.691 46.170 -13.639 1.00 16.14 1NCI 890 ATOM 691 OD1 ASN A 86 35.880 44.974 -13.399 1.00 18.17 1NCI 891 ATOM 692 ND2 ASN A 86 36.209 47.129 -12.901 1.00 17.63 1NCI 892 ATOM 693 N GLN A 87 33.501 44.933 -17.409 1.00 14.08 1NCI 893 ATOM 694 CA GLN A 87 32.387 44.956 -18.355 1.00 15.91 1NCI 894 ATOM 695 C GLN A 87 31.235 45.695 -17.696 1.00 16.24 1NCI 895 ATOM 696 O GLN A 87 31.010 45.557 -16.478 1.00 16.64 1NCI 896 ATOM 697 CB GLN A 87 31.905 43.549 -18.742 1.00 18.05 1NCI 897 ATOM 698 CG GLN A 87 31.186 42.861 -17.610 1.00 19.83 1NCI 898 ATOM 699 CD GLN A 87 30.448 41.585 -18.038 1.00 22.70 1NCI 899 ATOM 700 OE1 GLN A 87 29.481 41.198 -17.394 1.00 24.21 1NCI 900 ATOM 701 NE2 GLN A 87 30.900 40.938 -19.103 1.00 22.45 1NCI 901 ATOM 702 N VAL A 88 30.536 46.508 -18.480 1.00 16.56 1NCI 902 ATOM 703 CA VAL A 88 29.389 47.268 -17.968 1.00 17.39 1NCI 903 ATOM 704 C VAL A 88 28.067 46.726 -18.542 1.00 17.89 1NCI 904 ATOM 705 O VAL A 88 26.984 47.260 -18.252 1.00 18.94 1NCI 905 ATOM 706 CB VAL A 88 29.500 48.779 -18.266 1.00 17.03 1NCI 906 ATOM 707 CG1 VAL A 88 30.794 49.346 -17.689 1.00 16.59 1NCI 907 ATOM 708 CG2 VAL A 88 29.419 49.027 -19.744 1.00 17.46 1NCI 908 ATOM 709 N GLU A 89 28.183 45.749 -19.440 1.00 17.67 1NCI 909 ATOM 710 CA GLU A 89 27.029 45.054 -20.023 1.00 17.59 1NCI 910 ATOM 711 C GLU A 89 27.434 43.588 -20.057 1.00 17.69 1NCI 911 ATOM 712 O GLU A 89 28.626 43.280 -20.089 1.00 17.02 1NCI 912 ATOM 713 CB GLU A 89 26.797 45.436 -21.480 1.00 17.53 1NCI 913 ATOM 714 CG GLU A 89 26.353 46.860 -21.759 1.00 18.08 1NCI 914 ATOM 715 CD GLU A 89 24.898 47.136 -21.436 1.00 18.61 1NCI 915 ATOM 716 OE1 GLU A 89 24.092 46.216 -21.185 1.00 17.35 1NCI 916 ATOM 717 OE2 GLU A 89 24.528 48.305 -21.435 1.00 16.60 1NCI 917 ATOM 718 N ASN A 90 26.462 42.676 -20.007 1.00 17.37 1NCI 918 ATOM 719 CA ASN A 90 26.798 41.265 -20.178 1.00 16.75 1NCI 919 ATOM 720 C ASN A 90 27.070 41.202 -21.680 1.00 16.62 1NCI 920 ATOM 721 O ASN A 90 26.458 41.949 -22.461 1.00 15.24 1NCI 921 ATOM 722 CB ASN A 90 25.599 40.365 -19.868 1.00 18.47 1NCI 922 ATOM 723 CG ASN A 90 25.226 40.366 -18.398 1.00 20.46 1NCI 923 ATOM 724 OD1 ASN A 90 24.050 40.462 -18.052 1.00 22.89 1NCI 924 ATOM 725 ND2 ASN A 90 26.210 40.250 -17.532 1.00 21.80 1NCI 925 ATOM 726 N PRO A 91 28.057 40.393 -22.106 1.00 16.06 1NCI 926 ATOM 727 CA PRO A 91 28.383 40.263 -23.528 1.00 16.50 1NCI 927 ATOM 728 C PRO A 91 27.113 39.926 -24.317 1.00 17.32 1NCI 928 ATOM 729 O PRO A 91 26.188 39.299 -23.763 1.00 17.43 1NCI 929 ATOM 730 CB PRO A 91 29.355 39.080 -23.547 1.00 16.98 1NCI 930 ATOM 731 CG PRO A 91 30.026 39.179 -22.229 1.00 16.38 1NCI 931 ATOM 732 CD PRO A 91 28.907 39.521 -21.282 1.00 16.35 1NCI 932 ATOM 733 N ILE A 92 27.063 40.333 -25.582 1.00 17.33 1NCI 933 ATOM 734 CA ILE A 92 25.897 40.066 -26.423 1.00 17.86 1NCI 934 ATOM 735 C ILE A 92 26.286 39.249 -27.671 1.00 17.47 1NCI 935 ATOM 736 O ILE A 92 27.296 39.532 -28.310 1.00 17.48 1NCI 936 ATOM 737 CB ILE A 92 25.194 41.419 -26.804 1.00 17.36 1NCI 937 ATOM 738 CG1 ILE A 92 23.755 41.165 -27.293 1.00 18.72 1NCI 938 ATOM 739 CG2 ILE A 92 26.016 42.188 -27.843 1.00 18.29 1NCI 939 ATOM 740 CD1 ILE A 92 22.875 42.432 -27.394 1.00 18.07 1NCI 940 ATOM 741 N ASP A 93 25.511 38.225 -28.028 1.00 17.59 1NCI 941 ATOM 742 CA ASP A 93 25.839 37.423 -29.222 1.00 18.60 1NCI 942 ATOM 743 C ASP A 93 25.526 38.115 -30.555 1.00 17.92 1NCI 943 ATOM 744 O ASP A 93 24.500 38.771 -30.687 1.00 17.04 1NCI 944 ATOM 745 CB ASP A 93 25.091 36.093 -29.211 1.00 20.83 1NCI 945 ATOM 746 CG ASP A 93 25.477 35.202 -28.056 1.00 23.15 1NCI 946 ATOM 747 OD1 ASP A 93 26.671 35.134 -27.659 1.00 26.11 1NCI 947 ATOM 748 OD2 ASP A 93 24.577 34.519 -27.543 1.00 26.36 1NCI 948 ATOM 749 N ILE A 94 26.422 37.982 -31.534 1.00 17.91 1NCI 949 ATOM 750 CA ILE A 94 26.227 38.558 -32.872 1.00 17.46 1NCI 950 ATOM 751 C ILE A 94 26.335 37.394 -33.884 1.00 18.07 1NCI 951 ATOM 752 O ILE A 94 27.322 36.635 -33.852 1.00 18.59 1NCI 952 ATOM 753 CB ILE A 94 27.351 39.561 -33.233 1.00 17.98 1NCI 953 ATOM 754 CG1 ILE A 94 27.376 40.739 -32.259 1.00 17.36 1NCI 954 ATOM 755 CG2 ILE A 94 27.188 40.057 -34.680 1.00 17.50 1NCI 955 ATOM 756 CD1 ILE A 94 28.556 41.637 -32.512 1.00 20.27 1NCI 956 ATOM 757 N VAL A 95 25.346 37.230 -34.760 1.00 16.79 1NCI 957 ATOM 758 CA VAL A 95 25.427 36.161 -35.746 1.00 16.89 1NCI 958 ATOM 759 C VAL A 95 25.509 36.744 -37.135 1.00 16.05 1NCI 959 ATOM 760 O VAL A 95 24.688 37.591 -37.482 1.00 16.72 1NCI 960 ATOM 761 CB VAL A 95 24.208 35.224 -35.701 1.00 17.58 1NCI 961 ATOM 762 CG1 VAL A 95 24.298 34.176 -36.819 1.00 17.47 1NCI 962 ATOM 763 CG2 VAL A 95 24.083 34.596 -34.347 1.00 18.24 1NCI 963 ATOM 764 N ILE A 96 26.511 36.334 -37.910 1.00 14.75 1NCI 964 ATOM 765 CA ILE A 96 26.666 36.790 -39.288 1.00 14.42 1NCI 965 ATOM 766 C ILE A 96 26.472 35.592 -40.253 1.00 15.15 1NCI 966 ATOM 767 O ILE A 96 27.272 34.658 -40.254 1.00 14.67 1NCI 967 ATOM 768 CB AILE A 96 28.067 37.427 -39.533 0.70 14.85 1NCI 968 ATOM 769 CB BILE A 96 28.082 37.377 -39.536 0.37 14.77 1NCI 969 ATOM 770 CG1AILE A 96 28.276 38.634 -38.613 0.70 16.10 1NCI 970 ATOM 771 CG1BILE A 96 28.446 38.399 -38.455 0.37 15.21 1NCI 971 ATOM 772 CG2AILE A 96 28.185 37.878 -40.993 0.70 14.46 1NCI 972 ATOM 773 CG2BILE A 96 28.150 38.013 -40.925 0.37 14.53 1NCI 973 ATOM 774 CD1AILE A 96 29.636 38.684 -37.933 0.70 15.51 1NCI 974 ATOM 775 CD1BILE A 96 27.625 39.679 -38.492 0.37 14.54 1NCI 975 ATOM 776 N ASN A 97 25.430 35.628 -41.074 1.00 15.15 1NCI 976 ATOM 777 CA ASN A 97 25.162 34.556 -42.025 1.00 16.60 1NCI 977 ATOM 778 C ASN A 97 25.664 34.961 -43.393 1.00 15.34 1NCI 978 ATOM 779 O ASN A 97 25.360 36.064 -43.845 1.00 15.52 1NCI 979 ATOM 780 CB ASN A 97 23.646 34.291 -42.134 1.00 19.27 1NCI 980 ATOM 781 CG ASN A 97 23.037 33.824 -40.837 1.00 22.32 1NCI 981 ATOM 782 OD1 ASN A 97 23.321 32.721 -40.365 1.00 25.17 1NCI 982 ATOM 783 ND2 ASN A 97 22.191 34.659 -40.240 1.00 24.30 1NCI 983 ATOM 784 N VAL A 98 26.427 34.094 -44.057 1.00 14.86 1NCI 984 ATOM 785 CA VAL A 98 26.928 34.379 -45.401 1.00 14.43 1NCI 985 ATOM 786 C VAL A 98 25.910 33.718 -46.344 1.00 15.31 1NCI 986 ATOM 787 O VAL A 98 25.738 32.498 -46.299 1.00 14.78 1NCI 987 ATOM 788 CB VAL A 98 28.331 33.782 -45.635 1.00 13.70 1NCI 988 ATOM 789 CG1 VAL A 98 28.845 34.191 -46.999 1.00 14.17 1NCI 989 ATOM 790 CG2 VAL A 98 29.288 34.230 -44.521 1.00 15.07 1NCI 990 ATOM 791 N ILE A 99 25.211 34.536 -47.133 1.00 16.31 1NCI 991 ATOM 792 CA ILE A 99 24.149 34.069 -48.027 1.00 17.48 1NCI 992 ATOM 793 C ILE A 99 24.476 34.120 -49.522 1.00 18.61 1NCI 993 ATOM 794 O ILE A 99 25.217 34.994 -50.001 1.00 18.44 1NCI 994 ATOM 795 CB ILE A 99 22.803 34.866 -47.829 1.00 18.68 1NCI 995 ATOM 796 CG1 ILE A 99 22.982 36.321 -48.252 1.00 19.86 1NCI 996 ATOM 797 CG2 ILE A 99 22.292 34.802 -46.364 1.00 18.57 1NCI 997 ATOM 798 CD1 ILE A 99 21.669 37.080 -48.393 1.00 21.89 1NCI 998 ATOM 799 N ASP A 100 23.898 33.170 -50.250 1.00 19.95 1NCI 999 ATOM 800 CA ASP A 100 24.065 33.035 -51.697 1.00 21.46 1NCI1000 ATOM 801 C ASP A 100 22.702 33.174 -52.386 1.00 22.62 1NCI1001 ATOM 802 O ASP A 100 22.293 34.267 -52.758 1.00 23.90 1NCI1002 ATOM 803 CB ASP A 100 24.613 31.652 -52.013 1.00 21.28 1NCI1003 ATOM 804 CG ASP A 100 24.918 31.444 -53.491 1.00 22.32 1NCI1004 ATOM 805 OD1 ASP A 100 24.630 32.321 -54.336 1.00 22.75 1NCI1005 ATOM 806 OD2 ASP A 100 25.470 30.383 -53.821 1.00 23.91 1NCI1006 TER 807 ASP A 100 1NCI1007 ATOM 808 N GLY B -2 19.061 46.590 -16.058 1.00 20.66 1NCI1008 ATOM 809 CA GLY B -2 19.156 45.676 -17.178 1.00 20.48 1NCI1009 ATOM 810 C GLY B -2 20.178 46.044 -18.232 1.00 20.67 1NCI1010 ATOM 811 O GLY B -2 21.026 46.934 -18.028 1.00 21.29 1NCI1011 ATOM 812 N SER B -1 20.145 45.319 -19.342 1.00 19.74 1NCI1012 ATOM 813 CA SER B -1 21.066 45.571 -20.444 1.00 19.30 1NCI1013 ATOM 814 C SER B -1 20.643 46.852 -21.149 1.00 18.69 1NCI1014 ATOM 815 O SER B -1 19.486 47.293 -21.041 1.00 18.85 1NCI1015 ATOM 816 CB SER B -1 20.999 44.427 -21.455 1.00 20.50 1NCI1016 ATOM 817 OG SER B -1 21.134 43.160 -20.824 1.00 21.77 1NCI1017 ATOM 818 N ASP B 1 21.580 47.466 -21.852 1.00 17.31 1NCI1018 ATOM 819 CA ASP B 1 21.268 48.657 -22.601 1.00 16.16 1NCI1019 ATOM 820 C ASP B 1 21.852 48.588 -23.997 1.00 14.77 1NCI1020 ATOM 821 O ASP B 1 22.073 49.620 -24.628 1.00 12.68 1NCI1021 ATOM 822 CB ASP B 1 21.697 49.919 -21.849 1.00 18.16 1NCI1022 ATOM 823 CG ASP B 1 20.966 51.171 -22.329 1.00 19.83 1NCI1023 ATOM 824 OD1 ASP B 1 20.009 51.096 -23.146 1.00 21.77 1NCI1024 ATOM 825 OD2 ASP B 1 21.348 52.256 -21.880 1.00 21.87 1NCI1025 ATOM 826 N TRP B 2 22.126 47.367 -24.488 1.00 12.88 1NCI1026 ATOM 827 CA TRP B 2 22.601 47.230 -25.864 1.00 12.56 1NCI1027 ATOM 828 C TRP B 2 21.457 47.778 -26.747 1.00 12.83 1NCI1028 ATOM 829 O TRP B 2 20.283 47.582 -26.412 1.00 13.63 1NCI1029 ATOM 830 CB TRP B 2 22.863 45.759 -26.241 1.00 12.28 1NCI1030 ATOM 831 CG TRP B 2 24.087 45.168 -25.612 1.00 10.90 1NCI1031 ATOM 832 CD1 TRP B 2 24.136 44.279 -24.562 1.00 11.47 1NCI1032 ATOM 833 CD2 TRP B 2 25.444 45.423 -25.991 1.00 10.39 1NCI1033 ATOM 834 NE1 TRP B 2 25.448 43.962 -24.279 1.00 10.92 1NCI1034 ATOM 835 CE2 TRP B 2 26.267 44.649 -25.142 1.00 9.88 1NCI1035 ATOM 836 CE3 TRP B 2 26.041 46.219 -26.971 1.00 8.64 1NCI1036 ATOM 837 CZ2 TRP B 2 27.661 44.655 -25.246 1.00 10.71 1NCI1037 ATOM 838 CZ3 TRP B 2 27.462 46.218 -27.074 1.00 8.54 1NCI1038 ATOM 839 CH2 TRP B 2 28.236 45.447 -26.227 1.00 8.50 1NCI1039 ATOM 840 N VAL B 3 21.795 48.438 -27.847 1.00 12.52 1NCI1040 ATOM 841 CA VAL B 3 20.814 49.032 -28.755 1.00 13.21 1NCI1041 ATOM 842 C VAL B 3 20.596 48.155 -29.994 1.00 13.60 1NCI1042 ATOM 843 O VAL B 3 21.566 47.660 -30.595 1.00 12.76 1NCI1043 ATOM 844 CB VAL B 3 21.282 50.449 -29.223 1.00 13.75 1NCI1044 ATOM 845 CG1 VAL B 3 20.301 51.037 -30.265 1.00 14.93 1NCI1045 ATOM 846 CG2 VAL B 3 21.377 51.387 -28.020 1.00 14.29 1NCI1046 ATOM 847 N ILE B 4 19.330 47.932 -30.355 1.00 13.00 1NCI1047 ATOM 848 CA ILE B 4 19.009 47.134 -31.542 1.00 13.97 1NCI1048 ATOM 849 C ILE B 4 19.217 47.995 -32.782 1.00 13.94 1NCI1049 ATOM 850 O ILE B 4 18.664 49.101 -32.874 1.00 15.27 1NCI1050 ATOM 851 CB ILE B 4 17.529 46.658 -31.537 1.00 14.02 1NCI1051 ATOM 852 CG1 ILE B 4 17.233 45.861 -30.269 1.00 15.35 1NCI1052 ATOM 853 CG2 ILE B 4 17.195 45.877 -32.839 1.00 13.95 1NCI1053 ATOM 854 CD1 ILE B 4 18.010 44.543 -30.112 1.00 16.35 1NCI1054 ATOM 855 N PRO B 5 19.988 47.499 -33.763 1.00 14.17 1NCI1055 ATOM 856 CA PRO B 5 20.260 48.231 -34.998 1.00 14.52 1NCI1056 ATOM 857 C PRO B 5 18.976 48.548 -35.739 1.00 15.37 1NCI1057 ATOM 858 O PRO B 5 18.028 47.731 -35.758 1.00 15.17 1NCI1058 ATOM 859 CB PRO B 5 21.106 47.237 -35.806 1.00 14.09 1NCI1059 ATOM 860 CG PRO B 5 21.806 46.455 -34.721 1.00 14.84 1NCI1060 ATOM 861 CD PRO B 5 20.686 46.204 -33.764 1.00 13.84 1NCI1061 ATOM 862 N PRO B 6 18.916 49.739 -36.357 1.00 15.99 1NCI1062 ATOM 863 CA PRO B 6 17.752 50.187 -37.127 1.00 16.46 1NCI1063 ATOM 864 C PRO B 6 17.464 49.200 -38.252 1.00 16.57 1NCI1064 ATOM 865 O PRO B 6 18.378 48.547 -38.794 1.00 16.63 1NCI1065 ATOM 866 CB PRO B 6 18.212 51.534 -37.698 1.00 17.43 1NCI1066 ATOM 867 CG PRO B 6 19.136 52.052 -36.668 1.00 17.66 1NCI1067 ATOM 868 CD PRO B 6 19.941 50.801 -36.274 1.00 17.31 1NCI1068 ATOM 869 N ILE B 7 16.184 49.033 -38.550 1.00 16.16 1NCI1069 ATOM 870 CA ILE B 7 15.735 48.144 -39.600 1.00 16.93 1NCI1070 ATOM 871 C ILE B 7 15.435 49.047 -40.803 1.00 17.62 1NCI1071 ATOM 872 O ILE B 7 14.687 50.023 -40.687 1.00 18.30 1NCI1072 ATOM 873 CB ILE B 7 14.450 47.374 -39.147 1.00 16.34 1NCI1073 ATOM 874 CG1 ILE B 7 14.735 46.643 -37.832 1.00 16.71 1NCI1074 ATOM 875 CG2 ILE B 7 13.945 46.439 -40.279 1.00 16.79 1NCI1075 ATOM 876 CD1 ILE B 7 13.525 46.321 -37.007 1.00 15.27 1NCI1076 ATOM 877 N ASN B 8 16.031 48.742 -41.945 1.00 17.79 1NCI1077 ATOM 878 CA ASN B 8 15.823 49.533 -43.150 1.00 18.05 1NCI1078 ATOM 879 C ASN B 8 14.931 48.719 -44.069 1.00 18.02 1NCI1079 ATOM 880 O ASN B 8 15.280 47.602 -44.462 1.00 19.07 1NCI1080 ATOM 881 CB ASN B 8 17.160 49.864 -43.829 1.00 19.25 1NCI1081 ATOM 882 CG ASN B 8 18.109 50.607 -42.913 1.00 20.53 1NCI1082 ATOM 883 OD1 ASN B 8 17.800 51.701 -42.422 1.00 21.37 1NCI1083 ATOM 884 ND2 ASN B 8 19.267 50.002 -42.645 1.00 20.99 1NCI1084 ATOM 885 N LEU B 9 13.772 49.279 -44.402 1.00 16.64 1NCI1085 ATOM 886 CA LEU B 9 12.794 48.604 -45.246 1.00 15.90 1NCI1086 ATOM 887 C LEU B 9 12.543 49.383 -46.538 1.00 15.80 1NCI1087 ATOM 888 O LEU B 9 12.243 50.566 -46.484 1.00 15.40 1NCI1088 ATOM 889 CB LEU B 9 11.481 48.497 -44.463 1.00 16.66 1NCI1089 ATOM 890 CG LEU B 9 10.152 48.257 -45.208 1.00 16.63 1NCI1090 ATOM 891 CD1 LEU B 9 10.135 46.839 -45.775 1.00 17.58 1NCI1091 ATOM 892 CD2 LEU B 9 8.994 48.420 -44.254 1.00 16.85 1NCI1092 ATOM 893 N PRO B 10 12.681 48.733 -47.708 1.00 15.35 1NCI1093 ATOM 894 CA PRO B 10 12.447 49.420 -48.988 1.00 14.96 1NCI1094 ATOM 895 C PRO B 10 11.015 49.978 -49.090 1.00 14.63 1NCI1095 ATOM 896 O PRO B 10 10.024 49.330 -48.700 1.00 13.98 1NCI1096 ATOM 897 CB PRO B 10 12.648 48.314 -50.023 1.00 15.10 1NCI1097 ATOM 898 CG PRO B 10 13.679 47.452 -49.382 1.00 15.28 1NCI1098 ATOM 899 CD PRO B 10 13.183 47.364 -47.937 1.00 15.78 1NCI1099 ATOM 900 N GLU B 11 10.915 51.158 -49.675 1.00 13.98 1NCI1100 ATOM 901 CA GLU B 11 9.622 51.806 -49.856 1.00 14.71 1NCI1101 ATOM 902 C GLU B 11 8.795 51.075 -50.910 1.00 15.17 1NCI1102 ATOM 903 O GLU B 11 9.329 50.602 -51.912 1.00 15.11 1NCI1103 ATOM 904 CB GLU B 11 9.822 53.240 -50.282 1.00 14.49 1NCI1104 ATOM 905 CG GLU B 11 8.500 53.970 -50.395 1.00 14.66 1NCI1105 ATOM 906 CD GLU B 11 8.675 55.363 -50.933 1.00 17.66 1NCI1106 ATOM 907 OE1 GLU B 11 9.747 55.647 -51.496 1.00 18.48 1NCI1107 ATOM 908 OE2 GLU B 11 7.741 56.166 -50.750 1.00 16.39 1NCI1108 ATOM 909 N ASN B 12 7.488 51.009 -50.690 1.00 16.69 1NCI1109 ATOM 910 CA ASN B 12 6.563 50.333 -51.594 1.00 19.17 1NCI1110 ATOM 911 C ASN B 12 7.043 48.990 -52.146 1.00 19.83 1NCI1111 ATOM 912 O ASN B 12 7.088 48.758 -53.351 1.00 18.76 1NCI1112 ATOM 913 CB ASN B 12 6.110 51.292 -52.690 1.00 21.47 1NCI1113 ATOM 914 CG ASN B 12 5.270 52.430 -52.121 1.00 24.73 1NCI1114 ATOM 915 OD1 ASN B 12 4.209 52.211 -51.554 1.00 27.25 1NCI1115 ATOM 916 ND2 ASN B 12 5.816 53.625 -52.142 1.00 27.15 1NCI1116 ATOM 917 N SER B 13 7.349 48.093 -51.220 1.00 21.14 1NCI1117 ATOM 918 CA SER B 13 7.810 46.755 -51.542 1.00 23.58 1NCI1118 ATOM 919 C SER B 13 6.656 45.917 -52.122 1.00 24.48 1NCI1119 ATOM 920 O SER B 13 5.475 46.146 -51.807 1.00 24.33 1NCI1120 ATOM 921 CB SER B 13 8.367 46.101 -50.269 1.00 24.14 1NCI1121 ATOM 922 OG SER B 13 8.375 44.678 -50.368 1.00 27.15 1NCI1122 ATOM 923 N ARG B 14 7.016 44.917 -52.926 1.00 26.08 1NCI1123 ATOM 924 CA ARG B 14 6.065 44.005 -53.563 1.00 27.46 1NCI1124 ATOM 925 C ARG B 14 5.658 42.876 -52.619 1.00 27.47 1NCI1125 ATOM 926 O ARG B 14 4.709 42.141 -52.897 1.00 27.46 1NCI1126 ATOM 927 CB ARG B 14 6.661 43.389 -54.834 1.00 29.50 1NCI1127 ATOM 928 CG ARG B 14 6.675 44.306 -56.058 1.00 32.79 1NCI1128 ATOM 929 CD ARG B 14 7.199 43.564 -57.301 1.00 35.72 1NCI1129 ATOM 930 NE ARG B 14 7.373 44.466 -58.442 1.00 39.27 1NCI1130 ATOM 931 CZ ARG B 14 8.029 44.155 -59.562 1.00 40.90 1NCI1131 ATOM 932 NH1 ARG B 14 8.586 42.947 -59.707 1.00 41.50 1NCI1132 ATOM 933 NH2 ARG B 14 8.141 45.054 -60.537 1.00 41.72 1NCI1133 ATOM 934 N GLY B 15 6.371 42.729 -51.510 1.00 27.06 1NCI1134 ATOM 935 CA GLY B 15 6.041 41.669 -50.572 1.00 26.55 1NCI1135 ATOM 936 C GLY B 15 6.497 40.317 -51.096 1.00 26.26 1NCI1136 ATOM 937 O GLY B 15 7.587 40.233 -51.662 1.00 26.31 1NCI1137 ATOM 938 N PRO B 16 5.662 39.262 -51.026 1.00 25.41 4 1NCI1138 ATOM 939 CA PRO B 16 4.293 39.159 -50.516 1.00 24.68 4 1NCI1139 ATOM 940 C PRO B 16 4.174 39.524 -49.053 1.00 23.69 4 1NCI1140 ATOM 941 O PRO B 16 5.176 39.605 -48.335 1.00 23.01 4 1NCI1141 ATOM 942 CB PRO B 16 3.965 37.676 -50.708 1.00 24.84 4 1NCI1142 ATOM 943 CG PRO B 16 4.834 37.263 -51.806 1.00 25.30 4 1NCI1143 ATOM 944 CD PRO B 16 6.125 37.944 -51.485 1.00 25.06 4 1NCI1144 ATOM 945 N PHE B 17 2.929 39.678 -48.610 1.00 23.26 1NCI1145 ATOM 946 CA PHE B 17 2.641 40.062 -47.241 1.00 22.85 1NCI1146 ATOM 947 C PHE B 17 1.895 39.011 -46.442 1.00 23.18 1NCI1147 ATOM 948 O PHE B 17 1.080 38.267 -47.001 1.00 23.84 1NCI1148 ATOM 949 CB PHE B 17 1.908 41.400 -47.248 1.00 21.39 1NCI1149 ATOM 950 CG PHE B 17 2.713 42.494 -47.883 1.00 20.24 1NCI1150 ATOM 951 CD1 PHE B 17 3.769 43.082 -47.186 1.00 18.73 1NCI1151 ATOM 952 CD2 PHE B 17 2.481 42.879 -49.197 1.00 19.92 1NCI1152 ATOM 953 CE1 PHE B 17 4.575 44.024 -47.785 1.00 17.34 1NCI1153 ATOM 954 CE2 PHE B 17 3.295 43.831 -49.805 1.00 19.91 1NCI1154 ATOM 955 CZ PHE B 17 4.342 44.394 -49.088 1.00 18.18 1NCI1155 ATOM 956 N PRO B 18 2.205 38.888 -45.137 1.00 23.07 5 1NCI1156 ATOM 957 CA PRO B 18 3.205 39.672 -44.407 1.00 22.46 5 1NCI1157 ATOM 958 C PRO B 18 4.628 39.403 -44.842 1.00 22.27 5 1NCI1158 ATOM 959 O PRO B 18 4.969 38.299 -45.314 1.00 22.18 5 1NCI1159 ATOM 960 CB PRO B 18 2.993 39.246 -42.953 1.00 22.94 5 1NCI1160 ATOM 961 CG PRO B 18 2.459 37.820 -43.089 1.00 23.88 5 1NCI1161 ATOM 962 CD PRO B 18 1.455 38.025 -44.209 1.00 23.36 5 1NCI1162 ATOM 963 N GLN B 19 5.459 40.424 -44.694 1.00 20.79 1NCI1163 ATOM 964 CA GLN B 19 6.856 40.326 -45.062 1.00 20.35 1NCI1164 ATOM 965 C GLN B 19 7.711 40.383 -43.793 1.00 19.00 1NCI1165 ATOM 966 O GLN B 19 7.623 41.319 -42.996 1.00 17.49 1NCI1166 ATOM 967 CB GLN B 19 7.217 41.473 -46.004 1.00 21.80 1NCI1167 ATOM 968 CG GLN B 19 8.580 41.382 -46.626 1.00 25.45 1NCI1168 ATOM 969 CD GLN B 19 8.976 42.684 -47.258 1.00 28.06 1NCI1169 ATOM 970 OE1 GLN B 19 8.247 43.229 -48.093 1.00 30.43 1NCI1170 ATOM 971 NE2 GLN B 19 10.101 43.239 -46.822 1.00 29.06 1NCI1171 ATOM 972 N GLU B 20 8.532 39.359 -43.609 1.00 18.63 1NCI1172 ATOM 973 CA GLU B 20 9.425 39.252 -42.458 1.00 18.03 1NCI1173 ATOM 974 C GLU B 20 10.471 40.338 -42.510 1.00 16.82 1NCI1174 ATOM 975 O GLU B 20 11.085 40.534 -43.549 1.00 16.41 1NCI1175 ATOM 976 CB GLU B 20 10.168 37.899 -42.490 1.00 19.63 1NCI1176 ATOM 977 CG GLU B 20 9.312 36.655 -42.392 1.00 23.24 1NCI1177 ATOM 978 CD GLU B 20 10.143 35.425 -42.208 1.00 25.53 1NCI1178 ATOM 979 OE1 GLU B 20 11.393 35.518 -42.128 1.00 26.98 1NCI1179 ATOM 980 OE2 GLU B 20 9.484 34.402 -41.891 1.00 27.25 1NCI1180 ATOM 981 N LEU B 21 10.740 40.960 -41.365 1.00 16.24 1NCI1181 ATOM 982 CA LEU B 21 11.731 42.018 -41.242 1.00 16.31 1NCI1182 ATOM 983 C LEU B 21 12.920 41.567 -40.411 1.00 16.37 1NCI1183 ATOM 984 O LEU B 21 14.033 41.407 -40.931 1.00 17.05 1NCI1184 ATOM 985 CB LEU B 21 11.116 43.240 -40.568 1.00 16.99 1NCI1185 ATOM 986 CG LEU B 21 10.053 43.972 -41.385 1.00 16.52 1NCI1186 ATOM 987 CD1 LEU B 21 9.603 45.202 -40.599 1.00 16.96 1NCI1187 ATOM 988 CD2 LEU B 21 10.665 44.386 -42.744 1.00 17.83 1NCI1188 ATOM 989 N VAL B 22 12.654 41.279 -39.143 1.00 16.52 1NCI1189 ATOM 990 CA VAL B 22 13.681 40.872 -38.224 1.00 17.24 1NCI1190 ATOM 991 C VAL B 22 13.058 40.132 -37.056 1.00 17.13 1NCI1191 ATOM 992 O VAL B 22 11.849 40.210 -36.852 1.00 16.78 1NCI1192 ATOM 993 CB VAL B 22 14.429 42.132 -37.747 1.00 19.07 1NCI1193 ATOM 994 CG1 VAL B 22 13.623 42.927 -36.736 1.00 18.92 1NCI1194 ATOM 995 CG2 VAL B 22 15.719 41.770 -37.238 1.00 20.48 1NCI1195 ATOM 996 N ARG B 23 13.862 39.356 -36.332 1.00 15.73 1NCI1196 ATOM 997 CA ARG B 23 13.383 38.632 -35.180 1.00 15.69 1NCI1197 ATOM 998 C ARG B 23 13.945 39.297 -33.919 1.00 15.43 1NCI1198 ATOM 999 O ARG B 23 15.154 39.482 -33.820 1.00 15.13 1NCI1199 ATOM 1000 CB ARG B 23 13.823 37.171 -35.277 1.00 17.33 1NCI1200 ATOM 1001 CG ARG B 23 13.429 36.350 -34.141 1.00 19.62 1NCI1201 ATOM 1002 CD ARG B 23 13.572 34.885 -34.494 1.00 22.51 1NCI1202 ATOM 1003 NE ARG B 23 13.262 34.075 -33.318 1.00 24.96 1NCI1203 ATOM 1004 CZ ARG B 23 13.631 32.817 -33.160 1.00 25.06 1NCI1204 ATOM 1005 NH1 ARG B 23 14.333 32.203 -34.107 1.00 25.82 1NCI1205 ATOM 1006 NH2 ARG B 23 13.317 32.192 -32.039 1.00 24.58 1NCI1206 ATOM 1007 N ILE B 24 13.066 39.707 -33.007 1.00 15.42 1NCI1207 ATOM 1008 CA ILE B 24 13.465 40.362 -31.751 1.00 17.23 1NCI1208 ATOM 1009 C ILE B 24 13.069 39.453 -30.596 1.00 17.77 1NCI1209 ATOM 1010 O ILE B 24 11.873 39.321 -30.292 1.00 17.74 1NCI1210 ATOM 1011 CB ILE B 24 12.707 41.704 -31.500 1.00 18.28 1NCI1211 ATOM 1012 CG1 ILE B 24 12.682 42.579 -32.763 1.00 20.12 1NCI1212 ATOM 1013 CG2 ILE B 24 13.297 42.415 -30.254 1.00 17.87 1NCI1213 ATOM 1014 CD1 ILE B 24 14.029 43.064 -33.220 1.00 20.85 1NCI1214 ATOM 1015 N ARG B 25 14.059 38.887 -29.908 1.00 18.09 1NCI1215 ATOM 1016 CA ARG B 25 13.796 37.975 -28.804 1.00 19.61 1NCI1216 ATOM 1017 C ARG B 25 14.776 38.153 -27.635 1.00 19.16 1NCI1217 ATOM 1018 O ARG B 25 15.856 38.725 -27.799 1.00 19.67 1NCI1218 ATOM 1019 CB ARG B 25 13.857 36.536 -29.338 1.00 21.86 1NCI1219 ATOM 1020 CG ARG B 25 15.245 36.179 -29.905 1.00 25.37 1NCI1220 ATOM 1021 CD ARG B 25 15.282 34.831 -30.637 1.00 29.67 1NCI1221 ATOM 1022 N SER B 26 14.400 37.613 -26.482 1.00 19.82 1NCI1222 ATOM 1023 CA SER B 26 15.173 37.689 -25.244 1.00 20.56 1NCI1223 ATOM 1024 C SER B 26 16.323 36.683 -25.256 1.00 21.20 1NCI1224 ATOM 1025 O SER B 26 17.458 37.037 -24.897 1.00 21.41 1NCI1225 ATOM 1026 CB ASER B 26 14.254 37.414 -24.057 0.60 21.89 1NCI1226 ATOM 1027 CB BSER B 26 14.256 37.414 -24.056 0.40 21.89 1NCI1227 ATOM 1028 OG ASER B 26 14.926 37.425 -22.810 0.60 23.97 1NCI1228 ATOM 1029 OG BSER B 26 14.942 37.429 -22.817 0.40 23.97 1NCI1229 ATOM 1030 N SER B 33 7.418 29.796 -22.220 1.00 25.84 1NCI1230 ATOM 1031 CA SER B 33 8.258 30.641 -21.374 1.00 24.23 1NCI1231 ATOM 1032 C SER B 33 7.885 32.117 -21.527 1.00 22.85 1NCI1232 ATOM 1033 O SER B 33 7.139 32.648 -20.697 1.00 23.78 1NCI1233 ATOM 1034 CB SER B 33 9.732 30.451 -21.723 1.00 25.73 1NCI1234 ATOM 1035 OG SER B 33 10.587 31.219 -20.879 1.00 25.87 1NCI1235 ATOM 1036 N LEU B 34 8.381 32.760 -22.587 1.00 20.31 1NCI1236 ATOM 1037 CA LEU B 34 8.118 34.190 -22.790 1.00 17.67 1NCI1237 ATOM 1038 C LEU B 34 7.162 34.467 -23.936 1.00 16.10 1NCI1238 ATOM 1039 O LEU B 34 7.025 33.671 -24.871 1.00 16.36 1NCI1239 ATOM 1040 CB LEU B 34 9.417 34.962 -23.045 1.00 17.73 1NCI1240 ATOM 1041 CG LEU B 34 10.566 34.943 -22.029 1.00 18.52 1NCI1241 ATOM 1042 CD1 LEU B 34 11.662 35.892 -22.485 1.00 18.76 1NCI1242 ATOM 1043 CD2 LEU B 34 10.090 35.353 -20.649 1.00 17.37 1NCI1243 ATOM 1044 N ARG B 35 6.507 35.621 -23.873 1.00 14.09 1NCI1244 ATOM 1045 CA ARG B 35 5.589 36.018 -24.918 1.00 12.50 1NCI1245 ATOM 1046 C ARG B 35 5.961 37.460 -25.284 1.00 11.66 1NCI1246 ATOM 1047 O ARG B 35 6.215 38.287 -24.398 1.00 11.17 1NCI1247 ATOM 1048 CB ARG B 35 4.160 35.908 -24.437 1.00 12.31 1NCI1248 ATOM 1049 CG ARG B 35 3.664 34.474 -24.267 1.00 13.45 1NCI1249 ATOM 1050 CD ARG B 35 3.792 33.665 -25.563 1.00 14.58 1NCI1250 ATOM 1051 NE ARG B 35 3.261 32.304 -25.440 1.00 15.88 1NCI1251 ATOM 1052 CZ ARG B 35 3.976 31.238 -25.097 1.00 16.69 1NCI1252 ATOM 1053 NH1 ARG B 35 5.276 31.343 -24.816 1.00 14.59 1NCI1253 ATOM 1054 NH2 ARG B 35 3.393 30.046 -25.089 1.00 17.90 1NCI1254 ATOM 1055 N TYR B 36 6.012 37.724 -26.587 1.00 10.50 1NCI1255 ATOM 1056 CA TYR B 36 6.415 39.019 -27.147 1.00 9.92 1NCI1256 ATOM 1057 C TYR B 36 5.260 39.847 -27.698 1.00 9.26 1NCI1257 ATOM 1058 O TYR B 36 4.299 39.309 -28.246 1.00 8.55 1NCI1258 ATOM 1059 CB TYR B 36 7.404 38.770 -28.267 1.00 10.42 1NCI1259 ATOM 1060 CG TYR B 36 8.634 38.037 -27.772 1.00 12.42 1NCI1260 ATOM 1061 CD1 TYR B 36 9.559 38.701 -26.990 1.00 12.62 1NCI1261 ATOM 1062 CD2 TYR B 36 8.830 36.675 -28.030 1.00 13.39 1NCI1262 ATOM 1063 CE1 TYR B 36 10.657 38.048 -26.449 1.00 14.04 1NCI1263 ATOM 1064 CE2 TYR B 36 9.950 35.999 -27.481 1.00 13.82 1NCI1264 ATOM 1065 CZ TYR B 36 10.846 36.705 -26.693 1.00 14.30 1NCI1265 ATOM 1066 OH TYR B 36 11.946 36.118 -26.105 1.00 15.07 1NCI1266 ATOM 1067 N SER B 37 5.400 41.168 -27.624 1.00 8.69 1NCI1267 ATOM 1068 CA SER B 37 4.359 42.058 -28.129 1.00 7.11 1NCI1268 ATOM 1069 C SER B 37 5.103 43.303 -28.607 1.00 8.22 1NCI1269 ATOM 1070 O SER B 37 6.281 43.509 -28.232 1.00 7.93 1NCI1270 ATOM 1071 CB ASER B 37 3.354 42.395 -27.018 0.79 7.56 1NCI1271 ATOM 1072 CB BSER B 37 3.413 42.419 -26.975 0.25 8.11 1NCI1272 ATOM 1073 OG ASER B 37 3.988 42.909 -25.867 0.79 6.06 1NCI1273 ATOM 1074 OG BSER B 37 2.188 42.959 -27.436 0.25 8.17 1NCI1274 ATOM 1075 N VAL B 38 4.459 44.097 -29.457 1.00 7.75 1NCI1275 ATOM 1076 CA VAL B 38 5.070 45.345 -29.930 1.00 8.68 1NCI1276 ATOM 1077 C VAL B 38 4.035 46.456 -29.753 1.00 9.50 1NCI1277 ATOM 1078 O VAL B 38 2.820 46.227 -29.934 1.00 7.57 1NCI1278 ATOM 1079 CB VAL B 38 5.575 45.235 -31.424 1.00 9.59 1NCI1279 ATOM 1080 CG1 VAL B 38 4.425 44.884 -32.405 1.00 9.75 1NCI1280 ATOM 1081 CG2 VAL B 38 6.276 46.505 -31.849 1.00 11.04 1NCI1281 ATOM 1082 N THR B 39 4.491 47.632 -29.326 1.00 9.16 1NCI1282 ATOM 1083 CA THR B 39 3.582 48.762 -29.142 1.00 9.92 1NCI1283 ATOM 1084 C THR B 39 4.139 50.006 -29.862 1.00 9.90 1NCI1284 ATOM 1085 O THR B 39 5.318 50.033 -30.291 1.00 8.83 1NCI1285 ATOM 1086 CB THR B 39 3.371 49.096 -27.643 1.00 10.27 1NCI1286 ATOM 1087 OG1 THR B 39 4.640 49.390 -27.057 1.00 11.63 1NCI1287 ATOM 1088 CG2 THR B 39 2.741 47.920 -26.888 1.00 12.07 1NCI1288 ATOM 1089 N GLY B 40 3.283 51.005 -30.052 1.00 9.97 1NCI1289 ATOM 1090 CA GLY B 40 3.697 52.219 -30.750 1.00 10.36 1NCI1290 ATOM 1091 C GLY B 40 2.957 52.489 -32.051 1.00 10.63 1NCI1291 ATOM 1092 O GLY B 40 2.214 51.634 -32.565 1.00 10.46 1NCI1292 ATOM 1093 N PRO B 41 3.119 53.693 -32.621 1.00 11.54 1NCI1293 ATOM 1094 CA PRO B 41 2.456 54.032 -33.881 1.00 11.60 1NCI1294 ATOM 1095 C PRO B 41 2.933 53.071 -34.962 1.00 11.71 1NCI1295 ATOM 1096 O PRO B 41 4.149 52.905 -35.167 1.00 12.25 1NCI1296 ATOM 1097 CB PRO B 41 2.964 55.448 -34.165 1.00 12.67 1NCI1297 ATOM 1098 CG PRO B 41 3.160 55.992 -32.781 1.00 11.75 1NCI1298 ATOM 1099 CD PRO B 41 3.878 54.844 -32.100 1.00 11.97 1NCI1299 ATOM 1100 N GLY B 42 1.991 52.422 -35.642 1.00 10.95 1NCI1300 ATOM 1101 CA GLY B 42 2.365 51.474 -36.675 1.00 11.33 1NCI1301 ATOM 1102 C GLY B 42 2.035 50.056 -36.209 1.00 10.31 1NCI1302 ATOM 1103 O GLY B 42 1.894 49.148 -37.025 1.00 10.92 1NCI1303 ATOM 1104 N ALA B 43 1.945 49.881 -34.898 1.00 9.81 1NCI1304 ATOM 1105 CA ALA B 43 1.625 48.596 -34.270 1.00 10.81 1NCI1305 ATOM 1106 C ALA B 43 0.202 48.664 -33.683 1.00 9.82 1NCI1306 ATOM 1107 O ALA B 43 -0.773 48.393 -34.396 1.00 10.40 1NCI1307 ATOM 1108 CB ALA B 43 2.643 48.269 -33.162 1.00 9.47 1NCI1308 ATOM 1109 N ASP B 44 0.098 49.069 -32.424 1.00 11.24 1NCI1309 ATOM 1110 CA ASP B 44 -1.181 49.191 -31.744 1.00 12.46 1NCI1310 ATOM 1111 C ASP B 44 -1.740 50.620 -31.693 1.00 13.06 1NCI1311 ATOM 1112 O ASP B 44 -2.833 50.837 -31.161 1.00 12.53 1NCI1312 ATOM 1113 CB ASP B 44 -1.113 48.587 -30.337 1.00 12.66 1NCI1313 ATOM 1114 CG ASP B 44 -0.240 49.367 -29.381 1.00 14.16 1NCI1314 ATOM 1115 OD1 ASP B 44 0.664 50.105 -29.806 1.00 13.81 1NCI1315 ATOM 1116 OD2 ASP B 44 -0.423 49.195 -28.161 1.00 16.29 1NCI1316 ATOM 1117 N GLN B 45 -0.948 51.578 -32.164 1.00 13.99 1NCI1317 ATOM 1118 CA GLN B 45 -1.337 53.013 -32.244 1.00 14.76 1NCI1318 ATOM 1119 C GLN B 45 -1.324 53.351 -33.730 1.00 13.97 1NCI1319 ATOM 1120 O GLN B 45 -0.613 52.713 -34.491 1.00 12.85 1NCI1320 ATOM 1121 CB GLN B 45 -0.327 53.898 -31.483 1.00 16.31 1NCI1321 ATOM 1122 CG GLN B 45 -0.457 53.841 -29.964 1.00 20.10 1NCI1322 ATOM 1123 CD GLN B 45 0.860 54.094 -29.242 1.00 22.91 1NCI1323 ATOM 1124 OE1 GLN B 45 1.768 54.734 -29.773 1.00 25.39 1NCI1324 ATOM 1125 NE2 GLN B 45 1.046 53.419 -28.111 1.00 24.65 1NCI1325 ATOM 1126 N PRO B 46 -2.156 54.310 -34.180 1.00 14.37 1NCI1326 ATOM 1127 CA PRO B 46 -2.242 54.720 -35.582 1.00 14.14 1NCI1327 ATOM 1128 C PRO B 46 -0.913 54.992 -36.280 1.00 14.02 1NCI1328 ATOM 1129 O PRO B 46 0.008 55.491 -35.684 1.00 14.18 1NCI1329 ATOM 1130 CB PRO B 46 -3.111 55.997 -35.506 1.00 14.63 1NCI1330 ATOM 1131 CG PRO B 46 -4.038 55.688 -34.400 1.00 14.31 1NCI1331 ATOM 1132 CD PRO B 46 -3.075 55.117 -33.351 1.00 14.84 1NCI1332 ATOM 1133 N PRO B 47 -0.746 54.504 -37.504 1.00 13.72 6 1NCI1333 ATOM 1134 CA PRO B 47 -1.644 53.694 -38.345 1.00 14.18 6 1NCI1334 ATOM 1135 C PRO B 47 -1.516 52.263 -37.789 1.00 14.77 6 1NCI1335 ATOM 1136 O PRO B 47 -0.425 51.686 -37.803 1.00 14.37 6 1NCI1336 ATOM 1137 CB PRO B 47 -1.023 53.834 -39.737 1.00 14.65 6 1NCI1337 ATOM 1138 CG PRO B 47 0.433 54.162 -39.461 1.00 15.07 6 1NCI1338 ATOM 1139 CD PRO B 47 0.342 55.088 -38.295 1.00 14.54 6 1NCI1339 ATOM 1140 N THR B 48 -2.608 51.706 -37.289 1.00 14.72 1NCI1340 ATOM 1141 CA THR B 48 -2.533 50.379 -36.678 1.00 15.29 1NCI1341 ATOM 1142 C THR B 48 -2.363 49.211 -37.631 1.00 14.56 1NCI1342 ATOM 1143 O THR B 48 -2.755 49.274 -38.806 1.00 15.08 1NCI1343 ATOM 1144 CB THR B 48 -3.758 50.085 -35.770 1.00 15.85 1NCI1344 ATOM 1145 OG1 THR B 48 -4.933 49.990 -36.585 1.00 17.22 1NCI1345 ATOM 1146 CG2 THR B 48 -3.943 51.189 -34.759 1.00 16.02 1NCI1346 ATOM 1147 N GLY B 49 -1.708 48.167 -37.108 1.00 14.31 1NCI1347 ATOM 1148 CA GLY B 49 -1.514 46.928 -37.828 1.00 12.95 1NCI1348 ATOM 1149 C GLY B 49 -0.531 46.881 -38.958 1.00 12.55 1NCI1349 ATOM 1150 O GLY B 49 -0.535 45.920 -39.705 1.00 13.23 1NCI1350 ATOM 1151 N ILE B 50 0.339 47.882 -39.080 1.00 11.66 1NCI1351 ATOM 1152 CA ILE B 50 1.318 47.882 -40.152 1.00 11.01 1NCI1352 ATOM 1153 C ILE B 50 2.442 46.908 -39.787 1.00 10.09 1NCI1353 ATOM 1154 O ILE B 50 2.936 46.199 -40.655 1.00 10.76 1NCI1354 ATOM 1155 CB ILE B 50 1.892 49.309 -40.416 1.00 11.52 1NCI1355 ATOM 1156 CG1 ILE B 50 0.810 50.174 -41.102 1.00 12.46 1NCI1356 ATOM 1157 CG2 ILE B 50 3.139 49.221 -41.287 1.00 10.17 1NCI1357 ATOM 1158 CD1 ILE B 50 1.304 51.585 -41.558 1.00 15.17 1NCI1358 ATOM 1159 N PHE B 51 2.853 46.925 -38.524 1.00 9.60 1NCI1359 ATOM 1160 CA PHE B 51 3.911 46.040 -38.005 1.00 9.24 1NCI1360 ATOM 1161 C PHE B 51 3.315 45.112 -36.980 1.00 9.15 1NCI1361 ATOM 1162 O PHE B 51 2.630 45.536 -36.032 1.00 8.90 1NCI1362 ATOM 1163 CB PHE B 51 5.041 46.851 -37.376 1.00 9.63 1NCI1363 ATOM 1164 CG PHE B 51 5.711 47.775 -38.353 1.00 8.96 1NCI1364 ATOM 1165 CD1 PHE B 51 6.566 47.272 -39.331 1.00 9.22 1NCI1365 ATOM 1166 CD2 PHE B 51 5.449 49.151 -38.326 1.00 9.22 1NCI1366 ATOM 1167 CE1 PHE B 51 7.152 48.116 -40.275 1.00 9.33 1NCI1367 ATOM 1168 CE2 PHE B 51 6.015 49.992 -39.251 1.00 7.62 1NCI1368 ATOM 1169 CZ PHE B 51 6.865 49.489 -40.224 1.00 9.56 1NCI1369 ATOM 1170 N ILE B 52 3.669 43.840 -37.089 1.00 8.85 1NCI1370 ATOM 1171 CA ILE B 52 3.118 42.848 -36.184 1.00 8.62 1NCI1371 ATOM 1172 C ILE B 52 4.260 41.975 -35.705 1.00 8.46 1NCI1372 ATOM 1173 O ILE B 52 5.312 41.922 -36.360 1.00 8.88 1NCI1373 ATOM 1174 CB ILE B 52 2.077 41.986 -36.922 1.00 8.75 1NCI1374 ATOM 1175 CG1 ILE B 52 2.700 41.388 -38.181 1.00 9.58 1NCI1375 ATOM 1176 CG2 ILE B 52 0.863 42.847 -37.339 1.00 9.96 1NCI1376 ATOM 1177 CD1 ILE B 52 1.776 40.452 -39.024 1.00 10.18 1NCI1377 ATOM 1178 N ILE B 53 4.097 41.393 -34.528 1.00 7.84 1NCI1378 ATOM 1179 CA ILE B 53 5.116 40.507 -34.003 1.00 8.16 1NCI1379 ATOM 1180 C ILE B 53 4.525 39.180 -33.554 1.00 8.09 1NCI1380 ATOM 1181 O ILE B 53 3.450 39.118 -32.951 1.00 9.57 1NCI1381 ATOM 1182 CB ILE B 53 5.916 41.151 -32.872 1.00 7.29 1NCI1382 ATOM 1183 CG1 ILE B 53 7.247 40.397 -32.679 1.00 8.04 1NCI1383 ATOM 1184 CG2 ILE B 53 5.118 41.193 -31.526 1.00 5.83 1NCI1384 ATOM 1185 CD1 ILE B 53 8.205 41.121 -31.689 1.00 8.91 1NCI1385 ATOM 1186 N ASN B 54 5.204 38.113 -33.935 1.00 8.58 1NCI1386 ATOM 1187 CA ASN B 54 4.813 36.743 -33.575 1.00 7.68 1NCI1387 ATOM 1188 C ASN B 54 5.066 36.642 -32.056 1.00 7.13 1NCI1388 ATOM 1189 O ASN B 54 6.222 36.781 -31.597 1.00 6.75 1NCI1389 ATOM 1190 CB ASN B 54 5.754 35.818 -34.367 1.00 8.73 1NCI1390 ATOM 1191 CG ASN B 54 5.449 34.360 -34.181 1.00 9.40 1NCI1391 ATOM 1192 OD1 ASN B 54 5.381 33.595 -35.168 1.00 10.00 1NCI1392 ATOM 1193 ND2 ASN B 54 5.330 33.935 -32.924 1.00 8.03 1NCI1393 ATOM 1194 N PRO B 55 4.019 36.321 -31.249 1.00 6.86 1NCI1394 ATOM 1195 CA PRO B 55 4.184 36.230 -29.810 1.00 7.18 1NCI1395 ATOM 1196 C PRO B 55 5.134 35.184 -29.250 1.00 7.83 1NCI1396 ATOM 1197 O PRO B 55 5.635 35.333 -28.136 1.00 8.12 1NCI1397 ATOM 1198 CB PRO B 55 2.756 36.112 -29.299 1.00 8.37 1NCI1398 ATOM 1199 CG PRO B 55 2.023 35.557 -30.415 1.00 8.81 1NCI1399 ATOM 1200 CD PRO B 55 2.609 36.183 -31.622 1.00 7.26 1NCI1400 ATOM 1201 N ILE B 56 5.396 34.147 -30.029 1.00 9.08 1NCI1401 ATOM 1202 CA ILE B 56 6.343 33.097 -29.615 1.00 9.32 1NCI1402 ATOM 1203 C ILE B 56 7.765 33.369 -30.102 1.00 8.95 1NCI1403 ATOM 1204 O ILE B 56 8.711 33.398 -29.308 1.00 8.83 1NCI1404 ATOM 1205 CB ILE B 56 5.923 31.727 -30.181 1.00 10.74 1NCI1405 ATOM 1206 CG1 ILE B 56 4.484 31.408 -29.777 1.00 11.02 1NCI1406 ATOM 1207 CG2 ILE B 56 6.876 30.642 -29.703 1.00 11.05 1NCI1407 ATOM 1208 CD1 ILE B 56 4.288 31.363 -28.315 1.00 11.81 1NCI1408 ATOM 1209 N SER B 57 7.927 33.571 -31.403 1.00 9.37 1NCI1409 ATOM 1210 CA SER B 57 9.276 33.756 -31.977 1.00 9.82 1NCI1410 ATOM 1211 C SER B 57 9.900 35.146 -31.937 1.00 11.22 1NCI1411 ATOM 1212 O SER B 57 11.134 35.287 -32.003 1.00 11.07 1NCI1412 ATOM 1213 CB SER B 57 9.261 33.304 -33.429 1.00 11.22 1NCI1413 ATOM 1214 OG SER B 57 8.542 34.232 -34.242 1.00 9.49 1NCI1414 ATOM 1215 N GLY B 58 9.055 36.168 -31.807 1.00 10.45 1NCI1415 ATOM 1216 CA GLY B 58 9.560 37.543 -31.834 1.00 9.94 1NCI1416 ATOM 1217 C GLY B 58 9.762 38.043 -33.264 1.00 10.19 1NCI1417 ATOM 1218 O GLY B 58 10.409 39.062 -33.467 1.00 9.39 1NCI1418 ATOM 1219 N GLN B 59 9.305 37.282 -34.243 1.00 9.62 1NCI1419 ATOM 1220 CA GLN B 59 9.397 37.643 -35.638 1.00 10.47 1NCI1420 ATOM 1221 C GLN B 59 8.565 38.883 -35.888 1.00 9.97 1NCI1421 ATOM 1222 O GLN B 59 7.331 38.782 -35.801 1.00 9.27 1NCI1422 ATOM 1223 CB AGLN B 59 9.047 36.489 -36.612 0.54 9.67 1NCI1423 ATOM 1224 CB BGLN B 59 8.595 36.588 -36.323 0.23 9.60 1NCI1424 ATOM 1225 CG AGLN B 59 10.042 35.276 -36.538 0.54 11.17 1NCI1425 ATOM 1226 CG BGLN B 59 8.969 36.544 -37.718 0.23 10.31 1NCI1426 ATOM 1227 CD AGLN B 59 9.647 34.047 -37.401 0.54 11.62 1NCI1427 ATOM 1228 CD BGLN B 59 8.985 35.143 -38.230 0.23 11.38 1NCI1428 ATOM 1229 OE1AGLN B 59 8.774 33.240 -37.015 0.54 11.22 1NCI1429 ATOM 1230 OE1BGLN B 59 8.956 34.348 -37.324 0.23 12.60 1NCI1430 ATOM 1231 NE2AGLN B 59 10.330 33.873 -38.540 0.54 12.10 1NCI1431 ATOM 1232 NE2BGLN B 59 9.359 34.852 -39.492 0.23 11.91 1NCI1432 ATOM 1233 N LEU B 60 9.197 39.968 -36.318 1.00 9.57 1NCI1433 ATOM 1234 CA LEU B 60 8.526 41.229 -36.637 1.00 10.77 1NCI1434 ATOM 1235 C LEU B 60 8.353 41.254 -38.156 1.00 10.39 1NCI1435 ATOM 1236 O LEU B 60 9.307 40.973 -38.924 1.00 10.98 1NCI1436 ATOM 1237 CB LEU B 60 9.397 42.389 -36.160 1.00 10.54 1NCI1437 ATOM 1238 CG LEU B 60 8.905 43.826 -36.327 1.00 11.69 1NCI1438 ATOM 1239 CD1 LEU B 60 7.834 44.136 -35.317 1.00 13.04 1NCI1439 ATOM 1240 CD2 LEU B 60 10.120 44.714 -36.062 1.00 13.48 1NCI1440 ATOM 1241 N SER B 61 7.130 41.568 -38.593 1.00 10.09 1NCI1441 ATOM 1242 CA SER B 61 6.775 41.594 -40.016 1.00 10.28 1NCI1442 ATOM 1243 C SER B 61 6.006 42.870 -40.362 1.00 10.12 1NCI1443 ATOM 1244 O SER B 61 5.445 43.490 -39.476 1.00 9.61 1NCI1444 ATOM 1245 CB SER B 61 5.819 40.436 -40.347 1.00 12.73 1NCI1445 ATOM 1246 OG SER B 61 6.359 39.172 -39.996 1.00 14.14 1NCI1446 ATOM 1247 N VAL B 62 5.915 43.162 -41.652 1.00 10.77 1NCI1447 ATOM 1248 CA VAL B 62 5.170 44.311 -42.170 1.00 11.20 1NCI1448 ATOM 1249 C VAL B 62 4.024 43.734 -43.021 1.00 11.80 1NCI1449 ATOM 1250 O VAL B 62 4.191 42.747 -43.740 1.00 11.74 1NCI1450 ATOM 1251 CB VAL B 62 6.075 45.356 -42.905 1.00 11.23 1NCI1451 ATOM 1252 CG1 VAL B 62 6.796 44.759 -44.144 1.00 12.33 1NCI1452 ATOM 1253 CG2 VAL B 62 5.233 46.633 -43.279 1.00 11.37 1NCI1453 ATOM 1254 N THR B 63 2.844 44.326 -42.904 1.00 11.86 1NCI1454 ATOM 1255 CA THR B 63 1.672 43.788 -43.590 1.00 12.65 1NCI1455 ATOM 1256 C THR B 63 1.270 44.295 -44.976 1.00 13.57 1NCI1456 ATOM 1257 O THR B 63 0.445 43.661 -45.642 1.00 13.82 1NCI1457 ATOM 1258 CB THR B 63 0.468 43.892 -42.662 1.00 12.05 1NCI1458 ATOM 1259 OG1 THR B 63 0.231 45.271 -42.369 1.00 13.84 1NCI1459 ATOM 1260 CG2 THR B 63 0.762 43.162 -41.335 1.00 10.97 1NCI1460 ATOM 1261 N LYS B 64 1.858 45.405 -45.420 1.00 14.43 1NCI1461 ATOM 1262 CA LYS B 64 1.537 45.982 -46.723 1.00 15.51 1NCI1462 ATOM 1263 C LYS B 64 2.656 46.923 -47.203 1.00 15.32 1NCI1463 ATOM 1264 O LYS B 64 3.537 47.296 -46.412 1.00 15.32 1NCI1464 ATOM 1265 CB LYS B 64 0.194 46.731 -46.642 1.00 16.74 1NCI1465 ATOM 1266 CG LYS B 64 0.149 47.910 -45.667 1.00 18.96 1NCI1466 ATOM 1267 CD LYS B 64 -1.186 48.628 -45.823 1.00 21.44 1NCI1467 ATOM 1268 CE LYS B 64 -1.379 49.723 -44.800 1.00 22.20 1NCI1468 ATOM 1269 NZ LYS B 64 -2.664 50.499 -45.047 1.00 24.14 1NCI1469 ATOM 1270 N PRO B 65 2.641 47.314 -48.494 1.00 15.90 1NCI1470 ATOM 1271 CA PRO B 65 3.676 48.217 -49.028 1.00 15.73 1NCI1471 ATOM 1272 C PRO B 65 3.505 49.545 -48.294 1.00 15.84 1NCI1472 ATOM 1273 O PRO B 65 2.371 49.947 -47.991 1.00 15.26 1NCI1473 ATOM 1274 CB PRO B 65 3.300 48.370 -50.508 1.00 15.34 1NCI1474 ATOM 1275 CG PRO B 65 2.258 47.291 -50.758 1.00 16.52 1NCI1475 ATOM 1276 CD PRO B 65 1.557 47.130 -49.475 1.00 15.40 1NCI1476 ATOM 1277 N LEU B 66 4.621 50.225 -48.037 1.00 15.91 1NCI1477 ATOM 1278 CA LEU B 66 4.611 51.478 -47.291 1.00 16.30 1NCI1478 ATOM 1279 C LEU B 66 5.186 52.613 -48.117 1.00 16.29 1NCI1479 ATOM 1280 O LEU B 66 6.235 52.457 -48.736 1.00 16.51 1NCI1480 ATOM 1281 CB LEU B 66 5.478 51.329 -46.025 1.00 16.48 1NCI1481 ATOM 1282 CG LEU B 66 4.848 51.053 -44.664 1.00 17.95 1NCI1482 ATOM 1283 CD1 LEU B 66 3.544 50.300 -44.766 1.00 17.74 1NCI1483 ATOM 1284 CD2 LEU B 66 5.834 50.353 -43.748 1.00 17.94 1NCI1484 ATOM 1285 N ASP B 67 4.517 53.758 -48.089 1.00 16.64 1NCI1485 ATOM 1286 CA ASP B 67 4.990 54.930 -48.803 1.00 17.38 1NCI1486 ATOM 1287 C ASP B 67 5.592 55.883 -47.770 1.00 18.52 1NCI1487 ATOM 1288 O ASP B 67 5.111 55.948 -46.651 1.00 18.86 1NCI1488 ATOM 1289 CB ASP B 67 3.835 55.607 -49.541 1.00 17.17 1NCI1489 ATOM 1290 CG ASP B 67 4.319 56.699 -50.422 1.00 17.14 1NCI1490 ATOM 1291 OD1 ASP B 67 4.970 56.368 -51.405 1.00 14.56 1NCI1491 ATOM 1292 OD2 ASP B 67 4.056 57.872 -50.122 1.00 19.43 1NCI1492 ATOM 1293 N ARG B 68 6.642 56.604 -48.141 1.00 20.04 1NCI1493 ATOM 1294 CA ARG B 68 7.348 57.531 -47.244 1.00 21.82 1NCI1494 ATOM 1295 C ARG B 68 6.624 58.817 -46.863 1.00 23.05 1NCI1495 ATOM 1296 O ARG B 68 6.952 59.421 -45.857 1.00 23.52 1NCI1496 ATOM 1297 CB ARG B 68 8.683 57.958 -47.841 1.00 21.64 1NCI1497 ATOM 1298 CG ARG B 68 9.575 56.853 -48.310 1.00 24.02 1NCI1498 ATOM 1299 CD ARG B 68 10.928 57.412 -48.717 1.00 24.77 1NCI1499 ATOM 1300 NE ARG B 68 11.681 57.450 -47.495 1.00 27.77 1NCI1500 ATOM 1301 CZ ARG B 68 12.490 58.413 -47.095 1.00 27.77 1NCI1501 ATOM 1302 NH1 ARG B 68 12.744 59.477 -47.868 1.00 27.75 1NCI1502 ATOM 1303 NH2 ARG B 68 12.905 58.362 -45.848 1.00 29.22 1NCI1503 ATOM 1304 N GLU B 69 5.642 59.216 -47.663 1.00 24.41 1NCI1504 ATOM 1305 CA GLU B 69 4.890 60.447 -47.443 1.00 25.60 1NCI1505 ATOM 1306 C GLU B 69 4.359 60.765 -46.044 1.00 25.37 1NCI1506 ATOM 1307 O GLU B 69 4.589 61.862 -45.519 1.00 26.05 1NCI1507 ATOM 1308 CB GLU B 69 3.714 60.490 -48.403 1.00 27.82 1NCI1508 ATOM 1309 CG GLU B 69 3.770 61.589 -49.392 1.00 30.99 1NCI1509 ATOM 1310 N LEU B 70 3.576 59.867 -45.468 1.00 24.68 1NCI1510 ATOM 1311 CA LEU B 70 3.001 60.166 -44.164 1.00 24.28 1NCI1511 ATOM 1312 C LEU B 70 3.963 59.937 -43.022 1.00 23.23 1NCI1512 ATOM 1313 O LEU B 70 4.099 60.784 -42.154 1.00 23.41 1NCI1513 ATOM 1314 CB LEU B 70 1.689 59.402 -43.955 1.00 26.05 1NCI1514 ATOM 1315 CG LEU B 70 0.502 60.142 -43.315 1.00 26.58 1NCI1515 ATOM 1316 CD1 LEU B 70 0.113 61.396 -44.149 1.00 26.79 1NCI1516 ATOM 1317 CD2 LEU B 70 -0.685 59.173 -43.208 1.00 27.26 1NCI1517 ATOM 1318 N ILE B 71 4.624 58.788 -43.019 1.00 21.93 1NCI1518 ATOM 1319 CA ILE B 71 5.580 58.446 -41.972 1.00 20.45 1NCI1519 ATOM 1320 C ILE B 71 6.709 57.629 -42.620 1.00 19.49 1NCI1520 ATOM 1321 O ILE B 71 6.464 56.571 -43.202 1.00 18.27 1NCI1521 ATOM 1322 CB ILE B 71 4.934 57.601 -40.830 1.00 20.31 1NCI1522 ATOM 1323 CG1 ILE B 71 3.776 58.366 -40.175 1.00 20.68 1NCI1523 ATOM 1324 CG2 ILE B 71 5.963 57.317 -39.721 1.00 19.30 1NCI1524 ATOM 1325 CD1 ILE B 71 2.871 57.476 -39.325 1.00 21.06 1NCI1525 ATOM 1326 N ALA B 72 7.926 58.152 -42.512 1.00 18.65 1NCI1526 ATOM 1327 CA ALA B 72 9.131 57.540 -43.075 1.00 18.04 1NCI1527 ATOM 1328 C ALA B 72 9.985 56.785 -42.047 1.00 17.15 1NCI1528 ATOM 1329 O ALA B 72 10.915 56.063 -42.425 1.00 16.72 1NCI1529 ATOM 1330 CB ALA B 72 9.988 58.630 -43.735 1.00 17.53 1NCI1530 ATOM 1331 N ARG B 73 9.718 57.003 -40.765 1.00 17.30 1NCI1531 ATOM 1332 CA ARG B 73 10.469 56.362 -39.692 1.00 18.00 1NCI1532 ATOM 1333 C ARG B 73 9.541 55.999 -38.527 1.00 17.19 1NCI1533 ATOM 1334 O ARG B 73 8.817 56.861 -38.005 1.00 16.77 1NCI1534 ATOM 1335 CB ARG B 73 11.560 57.320 -39.211 1.00 19.79 1NCI1535 ATOM 1336 CG ARG B 73 12.546 56.746 -38.209 1.00 23.57 1NCI1536 ATOM 1337 CD ARG B 73 13.674 57.770 -37.942 1.00 26.79 1NCI1537 ATOM 1338 NE ARG B 73 14.967 57.104 -37.848 1.00 30.75 1NCI1538 ATOM 1339 CZ ARG B 73 16.098 57.556 -38.382 1.00 32.56 1NCI1539 ATOM 1340 NH1 ARG B 73 16.118 58.699 -39.069 1.00 34.05 1NCI1540 ATOM 1341 NH2 ARG B 73 17.226 56.867 -38.193 1.00 34.54 1NCI1541 ATOM 1342 N PHE B 74 9.552 54.735 -38.108 1.00 15.35 1NCI1542 ATOM 1343 CA PHE B 74 8.682 54.322 -37.020 1.00 14.00 1NCI1543 ATOM 1344 C PHE B 74 9.497 53.963 -35.783 1.00 13.85 1NCI1544 ATOM 1345 O PHE B 74 10.627 53.463 -35.898 1.00 15.27 1NCI1545 ATOM 1346 CB PHE B 74 7.803 53.125 -37.426 1.00 13.02 1NCI1546 ATOM 1347 CG PHE B 74 6.900 53.380 -38.624 1.00 11.41 1NCI1547 ATOM 1348 CD1 PHE B 74 7.403 53.355 -39.910 1.00 9.71 1NCI1548 ATOM 1349 CD2 PHE B 74 5.546 53.583 -38.447 1.00 10.77 1NCI1549 ATOM 1350 CE1 PHE B 74 6.579 53.515 -41.001 1.00 10.56 1NCI1550 ATOM 1351 CE2 PHE B 74 4.690 53.748 -39.552 1.00 11.42 1NCI1551 ATOM 1352 CZ PHE B 74 5.217 53.715 -40.831 1.00 10.37 1NCI1552 ATOM 1353 N HIS B 75 8.932 54.252 -34.612 1.00 13.00 1NCI1553 ATOM 1354 CA HIS B 75 9.548 53.964 -33.328 1.00 13.65 1NCI1554 ATOM 1355 C HIS B 75 8.636 53.055 -32.527 1.00 13.17 1NCI1555 ATOM 1356 O HIS B 75 7.548 53.484 -32.072 1.00 12.64 1NCI1556 ATOM 1357 CB HIS B 75 9.813 55.263 -32.558 1.00 16.13 1NCI1557 ATOM 1358 CG HIS B 75 10.854 56.133 -33.190 1.00 18.28 1NCI1558 ATOM 1359 ND1 HIS B 75 10.566 57.033 -34.197 1.00 21.35 1NCI1559 ATOM 1360 CD2 HIS B 75 12.190 56.238 -32.972 1.00 20.05 1NCI1560 ATOM 1361 CE1 HIS B 75 11.670 57.653 -34.570 1.00 20.08 1NCI1561 ATOM 1362 NE2 HIS B 75 12.669 57.187 -33.838 1.00 21.23 1NCI1562 ATOM 1363 N LEU B 76 9.066 51.799 -32.335 1.00 12.38 1NCI1563 ATOM 1364 CA LEU B 76 8.257 50.833 -31.592 1.00 12.09 1NCI1564 ATOM 1365 C LEU B 76 8.992 50.340 -30.375 1.00 12.38 1NCI1565 ATOM 1366 O LEU B 76 10.183 50.623 -30.183 1.00 12.74 1NCI1566 ATOM 1367 CB LEU B 76 7.911 49.637 -32.483 1.00 13.04 1NCI1567 ATOM 1368 CG LEU B 76 7.393 49.928 -33.911 1.00 13.01 1NCI1568 ATOM 1369 CD1 LEU B 76 7.156 48.619 -34.682 1.00 13.79 1NCI1569 ATOM 1370 CD2 LEU B 76 6.079 50.695 -33.828 1.00 12.73 1NCI1570 ATOM 1371 N ARG B 77 8.286 49.622 -29.521 1.00 11.42 1NCI1571 ATOM 1372 CA ARG B 77 8.921 49.045 -28.351 1.00 12.17 1NCI1572 ATOM 1373 C ARG B 77 8.514 47.579 -28.312 1.00 11.66 1NCI1573 ATOM 1374 O ARG B 77 7.319 47.283 -28.465 1.00 10.48 1NCI1574 ATOM 1375 CB ARG B 77 8.443 49.701 -27.059 1.00 14.07 1NCI1575 ATOM 1376 CG ARG B 77 8.987 51.086 -26.771 1.00 18.67 1NCI1576 ATOM 1377 CD ARG B 77 8.511 51.526 -25.381 1.00 22.26 1NCI1577 ATOM 1378 NE ARG B 77 7.048 51.429 -25.301 1.00 26.15 1NCI1578 ATOM 1379 CZ ARG B 77 6.348 51.141 -24.197 1.00 27.33 1NCI1579 ATOM 1380 NH1 ARG B 77 6.969 50.924 -23.039 1.00 29.93 1NCI1580 ATOM 1381 NH2 ARG B 77 5.025 51.026 -24.256 1.00 27.78 1NCI1581 ATOM 1382 N ALA B 78 9.488 46.677 -28.170 1.00 10.85 1NCI1582 ATOM 1383 CA ALA B 78 9.167 45.248 -28.050 1.00 10.09 1NCI1583 ATOM 1384 C ALA B 78 9.103 44.939 -26.552 1.00 10.36 1NCI1584 ATOM 1385 O ALA B 78 9.875 45.496 -25.746 1.00 10.38 1NCI1585 ATOM 1386 CB ALA B 78 10.251 44.368 -28.749 1.00 11.11 1NCI1586 ATOM 1387 N HIS B 79 8.161 44.081 -26.159 1.00 9.85 1NCI1587 ATOM 1388 CA HIS B 79 7.979 43.726 -24.749 1.00 9.98 1NCI1588 ATOM 1389 C HIS B 79 8.055 42.225 -24.590 1.00 9.65 1NCI1589 ATOM 1390 O HIS B 79 7.612 41.483 -25.477 1.00 9.45 1NCI1590 ATOM 1391 CB HIS B 79 6.596 44.147 -24.231 1.00 9.78 1NCI1591 ATOM 1392 CG HIS B 79 6.333 45.620 -24.307 1.00 10.20 1NCI1592 ATOM 1393 ND1 HIS B 79 5.994 46.253 -25.485 1.00 11.46 1NCI1593 ATOM 1394 CD2 HIS B 79 6.379 46.576 -23.359 1.00 8.88 1NCI1594 ATOM 1395 CE1 HIS B 79 5.845 47.549 -25.252 1.00 8.89 1NCI1595 ATOM 1396 NE2 HIS B 79 6.067 47.770 -23.975 1.00 9.74 1NCI1596 ATOM 1397 N ALA B 80 8.554 41.800 -23.435 1.00 10.45 1NCI1597 ATOM 1398 CA ALA B 80 8.674 40.366 -23.103 1.00 10.52 1NCI1598 ATOM 1399 C ALA B 80 8.080 40.079 -21.739 1.00 10.83 1NCI1599 ATOM 1400 O ALA B 80 8.450 40.712 -20.739 1.00 10.79 1NCI1600 ATOM 1401 CB ALA B 80 10.147 39.945 -23.121 1.00 10.68 1NCI1601 ATOM 1402 N VAL B 81 7.122 39.148 -21.677 1.00 11.18 1NCI1602 ATOM 1403 CA VAL B 81 6.505 38.802 -20.398 1.00 11.48 1NCI1603 ATOM 1404 C VAL B 81 6.577 37.287 -20.188 1.00 12.23 1NCI1604 ATOM 1405 O VAL B 81 6.799 36.552 -21.142 1.00 11.59 1NCI1605 ATOM 1406 CB VAL B 81 4.991 39.193 -20.350 1.00 10.85 1NCI1606 ATOM 1407 CG1 VAL B 81 4.814 40.724 -20.492 1.00 10.92 1NCI1607 ATOM 1408 CG2 VAL B 81 4.176 38.447 -21.430 1.00 9.82 1NCI1608 ATOM 1409 N ASP B 82 6.426 36.841 -18.946 1.00 13.78 1NCI1609 ATOM 1410 CA ASP B 82 6.429 35.406 -18.653 1.00 15.87 1NCI1610 ATOM 1411 C ASP B 82 5.012 34.880 -18.934 1.00 17.04 1NCI1611 ATOM 1412 O ASP B 82 4.115 35.678 -19.269 1.00 17.07 1NCI1612 ATOM 1413 CB ASP B 82 6.940 35.101 -17.228 1.00 16.19 1NCI1613 ATOM 1414 CG ASP B 82 6.094 35.708 -16.119 1.00 17.30 1NCI1614 ATOM 1415 OD1 ASP B 82 4.892 36.013 -16.306 1.00 17.33 1NCI1615 ATOM 1416 OD2 ASP B 82 6.633 35.843 -14.998 1.00 18.07 1NCI1616 ATOM 1417 N ILE B 83 4.786 33.563 -18.853 1.00 17.86 1NCI1617 ATOM 1418 CA ILE B 83 3.447 33.053 -19.172 1.00 18.52 1NCI1618 ATOM 1419 C ILE B 83 2.367 33.533 -18.234 1.00 18.25 1NCI1619 ATOM 1420 O ILE B 83 1.204 33.215 -18.458 1.00 18.99 1NCI1620 ATOM 1421 CB ILE B 83 3.347 31.487 -19.319 1.00 19.07 1NCI1621 ATOM 1422 CG1 ILE B 83 4.115 30.822 -18.195 1.00 20.30 1NCI1622 ATOM 1423 CG2 ILE B 83 3.740 31.028 -20.731 1.00 20.02 1NCI1623 ATOM 1424 CD1 ILE B 83 3.473 30.967 -16.862 1.00 21.18 1NCI1624 ATOM 1425 N ASN B 84 2.742 34.242 -17.168 1.00 18.39 1NCI1625 ATOM 1426 CA ASN B 84 1.753 34.811 -16.232 1.00 18.87 1NCI1626 ATOM 1427 C ASN B 84 1.468 36.287 -16.576 1.00 18.67 1NCI1627 ATOM 1428 O ASN B 84 0.603 36.940 -15.974 1.00 18.32 1NCI1628 ATOM 1429 CB ASN B 84 2.205 34.679 -14.770 1.00 19.14 1NCI1629 ATOM 1430 CG ASN B 84 2.094 33.249 -14.253 1.00 21.84 1NCI1630 ATOM 1431 OD1 ASN B 84 1.149 32.526 -14.591 1.00 21.28 1NCI1631 ATOM 1432 ND2 ASN B 84 3.084 32.817 -13.486 1.00 22.31 1NCI1632 ATOM 1433 N GLY B 85 2.190 36.807 -17.562 1.00 18.61 1NCI1633 ATOM 1434 CA GLY B 85 1.971 38.175 -17.972 1.00 17.75 1NCI1634 ATOM 1435 C GLY B 85 2.860 39.191 -17.296 1.00 18.21 1NCI1635 ATOM 1436 O GLY B 85 2.731 40.395 -17.575 1.00 17.36 1NCI1636 ATOM 1437 N ASN B 86 3.740 38.740 -16.405 1.00 18.43 1NCI1637 ATOM 1438 CA ASN B 86 4.659 39.654 -15.705 1.00 19.10 1NCI1638 ATOM 1439 C ASN B 86 5.821 40.028 -16.624 1.00 19.81 1NCI1639 ATOM 1440 O ASN B 86 6.401 39.169 -17.285 1.00 19.20 1NCI1640 ATOM 1441 CB ASN B 86 5.254 38.998 -14.451 1.00 19.01 1NCI1641 ATOM 1442 CG ASN B 86 4.247 38.846 -13.332 1.00 18.88 1NCI1642 ATOM 1443 OD1 ASN B 86 3.719 39.833 -12.816 1.00 18.45 1NCI1643 ATOM 1444 ND2 ASN B 86 3.958 37.610 -12.972 1.00 17.36 1NCI1644 ATOM 1445 N GLN B 87 6.162 41.308 -16.670 1.00 21.17 1NCI1645 ATOM 1446 CA GLN B 87 7.289 41.722 -17.495 1.00 22.36 1NCI1646 ATOM 1447 C GLN B 87 8.575 41.099 -16.927 1.00 23.05 1NCI1647 ATOM 1448 O GLN B 87 8.817 41.136 -15.715 1.00 23.44 1NCI1648 ATOM 1449 CB GLN B 87 7.416 43.233 -17.522 1.00 23.55 1NCI1649 ATOM 1450 CG GLN B 87 8.019 43.696 -18.825 1.00 25.70 1NCI1650 ATOM 1451 CD GLN B 87 7.578 45.095 -19.206 1.00 27.52 1NCI1651 ATOM 1452 OE1 GLN B 87 7.808 46.029 -18.444 1.00 28.00 1NCI1652 ATOM 1453 NE2 GLN B 87 6.974 45.256 -20.401 1.00 26.29 1NCI1653 ATOM 1454 N VAL B 88 9.379 40.493 -17.789 1.00 22.98 1NCI1654 ATOM 1455 CA VAL B 88 10.598 39.846 -17.321 1.00 23.22 1NCI1655 ATOM 1456 C VAL B 88 11.845 40.661 -17.600 1.00 23.58 1NCI1656 ATOM 1457 O VAL B 88 12.932 40.298 -17.162 1.00 23.86 1NCI1657 ATOM 1458 CB VAL B 88 10.753 38.452 -17.926 1.00 22.53 1NCI1658 ATOM 1459 CG1 VAL B 88 9.587 37.590 -17.506 1.00 23.54 1NCI1659 ATOM 1460 CG2 VAL B 88 10.842 38.524 -19.428 1.00 22.36 1NCI1660 ATOM 1461 N GLU B 89 11.698 41.704 -18.405 1.00 23.22 1NCI1661 ATOM 1462 CA GLU B 89 12.809 42.584 -18.721 1.00 23.06 1NCI1662 ATOM 1463 C GLU B 89 12.330 43.895 -19.298 1.00 21.52 1NCI1663 ATOM 1464 O GLU B 89 11.225 43.981 -19.827 1.00 21.45 1NCI1664 ATOM 1465 CB GLU B 89 13.755 41.925 -19.694 1.00 25.61 1NCI1665 ATOM 1466 CG GLU B 89 13.162 41.597 -21.012 1.00 29.26 1NCI1666 ATOM 1467 CD GLU B 89 13.892 40.457 -21.645 1.00 31.67 1NCI1667 ATOM 1468 OE1 GLU B 89 15.139 40.474 -21.624 1.00 33.46 1NCI1668 ATOM 1469 OE2 GLU B 89 13.223 39.522 -22.130 1.00 34.26 1NCI1669 ATOM 1470 N ASN B 90 13.153 44.926 -19.164 1.00 19.36 1NCI1670 ATOM 1471 CA ASN B 90 12.798 46.238 -19.677 1.00 18.66 1NCI1671 ATOM 1472 C ASN B 90 12.497 46.147 -21.159 1.00 17.85 1NCI1672 ATOM 1473 O ASN B 90 13.179 45.407 -21.895 1.00 17.07 1NCI1673 ATOM 1474 CB ASN B 90 13.945 47.238 -19.450 1.00 18.48 1NCI1674 ATOM 1475 CG ASN B 90 14.196 47.517 -17.981 1.00 19.88 1NCI1675 ATOM 1476 OD1 ASN B 90 13.259 47.602 -17.183 1.00 21.35 1NCI1676 ATOM 1477 ND2 ASN B 90 15.469 47.676 -17.615 1.00 20.57 1NCI1677 ATOM 1478 N PRO B 91 11.510 46.929 -21.633 1.00 18.12 1NCI1678 ATOM 1479 CA PRO B 91 11.120 46.941 -23.052 1.00 17.92 1NCI1679 ATOM 1480 C PRO B 91 12.287 47.491 -23.859 1.00 17.01 1NCI1680 ATOM 1481 O PRO B 91 13.131 48.213 -23.319 1.00 17.19 1NCI1681 ATOM 1482 CB PRO B 91 9.930 47.926 -23.084 1.00 18.12 1NCI1682 ATOM 1483 CG PRO B 91 9.501 48.031 -21.640 1.00 19.79 1NCI1683 ATOM 1484 CD PRO B 91 10.805 48.004 -20.912 1.00 18.75 1NCI1684 ATOM 1485 N ILE B 92 12.355 47.140 -25.132 1.00 16.15 1NCI1685 ATOM 1486 CA ILE B 92 13.452 47.594 -25.976 1.00 15.71 1NCI1686 ATOM 1487 C ILE B 92 12.952 48.347 -27.212 1.00 15.07 1NCI1687 ATOM 1488 O ILE B 92 11.986 47.949 -27.874 1.00 13.42 1NCI1688 ATOM 1489 CB ILE B 92 14.384 46.414 -26.387 1.00 15.37 1NCI1689 ATOM 1490 CG1 ILE B 92 15.612 46.946 -27.123 1.00 17.26 1NCI1690 ATOM 1491 CG2 ILE B 92 13.646 45.414 -27.274 1.00 15.66 1NCI1691 ATOM 1492 CD1 ILE B 92 16.875 46.219 -26.757 1.00 17.68 1NCI1692 ATOM 1493 N ASP B 93 13.560 49.502 -27.448 1.00 14.37 1NCI1693 ATOM 1494 CA ASP B 93 13.230 50.336 -28.593 1.00 15.76 1NCI1694 ATOM 1495 C ASP B 93 13.643 49.689 -29.905 1.00 15.09 1NCI1695 ATOM 1496 O ASP B 93 14.747 49.140 -30.016 1.00 16.40 1NCI1696 ATOM 1497 CB ASP B 93 13.935 51.701 -28.474 1.00 18.21 1NCI1697 ATOM 1498 CG ASP B 93 13.418 52.554 -27.322 1.00 20.80 1NCI1698 ATOM 1499 OD1 ASP B 93 12.257 52.431 -26.886 1.00 21.49 1NCI1699 ATOM 1500 OD2 ASP B 93 14.191 53.417 -26.848 1.00 23.93 1NCI1700 ATOM 1501 N ILE B 94 12.807 49.854 -30.930 1.00 14.79 1NCI1701 ATOM 1502 CA ILE B 94 13.020 49.307 -32.259 1.00 14.43 1NCI1702 ATOM 1503 C ILE B 94 12.772 50.493 -33.225 1.00 14.57 1NCI1703 ATOM 1504 O ILE B 94 11.780 51.227 -33.079 1.00 14.59 1NCI1704 ATOM 1505 CB AILE B 94 11.986 48.183 -32.581 0.70 14.58 1NCI1705 ATOM 1506 CB BILE B 94 12.000 48.172 -32.575 0.30 14.58 1NCI1706 ATOM 1507 CG1AILE B 94 12.188 46.969 -31.661 0.70 15.95 1NCI1707 ATOM 1508 CG1BILE B 94 12.291 46.932 -31.719 0.30 15.95 1NCI1708 ATOM 1509 CG2AILE B 94 12.057 47.796 -34.066 0.70 15.07 1NCI1709 ATOM 1510 CG2BILE B 94 12.006 47.840 -34.070 0.30 15.07 1NCI1710 ATOM 1511 CD1AILE B 94 11.161 45.878 -31.898 0.70 18.13 1NCI1711 ATOM 1512 CD1BILE B 94 13.661 46.347 -31.943 0.30 18.13 1NCI1712 ATOM 1513 N VAL B 95 13.649 50.675 -34.209 1.00 13.92 1NCI1713 ATOM 1514 CA VAL B 95 13.481 51.755 -35.175 1.00 14.58 1NCI1714 ATOM 1515 C VAL B 95 13.378 51.192 -36.586 1.00 14.68 1NCI1715 ATOM 1516 O VAL B 95 14.172 50.332 -36.962 1.00 15.35 1NCI1716 ATOM 1517 CB VAL B 95 14.677 52.765 -35.127 1.00 15.57 1NCI1717 ATOM 1518 CG1 VAL B 95 14.557 53.763 -36.280 1.00 15.02 1NCI1718 ATOM 1519 CG2 VAL B 95 14.702 53.485 -33.799 1.00 15.44 1NCI1719 ATOM 1520 N ILE B 96 12.383 51.628 -37.362 1.00 14.05 1NCI1720 ATOM 1521 CA ILE B 96 12.250 51.139 -38.733 1.00 13.63 1NCI1721 ATOM 1522 C ILE B 96 12.245 52.327 -39.674 1.00 13.99 1NCI1722 ATOM 1523 O ILE B 96 11.384 53.198 -39.551 1.00 14.29 1NCI1723 ATOM 1524 CB ILE B 96 10.920 50.363 -38.952 1.00 13.50 1NCI1724 ATOM 1525 CG1 ILE B 96 10.860 49.155 -38.002 1.00 15.04 1NCI1725 ATOM 1526 CG2 ILE B 96 10.773 49.971 -40.436 1.00 12.10 1NCI1726 ATOM 1527 CD1 ILE B 96 9.538 49.010 -37.266 1.00 14.51 1NCI1727 ATOM 1528 N ASN B 97 13.189 52.358 -40.604 1.00 14.27 1NCI1728 ATOM 1529 CA ASN B 97 13.307 53.424 -41.603 1.00 14.99 1NCI1729 ATOM 1530 C ASN B 97 12.738 52.904 -42.914 1.00 15.23 1NCI1730 ATOM 1531 O ASN B 97 13.084 51.796 -43.327 1.00 16.43 1NCI1731 ATOM 1532 CB ASN B 97 14.795 53.774 -41.866 1.00 15.86 1NCI1732 ATOM 1533 CG ASN B 97 15.528 54.236 -40.627 1.00 17.24 1NCI1733 ATOM 1534 OD1 ASN B 97 15.006 55.028 -39.831 1.00 19.83 1NCI1734 ATOM 1535 ND2 ASN B 97 16.766 53.774 -40.466 1.00 18.46 1NCI1735 ATOM 1536 N VAL B 98 11.884 53.685 -43.586 1.00 15.48 1NCI1736 ATOM 1537 CA VAL B 98 11.326 53.290 -44.889 1.00 16.02 1NCI1737 ATOM 1538 C VAL B 98 12.268 53.982 -45.887 1.00 16.62 1NCI1738 ATOM 1539 O VAL B 98 12.291 55.208 -45.960 1.00 16.09 1NCI1739 ATOM 1540 CB VAL B 98 9.866 53.807 -45.075 1.00 15.51 1NCI1740 ATOM 1541 CG1 VAL B 98 9.333 53.375 -46.410 1.00 16.23 1NCI1741 ATOM 1542 CG2 VAL B 98 8.982 53.261 -43.973 1.00 15.15 1NCI1742 ATOM 1543 N ILE B 99 13.072 53.204 -46.601 1.00 16.62 1NCI1743 ATOM 1544 CA ILE B 99 14.079 53.740 -47.513 1.00 17.90 1NCI1744 ATOM 1545 C ILE B 99 13.690 53.738 -48.986 1.00 18.30 1NCI1745 ATOM 1546 O ILE B 99 13.123 52.764 -49.501 1.00 17.43 1NCI1746 ATOM 1547 CB ILE B 99 15.409 52.916 -47.369 1.00 18.22 1NCI1747 ATOM 1548 CG1 ILE B 99 15.913 52.948 -45.923 1.00 19.33 1NCI1748 ATOM 1549 CG2 ILE B 99 16.484 53.411 -48.345 1.00 19.23 1NCI1749 ATOM 1550 CD1 ILE B 99 16.041 54.347 -45.330 1.00 19.51 1NCI1750 ATOM 1551 N ASP B 100 14.039 54.820 -49.673 1.00 19.58 1NCI1751 ATOM 1552 CA ASP B 100 13.782 54.929 -51.101 1.00 21.70 1NCI1752 ATOM 1553 C ASP B 100 15.112 55.085 -51.826 1.00 22.38 1NCI1753 ATOM 1554 O ASP B 100 15.690 54.098 -52.239 1.00 23.32 1NCI1754 ATOM 1555 CB ASP B 100 12.920 56.129 -51.432 1.00 22.42 1NCI1755 ATOM 1556 CG ASP B 100 12.719 56.310 -52.933 1.00 23.16 1NCI1756 ATOM 1557 OD1 ASP B 100 12.929 55.367 -53.728 1.00 23.78 1NCI1757 ATOM 1558 OD2 ASP B 100 12.345 57.411 -53.335 1.00 23.75 1NCI1758 TER 1559 ASP B 100 1NCI1759 HETATM 1560 U IUM 300 30.768 29.208 -52.849 1.00 22.07 1NCI1760 HETATM 1561 O1 IUM 300 30.895 30.235 -54.251 1.00 13.49 1NCI1761 HETATM 1562 O2 IUM 300 30.642 28.185 -51.448 1.00 14.57 1NCI1762 HETATM 1563 O HOH 1 30.383 43.315 -22.181 1.00 15.06 1NCI1763 HETATM 1564 O HOH 2 39.219 43.899 -19.430 1.00 8.20 1NCI1764 HETATM 1565 O HOH 3 9.506 43.916 -21.868 1.00 18.45 1NCI1765 HETATM 1566 O HOH 4 23.467 49.067 -31.804 0.98 16.68 1NCI1766 HETATM 1567 O HOH 5 17.238 49.569 -29.043 0.94 12.73 1NCI1767 HETATM 1568 O HOH 6 2.217 39.608 -30.246 1.00 13.73 1NCI1768 HETATM 1569 O HOH 7 4.574 40.745 -24.342 1.00 14.19 1NCI1769 HETATM 1570 O HOH 8 15.914 49.022 -33.971 1.00 13.24 1NCI1770 HETATM 1571 O HOH 9 42.732 47.989 -14.879 1.00 15.01 1NCI1771 HETATM 1572 O HOH 10 20.412 43.124 -24.629 1.00 20.04 1NCI1772 HETATM 1573 O HOH 11 8.725 32.400 -26.716 1.00 17.22 1NCI1773 HETATM 1574 O HOH 12 31.553 33.746 -30.011 1.00 24.76 1NCI1774 HETATM 1575 O HOH 13 26.026 62.068 -23.464 0.93 15.82 1NCI1775 HETATM 1576 O HOH 14 7.066 53.420 -29.207 0.98 18.25 1NCI1776 HETATM 1577 O HOH 15 19.647 45.661 -24.406 1.00 13.40 1NCI1777 HETATM 1578 O HOH 16 6.314 55.003 -34.665 1.00 23.28 1NCI1778 HETATM 1579 O HOH 17 31.625 56.146 -24.438 1.00 20.97 1NCI1779 HETATM 1580 O HOH 18 33.195 34.978 -28.208 0.86 16.08 1NCI1780 HETATM 1581 O HOH 19 38.132 35.074 -26.279 1.00 32.47 1NCI1781 HETATM 1582 O HOH 20 29.369 54.681 -29.703 1.00 21.79 1NCI1782 HETATM 1583 O HOH 21 1.836 42.818 -30.354 0.94 14.21 1NCI1783 HETATM 1584 O HOH 22 38.343 45.896 -24.230 1.00 21.11 1NCI1784 HETATM 1585 O HOH 23 21.274 41.692 -42.443 0.99 26.97 1NCI1785 HETATM 1586 O HOH 24 20.801 43.403 -36.412 1.00 18.27 1NCI1786 HETATM 1587 O HOH 25 21.629 56.350 -23.389 0.93 21.96 1NCI1787 HETATM 1588 O HOH 26 36.367 52.459 -21.679 0.92 15.78 1NCI1788 HETATM 1589 O HOH 27 0.497 41.840 -18.752 1.00 12.93 1NCI1789 HETATM 1590 O HOH 28 35.532 45.787 -24.832 0.84 9.44 1NCI1790 HETATM 1591 O HOH 29 37.827 43.879 -30.963 1.00 11.92 1NCI1791 HETATM 1592 O HOH 30 18.046 44.996 -36.178 0.91 18.52 1NCI1792 HETATM 1593 O HOH 31 38.683 41.890 -34.901 0.93 14.56 1NCI1793 HETATM 1594 O HOH 32 23.823 43.576 -20.646 1.00 17.96 1NCI1794 HETATM 1595 O HOH 33 35.605 49.920 -12.970 1.00 24.75 1NCI1795 HETATM 1596 O HOH 34 32.509 40.102 -47.221 1.00 19.29 1NCI1796 HETATM 1597 O HOH 35 34.663 54.092 -17.917 0.96 15.42 1NCI1797 HETATM 1598 O HOH 36 5.616 52.068 -27.526 0.86 13.65 1NCI1798 HETATM 1599 O HOH 37 -1.345 35.746 -14.348 0.81 13.19 1NCI1799 HETATM 1600 O HOH 38 37.932 47.004 -31.226 1.00 19.98 1NCI1800 HETATM 1601 O HOH 39 32.636 54.069 -36.920 1.00 19.01 1NCI1801 HETATM 1602 O HOH 40 0.943 44.893 -33.950 1.00 16.30 1NCI1802 HETATM 1603 O HOH 41 23.486 49.586 -37.609 1.00 20.73 1NCI1803 HETATM 1604 O HOH 42 34.231 48.685 -38.394 1.00 19.14 1NCI1804 HETATM 1605 O HOH 43 6.440 46.949 -46.759 0.92 10.84 1NCI1805 HETATM 1606 O HOH 44 6.956 31.887 -17.808 1.00 29.34 1NCI1806 HETATM 1607 O HOH 45 34.311 42.558 -16.169 0.93 14.77 1NCI1807 HETATM 1608 O HOH 46 21.175 48.914 -39.100 0.97 22.15 1NCI1808 HETATM 1609 O HOH 47 10.919 53.338 -29.327 0.97 49.57 1NCI1809 HETATM 1610 O HOH 48 5.882 30.770 -35.259 1.00 23.99 1NCI1810 HETATM 1611 O HOH 49 37.784 54.474 -22.583 0.92 46.28 1NCI1811 HETATM 1612 O HOH 50 -1.220 43.483 -47.753 0.88 26.02 1NCI1812 HETATM 1613 O HOH 51 6.796 57.034 -32.878 0.92 29.26 1NCI1813 HETATM 1614 O HOH 52 0.524 45.716 -31.354 0.86 21.37 1NCI1814 HETATM 1615 O HOH 53 8.642 29.773 -26.134 1.00 34.61 1NCI1815 HETATM 1616 O HOH 54 17.982 39.193 -39.313 1.00 34.83 1NCI1816 HETATM 1617 O HOH 55 5.038 35.291 -37.805 0.79 10.83 1NCI1817 HETATM 1618 O HOH 56 16.552 50.984 -31.289 1.00 38.96 1NCI1818 HETATM 1619 O HOH 57 12.101 33.439 -26.468 1.00 19.17 1NCI1819 HETATM 1620 O HOH 58 32.360 54.515 -26.797 1.00 23.01 1NCI1820 HETATM 1621 O HOH 59 -4.967 53.425 -37.546 1.00 19.37 1NCI1821 HETATM 1622 O HOH 60 41.861 42.003 -41.668 0.82 25.37 1NCI1822 HETATM 1623 O HOH 61 27.533 34.199 -30.535 0.78 24.14 1NCI1823 HETATM 1624 O HOH 62 -4.754 50.652 -40.268 0.92 39.00 1NCI1824 HETATM 1625 O HOH 63 41.161 43.437 -34.627 1.00 27.61 1NCI1825 HETATM 1626 O HOH 64 41.750 42.044 -36.648 0.97 43.45 1NCI1826 HETATM 1627 O HOH 65 6.684 33.836 -39.149 0.94 35.04 1NCI1827 HETATM 1628 O HOH 66 22.467 38.947 -29.192 0.80 22.50 1NCI1828 HETATM 1629 O HOH 67 22.941 37.770 -26.922 0.92 18.09 1NCI1829 HETATM 1630 O HOH 68 18.517 45.658 -39.042 1.00 26.48 1NCI1830 HETATM 1631 O HOH 69 -1.834 47.258 -42.931 0.61 79.23 1NCI1831 HETATM 1632 O HOH 70 23.110 52.101 -36.685 0.45 17.87 1NCI1832 HETATM 1633 O HOH 71 1.361 56.960 -53.584 0.53 94.36 1NCI1833 HETATM 1634 O HOH 72 31.452 38.247 -48.980 1.00 17.08 1NCI1834 HETATM 1635 O HOH 73 9.352 58.161 -52.173 1.00 19.36 1NCI1835 HETATM 1636 O HOH 74 7.382 48.999 -48.326 1.00 18.78 1NCI1836 HETATM 1637 O HOH 75 26.178 50.288 -39.579 1.00 23.85 1NCI1837 HETATM 1638 O HOH 76 32.490 41.371 -21.402 0.89 13.82 1NCI1838 HETATM 1639 O HOH 77 26.365 36.189 -53.532 0.73 22.36 1NCI1839 HETATM 1640 O HOH 78 33.269 57.314 -17.560 0.71 14.68 1NCI1840 HETATM 1641 O HOH 79 16.176 38.310 -37.700 1.00 22.10 1NCI1841 HETATM 1642 O HOH 80 34.470 50.130 -42.059 1.00 21.11 1NCI1842 HETATM 1643 O HOH 81 23.263 39.180 -34.610 1.00 27.24 1NCI1843 HETATM 1644 O HOH 82 40.383 42.745 -48.435 0.99 29.47 1NCI1844 HETATM 1645 O HOH 83 15.407 50.509 -25.583 0.96 33.80 1NCI1845 HETATM 1646 O HOH 84 3.319 53.275 -26.595 1.00 53.12 1NCI1846 HETATM 1647 O HOH 85 20.167 42.125 -40.071 1.00 31.94 1NCI1847 HETATM 1648 O HOH 86 1.907 44.886 -25.013 1.00 27.39 1NCI1848 HETATM 1649 O HOH 87 33.347 22.900 -43.567 0.92 30.22 1NCI1849 HETATM 1650 O HOH 88 21.366 51.164 -40.879 0.82 24.80 1NCI1850 HETATM 1651 O HOH 89 5.150 54.662 -44.125 0.92 27.91 1NCI1851 HETATM 1652 O HOH 90 8.381 60.644 -40.717 0.97 32.83 1NCI1852 HETATM 1653 O HOH 91 33.138 36.150 -24.184 1.00 48.59 1NCI1853 HETATM 1654 O HOH 92 33.181 32.072 -44.954 1.00 38.66 1NCI1854 HETATM 1655 O HOH 93 20.953 44.442 -38.999 0.57 18.88 1NCI1855 HETATM 1656 O HOH 94 27.801 54.609 -41.186 0.70 28.76 1NCI1856 HETATM 1657 O HOH 95 8.798 37.344 -45.727 1.00 37.80 1NCI1857 HETATM 1658 O HOH 96 32.497 49.181 -48.591 0.74 27.17 1NCI1858 HETATM 1659 O HOH 97 32.948 40.186 -16.341 1.00 35.43 1NCI1859 HETATM 1660 O HOH 98 -1.790 44.293 -30.566 0.86 29.76 1NCI1860 HETATM 1661 O HOH 99 19.971 33.623 -38.751 1.00 45.97 1NCI1861 HETATM 1662 O HOH 100 11.847 32.918 -40.724 1.00 59.32 1NCI1862 HETATM 1663 O HOH 101 18.659 34.917 -42.511 1.00 57.56 1NCI1863 HETATM 1664 O HOH 102 37.240 50.638 -41.170 1.00 25.90 1NCI1864 HETATM 1665 O HOH 103 25.062 43.043 -44.979 1.00 41.05 1NCI1865 HETATM 1666 O HOH 104 21.644 39.585 -25.140 1.00 64.36 1NCI1866 HETATM 1667 O HOH 105 31.404 30.984 -35.220 0.84 36.34 1NCI1867 HETATM 1668 O HOH 106 -5.260 53.475 -40.042 1.00 34.71 1NCI1868 HETATM 1669 O HOH 107 12.198 50.628 -18.758 1.00 45.27 1NCI1869 HETATM 1670 O HOH 108 26.572 56.825 -28.570 0.74 29.89 1NCI1870 HETATM 1671 O HOH 109 31.381 50.190 -46.096 1.00 28.09 1NCI1871 HETATM 1672 O HOH 110 37.714 41.858 -25.724 0.93 22.51 1NCI1872 HETATM 1673 O HOH 111 35.971 32.730 -47.328 1.00 30.30 1NCI1873 HETATM 1674 O HOH 112 2.125 36.704 -11.058 1.00 32.82 1NCI1874 HETATM 1675 O HOH 113 3.727 35.996 -46.013 0.73 21.27 1NCI1875 HETATM 1676 O HOH 114 11.949 51.330 -52.756 0.95 26.01 1NCI1876 HETATM 1677 O HOH 115 17.324 40.647 -41.428 1.00 48.27 1NCI1877 HETATM 1678 O HOH 116 0.411 30.084 -26.433 1.00 37.05 1NCI1878 HETATM 1679 O HOH 117 28.621 55.483 -36.282 1.00 38.59 1NCI1879 HETATM 1680 O HOH 118 22.579 46.546 -40.465 0.54 56.30 1NCI1880 HETATM 1681 O HOH 119 -4.584 48.721 -31.196 1.00 22.94 1NCI1881 HETATM 1682 O HOH 120 10.691 31.349 -36.237 0.75 33.84 1NCI1882 HETATM 1683 O HOH 121 15.221 43.742 -42.464 1.00 59.56 1NCI1883 HETATM 1684 O HOH 122 13.176 50.006 -21.386 0.88 37.16 1NCI1884 HETATM 1685 O HOH 123 3.238 46.714 -23.742 0.60 22.90 1NCI1885 HETATM 1686 O HOH 124 14.790 33.026 -26.537 1.00 48.39 1NCI1886 HETATM 1687 O HOH 125 30.295 55.054 -38.350 1.00 59.72 1NCI1887 HETATM 1688 O HOH 126 25.722 57.214 -31.356 1.00 51.70 1NCI1888 HETATM 1689 O HOH 127 5.088 34.597 -13.050 1.00 42.76 1NCI1889 HETATM 1690 O HOH 128 11.183 38.771 -45.736 0.97 40.72 1NCI1890 HETATM 1691 O HOH 129 36.881 45.985 -10.456 0.90 32.83 1NCI1891 HETATM 1692 O HOH 130 3.326 57.199 -45.208 0.78 31.70 1NCI1892 HETATM 1693 O HOH 131 14.777 38.233 -41.875 1.00 43.63 1NCI1893 HETATM 1694 O HOH 132 -3.161 46.879 -33.973 0.75 37.49 1NCI1894 HETATM 1695 O HOH 133 38.836 40.750 -32.301 0.81 31.52 1NCI1895 HETATM 1696 O HOH 134 12.466 47.389 -14.461 1.00 38.23 1NCI1896 HETATM 1697 O HOH 135 21.927 34.325 -28.324 1.00 50.57 1NCI1897 HETATM 1698 O HOH 136 19.327 41.534 -44.295 0.68 41.35 1NCI1898 HETATM 1699 O HOH 137 24.496 55.336 -37.309 1.00 44.62 1NCI1899 HETATM 1700 O HOH 138 44.374 37.972 -33.602 1.00 42.31 1NCI1900 HETATM 1701 O HOH 139 16.565 39.153 -31.755 1.00 41.29 1NCI1901 HETATM 1702 O HOH 140 5.470 43.052 -13.977 1.00 47.33 1NCI1902 HETATM 1703 O HOH 141 10.490 48.162 -17.039 1.00 46.83 1NCI1903 HETATM 1704 O HOH 142 33.886 31.429 -29.675 0.75 55.92 1NCI1904 HETATM 1705 O HOH 143 8.789 35.526 -13.647 0.93 40.17 1NCI1905 HETATM 1706 O HOH 144 3.789 35.178 -41.625 0.99 40.61 1NCI1906 HETATM 1707 O HOH 145 30.519 29.091 -36.863 0.93 43.85 1NCI1907 HETATM 1708 O HOH 146 42.760 39.954 -35.401 1.00 33.35 1NCI1908 HETATM 1709 O HOH 147 7.425 33.184 -42.786 1.00 60.43 1NCI1909 HETATM 1710 O HOH 148 -0.944 46.326 -28.010 0.92 36.01 1NCI1910 HETATM 1711 O HOH 149 10.942 38.289 -38.835 0.82 23.34 1NCI1911 HETATM 1712 O HOH 150 13.974 45.146 -44.303 1.00 39.78 1NCI1912 HETATM 1713 O HOH 151 -2.277 43.925 -38.848 1.00 44.88 1NCI1913 HETATM 1714 O HOH 152 23.749 44.169 -41.617 0.85 49.56 1NCI1914 HETATM 1715 O HOH 153 35.311 56.317 -25.286 1.00 43.60 1NCI1915 HETATM 1716 O HOH 154 22.474 37.462 -32.314 0.75 19.15 1NCI1916 HETATM 1717 O HOH 155 35.019 33.242 -27.164 1.00 57.94 1NCI1917 HETATM 1718 O HOH 156 6.561 29.021 -24.610 0.99 56.57 1NCI1918 HETATM 1719 O HOH 157 17.529 43.615 -40.721 0.78 41.41 1NCI1919 HETATM 1720 O HOH 158 27.342 46.609 -46.483 1.00 55.76 1NCI1920 HETATM 1721 O HOH 159 17.532 46.186 -42.206 1.00 35.29 1NCI1921 HETATM 1722 O HOH 160 5.789 36.981 -41.968 0.62 27.02 1NCI1922 HETATM 1723 O HOH 161 28.888 33.072 -55.565 0.71 65.16 1NCI1923 HETATM 1724 O HOH 162 38.091 53.642 -25.244 0.86 41.58 1NCI1924 HETATM 1725 O HOH 163 40.958 39.945 -43.865 0.76 28.01 1NCI1925 HETATM 1726 O HOH 164 25.312 33.077 -31.654 1.00 50.51 1NCI1926 HETATM 1727 O HOH 165 16.079 30.265 -34.656 0.90 40.59 1NCI1927 HETATM 1728 O HOH 166 15.940 40.082 -16.990 1.00 51.36 1NCI1928 HETATM 1729 O HOH 167 18.659 49.381 -25.115 1.00 22.61 1NCI1929 HETATM 1730 O HOH 168 38.785 46.598 -51.514 1.00 29.89 1NCI1930 HETATM 1731 O HOH 169 0.654 39.699 -50.771 1.00 39.15 1NCI1931 HETATM 1732 O HOH 170 13.541 57.327 -43.516 1.00 31.64 1NCI1932 HETATM 1733 O HOH 171 6.454 57.177 -36.230 1.00 40.91 1NCI1933 HETATM 1734 O HOH 172 41.069 41.449 -30.803 1.00 32.73 1NCI1934 HETATM 1735 O HOH 173 22.817 51.685 -32.953 1.00 37.83 1NCI1935 HETATM 1736 O HOH 174 31.384 29.679 -32.459 0.82 20.14 1NCI1936 HETATM 1737 O HOH 175 35.201 39.475 -54.388 0.85 21.02 1NCI1937 HETATM 1738 O HOH 176 43.725 36.510 -31.571 1.00 27.78 1NCI1938 HETATM 1739 O HOH 177 22.239 31.391 -48.875 1.00 37.41 1NCI1939 HETATM 1740 O HOH 178 42.373 42.369 -32.747 1.00 54.85 1NCI1940 HETATM 1741 O HOH 179 1.956 57.840 -47.687 1.00 43.14 1NCI1941 HETATM 1742 O HOH 180 35.736 50.587 -48.219 0.95 34.40 1NCI1942 HETATM 1743 O HOH 181 37.589 30.930 -49.142 1.00 41.45 1NCI1943 HETATM 1744 O HOH 182 2.592 39.272 -10.114 1.00 44.46 1NCI1944 HETATM 1745 O HOH 183 9.700 41.861 -51.833 1.00 51.29 1NCI1945 HETATM 1746 O HOH 184 39.569 41.438 -51.539 1.00 41.42 1NCI1946 HETATM 1747 O HOH 185 29.002 27.007 -41.271 0.86 27.89 1NCI1947 HETATM 1748 O HOH 186 7.468 38.205 -48.393 0.76 29.96 1NCI1948 HETATM 1749 O HOH 187 22.869 38.193 -22.130 1.00 63.70 1NCI1949 HETATM 1750 O HOH 188 24.468 30.814 -44.333 1.00 39.31 1NCI1950 HETATM 1751 O HOH 189 2.084 53.918 -46.765 0.87 35.04 1NCI1951 HETATM 1752 O HOH 190 -0.456 44.675 -50.738 0.98 36.88 1NCI1952 HETATM 1753 O HOH 191 13.550 29.996 -36.136 1.00 43.08 1NCI1953 HETATM 1754 O HOH 192 0.278 64.363 -48.329 0.45 28.10 1NCI1954 HETATM 1755 O HOH 193 23.902 51.746 -41.093 0.68 20.68 1NCI1955 HETATM 1756 O HOH 194 26.539 57.377 -36.263 0.68 32.99 1NCI1956 HETATM 1757 O HOH 195 31.990 38.544 -14.530 0.87 33.61 1NCI1957 HETATM 1758 O HOH 196 13.461 37.835 -39.717 0.68 35.30 1NCI1958 HETATM 1759 O HOH 197 46.257 36.345 -34.346 0.95 41.71 1NCI1959 HETATM 1760 O HOH 198 37.318 45.164 -60.325 0.58 62.40 1NCI1960 HETATM 1761 O HOH 199 39.790 45.350 -45.613 0.50 18.79 1NCI1961 HETATM 1762 O HOH 200 36.083 34.598 -51.336 1.00 52.85 1NCI1962 HETATM 1763 O HOH 201 -1.610 44.852 -34.719 0.83 40.49 1NCI1963 HETATM 1764 O HOH 202 14.524 37.737 -44.415 0.82 40.46 1NCI1964 HETATM 1765 O HOH 203 47.558 40.207 -33.049 1.00 80.94 1NCI1965 HETATM 1766 O HOH 204 30.041 48.920 -49.946 0.59 46.37 1NCI1966 HETATM 1767 O HOH 205 8.599 39.434 -54.329 1.00 37.69 1NCI1967 HETATM 1768 O HOH 206 18.018 35.706 -40.145 1.00 65.57 1NCI1968 HETATM 1769 O HOH 207 40.273 43.695 -29.704 1.00 41.13 1NCI1969 HETATM 1770 O HOH 208 41.807 37.715 -42.686 0.74 58.96 1NCI1970 HETATM 1771 O HOH 209 23.196 40.751 -23.311 1.00 40.56 1NCI1971 HETATM 1772 O HOH 210 29.518 38.789 -17.840 1.00 49.52 1NCI1972 HETATM 1773 O HOH 211 29.302 45.001 -52.593 0.89 28.48 1NCI1973 HETATM 1774 O HOH 212 -3.027 51.544 -42.572 0.90 39.89 1NCI1974 HETATM 1775 O HOH 213 47.389 40.641 -35.549 1.00 32.95 1NCI1975 HETATM 1776 O HOH 214 31.260 42.678 -47.716 0.90 21.17 1NCI1976 HETATM 1777 O HOH 215 35.394 30.834 -53.406 0.49 26.31 1NCI1977 HETATM 1778 O HOH 216 16.203 35.700 -38.025 1.00 35.81 1NCI1978 HETATM 1779 O HOH 217 20.705 54.895 -29.502 0.99 50.47 1NCI1979 HETATM 1780 O HOH 218 18.499 35.897 -22.494 0.99 27.91 1NCI1980 HETATM 1781 O HOH 219 8.113 30.509 -36.599 0.84 43.70 1NCI1981 HETATM 1782 O HOH 220 19.734 54.062 -22.730 1.00 45.51 1NCI1982 HETATM 1783 O HOH 221 19.103 52.083 -33.337 0.64 57.87 1NCI1983 HETATM 1784 O HOH 222 27.560 39.090 -53.816 1.00 47.10 1NCI1984 HETATM 1785 O HOH 223 22.243 43.716 -43.889 1.00 52.46 1NCI1985 HETATM 1786 O HOH 224 36.098 36.792 -54.270 0.91 37.27 1NCI1986 HETATM 1787 O HOH 225 42.629 38.141 -49.130 1.00 47.64 1NCI1987 HETATM 1788 O HOH 226 3.507 47.245 -53.845 1.00 40.10 1NCI1988 HETATM 1789 O HOH 227 26.477 36.915 -22.580 0.52 43.02 1NCI1989 HETATM 1790 O HOH 228 44.221 39.999 -40.495 0.92 45.19 1NCI1990 HETATM 1791 O HOH 229 21.572 31.201 -43.453 0.87 42.43 1NCI1991 HETATM 1792 O HOH 230 30.321 36.675 -19.273 0.77 38.92 1NCI1992 HETATM 1793 O HOH 231 26.183 37.280 -19.668 0.86 34.51 1NCI1993 HETATM 1794 O HOH 232 29.516 25.453 -45.215 0.94 31.69 1NCI1994 HETATM 1795 O HOH 233 30.212 57.269 -34.715 1.00 38.78 1NCI1995 HETATM 1796 O HOH 234 31.697 25.531 -40.993 0.95 34.37 1NCI1996 HETATM 1797 O HOH 235 5.074 28.148 -19.396 0.85 58.66 1NCI1997 HETATM 1798 O HOH 236 32.205 52.018 -14.612 1.00 38.95 1NCI1998 HETATM 1799 O HOH 237 2.085 52.341 -50.380 0.73 35.22 1NCI1999 HETATM 1800 O HOH 238 21.807 58.325 -20.890 1.00 40.80 1NCI2000 HETATM 1801 O HOH 239 13.108 54.713 -30.771 0.63 17.68 1NCI2001 HETATM 1802 O HOH 240 11.695 54.747 -25.393 1.00 41.21 1NCI2002 HETATM 1803 O HOH 241 9.716 39.316 -49.255 1.00 61.23 1NCI2003 HETATM 1804 O HOH 242 14.144 32.752 -23.662 1.00 61.22 1NCI2004 HETATM 1805 O HOH 243 49.392 42.673 -36.804 1.00 51.79 1NCI2005 HETATM 1806 O HOH 244 20.432 35.932 -33.447 0.99 37.22 1NCI2006 HETATM 1807 O HOH 245 28.068 42.996 -49.681 1.00 55.42 1NCI2007 HETATM 1808 O HOH 246 35.945 49.424 -59.527 0.47 52.75 1NCI2008 HETATM 1809 O HOH 247 29.234 42.525 -54.077 0.28 46.95 1NCI2009 HETATM 1810 O HOH 248 31.612 51.280 -50.551 0.50 31.96 1NCI2010 HETATM 1811 O HOH 249 33.640 52.582 -48.941 0.67 47.61 1NCI2011 HETATM 1812 O HOH 250 24.784 49.990 -43.430 0.79 50.91 1NCI2012 HETATM 1813 O HOH 251 26.903 60.477 -28.010 0.92 33.09 1NCI2013 HETATM 1814 O HOH 252 15.691 32.273 -28.961 0.61 29.41 1NCI2014 HETATM 1815 O HOH 253 37.768 57.626 -18.705 0.82 46.28 1NCI2015 HETATM 1816 O HOH 254 37.231 55.588 -35.110 0.99 47.34 1NCI2016 HETATM 1817 O HOH 255 32.913 51.687 -39.821 0.92 47.51 1NCI2017 HETATM 1818 O HOH 256 4.860 38.021 -9.231 0.75 33.26 1NCI2018 HETATM 1819 O HOH 257 37.759 34.622 -47.516 0.73 49.78 1NCI2019 HETATM 1820 O HOH 258 31.956 25.080 -38.490 0.68 39.17 1NCI2020 HETATM 1821 O HOH 259 35.677 28.538 -48.686 0.55 29.48 1NCI2021 HETATM 1822 O HOH 260 30.846 23.188 -45.447 0.63 23.88 1NCI2022 HETATM 1823 O HOH 261 24.201 30.593 -41.696 1.00 50.35 1NCI2023 HETATM 1824 O HOH 262 29.350 32.832 -29.033 0.84 53.84 1NCI2024 HETATM 1825 O HOH 263 29.717 51.250 -14.057 0.77 34.43 1NCI2025 HETATM 1826 O HOH 264 31.719 44.764 -13.810 0.89 40.55 1NCI2026 HETATM 1827 O HOH 265 31.793 42.112 -13.852 0.77 52.45 1NCI2027 HETATM 1828 O HOH 266 25.117 41.847 -33.853 0.48 50.01 1NCI2028 HETATM 1829 O HOH 267 24.769 54.603 -17.386 0.94 38.06 1NCI2029 HETATM 1830 O HOH 268 21.893 51.890 -19.060 0.93 52.61 1NCI2030 HETATM 1831 O HOH 269 18.035 55.704 -21.385 0.03 53.74 1NCI2031 HETATM 1832 O HOH 270 21.099 55.594 -20.423 0.49 70.31 1NCI2032 HETATM 1833 O HOH 271 17.460 51.314 -27.051 0.79 43.73 1NCI2033 HETATM 1834 O HOH 272 19.157 53.677 -26.223 0.58 56.17 1NCI2034 HETATM 1835 O HOH 273 22.897 43.408 -17.501 1.00 62.63 1NCI2035 HETATM 1836 O HOH 274 23.866 45.972 -17.016 0.52 36.11 1NCI2036 HETATM 1837 O HOH 275 21.213 55.625 -26.898 0.80 23.46 1NCI2037 HETATM 1838 O HOH 276 15.829 54.679 -30.477 0.44 44.04 1NCI2038 HETATM 1839 O HOH 277 15.433 56.950 -33.912 0.76 57.62 1NCI2039 HETATM 1840 O HOH 278 23.229 57.714 -35.864 1.00 49.67 1NCI2040 HETATM 1841 O HOH 279 20.136 46.593 -44.262 0.16 55.20 1NCI2041 HETATM 1842 O HOH 280 0.622 50.401 -52.341 0.71 30.70 1NCI2042 HETATM 1843 O HOH 281 9.642 44.322 -53.212 1.00 47.39 1NCI2043 HETATM 1844 O HOH 282 37.231 44.170 -53.828 0.70 54.67 1NCI2044 HETATM 1845 O HOH 283 10.755 48.823 -53.505 0.97 47.53 1NCI2045 HETATM 1846 O HOH 284 40.006 48.955 -50.981 1.00 58.93 1NCI2046 HETATM 1847 O HOH 285 1.777 35.417 -48.073 1.00 56.18 1NCI2047 HETATM 1848 O HOH 286 -0.875 37.840 -49.690 0.53 21.78 1NCI2048 HETATM 1849 O HOH 287 6.178 36.426 -46.887 0.96 61.76 1NCI2049 HETATM 1850 O HOH 288 8.421 34.618 -45.589 0.66 54.65 1NCI2050 HETATM 1851 O HOH 289 10.322 32.961 -44.203 0.94 50.14 1NCI2051 HETATM 1852 O HOH 290 12.160 41.276 -46.050 0.90 44.99 1NCI2052 HETATM 1853 O HOH 291 15.056 40.824 -44.351 0.88 59.88 1NCI2053 HETATM 1854 O HOH 292 12.639 43.826 -46.085 1.00 39.96 1NCI2054 HETATM 1855 O HOH 293 16.658 37.327 -35.123 0.63 59.80 1NCI2055 HETATM 1856 O HOH 294 17.201 34.145 -35.068 0.62 38.33 1NCI2056 HETATM 1857 O HOH 295 20.831 35.800 -23.630 1.00 52.93 1NCI2057 HETATM 1858 O HOH 296 17.769 35.565 -20.047 1.00 46.57 1NCI2058 HETATM 1859 O HOH 297 18.944 38.035 -19.405 1.00 55.42 1NCI2059 HETATM 1860 O HOH 298 0.000 57.480 -34.032 0.90 21.58 1NCI2060 HETATM 1861 O HOH 299 -1.034 -1.113 -25.587 0.00 70.59 1NCI2061 HETATM 1862 O HOH 300 37.569 28.743 -34.400 0.89 38.69 1NCI2062 HETATM 1863 O HOH 301 28.172 25.855 -50.318 0.67 47.85 1NCI2063 HETATM 1864 O HOH 302 31.214 23.023 -48.106 0.69 47.48 1NCI2064 HETATM 1865 O HOH 303 17.560 36.109 -32.826 0.99 42.36 1NCI2065 HETATM 1866 O HOH 304 29.638 38.515 -56.447 0.82 45.06 1NCI2066 HETATM 1867 O HOH 305 44.320 38.544 -37.141 0.97 43.55 1NCI2067 HETATM 1868 O HOH 306 26.140 27.385 -36.771 0.87 46.48 1NCI2068 HETATM 1869 O HOH 307 41.058 54.596 -13.832 0.93 40.99 1NCI2069 HETATM 1870 O HOH 308 11.977 60.282 -35.826 0.96 44.47 1NCI2070 HETATM 1871 O HOH 309 11.559 45.797 -52.093 0.64 44.31 1NCI2071 HETATM 1872 O HOH 310 7.928 35.339 -48.710 0.86 43.30 1NCI2072 HETATM 1873 O HOH 311 18.180 32.975 -27.330 0.90 39.85 1NCI2073 HETATM 1874 O HOH 312 21.676 39.099 -19.928 1.00 43.05 1NCI2074 HETATM 1875 O HOH 313 2.708 58.055 -29.928 0.70 45.63 1NCI2075 HETATM 1876 O HOH 314 0.000 57.480 -30.377 1.00 32.07 1NCI2076 HETATM 1877 O HOH 315 14.669 51.541 -23.194 0.61 45.48 1NCI2077 CONECT 1560 1561 1562 1NCI2078 CONECT 1561 1560 1NCI2079 CONECT 1562 1560 1NCI2080 MASTER 120 12 1 1 14 0 1 6 1875 2 3 18 1NCI2081 END 1NCI2082