HEADER CELL ADHESION PROTEIN 23-MAR-95 1NCG 1NCG 2 COMPND MOLECULE: N-CADHERIN; 1NCG 3 COMPND 2 DOMAIN: DOMAIN 1 CONSISTING OF RESIDUES 1 - 108; 1NCG 4 COMPND 3 SYNONYMS: NEURAL CADHERIN DOMAIN 1, NCD1; 1NCG 5 COMPND 4 MUTATION: PCR MUTATION D27G, CLONING ARTIFACT GIVES TWO 1NCG 6 COMPND 5 EXTRA RESIDUES (GLY-SER) AT N-TERMINUS (INS(G-2,S-1)) 1NCG 7 SOURCE MOLECULE: N-CADHERIN; 1NCG 8 SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; 1NCG 9 SOURCE 3 ORGANISM_COMMON: MOUSE; 1NCG 10 SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; 1NCG 11 SOURCE 5 EXPRESSION_SYSTEM_PLASMID: PGEX-2T 1NCG 12 KEYWDS CADHERIN 1NCG 13 EXPDTA SYNCHROTRON X-RAY DIFFRACTION 1NCG 14 AUTHOR L.SHAPIRO,A.M.FANNON,P.D.KWONG,A.THOMPSON,M.S.LEHMANN, 1NCG 15 AUTHOR 2 G.GRUBEL,J.-F.LEGRAND,J.ALS-NIELSEN,D.R.COLMAN, 1NCG 16 AUTHOR 3 W.A.HENDRICKSON 1NCG 17 REVDAT 1 10-JUL-95 1NCG 0 1NCG 18 JRNL AUTH L.SHAPIRO,A.M.FANNON,P.D.KWONG,A.THOMPSON, 1NCG 19 JRNL AUTH 2 M.S.LEHMANN,G.GRUBEL,J.-F.LEGRAND,J.ALS-NIELSEN, 1NCG 20 JRNL AUTH 3 D.R.COLMAN,W.A.HENDRICKSON 1NCG 21 JRNL TITL STRUCTURAL BASIS OF CELL-CELL ADHESION BY CADHERINS 1NCG 22 JRNL REF NATURE V. 374 327 1995 1NCG 23 JRNL REFN ASTM NATUAS UK ISSN 0028-0836 0006 1NCG 24 REMARK 1 1NCG 25 REMARK 2 1NCG 26 REMARK 2 RESOLUTION. 1.9 ANGSTROMS. 1NCG 27 REMARK 3 1NCG 28 REMARK 3 REFINEMENT. 1NCG 29 REMARK 3 PROGRAM X-PLOR 1NCG 30 REMARK 3 AUTHORS BRUNGER 1NCG 31 REMARK 3 R VALUE 0.217 1NCG 32 REMARK 3 FREE R VALUE 0.201 1NCG 33 REMARK 3 MEAN B VALUE 26.2 ANGSTROMS**2 1NCG 34 REMARK 3 RMSD BOND DISTANCES 0.015 ANGSTROMS 1NCG 35 REMARK 3 RMSD BOND ANGLES 2.10 DEGREES 1NCG 36 REMARK 3 1NCG 37 REMARK 3 NUMBER OF REFLECTIONS 17546 1NCG 38 REMARK 3 RESOLUTION RANGE 5.0 - 2.1 ANGSTROMS 1NCG 39 REMARK 3 DATA CUTOFF 2.0 SIGMA(F) 1NCG 40 REMARK 3 COMPLETENESS FOR RANGE 92.8 % 1NCG 41 REMARK 3 1NCG 42 REMARK 3 DATA COLLECTION. 1NCG 43 REMARK 3 NUMBER OF UNIQUE REFLECTIONS 18803 1NCG 44 REMARK 3 COMPLETENESS OF DATA 93.4 % 1NCG 45 REMARK 3 1NCG 46 REMARK 3 NUMBER OF ATOMS USED IN REFINEMENT. 1NCG 47 REMARK 3 NUMBER OF PROTEIN ATOMS 766 1NCG 48 REMARK 3 NUMBER OF NUCLEIC ACID ATOMS 0 1NCG 49 REMARK 3 NUMBER OF HETEROGEN ATOMS 1 1NCG 50 REMARK 3 NUMBER OF SOLVENT ATOMS 202 1NCG 51 REMARK 4 1NCG 52 REMARK 4 THIS ENTRY PRESENTS CRYSTAL FORM A AS DESCRIBED IN THE 1NCG 53 REMARK 4 PAPER CITED IN JRNL RECORDS ABOVE. 1NCG 54 REMARK 5 1NCG 55 REMARK 5 RESIDUE NUMBERING IS FOR THE MATURE PROTEIN. 1NCG 56 REMARK 6 1NCG 57 REMARK 6 THE FIRST TWO N-TERMINAL RESIDUES (GLY -2 AND SER -1) 1NCG 58 REMARK 6 ARE DUE TO A CLONING ARTIFACT. THE MUTATION ASP 27 TO 1NCG 59 REMARK 6 GLY IS DUE TO A CLONING ARTIFACT. 1NCG 60 REMARK 7 1NCG 61 REMARK 7 THE FIRST TWO N-TERMINAL RESIDUES (GLY -2 AND SER -1) 1NCG 62 REMARK 7 ARE DISORDERED IN THIS CRYSTAL FORM. THE ASP 1 SIDE CHAIN 1NCG 63 REMARK 7 WAS NOT MODELED DUE TO POOR DENSITY. THE ARG 35 SIDE 1NCG 64 REMARK 7 CHAIN WAS NOT MODELED BEYOND THE GAMMA CARBON DUE TO 1NCG 65 REMARK 7 POOR DENSITY. 1NCG 66 REMARK 8 1NCG 67 REMARK 8 THE MODEL INCLUDES ONE YTTERBIUM ION (YB 3+) BOUND AT THE 1NCG 68 REMARK 8 PUTATIVE CALCIUM BINDING SITE. 1NCG 69 REMARK 9 1NCG 70 REMARK 9 THE ASYMMETRIC UNIT CONTAINS A SINGLE MOLECULE. A CADHERIN 1NCG 71 REMARK 9 STRAND DIMER IS FORMED WITH THE (Y, X, -Z) SYMMETRY MATE. 1NCG 72 REMARK 9 AN ADHESION DIMER IS FORMED WITH THE (1-Y, 1-X, 1/2-Z) 1NCG 73 REMARK 9 SYMMETRY MATE. NOTE THAT THESE TRANSFORMATIONS ARE IN THE 1NCG 74 REMARK 9 NON-ORTHOGONAL HEXAGONAL LATTICE. 1NCG 75 REMARK 18 1NCG 76 REMARK 18 EXPERIMENTAL DETAILS 1NCG 77 REMARK 18 DATE OF DATA COLLECTION : AUG-94 1NCG 78 REMARK 18 SOURCE : NSLS 1NCG 79 REMARK 18 BEAMLINE : X4A 1NCG 80 REMARK 18 MONOCHROMATIC (Y/N) : Y 1NCG 81 REMARK 18 WAVELENGTH OR RANGE (A) : 0.98 1NCG 82 REMARK 18 DETECTOR TYPE : IMAGE PLATE 1NCG 83 REMARK 18 DETECTOR MANUFACTURER : FUJI 1NCG 84 REMARK 18 INTENSITY-INTEGRATION SOFTWARE : DENZO 1NCG 85 REMARK 18 MERGING R VALUE (INTENSITY) : 0.045 1NCG 86 REMARK 18 1NCG 87 REMARK 18 5 WAVELENGTH MAD EXPERIMENT TAKEN NEAR URANIUM L(III) 1NCG 88 REMARK 18 EDGE. 1NCG 89 REMARK 18 1NCG 90 REMARK 18 INITIAL PHASING WAS OBTAINED FROM TWO MULTI-WAVELENGTH 1NCG 91 REMARK 18 ANOMALOUS DIFFRACTION (MAD) EXPERIMENTS (ONE 4 WAVELENGTHS 1NCG 92 REMARK 18 AND ONE FIVE WAVELENGTHS) PERFORMED USING RADIATION 1NCG 93 REMARK 18 NEAR THE YTTERBIUM LIII ABSORPTION EDGE PRODUCED BY AN 1NCG 94 REMARK 18 UNDULATOR AT THE EUROPEAN SYNCHROTRON RADIATION FACILITY. 1NCG 95 REMARK 18 HIGH RESOLUTION REFINEMENT WAS COMPLETED STARTING FROM 1NCG 96 REMARK 18 A MODEL PRODUCED FROM ANOTHER MAD EXPERIMENT ON THE 1NCG 97 REMARK 18 TYPE C CRYSTAL OF THIS MOLECULE. 1NCG 98 REMARK 999 1NCG 99 REMARK 999 CROSS REFERENCE TO SEQUENCE DATABASE 1NCG 100 REMARK 999 SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME 1NCG 101 REMARK 999 CADN_MOUSE 1NCG 102 REMARK 999 1NCG 103 REMARK 999 SEQUENCE 1NCG 104 REMARK 999 REFERENCE 1NCG 105 REMARK 999 DATABASE: PIR-PROTEIN 1NCG 106 REMARK 999 ENTRY_NAME: A32759 1NCG 107 SEQRES 1 110 GLY SER ASP TRP VAL ILE PRO PRO ILE ASN LEU PRO GLU 1NCG 108 SEQRES 2 110 ASN SER ARG GLY PRO PHE PRO GLN GLU LEU VAL ARG ILE 1NCG 109 SEQRES 3 110 ARG SER GLY ARG ASP LYS ASN LEU SER LEU ARG TYR SER 1NCG 110 SEQRES 4 110 VAL THR GLY PRO GLY ALA ASP GLN PRO PRO THR GLY ILE 1NCG 111 SEQRES 5 110 PHE ILE ILE ASN PRO ILE SER GLY GLN LEU SER VAL THR 1NCG 112 SEQRES 6 110 LYS PRO LEU ASP ARG GLU LEU ILE ALA ARG PHE HIS LEU 1NCG 113 SEQRES 7 110 ARG ALA HIS ALA VAL ASP ILE ASN GLY ASN GLN VAL GLU 1NCG 114 SEQRES 8 110 ASN PRO ILE ASP ILE VAL ILE ASN VAL ILE ASP MET ASN 1NCG 115 SEQRES 9 110 ASP ASN ARG PRO GLU PHE 1NCG 116 FTNOTE 1 1NCG 117 FTNOTE 1 CIS PROLINE - PRO 16 1NCG 118 FTNOTE 2 1NCG 119 FTNOTE 2 CIS PROLINE - PRO 18 1NCG 120 FTNOTE 3 1NCG 121 FTNOTE 3 CIS PROLINE - PRO 47 1NCG 122 HET YB 500 1 YTTERBIUM (III) ION 1NCG 123 FORMUL 2 YB YB1 3+ 1NCG 124 FORMUL 3 HOH *202(H2 O1) 1NCG 125 HELIX 1 1 GLY 27 ASN 31 5 1NCG 126 SHEET 1 A 4 ILE 7 PRO 10 0 1NCG 127 SHEET 2 A 4 ILE 92 ILE 99 1 N ASN 97 O ILE 7 1NCG 128 SHEET 3 A 4 ARG 73 VAL 81 -1 N ALA 78 O ILE 92 1NCG 129 SHEET 4 A 4 ARG 35 THR 39 -1 N THR 39 O ARG 77 1NCG 130 SHEET 1 B 3 PHE 51 ILE 53 0 1NCG 131 SHEET 2 B 3 GLN 59 VAL 62 -1 N SER 61 O ILE 52 1NCG 132 SHEET 3 B 3 GLN 19 ARG 23 -1 N VAL 22 O LEU 60 1NCG 133 SITE 1 YB 1 YB 500 1NCG 134 CRYST1 77.600 77.600 74.900 90.00 90.00 120.00 P 63 2 2 12 1NCG 135 ORIGX1 1.000000 0.000000 0.000000 0.00000 1NCG 136 ORIGX2 0.000000 1.000000 0.000000 0.00000 1NCG 137 ORIGX3 0.000000 0.000000 1.000000 0.00000 1NCG 138 SCALE1 0.012887 0.007440 0.000000 0.00000 1NCG 139 SCALE2 0.000000 0.014880 0.000000 0.00000 1NCG 140 SCALE3 0.000000 0.000000 0.013351 0.00000 1NCG 141 ATOM 1 N ASP 1 18.175 39.116 -1.801 1.00 32.79 1NCG 142 ATOM 2 CA ASP 1 16.844 39.037 -1.185 1.00 31.89 1NCG 143 ATOM 3 C ASP 1 16.051 37.833 -1.643 1.00 31.52 1NCG 144 ATOM 4 O ASP 1 14.813 37.863 -1.663 1.00 32.78 1NCG 145 ATOM 5 N TRP 2 16.742 36.759 -1.988 1.00 30.27 1NCG 146 ATOM 6 CA TRP 2 16.080 35.525 -2.391 1.00 29.08 1NCG 147 ATOM 7 C TRP 2 15.402 34.954 -1.147 1.00 29.38 1NCG 148 ATOM 8 O TRP 2 16.021 34.882 -0.098 1.00 28.70 1NCG 149 ATOM 9 CB TRP 2 17.120 34.519 -2.886 1.00 28.06 1NCG 150 ATOM 10 CG TRP 2 17.719 34.859 -4.210 1.00 27.37 1NCG 151 ATOM 11 CD1 TRP 2 19.004 35.245 -4.450 1.00 26.70 1NCG 152 ATOM 12 CD2 TRP 2 17.058 34.860 -5.486 1.00 26.48 1NCG 153 ATOM 13 NE1 TRP 2 19.177 35.500 -5.787 1.00 26.37 1NCG 154 ATOM 14 CE2 TRP 2 17.999 35.265 -6.446 1.00 27.51 1NCG 155 ATOM 15 CE3 TRP 2 15.762 34.553 -5.893 1.00 27.18 1NCG 156 ATOM 16 CZ2 TRP 2 17.694 35.380 -7.808 1.00 26.12 1NCG 157 ATOM 17 CZ3 TRP 2 15.451 34.663 -7.265 1.00 28.05 1NCG 158 ATOM 18 CH2 TRP 2 16.422 35.067 -8.194 1.00 27.17 1NCG 159 ATOM 19 N VAL 3 14.133 34.576 -1.255 1.00 28.93 1NCG 160 ATOM 20 CA VAL 3 13.419 33.994 -0.115 1.00 29.14 1NCG 161 ATOM 21 C VAL 3 13.570 32.484 -0.211 1.00 28.02 1NCG 162 ATOM 22 O VAL 3 13.401 31.890 -1.294 1.00 28.27 1NCG 163 ATOM 23 CB VAL 3 11.898 34.400 -0.049 1.00 29.43 1NCG 164 ATOM 24 CG1 VAL 3 11.566 35.501 -1.014 1.00 30.64 1NCG 165 ATOM 25 CG2 VAL 3 10.985 33.224 -0.261 1.00 30.47 1NCG 166 ATOM 26 N ILE 4 13.925 31.851 0.901 1.00 26.19 1NCG 167 ATOM 27 CA ILE 4 14.102 30.411 0.891 1.00 24.98 1NCG 168 ATOM 28 C ILE 4 12.702 29.840 0.769 1.00 25.45 1NCG 169 ATOM 29 O ILE 4 11.753 30.392 1.342 1.00 25.02 1NCG 170 ATOM 30 CB ILE 4 14.799 29.940 2.209 1.00 25.48 1NCG 171 ATOM 31 CG1 ILE 4 15.121 28.430 2.245 1.00 24.50 1NCG 172 ATOM 32 CG2 ILE 4 13.937 30.287 3.365 1.00 27.32 1NCG 173 ATOM 33 CD1 ILE 4 15.745 27.929 3.649 1.00 20.73 1NCG 174 ATOM 34 N PRO 5 12.523 28.812 -0.079 1.00 25.59 1NCG 175 ATOM 35 CA PRO 5 11.201 28.206 -0.240 1.00 25.45 1NCG 176 ATOM 36 C PRO 5 10.795 27.554 1.070 1.00 26.10 1NCG 177 ATOM 37 O PRO 5 11.616 26.909 1.726 1.00 24.94 1NCG 178 ATOM 38 CB PRO 5 11.457 27.102 -1.255 1.00 25.69 1NCG 179 ATOM 39 CG PRO 5 12.561 27.634 -2.076 1.00 25.83 1NCG 180 ATOM 40 CD PRO 5 13.482 28.218 -1.022 1.00 25.83 1NCG 181 ATOM 41 N PRO 6 9.494 27.587 1.383 1.00 26.63 1NCG 182 ATOM 42 CA PRO 6 8.933 27.001 2.607 1.00 26.50 1NCG 183 ATOM 43 C PRO 6 9.140 25.512 2.579 1.00 27.02 1NCG 184 ATOM 44 O PRO 6 9.157 24.905 1.491 1.00 27.51 1NCG 185 ATOM 45 CB PRO 6 7.445 27.317 2.489 1.00 26.44 1NCG 186 ATOM 46 CG PRO 6 7.427 28.599 1.681 1.00 27.76 1NCG 187 ATOM 47 CD PRO 6 8.443 28.256 0.600 1.00 27.62 1NCG 188 ATOM 48 N ILE 7 9.344 24.921 3.751 1.00 25.81 1NCG 189 ATOM 49 CA ILE 7 9.521 23.495 3.834 1.00 26.14 1NCG 190 ATOM 50 C ILE 7 8.110 22.999 4.115 1.00 25.68 1NCG 191 ATOM 51 O ILE 7 7.284 23.743 4.615 1.00 24.57 1NCG 192 ATOM 52 CB ILE 7 10.368 23.048 5.048 1.00 27.10 1NCG 193 ATOM 53 CG1 ILE 7 11.770 23.663 5.098 1.00 28.29 1NCG 194 ATOM 54 CG2 ILE 7 10.502 21.520 5.043 1.00 29.09 1NCG 195 ATOM 55 CD1 ILE 7 12.588 23.132 6.349 1.00 24.14 1NCG 196 ATOM 56 N ASN 8 7.820 21.759 3.769 1.00 25.75 1NCG 197 ATOM 57 CA ASN 8 6.504 21.208 4.042 1.00 26.93 1NCG 198 ATOM 58 C ASN 8 6.759 19.932 4.817 1.00 27.13 1NCG 199 ATOM 59 O ASN 8 7.507 19.080 4.355 1.00 27.84 1NCG 200 ATOM 60 CB ASN 8 5.745 20.920 2.748 1.00 27.85 1NCG 201 ATOM 61 CG ASN 8 5.414 22.173 1.989 1.00 28.21 1NCG 202 ATOM 62 OD1 ASN 8 4.394 22.809 2.248 1.00 28.54 1NCG 203 ATOM 63 ND2 ASN 8 6.270 22.539 1.036 1.00 29.59 1NCG 204 ATOM 64 N LEU 9 6.225 19.839 6.034 1.00 26.88 1NCG 205 ATOM 65 CA LEU 9 6.431 18.655 6.859 1.00 26.20 1NCG 206 ATOM 66 C LEU 9 5.121 18.028 7.246 1.00 25.20 1NCG 207 ATOM 67 O LEU 9 4.201 18.709 7.682 1.00 23.61 1NCG 208 ATOM 68 CB LEU 9 7.180 18.981 8.163 1.00 26.34 1NCG 209 ATOM 69 CG LEU 9 8.525 19.655 8.251 1.00 27.77 1NCG 210 ATOM 70 CD1 LEU 9 9.042 19.284 9.665 1.00 28.23 1NCG 211 ATOM 71 CD2 LEU 9 9.534 19.153 7.184 1.00 27.62 1NCG 212 ATOM 72 N PRO 10 4.990 16.718 7.014 1.00 25.29 1NCG 213 ATOM 73 CA PRO 10 3.725 16.145 7.400 1.00 24.61 1NCG 214 ATOM 74 C PRO 10 3.721 15.972 8.910 1.00 24.81 1NCG 215 ATOM 75 O PRO 10 4.776 15.874 9.548 1.00 24.27 1NCG 216 ATOM 76 CB PRO 10 3.713 14.815 6.662 1.00 25.70 1NCG 217 ATOM 77 CG PRO 10 5.126 14.459 6.556 1.00 26.16 1NCG 218 ATOM 78 CD PRO 10 5.793 15.762 6.227 1.00 25.86 1NCG 219 ATOM 79 N GLU 11 2.517 16.050 9.453 1.00 25.08 1NCG 220 ATOM 80 CA GLU 11 2.247 15.870 10.869 1.00 24.68 1NCG 221 ATOM 81 C GLU 11 2.498 14.414 11.206 1.00 25.78 1NCG 222 ATOM 82 O GLU 11 2.824 13.608 10.331 1.00 26.20 1NCG 223 ATOM 83 CB GLU 11 0.794 16.229 11.168 1.00 24.13 1NCG 224 ATOM 84 CG GLU 11 -0.271 15.455 10.406 1.00 22.50 1NCG 225 ATOM 85 CD GLU 11 -1.688 15.754 10.879 1.00 22.74 1NCG 226 ATOM 86 OE1 GLU 11 -1.937 16.705 11.632 1.00 22.09 1NCG 227 ATOM 87 OE2 GLU 11 -2.635 15.028 10.536 1.00 22.92 1NCG 228 ATOM 88 N ASN 12 2.384 14.079 12.481 1.00 26.69 1NCG 229 ATOM 89 CA ASN 12 2.548 12.715 12.939 1.00 27.27 1NCG 230 ATOM 90 C ASN 12 3.761 11.952 12.474 1.00 27.75 1NCG 231 ATOM 91 O ASN 12 3.718 10.732 12.338 1.00 28.30 1NCG 232 ATOM 92 CB ASN 12 1.293 11.906 12.642 1.00 27.65 1NCG 233 ATOM 93 CG ASN 12 0.048 12.655 12.983 1.00 28.01 1NCG 234 ATOM 94 OD1 ASN 12 -0.105 13.150 14.094 1.00 29.45 1NCG 235 ATOM 95 ND2 ASN 12 -0.838 12.794 12.010 1.00 29.17 1NCG 236 ATOM 96 N SER 13 4.872 12.641 12.304 1.00 28.22 1NCG 237 ATOM 97 CA SER 13 6.082 11.944 11.920 1.00 29.35 1NCG 238 ATOM 98 C SER 13 6.465 11.021 13.062 1.00 31.19 1NCG 239 ATOM 99 O SER 13 6.371 11.394 14.242 1.00 31.33 1NCG 240 ATOM 100 CB SER 13 7.212 12.909 11.685 1.00 28.45 1NCG 241 ATOM 101 OG SER 13 8.406 12.191 11.441 1.00 28.90 1NCG 242 ATOM 102 N ARG 14 6.898 9.817 12.711 1.00 32.14 1NCG 243 ATOM 103 CA ARG 14 7.331 8.840 13.704 1.00 33.08 1NCG 244 ATOM 104 C ARG 14 8.805 9.021 14.025 1.00 32.35 1NCG 245 ATOM 105 O ARG 14 9.381 8.259 14.789 1.00 32.44 1NCG 246 ATOM 106 CB ARG 14 7.075 7.434 13.181 1.00 34.86 1NCG 247 ATOM 107 CG ARG 14 5.682 6.912 13.476 1.00 38.20 1NCG 248 ATOM 108 CD ARG 14 5.432 5.644 12.682 1.00 42.81 1NCG 249 ATOM 109 NE ARG 14 4.365 4.819 13.270 1.00 46.60 1NCG 250 ATOM 110 CZ ARG 14 4.105 3.565 12.904 1.00 48.46 1NCG 251 ATOM 111 NH1 ARG 14 4.835 2.986 11.944 1.00 49.64 1NCG 252 ATOM 112 NH2 ARG 14 3.165 2.868 13.548 1.00 50.00 1NCG 253 ATOM 113 N GLY 15 9.399 10.074 13.490 1.00 32.05 1NCG 254 ATOM 114 CA GLY 15 10.806 10.299 13.729 1.00 32.02 1NCG 255 ATOM 115 C GLY 15 11.622 9.145 13.155 1.00 32.45 1NCG 256 ATOM 116 O GLY 15 11.266 8.644 12.075 1.00 32.33 1NCG 257 ATOM 117 N PRO 16 12.640 8.614 13.876 1.00 31.53 1 1NCG 258 ATOM 118 CA PRO 16 13.149 8.978 15.205 1.00 30.70 1 1NCG 259 ATOM 119 C PRO 16 13.409 10.466 15.401 1.00 29.31 1 1NCG 260 ATOM 120 O PRO 16 13.561 11.193 14.433 1.00 29.87 1 1NCG 261 ATOM 121 CB PRO 16 14.425 8.138 15.329 1.00 30.54 1 1NCG 262 ATOM 122 CG PRO 16 14.794 7.790 13.917 1.00 32.01 1 1NCG 263 ATOM 123 CD PRO 16 13.433 7.502 13.327 1.00 31.46 1 1NCG 264 ATOM 124 N PHE 17 13.421 10.928 16.655 1.00 27.94 1NCG 265 ATOM 125 CA PHE 17 13.648 12.345 16.975 1.00 25.78 1NCG 266 ATOM 126 C PHE 17 14.869 12.527 17.864 1.00 25.85 1NCG 267 ATOM 127 O PHE 17 15.067 11.761 18.779 1.00 26.71 1NCG 268 ATOM 128 CB PHE 17 12.407 12.943 17.661 1.00 24.43 1NCG 269 ATOM 129 CG PHE 17 11.180 12.934 16.803 1.00 22.57 1NCG 270 ATOM 130 CD1 PHE 17 11.053 13.820 15.740 1.00 21.99 1NCG 271 ATOM 131 CD2 PHE 17 10.172 12.025 17.028 1.00 21.29 1NCG 272 ATOM 132 CE1 PHE 17 9.956 13.790 14.929 1.00 21.58 1NCG 273 ATOM 133 CE2 PHE 17 9.069 11.997 16.213 1.00 22.16 1NCG 274 ATOM 134 CZ PHE 17 8.956 12.885 15.158 1.00 22.23 1NCG 275 ATOM 135 N PRO 18 15.675 13.574 17.647 1.00 25.52 2 1NCG 276 ATOM 136 CA PRO 18 15.582 14.651 16.647 1.00 24.84 2 1NCG 277 ATOM 137 C PRO 18 15.548 14.135 15.222 1.00 24.77 2 1NCG 278 ATOM 138 O PRO 18 16.227 13.172 14.903 1.00 23.73 2 1NCG 279 ATOM 139 CB PRO 18 16.874 15.435 16.856 1.00 24.83 2 1NCG 280 ATOM 140 CG PRO 18 17.322 15.070 18.217 1.00 24.83 2 1NCG 281 ATOM 141 CD PRO 18 16.969 13.631 18.343 1.00 25.09 2 1NCG 282 ATOM 142 N GLN 19 14.756 14.789 14.376 1.00 24.94 1NCG 283 ATOM 143 CA GLN 19 14.644 14.405 12.972 1.00 25.49 1NCG 284 ATOM 144 C GLN 19 15.182 15.513 12.082 1.00 25.87 1NCG 285 ATOM 145 O GLN 19 14.574 16.559 11.958 1.00 24.54 1NCG 286 ATOM 146 CB GLN 19 13.202 14.108 12.599 1.00 25.93 1NCG 287 ATOM 147 CG GLN 19 13.046 13.748 11.132 1.00 28.67 1NCG 288 ATOM 148 CD GLN 19 11.811 12.947 10.844 1.00 29.45 1NCG 289 ATOM 149 OE1 GLN 19 10.711 13.488 10.744 1.00 31.49 1NCG 290 ATOM 150 NE2 GLN 19 11.979 11.647 10.697 1.00 31.10 1NCG 291 ATOM 151 N GLU 20 16.328 15.236 11.470 1.00 26.99 1NCG 292 ATOM 152 CA GLU 20 17.040 16.120 10.558 1.00 28.66 1NCG 293 ATOM 153 C GLU 20 16.117 16.474 9.390 1.00 28.85 1NCG 294 ATOM 154 O GLU 20 15.584 15.587 8.718 1.00 29.27 1NCG 295 ATOM 155 CB GLU 20 18.263 15.355 10.076 1.00 31.14 1NCG 296 ATOM 156 CG GLU 20 19.313 16.130 9.364 1.00 35.05 1NCG 297 ATOM 157 CD GLU 20 20.488 15.242 9.022 1.00 37.82 1NCG 298 ATOM 158 OE1 GLU 20 21.268 14.917 9.953 1.00 39.97 1NCG 299 ATOM 159 OE2 GLU 20 20.612 14.838 7.840 1.00 39.48 1NCG 300 ATOM 160 N LEU 21 15.916 17.769 9.169 1.00 29.15 1NCG 301 ATOM 161 CA LEU 21 15.029 18.277 8.122 1.00 28.71 1NCG 302 ATOM 162 C LEU 21 15.784 18.770 6.912 1.00 29.01 1NCG 303 ATOM 163 O LEU 21 15.719 18.170 5.825 1.00 29.65 1NCG 304 ATOM 164 CB LEU 21 14.183 19.423 8.684 1.00 27.49 1NCG 305 ATOM 165 CG LEU 21 13.351 19.072 9.924 1.00 27.32 1NCG 306 ATOM 166 CD1 LEU 21 12.381 20.205 10.235 1.00 26.10 1NCG 307 ATOM 167 CD2 LEU 21 12.588 17.759 9.674 1.00 26.99 1NCG 308 ATOM 168 N VAL 22 16.554 19.828 7.112 1.00 29.46 1NCG 309 ATOM 169 CA VAL 22 17.315 20.442 6.035 1.00 29.78 1NCG 310 ATOM 170 C VAL 22 18.500 21.254 6.559 1.00 30.26 1NCG 311 ATOM 171 O VAL 22 18.463 21.800 7.677 1.00 29.43 1NCG 312 ATOM 172 CB VAL 22 16.403 21.354 5.166 1.00 30.03 1NCG 313 ATOM 173 CG1 VAL 22 15.925 22.557 5.961 1.00 29.87 1NCG 314 ATOM 174 CG2 VAL 22 17.161 21.835 3.957 1.00 30.83 1NCG 315 ATOM 175 N ARG 23 19.586 21.253 5.796 1.00 29.74 1NCG 316 ATOM 176 CA ARG 23 20.750 22.010 6.185 1.00 30.65 1NCG 317 ATOM 177 C ARG 23 20.545 23.454 5.769 1.00 31.60 1NCG 318 ATOM 178 O ARG 23 20.134 23.723 4.642 1.00 32.15 1NCG 319 ATOM 179 CB ARG 23 22.006 21.463 5.527 1.00 30.66 1NCG 320 ATOM 180 CG ARG 23 23.252 22.143 6.027 1.00 32.04 1NCG 321 ATOM 181 CD ARG 23 24.467 21.550 5.431 1.00 34.44 1NCG 322 ATOM 182 NE ARG 23 25.606 21.789 6.300 1.00 38.16 1NCG 323 ATOM 183 CZ ARG 23 26.840 22.057 5.882 1.00 39.62 1NCG 324 ATOM 184 NH1 ARG 23 27.120 22.126 4.580 1.00 40.91 1NCG 325 ATOM 185 NH2 ARG 23 27.796 22.268 6.780 1.00 40.89 1NCG 326 ATOM 186 N ILE 24 20.747 24.379 6.702 1.00 32.48 1NCG 327 ATOM 187 CA ILE 24 20.602 25.800 6.432 1.00 32.84 1NCG 328 ATOM 188 C ILE 24 21.949 26.448 6.706 1.00 34.10 1NCG 329 ATOM 189 O ILE 24 22.234 26.866 7.826 1.00 34.84 1NCG 330 ATOM 190 CB ILE 24 19.542 26.466 7.341 1.00 32.46 1NCG 331 ATOM 191 CG1 ILE 24 18.125 26.080 6.921 1.00 32.58 1NCG 332 ATOM 192 CG2 ILE 24 19.647 27.968 7.256 1.00 32.51 1NCG 333 ATOM 193 CD1 ILE 24 17.527 24.943 7.697 1.00 33.11 1NCG 334 ATOM 194 N ARG 25 22.754 26.613 5.673 1.00 35.11 1NCG 335 ATOM 195 CA ARG 25 24.066 27.202 5.865 1.00 36.88 1NCG 336 ATOM 196 C ARG 25 24.373 28.391 4.962 1.00 37.25 1NCG 337 ATOM 197 O ARG 25 23.657 28.684 4.009 1.00 36.16 1NCG 338 ATOM 198 CB ARG 25 25.152 26.136 5.690 1.00 38.97 1NCG 339 ATOM 199 CG ARG 25 25.291 25.663 4.253 1.00 40.78 1NCG 340 ATOM 200 CD ARG 25 26.662 25.093 4.008 1.00 43.75 1NCG 341 ATOM 201 NE ARG 25 27.014 25.277 2.607 1.00 47.50 1NCG 342 ATOM 202 CZ ARG 25 28.075 25.961 2.178 1.00 48.70 1NCG 343 ATOM 203 NH1 ARG 25 28.916 26.515 3.044 1.00 49.56 1NCG 344 ATOM 204 NH2 ARG 25 28.242 26.162 0.873 1.00 50.11 1NCG 345 ATOM 205 N SER 26 25.436 29.097 5.308 1.00 38.59 1NCG 346 ATOM 206 CA SER 26 25.887 30.250 4.550 1.00 41.00 1NCG 347 ATOM 207 C SER 26 27.125 29.756 3.828 1.00 42.45 1NCG 348 ATOM 208 O SER 26 28.067 29.280 4.460 1.00 42.82 1NCG 349 ATOM 209 CB SER 26 26.247 31.394 5.499 1.00 41.26 1NCG 350 ATOM 210 OG SER 26 26.732 32.535 4.798 1.00 41.37 1NCG 351 ATOM 211 N GLY 27 27.119 29.855 2.508 1.00 44.44 1NCG 352 ATOM 212 CA GLY 27 28.249 29.394 1.729 1.00 46.92 1NCG 353 ATOM 213 C GLY 27 29.594 29.806 2.294 1.00 48.76 1NCG 354 ATOM 214 O GLY 27 30.574 29.046 2.203 1.00 49.16 1NCG 355 ATOM 215 N ARG 28 29.638 30.996 2.896 1.00 49.94 1NCG 356 ATOM 216 CA ARG 28 30.871 31.527 3.476 1.00 50.67 1NCG 357 ATOM 217 C ARG 28 31.424 30.800 4.722 1.00 50.93 1NCG 358 ATOM 218 O ARG 28 32.578 31.018 5.094 1.00 51.04 1NCG 359 ATOM 219 CB ARG 28 30.711 33.017 3.776 1.00 50.59 1NCG 360 ATOM 220 CG ARG 28 29.751 33.317 4.890 1.00 50.89 1NCG 361 ATOM 221 CD ARG 28 29.732 34.795 5.195 1.00 51.38 1NCG 362 ATOM 222 NE ARG 28 29.152 35.557 4.100 1.00 51.88 1NCG 363 ATOM 223 CZ ARG 28 29.301 36.868 3.939 1.00 52.17 1NCG 364 ATOM 224 NH1 ARG 28 30.020 37.575 4.801 1.00 51.91 1NCG 365 ATOM 225 NH2 ARG 28 28.719 37.468 2.908 1.00 53.06 1NCG 366 ATOM 226 N ASP 29 30.639 29.918 5.337 1.00 51.05 1NCG 367 ATOM 227 CA ASP 29 31.117 29.216 6.527 1.00 51.49 1NCG 368 ATOM 228 C ASP 29 32.297 28.301 6.234 1.00 51.99 1NCG 369 ATOM 229 O ASP 29 33.027 27.908 7.151 1.00 52.03 1NCG 370 ATOM 230 CB ASP 29 29.985 28.435 7.227 1.00 51.59 1NCG 371 ATOM 231 CG ASP 29 29.530 27.178 6.464 1.00 51.28 1NCG 372 ATOM 232 OD1 ASP 29 29.945 26.935 5.308 1.00 50.40 1NCG 373 ATOM 233 OD2 ASP 29 28.726 26.418 7.050 1.00 50.83 1NCG 374 ATOM 234 N LYS 30 32.486 27.982 4.951 1.00 52.48 1NCG 375 ATOM 235 CA LYS 30 33.568 27.097 4.518 1.00 52.75 1NCG 376 ATOM 236 C LYS 30 34.926 27.739 4.698 1.00 52.49 1NCG 377 ATOM 237 O LYS 30 35.909 27.057 5.003 1.00 52.67 1NCG 378 ATOM 238 CB LYS 30 33.401 26.695 3.048 1.00 53.22 1NCG 379 ATOM 239 CG LYS 30 33.239 27.861 2.079 1.00 54.44 1NCG 380 ATOM 240 CD LYS 30 33.290 27.371 0.636 1.00 55.50 1NCG 381 ATOM 241 CE LYS 30 33.069 28.510 -0.347 1.00 56.08 1NCG 382 ATOM 242 NZ LYS 30 31.657 29.003 -0.333 1.00 56.53 1NCG 383 ATOM 243 N ASN 31 34.967 29.057 4.539 1.00 51.90 1NCG 384 ATOM 244 CA ASN 31 36.213 29.807 4.657 1.00 51.31 1NCG 385 ATOM 245 C ASN 31 36.069 30.885 5.727 1.00 50.67 1NCG 386 ATOM 246 O ASN 31 36.650 31.987 5.618 1.00 51.19 1NCG 387 ATOM 247 CB ASN 31 36.546 30.450 3.317 1.00 51.29 1NCG 388 ATOM 248 CG ASN 31 35.425 31.344 2.820 1.00 51.40 1NCG 389 ATOM 249 OD1 ASN 31 34.381 30.859 2.368 1.00 50.94 1NCG 390 ATOM 250 ND2 ASN 31 35.618 32.654 2.932 1.00 52.09 1NCG 391 ATOM 251 N LEU 32 35.284 30.564 6.750 1.00 49.05 1NCG 392 ATOM 252 CA LEU 32 35.031 31.473 7.857 1.00 47.27 1NCG 393 ATOM 253 C LEU 32 34.209 30.720 8.892 1.00 45.75 1NCG 394 ATOM 254 O LEU 32 33.076 30.330 8.626 1.00 46.09 1NCG 395 ATOM 255 CB LEU 32 34.250 32.690 7.374 1.00 47.62 1NCG 396 ATOM 256 CG LEU 32 33.763 33.698 8.420 1.00 48.09 1NCG 397 ATOM 257 CD1 LEU 32 34.938 34.363 9.133 1.00 48.63 1NCG 398 ATOM 258 CD2 LEU 32 32.899 34.752 7.735 1.00 48.72 1NCG 399 ATOM 259 N SER 33 34.807 30.467 10.051 1.00 43.85 1NCG 400 ATOM 260 CA SER 33 34.137 29.768 11.135 1.00 41.39 1NCG 401 ATOM 261 C SER 33 32.834 30.508 11.449 1.00 39.65 1NCG 402 ATOM 262 O SER 33 32.861 31.700 11.779 1.00 39.51 1NCG 403 ATOM 263 CB SER 33 35.061 29.767 12.355 1.00 42.05 1NCG 404 ATOM 264 OG SER 33 34.415 29.338 13.539 1.00 43.39 1NCG 405 ATOM 265 N LEU 34 31.704 29.833 11.239 1.00 37.14 1NCG 406 ATOM 266 CA LEU 34 30.396 30.421 11.518 1.00 34.92 1NCG 407 ATOM 267 C LEU 34 29.636 29.637 12.570 1.00 33.08 1NCG 408 ATOM 268 O LEU 34 29.908 28.459 12.824 1.00 32.69 1NCG 409 ATOM 269 CB LEU 34 29.536 30.536 10.241 1.00 34.39 1NCG 410 ATOM 270 CG LEU 34 30.039 31.574 9.226 1.00 35.32 1NCG 411 ATOM 271 CD1 LEU 34 28.951 31.905 8.221 1.00 34.50 1NCG 412 ATOM 272 CD2 LEU 34 30.463 32.857 9.956 1.00 34.90 1NCG 413 ATOM 273 N ARG 35 28.686 30.311 13.209 1.00 31.43 1NCG 414 ATOM 274 CA ARG 35 27.867 29.661 14.221 1.00 28.65 1NCG 415 ATOM 275 C ARG 35 26.436 29.903 13.836 1.00 26.37 1NCG 416 ATOM 276 O ARG 35 26.050 31.043 13.607 1.00 26.21 1NCG 417 ATOM 277 CB ARG 35 28.130 30.274 15.597 1.00 29.43 1NCG 418 ATOM 278 CG ARG 35 27.340 29.615 16.704 1.00 29.38 1NCG 419 ATOM 279 N TYR 36 25.641 28.847 13.801 1.00 25.09 1NCG 420 ATOM 280 CA TYR 36 24.235 28.967 13.432 1.00 24.01 1NCG 421 ATOM 281 C TYR 36 23.312 28.837 14.601 1.00 23.47 1NCG 422 ATOM 282 O TYR 36 23.557 28.025 15.490 1.00 22.65 1NCG 423 ATOM 283 CB TYR 36 23.845 27.905 12.401 1.00 25.39 1NCG 424 ATOM 284 CG TYR 36 24.634 28.032 11.137 1.00 25.45 1NCG 425 ATOM 285 CD1 TYR 36 24.388 29.065 10.252 1.00 25.86 1NCG 426 ATOM 286 CD2 TYR 36 25.639 27.144 10.840 1.00 25.84 1NCG 427 ATOM 287 CE1 TYR 36 25.120 29.209 9.114 1.00 26.41 1NCG 428 ATOM 288 CE2 TYR 36 26.375 27.279 9.691 1.00 27.60 1NCG 429 ATOM 289 CZ TYR 36 26.107 28.323 8.838 1.00 26.86 1NCG 430 ATOM 290 OH TYR 36 26.854 28.516 7.716 1.00 28.74 1NCG 431 ATOM 291 N SER 37 22.235 29.622 14.567 1.00 22.29 1NCG 432 ATOM 292 CA SER 37 21.179 29.614 15.571 1.00 21.11 1NCG 433 ATOM 293 C SER 37 19.864 29.843 14.837 1.00 20.04 1NCG 434 ATOM 294 O SER 37 19.883 30.205 13.656 1.00 19.30 1NCG 435 ATOM 295 CB SER 37 21.392 30.734 16.589 1.00 21.59 1NCG 436 ATOM 296 OG SER 37 21.770 31.913 15.930 1.00 21.67 1NCG 437 ATOM 297 N VAL 38 18.750 29.514 15.490 1.00 18.35 1NCG 438 ATOM 298 CA VAL 38 17.398 29.723 14.961 1.00 18.51 1NCG 439 ATOM 299 C VAL 38 16.609 30.394 16.055 1.00 19.21 1NCG 440 ATOM 300 O VAL 38 16.768 30.089 17.279 1.00 18.23 1NCG 441 ATOM 301 CB VAL 38 16.585 28.429 14.590 1.00 19.52 1NCG 442 ATOM 302 CG1 VAL 38 16.857 28.003 13.160 1.00 18.80 1NCG 443 ATOM 303 CG2 VAL 38 16.814 27.295 15.619 1.00 16.68 1NCG 444 ATOM 304 N THR 39 15.699 31.255 15.621 1.00 18.20 1NCG 445 ATOM 305 CA THR 39 14.904 32.011 16.537 1.00 16.52 1NCG 446 ATOM 306 C THR 39 13.488 31.997 16.008 1.00 16.83 1NCG 447 ATOM 307 O THR 39 13.263 31.667 14.811 1.00 16.65 1NCG 448 ATOM 308 CB THR 39 15.399 33.436 16.584 1.00 17.28 1NCG 449 ATOM 309 OG1 THR 39 15.323 34.029 15.270 1.00 18.36 1NCG 450 ATOM 310 CG2 THR 39 16.806 33.487 17.086 1.00 16.63 1NCG 451 ATOM 311 N GLY 40 12.554 32.300 16.902 1.00 14.90 1NCG 452 ATOM 312 CA GLY 40 11.158 32.380 16.557 1.00 15.35 1NCG 453 ATOM 313 C GLY 40 10.357 31.341 17.273 1.00 15.07 1NCG 454 ATOM 314 O GLY 40 10.910 30.464 17.943 1.00 16.28 1NCG 455 ATOM 315 N PRO 41 9.035 31.435 17.170 1.00 15.17 1NCG 456 ATOM 316 CA PRO 41 8.073 30.521 17.778 1.00 15.66 1NCG 457 ATOM 317 C PRO 41 8.324 29.138 17.198 1.00 16.96 1NCG 458 ATOM 318 O PRO 41 8.248 28.944 15.956 1.00 17.35 1NCG 459 ATOM 319 CB PRO 41 6.733 31.078 17.292 1.00 15.57 1NCG 460 ATOM 320 CG PRO 41 7.033 32.520 17.133 1.00 13.84 1NCG 461 ATOM 321 CD PRO 41 8.349 32.566 16.523 1.00 13.54 1NCG 462 ATOM 322 N GLY 42 8.578 28.171 18.080 1.00 15.68 1NCG 463 ATOM 323 CA GLY 42 8.874 26.823 17.660 1.00 14.61 1NCG 464 ATOM 324 C GLY 42 10.347 26.594 17.869 1.00 14.79 1NCG 465 ATOM 325 O GLY 42 10.839 25.464 17.816 1.00 15.15 1NCG 466 ATOM 326 N ALA 43 11.060 27.672 18.136 1.00 15.98 1NCG 467 ATOM 327 CA ALA 43 12.486 27.596 18.357 1.00 16.89 1NCG 468 ATOM 328 C ALA 43 12.865 28.143 19.758 1.00 17.69 1NCG 469 ATOM 329 O ALA 43 13.075 27.365 20.692 1.00 17.35 1NCG 470 ATOM 330 CB ALA 43 13.235 28.325 17.267 1.00 15.90 1NCG 471 ATOM 331 N ASP 44 12.891 29.458 19.912 1.00 17.57 1NCG 472 ATOM 332 CA ASP 44 13.231 30.079 21.205 1.00 18.24 1NCG 473 ATOM 333 C ASP 44 12.084 30.903 21.795 1.00 18.76 1NCG 474 ATOM 334 O ASP 44 12.296 31.711 22.708 1.00 18.43 1NCG 475 ATOM 335 CB ASP 44 14.510 30.937 21.092 1.00 16.53 1NCG 476 ATOM 336 CG ASP 44 14.318 32.226 20.305 1.00 16.57 1NCG 477 ATOM 337 OD1 ASP 44 13.290 32.422 19.625 1.00 18.42 1NCG 478 ATOM 338 OD2 ASP 44 15.234 33.097 20.374 1.00 14.47 1NCG 479 ATOM 339 N GLN 45 10.887 30.707 21.252 1.00 19.06 1NCG 480 ATOM 340 CA GLN 45 9.670 31.407 21.673 1.00 18.95 1NCG 481 ATOM 341 C GLN 45 8.584 30.353 21.620 1.00 18.31 1NCG 482 ATOM 342 O GLN 45 8.696 29.429 20.848 1.00 18.31 1NCG 483 ATOM 343 CB GLN 45 9.371 32.559 20.715 1.00 19.45 1NCG 484 ATOM 344 CG GLN 45 10.428 33.640 20.765 1.00 22.53 1NCG 485 ATOM 345 CD GLN 45 10.362 34.586 19.593 1.00 25.35 1NCG 486 ATOM 346 OE1 GLN 45 9.320 35.167 19.319 1.00 26.32 1NCG 487 ATOM 347 NE2 GLN 45 11.491 34.753 18.888 1.00 26.19 1NCG 488 ATOM 348 N PRO 46 7.545 30.455 22.463 1.00 18.21 1NCG 489 ATOM 349 CA PRO 46 6.477 29.455 22.455 1.00 18.37 1NCG 490 ATOM 350 C PRO 46 5.858 29.205 21.075 1.00 18.35 1NCG 491 ATOM 351 O PRO 46 5.592 30.154 20.341 1.00 17.95 1NCG 492 ATOM 352 CB PRO 46 5.439 30.056 23.402 1.00 19.28 1NCG 493 ATOM 353 CG PRO 46 6.256 30.798 24.376 1.00 18.92 1NCG 494 ATOM 354 CD PRO 46 7.238 31.509 23.457 1.00 18.25 1NCG 495 ATOM 355 N PRO 47 5.737 27.933 20.679 1.00 18.50 3 1NCG 496 ATOM 356 CA PRO 47 6.170 26.776 21.483 1.00 17.66 3 1NCG 497 ATOM 357 C PRO 47 7.675 26.578 21.312 1.00 18.38 3 1NCG 498 ATOM 358 O PRO 47 8.237 26.525 20.216 1.00 17.29 3 1NCG 499 ATOM 359 CB PRO 47 5.350 25.643 20.913 1.00 19.34 3 1NCG 500 ATOM 360 CG PRO 47 5.136 26.081 19.436 1.00 18.52 3 1NCG 501 ATOM 361 CD PRO 47 4.852 27.523 19.561 1.00 19.13 3 1NCG 502 ATOM 362 N THR 48 8.330 26.391 22.436 1.00 17.62 1NCG 503 ATOM 363 CA THR 48 9.757 26.309 22.490 1.00 16.24 1NCG 504 ATOM 364 C THR 48 10.409 24.942 22.155 1.00 16.47 1NCG 505 ATOM 365 O THR 48 9.852 23.885 22.416 1.00 18.23 1NCG 506 ATOM 366 CB THR 48 10.074 26.846 23.923 1.00 17.56 1NCG 507 ATOM 367 OG1 THR 48 10.781 28.084 23.867 1.00 19.63 1NCG 508 ATOM 368 CG2 THR 48 10.646 25.867 24.763 1.00 12.35 1NCG 509 ATOM 369 N GLY 49 11.549 24.964 21.487 1.00 15.32 1NCG 510 ATOM 370 CA GLY 49 12.243 23.715 21.223 1.00 16.54 1NCG 511 ATOM 371 C GLY 49 11.678 22.708 20.239 1.00 17.68 1NCG 512 ATOM 372 O GLY 49 12.013 21.518 20.299 1.00 17.18 1NCG 513 ATOM 373 N ILE 50 10.756 23.127 19.380 1.00 18.29 1NCG 514 ATOM 374 CA ILE 50 10.253 22.174 18.403 1.00 18.81 1NCG 515 ATOM 375 C ILE 50 11.234 22.032 17.198 1.00 18.33 1NCG 516 ATOM 376 O ILE 50 11.385 20.961 16.631 1.00 19.48 1NCG 517 ATOM 377 CB ILE 50 8.695 22.336 18.151 1.00 19.90 1NCG 518 ATOM 378 CG1 ILE 50 8.241 21.684 16.862 1.00 19.95 1NCG 519 ATOM 379 CG2 ILE 50 8.209 23.663 18.414 1.00 21.27 1NCG 520 ATOM 380 CD1 ILE 50 7.858 20.223 17.156 1.00 21.26 1NCG 521 ATOM 381 N PHE 51 12.076 23.042 17.008 1.00 18.17 1NCG 522 ATOM 382 CA PHE 51 13.096 23.040 15.963 1.00 17.55 1NCG 523 ATOM 383 C PHE 51 14.413 23.487 16.598 1.00 17.45 1NCG 524 ATOM 384 O PHE 51 14.441 24.418 17.386 1.00 18.59 1NCG 525 ATOM 385 CB PHE 51 12.721 24.004 14.828 1.00 17.31 1NCG 526 ATOM 386 CG PHE 51 11.496 23.588 14.070 1.00 16.02 1NCG 527 ATOM 387 CD1 PHE 51 11.590 22.689 13.029 1.00 16.31 1NCG 528 ATOM 388 CD2 PHE 51 10.245 24.019 14.458 1.00 17.67 1NCG 529 ATOM 389 CE1 PHE 51 10.448 22.221 12.408 1.00 16.12 1NCG 530 ATOM 390 CE2 PHE 51 9.097 23.553 13.832 1.00 17.94 1NCG 531 ATOM 391 CZ PHE 51 9.207 22.649 12.807 1.00 17.20 1NCG 532 ATOM 392 N ILE 52 15.484 22.777 16.289 1.00 17.47 1NCG 533 ATOM 393 CA ILE 52 16.815 23.105 16.756 1.00 17.35 1NCG 534 ATOM 394 C ILE 52 17.701 23.166 15.520 1.00 18.25 1NCG 535 ATOM 395 O ILE 52 17.343 22.632 14.468 1.00 19.49 1NCG 536 ATOM 396 CB ILE 52 17.379 22.016 17.690 1.00 18.28 1NCG 537 ATOM 397 CG1 ILE 52 17.237 20.635 17.010 1.00 19.30 1NCG 538 ATOM 398 CG2 ILE 52 16.657 22.047 19.078 1.00 16.58 1NCG 539 ATOM 399 CD1 ILE 52 18.120 19.541 17.637 1.00 20.07 1NCG 540 ATOM 400 N ILE 53 18.810 23.870 15.625 1.00 17.76 1NCG 541 ATOM 401 CA ILE 53 19.763 23.948 14.548 1.00 19.25 1NCG 542 ATOM 402 C ILE 53 21.115 23.653 15.182 1.00 21.34 1NCG 543 ATOM 403 O ILE 53 21.436 24.162 16.290 1.00 20.60 1NCG 544 ATOM 404 CB ILE 53 19.785 25.335 13.851 1.00 19.22 1NCG 545 ATOM 405 CG1 ILE 53 20.558 25.254 12.536 1.00 20.51 1NCG 546 ATOM 406 CG2 ILE 53 20.459 26.385 14.715 1.00 19.40 1NCG 547 ATOM 407 CD1 ILE 53 20.276 26.406 11.615 1.00 19.93 1NCG 548 ATOM 408 N ASN 54 21.816 22.701 14.569 1.00 21.95 1NCG 549 ATOM 409 CA ASN 54 23.145 22.338 15.030 1.00 23.66 1NCG 550 ATOM 410 C ASN 54 23.977 23.569 14.719 1.00 24.01 1NCG 551 ATOM 411 O ASN 54 23.944 24.087 13.589 1.00 23.90 1NCG 552 ATOM 412 CB ASN 54 23.693 21.087 14.308 1.00 23.72 1NCG 553 ATOM 413 CG ASN 54 24.958 20.544 14.962 1.00 22.99 1NCG 554 ATOM 414 OD1 ASN 54 25.985 21.200 14.974 1.00 25.20 1NCG 555 ATOM 415 ND2 ASN 54 24.868 19.358 15.540 1.00 21.21 1NCG 556 ATOM 416 N PRO 55 24.685 24.087 15.737 1.00 24.94 1NCG 557 ATOM 417 CA PRO 55 25.543 25.275 15.652 1.00 25.18 1NCG 558 ATOM 418 C PRO 55 26.616 25.297 14.580 1.00 25.76 1NCG 559 ATOM 419 O PRO 55 26.910 26.378 14.053 1.00 25.60 1NCG 560 ATOM 420 CB PRO 55 26.181 25.338 17.038 1.00 24.90 1NCG 561 ATOM 421 CG PRO 55 25.171 24.751 17.906 1.00 24.53 1NCG 562 ATOM 422 CD PRO 55 24.690 23.564 17.112 1.00 24.41 1NCG 563 ATOM 423 N ILE 56 27.254 24.162 14.273 1.00 27.63 1NCG 564 ATOM 424 CA ILE 56 28.320 24.208 13.248 1.00 28.77 1NCG 565 ATOM 425 C ILE 56 27.917 23.747 11.856 1.00 28.95 1NCG 566 ATOM 426 O ILE 56 28.400 24.288 10.860 1.00 29.63 1NCG 567 ATOM 427 CB ILE 56 29.668 23.469 13.668 1.00 30.39 1NCG 568 ATOM 428 CG1 ILE 56 29.716 22.049 13.101 1.00 30.10 1NCG 569 ATOM 429 CG2 ILE 56 29.832 23.432 15.202 1.00 29.46 1NCG 570 ATOM 430 CD1 ILE 56 28.785 21.051 13.824 1.00 32.82 1NCG 571 ATOM 431 N SER 57 27.018 22.777 11.784 1.00 28.72 1NCG 572 ATOM 432 CA SER 57 26.579 22.253 10.496 1.00 28.32 1NCG 573 ATOM 433 C SER 57 25.436 23.065 9.880 1.00 28.06 1NCG 574 ATOM 434 O SER 57 25.333 23.162 8.644 1.00 28.53 1NCG 575 ATOM 435 CB SER 57 26.118 20.806 10.664 1.00 28.85 1NCG 576 ATOM 436 OG SER 57 25.040 20.719 11.595 1.00 29.66 1NCG 577 ATOM 437 N GLY 58 24.582 23.640 10.733 1.00 26.79 1NCG 578 ATOM 438 CA GLY 58 23.439 24.384 10.226 1.00 25.10 1NCG 579 ATOM 439 C GLY 58 22.331 23.389 9.934 1.00 24.46 1NCG 580 ATOM 440 O GLY 58 21.296 23.718 9.361 1.00 24.98 1NCG 581 ATOM 441 N GLN 59 22.517 22.167 10.402 1.00 24.00 1NCG 582 ATOM 442 CA GLN 59 21.540 21.124 10.201 1.00 23.23 1NCG 583 ATOM 443 C GLN 59 20.356 21.422 11.118 1.00 23.49 1NCG 584 ATOM 444 O GLN 59 20.518 21.470 12.335 1.00 21.93 1NCG 585 ATOM 445 CB GLN 59 22.179 19.784 10.553 1.00 26.40 1NCG 586 ATOM 446 CG GLN 59 21.467 18.542 10.019 1.00 28.70 1NCG 587 ATOM 447 CD GLN 59 21.543 18.423 8.485 1.00 29.99 1NCG 588 ATOM 448 OE1 GLN 59 20.985 19.225 7.764 1.00 28.60 1NCG 589 ATOM 449 NE2 GLN 59 22.224 17.392 8.003 1.00 33.13 1NCG 590 ATOM 450 N LEU 60 19.189 21.683 10.530 1.00 22.03 1NCG 591 ATOM 451 CA LEU 60 17.973 21.968 11.279 1.00 21.42 1NCG 592 ATOM 452 C LEU 60 17.192 20.667 11.441 1.00 20.35 1NCG 593 ATOM 453 O LEU 60 16.980 19.938 10.450 1.00 20.13 1NCG 594 ATOM 454 CB LEU 60 17.077 22.950 10.520 1.00 21.37 1NCG 595 ATOM 455 CG LEU 60 15.745 23.293 11.221 1.00 22.34 1NCG 596 ATOM 456 CD1 LEU 60 16.030 24.409 12.207 1.00 21.67 1NCG 597 ATOM 457 CD2 LEU 60 14.627 23.746 10.248 1.00 21.64 1NCG 598 ATOM 458 N SER 61 16.701 20.440 12.664 1.00 18.24 1NCG 599 ATOM 459 CA SER 61 15.922 19.243 13.022 1.00 16.64 1NCG 600 ATOM 460 C SER 61 14.632 19.617 13.760 1.00 15.86 1NCG 601 ATOM 461 O SER 61 14.521 20.709 14.329 1.00 16.33 1NCG 602 ATOM 462 CB SER 61 16.719 18.340 13.958 1.00 15.88 1NCG 603 ATOM 463 OG SER 61 18.009 18.087 13.451 1.00 15.30 1NCG 604 ATOM 464 N VAL 62 13.672 18.712 13.743 1.00 15.79 1NCG 605 ATOM 465 CA VAL 62 12.401 18.876 14.430 1.00 16.30 1NCG 606 ATOM 466 C VAL 62 12.531 17.892 15.598 1.00 17.39 1NCG 607 ATOM 467 O VAL 62 13.099 16.803 15.418 1.00 16.13 1NCG 608 ATOM 468 CB VAL 62 11.206 18.573 13.524 1.00 17.13 1NCG 609 ATOM 469 CG1 VAL 62 11.280 17.128 12.939 1.00 18.43 1NCG 610 ATOM 470 CG2 VAL 62 9.894 18.822 14.318 1.00 16.67 1NCG 611 ATOM 471 N THR 63 12.023 18.256 16.783 1.00 18.41 1NCG 612 ATOM 472 CA THR 63 12.255 17.420 17.992 1.00 18.56 1NCG 613 ATOM 473 C THR 63 11.164 16.434 18.408 1.00 19.81 1NCG 614 ATOM 474 O THR 63 11.408 15.502 19.213 1.00 20.43 1NCG 615 ATOM 475 CB THR 63 12.571 18.290 19.162 1.00 17.46 1NCG 616 ATOM 476 OG1 THR 63 11.426 19.119 19.465 1.00 15.93 1NCG 617 ATOM 477 CG2 THR 63 13.796 19.178 18.832 1.00 17.63 1NCG 618 ATOM 478 N LYS 64 10.000 16.571 17.792 1.00 19.18 1NCG 619 ATOM 479 CA LYS 64 8.885 15.699 18.079 1.00 19.33 1NCG 620 ATOM 480 C LYS 64 7.925 15.817 16.902 1.00 20.25 1NCG 621 ATOM 481 O LYS 64 8.153 16.631 15.997 1.00 20.57 1NCG 622 ATOM 482 CB LYS 64 8.192 16.164 19.340 1.00 19.28 1NCG 623 ATOM 483 CG LYS 64 7.546 17.498 19.220 1.00 19.49 1NCG 624 ATOM 484 CD LYS 64 6.328 17.559 20.116 1.00 21.15 1NCG 625 ATOM 485 CE LYS 64 5.838 18.944 20.157 1.00 22.78 1NCG 626 ATOM 486 NZ LYS 64 6.990 19.746 20.632 1.00 25.78 1NCG 627 ATOM 487 N PRO 65 6.868 14.999 16.897 1.00 21.45 1NCG 628 ATOM 488 CA PRO 65 5.879 15.031 15.814 1.00 21.64 1NCG 629 ATOM 489 C PRO 65 5.006 16.262 15.869 1.00 22.36 1NCG 630 ATOM 490 O PRO 65 4.693 16.799 16.953 1.00 23.12 1NCG 631 ATOM 491 CB PRO 65 5.093 13.738 16.017 1.00 22.17 1NCG 632 ATOM 492 CG PRO 65 5.186 13.499 17.497 1.00 22.73 1NCG 633 ATOM 493 CD PRO 65 6.609 13.870 17.819 1.00 21.46 1NCG 634 ATOM 494 N LEU 66 4.601 16.716 14.688 1.00 21.15 1NCG 635 ATOM 495 CA LEU 66 3.791 17.902 14.561 1.00 20.29 1NCG 636 ATOM 496 C LEU 66 2.299 17.598 14.463 1.00 19.86 1NCG 637 ATOM 497 O LEU 66 1.896 16.455 14.317 1.00 19.28 1NCG 638 ATOM 498 CB LEU 66 4.265 18.685 13.345 1.00 18.78 1NCG 639 ATOM 499 CG LEU 66 5.747 19.015 13.501 1.00 18.93 1NCG 640 ATOM 500 CD1 LEU 66 6.300 19.612 12.231 1.00 15.85 1NCG 641 ATOM 501 CD2 LEU 66 5.911 20.016 14.683 1.00 18.29 1NCG 642 ATOM 502 N ASP 67 1.468 18.629 14.511 1.00 19.58 1NCG 643 ATOM 503 CA ASP 67 0.026 18.399 14.478 1.00 19.54 1NCG 644 ATOM 504 C ASP 67 -0.490 19.573 13.688 1.00 19.49 1NCG 645 ATOM 505 O ASP 67 -0.503 20.678 14.219 1.00 17.59 1NCG 646 ATOM 506 CB ASP 67 -0.476 18.538 15.903 1.00 20.04 1NCG 647 ATOM 507 CG ASP 67 -1.878 18.066 16.077 1.00 20.98 1NCG 648 ATOM 508 OD1 ASP 67 -2.764 18.280 15.222 1.00 21.38 1NCG 649 ATOM 509 OD2 ASP 67 -2.115 17.511 17.154 1.00 23.03 1NCG 650 ATOM 510 N ARG 68 -0.953 19.362 12.451 1.00 19.69 1NCG 651 ATOM 511 CA ARG 68 -1.378 20.531 11.669 1.00 19.87 1NCG 652 ATOM 512 C ARG 68 -2.598 21.187 12.251 1.00 19.15 1NCG 653 ATOM 513 O ARG 68 -2.718 22.407 12.195 1.00 20.18 1NCG 654 ATOM 514 CB ARG 68 -1.532 20.239 10.152 1.00 20.62 1NCG 655 ATOM 515 CG ARG 68 -2.534 19.221 9.778 1.00 24.34 1NCG 656 ATOM 516 CD ARG 68 -2.564 19.024 8.233 1.00 26.02 1NCG 657 ATOM 517 NE ARG 68 -2.234 20.257 7.538 1.00 27.05 1NCG 658 ATOM 518 CZ ARG 68 -3.098 21.210 7.232 1.00 28.24 1NCG 659 ATOM 519 NH1 ARG 68 -4.377 21.066 7.545 1.00 29.70 1NCG 660 ATOM 520 NH2 ARG 68 -2.657 22.357 6.695 1.00 28.98 1NCG 661 ATOM 521 N GLU 69 -3.389 20.401 12.972 1.00 17.82 1NCG 662 ATOM 522 CA GLU 69 -4.614 20.895 13.589 1.00 18.10 1NCG 663 ATOM 523 C GLU 69 -4.284 21.808 14.812 1.00 17.55 1NCG 664 ATOM 524 O GLU 69 -5.167 22.479 15.334 1.00 18.56 1NCG 665 ATOM 525 CB GLU 69 -5.523 19.704 14.004 1.00 20.38 1NCG 666 ATOM 526 CG GLU 69 -6.179 18.806 12.887 1.00 21.52 1NCG 667 ATOM 527 CD GLU 69 -5.250 17.758 12.290 1.00 23.34 1NCG 668 ATOM 528 OE1 GLU 69 -4.140 18.144 11.985 1.00 26.31 1NCG 669 ATOM 529 OE2 GLU 69 -5.558 16.525 12.045 1.00 21.91 1NCG 670 ATOM 530 N LEU 70 -3.026 21.802 15.286 1.00 16.77 1NCG 671 ATOM 531 CA LEU 70 -2.654 22.656 16.430 1.00 15.36 1NCG 672 ATOM 532 C LEU 70 -1.850 23.818 15.944 1.00 13.65 1NCG 673 ATOM 533 O LEU 70 -2.178 24.931 16.222 1.00 12.82 1NCG 674 ATOM 534 CB LEU 70 -1.908 21.916 17.556 1.00 14.96 1NCG 675 ATOM 535 CG LEU 70 -2.807 20.951 18.338 1.00 15.58 1NCG 676 ATOM 536 CD1 LEU 70 -2.009 20.081 19.252 1.00 14.91 1NCG 677 ATOM 537 CD2 LEU 70 -3.818 21.708 19.125 1.00 14.24 1NCG 678 ATOM 538 N ILE 71 -0.791 23.565 15.203 1.00 13.70 1NCG 679 ATOM 539 CA ILE 71 0.016 24.668 14.653 1.00 14.52 1NCG 680 ATOM 540 C ILE 71 0.281 24.256 13.208 1.00 15.83 1NCG 681 ATOM 541 O ILE 71 0.928 23.224 12.958 1.00 15.30 1NCG 682 ATOM 542 CB ILE 71 1.376 24.848 15.412 1.00 15.22 1NCG 683 ATOM 543 CG1 ILE 71 1.131 25.275 16.867 1.00 15.26 1NCG 684 ATOM 544 CG2 ILE 71 2.182 25.961 14.807 1.00 11.60 1NCG 685 ATOM 545 CD1 ILE 71 2.293 24.980 17.782 1.00 15.01 1NCG 686 ATOM 546 N ALA 72 -0.230 25.051 12.279 1.00 17.10 1NCG 687 ATOM 547 CA ALA 72 -0.087 24.744 10.844 1.00 17.72 1NCG 688 ATOM 548 C ALA 72 1.104 25.349 10.152 1.00 17.77 1NCG 689 ATOM 549 O ALA 72 1.481 24.881 9.078 1.00 19.41 1NCG 690 ATOM 550 CB ALA 72 -1.353 25.154 10.091 1.00 17.58 1NCG 691 ATOM 551 N ARG 73 1.707 26.373 10.742 1.00 17.10 1NCG 692 ATOM 552 CA ARG 73 2.840 27.045 10.116 1.00 17.72 1NCG 693 ATOM 553 C ARG 73 3.777 27.541 11.204 1.00 17.55 1NCG 694 ATOM 554 O ARG 73 3.309 27.986 12.257 1.00 16.84 1NCG 695 ATOM 555 CB ARG 73 2.277 28.286 9.393 1.00 19.18 1NCG 696 ATOM 556 CG ARG 73 3.125 28.962 8.304 1.00 23.43 1NCG 697 ATOM 557 CD ARG 73 2.350 28.901 6.932 1.00 24.23 1NCG 698 ATOM 558 NE ARG 73 0.889 28.803 7.151 1.00 26.95 1NCG 699 ATOM 559 CZ ARG 73 0.133 27.701 7.035 1.00 27.23 1NCG 700 ATOM 560 NH1 ARG 73 0.655 26.512 6.648 1.00 24.62 1NCG 701 ATOM 561 NH2 ARG 73 -1.115 27.761 7.512 1.00 25.52 1NCG 702 ATOM 562 N PHE 74 5.077 27.461 10.931 1.00 16.51 1NCG 703 ATOM 563 CA PHE 74 6.118 27.966 11.794 1.00 16.88 1NCG 704 ATOM 564 C PHE 74 6.916 28.934 10.932 1.00 17.73 1NCG 705 ATOM 565 O PHE 74 7.063 28.742 9.721 1.00 17.27 1NCG 706 ATOM 566 CB PHE 74 7.058 26.871 12.294 1.00 13.93 1NCG 707 ATOM 567 CG PHE 74 6.442 25.935 13.299 1.00 13.23 1NCG 708 ATOM 568 CD1 PHE 74 5.695 24.858 12.885 1.00 11.87 1NCG 709 ATOM 569 CD2 PHE 74 6.611 26.146 14.668 1.00 13.37 1NCG 710 ATOM 570 CE1 PHE 74 5.110 23.994 13.800 1.00 13.50 1NCG 711 ATOM 571 CE2 PHE 74 6.034 25.286 15.594 1.00 12.67 1NCG 712 ATOM 572 CZ PHE 74 5.291 24.220 15.171 1.00 14.06 1NCG 713 ATOM 573 N HIS 75 7.395 29.996 11.555 1.00 17.98 1NCG 714 ATOM 574 CA HIS 75 8.206 30.986 10.894 1.00 19.04 1NCG 715 ATOM 575 C HIS 75 9.362 31.203 11.873 1.00 19.02 1NCG 716 ATOM 576 O HIS 75 9.139 31.645 13.018 1.00 17.96 1NCG 717 ATOM 577 CB HIS 75 7.410 32.269 10.717 1.00 22.14 1NCG 718 ATOM 578 CG HIS 75 6.140 32.084 9.940 1.00 26.70 1NCG 719 ATOM 579 ND1 HIS 75 4.899 31.968 10.538 1.00 28.28 1NCG 720 ATOM 580 CD2 HIS 75 5.908 32.114 8.598 1.00 28.46 1NCG 721 ATOM 581 CE1 HIS 75 3.959 31.943 9.603 1.00 29.30 1NCG 722 ATOM 582 NE2 HIS 75 4.551 32.032 8.416 1.00 29.54 1NCG 723 ATOM 583 N LEU 76 10.550 30.774 11.442 1.00 18.31 1NCG 724 ATOM 584 CA LEU 76 11.797 30.879 12.201 1.00 17.95 1NCG 725 ATOM 585 C LEU 76 12.750 31.711 11.379 1.00 17.98 1NCG 726 ATOM 586 O LEU 76 12.468 32.021 10.235 1.00 17.82 1NCG 727 ATOM 587 CB LEU 76 12.410 29.496 12.356 1.00 17.51 1NCG 728 ATOM 588 CG LEU 76 11.460 28.342 12.755 1.00 18.61 1NCG 729 ATOM 589 CD1 LEU 76 12.253 27.064 12.863 1.00 18.49 1NCG 730 ATOM 590 CD2 LEU 76 10.689 28.613 14.050 1.00 18.13 1NCG 731 ATOM 591 N ARG 77 13.861 32.114 11.972 1.00 18.64 1NCG 732 ATOM 592 CA ARG 77 14.902 32.845 11.272 1.00 18.83 1NCG 733 ATOM 593 C ARG 77 16.180 32.165 11.700 1.00 18.65 1NCG 734 ATOM 594 O ARG 77 16.341 31.874 12.885 1.00 18.12 1NCG 735 ATOM 595 CB ARG 77 14.996 34.296 11.731 1.00 20.76 1NCG 736 ATOM 596 CG ARG 77 13.783 35.134 11.524 1.00 25.61 1NCG 737 ATOM 597 CD ARG 77 14.002 36.028 10.367 1.00 29.82 1NCG 738 ATOM 598 NE ARG 77 14.261 37.423 10.715 1.00 31.27 1NCG 739 ATOM 599 CZ ARG 77 14.725 38.307 9.834 1.00 32.73 1NCG 740 ATOM 600 NH1 ARG 77 14.966 37.913 8.579 1.00 33.49 1NCG 741 ATOM 601 NH2 ARG 77 14.946 39.577 10.197 1.00 33.02 1NCG 742 ATOM 602 N ALA 78 17.076 31.885 10.762 1.00 18.11 1NCG 743 ATOM 603 CA ALA 78 18.366 31.281 11.068 1.00 17.75 1NCG 744 ATOM 604 C ALA 78 19.314 32.478 11.050 1.00 18.43 1NCG 745 ATOM 605 O ALA 78 19.106 33.431 10.264 1.00 18.63 1NCG 746 ATOM 606 CB ALA 78 18.762 30.238 9.989 1.00 18.49 1NCG 747 ATOM 607 N HIS 79 20.402 32.378 11.815 1.00 17.37 1NCG 748 ATOM 608 CA HIS 79 21.377 33.449 11.981 1.00 16.26 1NCG 749 ATOM 609 C HIS 79 22.735 32.817 11.890 1.00 16.76 1NCG 750 ATOM 610 O HIS 79 22.872 31.640 12.163 1.00 16.87 1NCG 751 ATOM 611 CB HIS 79 21.247 34.083 13.373 1.00 13.92 1NCG 752 ATOM 612 CG HIS 79 19.921 34.707 13.645 1.00 11.21 1NCG 753 ATOM 613 ND1 HIS 79 18.796 33.975 13.976 1.00 11.10 1NCG 754 ATOM 614 CD2 HIS 79 19.542 36.004 13.667 1.00 10.35 1NCG 755 ATOM 615 CE1 HIS 79 17.790 34.796 14.197 1.00 10.02 1NCG 756 ATOM 616 NE2 HIS 79 18.218 36.034 14.007 1.00 8.71 1NCG 757 ATOM 617 N ALA 80 23.717 33.591 11.451 1.00 17.98 1NCG 758 ATOM 618 CA ALA 80 25.093 33.145 11.282 1.00 19.78 1NCG 759 ATOM 619 C ALA 80 25.967 34.231 11.860 1.00 21.03 1NCG 760 ATOM 620 O ALA 80 25.896 35.426 11.479 1.00 21.90 1NCG 761 ATOM 621 CB ALA 80 25.421 32.899 9.806 1.00 21.19 1NCG 762 ATOM 622 N VAL 81 26.817 33.787 12.765 1.00 21.63 1NCG 763 ATOM 623 CA VAL 81 27.664 34.664 13.518 1.00 22.82 1NCG 764 ATOM 624 C VAL 81 29.120 34.199 13.529 1.00 22.73 1NCG 765 ATOM 625 O VAL 81 29.385 33.005 13.432 1.00 23.26 1NCG 766 ATOM 626 CB VAL 81 27.003 34.730 14.931 1.00 23.72 1NCG 767 ATOM 627 CG1 VAL 81 27.928 34.357 16.014 1.00 23.71 1NCG 768 ATOM 628 CG2 VAL 81 26.311 36.030 15.118 1.00 24.42 1NCG 769 ATOM 629 N ASP 82 30.043 35.159 13.594 1.00 23.42 1NCG 770 ATOM 630 CA ASP 82 31.467 34.859 13.594 1.00 24.49 1NCG 771 ATOM 631 C ASP 82 31.995 34.510 14.994 1.00 24.94 1NCG 772 ATOM 632 O ASP 82 31.240 34.481 15.962 1.00 24.99 1NCG 773 ATOM 633 CB ASP 82 32.283 35.981 12.912 1.00 23.91 1NCG 774 ATOM 634 CG ASP 82 32.338 37.276 13.712 1.00 25.18 1NCG 775 ATOM 635 OD1 ASP 82 31.950 37.313 14.890 1.00 26.90 1NCG 776 ATOM 636 OD2 ASP 82 32.773 38.293 13.164 1.00 23.66 1NCG 777 ATOM 637 N ILE 83 33.303 34.301 15.093 1.00 25.23 1NCG 778 ATOM 638 CA ILE 83 33.973 33.904 16.341 1.00 24.91 1NCG 779 ATOM 639 C ILE 83 33.701 34.827 17.540 1.00 24.84 1NCG 780 ATOM 640 O ILE 83 33.792 34.396 18.688 1.00 25.36 1NCG 781 ATOM 641 CB ILE 83 35.498 33.780 16.112 1.00 25.06 1NCG 782 ATOM 642 CG1 ILE 83 36.105 32.766 17.064 1.00 24.44 1NCG 783 ATOM 643 CG2 ILE 83 36.164 35.144 16.239 1.00 23.71 1NCG 784 ATOM 644 CD1 ILE 83 37.611 32.584 16.836 1.00 24.98 1NCG 785 ATOM 645 N ASN 84 33.338 36.072 17.260 1.00 23.73 1NCG 786 ATOM 646 CA ASN 84 33.045 37.038 18.306 1.00 23.49 1NCG 787 ATOM 647 C ASN 84 31.570 37.341 18.456 1.00 22.71 1NCG 788 ATOM 648 O ASN 84 31.212 38.313 19.143 1.00 21.45 1NCG 789 ATOM 649 CB ASN 84 33.770 38.343 18.034 1.00 24.43 1NCG 790 ATOM 650 CG ASN 84 35.232 38.161 17.862 1.00 25.80 1NCG 791 ATOM 651 OD1 ASN 84 35.775 38.539 16.835 1.00 29.14 1NCG 792 ATOM 652 ND2 ASN 84 35.899 37.595 18.859 1.00 25.02 1NCG 793 ATOM 653 N GLY 85 30.724 36.558 17.781 1.00 21.62 1NCG 794 ATOM 654 CA GLY 85 29.288 36.752 17.871 1.00 21.92 1NCG 795 ATOM 655 C GLY 85 28.688 37.771 16.915 1.00 22.35 1NCG 796 ATOM 656 O GLY 85 27.501 38.056 16.983 1.00 21.62 1NCG 797 ATOM 657 N ASN 86 29.498 38.374 16.055 1.00 23.33 1NCG 798 ATOM 658 CA ASN 86 28.977 39.341 15.086 1.00 24.62 1NCG 799 ATOM 659 C ASN 86 28.169 38.590 14.022 1.00 25.64 1NCG 800 ATOM 660 O ASN 86 28.641 37.568 13.517 1.00 25.53 1NCG 801 ATOM 661 CB ASN 86 30.127 40.058 14.357 1.00 24.19 1NCG 802 ATOM 662 CG ASN 86 30.924 40.949 15.244 1.00 23.30 1NCG 803 ATOM 663 OD1 ASN 86 30.494 42.065 15.596 1.00 24.00 1NCG 804 ATOM 664 ND2 ASN 86 32.103 40.498 15.592 1.00 21.39 1NCG 805 ATOM 665 N GLN 87 26.972 39.072 13.676 1.00 27.38 1NCG 806 ATOM 666 CA GLN 87 26.204 38.395 12.631 1.00 28.79 1NCG 807 ATOM 667 C GLN 87 26.912 38.701 11.308 1.00 29.45 1NCG 808 ATOM 668 O GLN 87 27.205 39.859 11.008 1.00 29.04 1NCG 809 ATOM 669 CB GLN 87 24.736 38.856 12.599 1.00 30.41 1NCG 810 ATOM 670 CG GLN 87 23.767 37.758 13.076 1.00 31.95 1NCG 811 ATOM 671 CD GLN 87 22.289 38.041 12.786 1.00 32.70 1NCG 812 ATOM 672 OE1 GLN 87 21.673 37.414 11.913 1.00 33.95 1NCG 813 ATOM 673 NE2 GLN 87 21.722 38.977 13.511 1.00 32.82 1NCG 814 ATOM 674 N VAL 88 27.245 37.666 10.554 1.00 30.00 1NCG 815 ATOM 675 CA VAL 88 27.956 37.879 9.289 1.00 31.07 1NCG 816 ATOM 676 C VAL 88 27.055 38.236 8.112 1.00 32.16 1NCG 817 ATOM 677 O VAL 88 27.532 38.672 7.065 1.00 33.02 1NCG 818 ATOM 678 CB VAL 88 28.894 36.716 8.938 1.00 30.08 1NCG 819 ATOM 679 CG1 VAL 88 30.050 36.698 9.901 1.00 28.69 1NCG 820 ATOM 680 CG2 VAL 88 28.147 35.398 8.974 1.00 31.12 1NCG 821 ATOM 681 N GLU 89 25.750 38.096 8.310 1.00 32.49 1NCG 822 ATOM 682 CA GLU 89 24.780 38.448 7.297 1.00 32.92 1NCG 823 ATOM 683 C GLU 89 23.378 38.449 7.878 1.00 32.54 1NCG 824 ATOM 684 O GLU 89 23.151 37.981 8.989 1.00 32.17 1NCG 825 ATOM 685 CB GLU 89 24.847 37.462 6.164 1.00 34.37 1NCG 826 ATOM 686 CG GLU 89 24.304 36.112 6.576 1.00 35.29 1NCG 827 ATOM 687 CD GLU 89 24.737 35.048 5.632 1.00 36.33 1NCG 828 ATOM 688 OE1 GLU 89 24.749 35.307 4.405 1.00 34.79 1NCG 829 ATOM 689 OE2 GLU 89 25.102 33.962 6.133 1.00 37.42 1NCG 830 ATOM 690 N ASN 90 22.448 39.029 7.134 1.00 32.07 1NCG 831 ATOM 691 CA ASN 90 21.070 39.089 7.574 1.00 31.93 1NCG 832 ATOM 692 C ASN 90 20.521 37.696 7.805 1.00 31.61 1NCG 833 ATOM 693 O ASN 90 20.916 36.748 7.142 1.00 31.42 1NCG 834 ATOM 694 CB ASN 90 20.201 39.786 6.517 1.00 32.13 1NCG 835 ATOM 695 CG ASN 90 20.520 41.240 6.388 1.00 32.77 1NCG 836 ATOM 696 OD1 ASN 90 20.518 41.794 5.302 1.00 33.91 1NCG 837 ATOM 697 ND2 ASN 90 20.791 41.871 7.494 1.00 32.79 1NCG 838 ATOM 698 N PRO 91 19.599 37.560 8.753 1.00 31.96 1NCG 839 ATOM 699 CA PRO 91 18.998 36.257 9.042 1.00 31.82 1NCG 840 ATOM 700 C PRO 91 18.072 35.809 7.898 1.00 30.90 1NCG 841 ATOM 701 O PRO 91 17.439 36.628 7.218 1.00 31.37 1NCG 842 ATOM 702 CB PRO 91 18.221 36.525 10.331 1.00 32.17 1NCG 843 ATOM 703 CG PRO 91 17.860 37.934 10.214 1.00 32.45 1NCG 844 ATOM 704 CD PRO 91 19.119 38.571 9.702 1.00 32.49 1NCG 845 ATOM 705 N ILE 92 18.011 34.504 7.687 1.00 29.70 1NCG 846 ATOM 706 CA ILE 92 17.159 33.962 6.639 1.00 27.23 1NCG 847 ATOM 707 C ILE 92 15.835 33.524 7.272 1.00 26.39 1NCG 848 ATOM 708 O ILE 92 15.816 32.926 8.346 1.00 25.74 1NCG 849 ATOM 709 CB ILE 92 17.862 32.775 5.922 1.00 27.55 1NCG 850 ATOM 710 CG1 ILE 92 17.121 32.422 4.628 1.00 27.27 1NCG 851 ATOM 711 CG2 ILE 92 17.971 31.547 6.855 1.00 26.42 1NCG 852 ATOM 712 CD1 ILE 92 17.363 33.439 3.492 1.00 28.57 1NCG 853 ATOM 713 N ASP 93 14.720 33.956 6.702 1.00 25.39 1NCG 854 ATOM 714 CA ASP 93 13.439 33.543 7.223 1.00 24.86 1NCG 855 ATOM 715 C ASP 93 13.189 32.110 6.752 1.00 24.74 1NCG 856 ATOM 716 O ASP 93 13.520 31.763 5.612 1.00 25.22 1NCG 857 ATOM 717 CB ASP 93 12.359 34.462 6.712 1.00 26.25 1NCG 858 ATOM 718 CG ASP 93 12.469 35.831 7.288 1.00 28.47 1NCG 859 ATOM 719 OD1 ASP 93 11.897 36.023 8.378 1.00 27.57 1NCG 860 ATOM 720 OD2 ASP 93 13.141 36.712 6.672 1.00 30.47 1NCG 861 ATOM 721 N ILE 94 12.559 31.306 7.598 1.00 23.69 1NCG 862 ATOM 722 CA ILE 94 12.265 29.922 7.288 1.00 21.64 1NCG 863 ATOM 723 C ILE 94 10.799 29.699 7.588 1.00 21.66 1NCG 864 ATOM 724 O ILE 94 10.319 29.960 8.693 1.00 20.91 1NCG 865 ATOM 725 CB ILE 94 13.054 28.987 8.163 1.00 22.50 1NCG 866 ATOM 726 CG1 ILE 94 14.540 29.306 8.097 1.00 21.11 1NCG 867 ATOM 727 CG2 ILE 94 12.824 27.539 7.762 1.00 23.51 1NCG 868 ATOM 728 CD1 ILE 94 15.347 28.422 9.028 1.00 22.29 1NCG 869 ATOM 729 N VAL 95 10.082 29.204 6.589 1.00 19.23 1NCG 870 ATOM 730 CA VAL 95 8.668 28.929 6.737 1.00 18.08 1NCG 871 ATOM 731 C VAL 95 8.478 27.429 6.621 1.00 17.58 1NCG 872 ATOM 732 O VAL 95 9.036 26.791 5.717 1.00 15.70 1NCG 873 ATOM 733 CB VAL 95 7.867 29.667 5.662 1.00 16.68 1NCG 874 ATOM 734 CG1 VAL 95 6.417 29.434 5.871 1.00 17.09 1NCG 875 ATOM 735 CG2 VAL 95 8.207 31.121 5.688 1.00 16.07 1NCG 876 ATOM 736 N ILE 96 7.816 26.866 7.630 1.00 17.34 1NCG 877 ATOM 737 CA ILE 96 7.544 25.433 7.722 1.00 17.85 1NCG 878 ATOM 738 C ILE 96 6.054 25.233 7.828 1.00 18.42 1NCG 879 ATOM 739 O ILE 96 5.399 25.729 8.748 1.00 18.17 1NCG 880 ATOM 740 CB ILE 96 8.249 24.811 8.968 1.00 18.41 1NCG 881 ATOM 741 CG1 ILE 96 9.671 25.363 9.050 1.00 20.43 1NCG 882 ATOM 742 CG2 ILE 96 8.205 23.303 8.940 1.00 20.90 1NCG 883 ATOM 743 CD1 ILE 96 10.530 24.782 10.111 1.00 21.14 1NCG 884 ATOM 744 N ASN 97 5.501 24.560 6.831 1.00 19.51 1NCG 885 ATOM 745 CA ASN 97 4.081 24.260 6.799 1.00 20.48 1NCG 886 ATOM 746 C ASN 97 3.942 22.814 7.248 1.00 20.95 1NCG 887 ATOM 747 O ASN 97 4.745 21.955 6.870 1.00 21.56 1NCG 888 ATOM 748 CB ASN 97 3.525 24.430 5.389 1.00 21.89 1NCG 889 ATOM 749 CG ASN 97 3.659 25.846 4.875 1.00 22.44 1NCG 890 ATOM 750 OD1 ASN 97 3.110 26.783 5.452 1.00 25.12 1NCG 891 ATOM 751 ND2 ASN 97 4.361 26.010 3.761 1.00 23.00 1NCG 892 ATOM 752 N VAL 98 2.968 22.563 8.119 1.00 21.41 1NCG 893 ATOM 753 CA VAL 98 2.692 21.234 8.629 1.00 21.19 1NCG 894 ATOM 754 C VAL 98 1.538 20.785 7.707 1.00 21.15 1NCG 895 ATOM 755 O VAL 98 0.484 21.431 7.612 1.00 20.71 1NCG 896 ATOM 756 CB VAL 98 2.268 21.285 10.122 1.00 21.22 1NCG 897 ATOM 757 CG1 VAL 98 2.150 19.876 10.684 1.00 21.30 1NCG 898 ATOM 758 CG2 VAL 98 3.288 22.078 10.925 1.00 20.91 1NCG 899 ATOM 759 N ILE 99 1.772 19.701 6.982 1.00 21.75 1NCG 900 ATOM 760 CA ILE 99 0.805 19.211 5.992 1.00 22.90 1NCG 901 ATOM 761 C ILE 99 0.195 17.908 6.462 1.00 22.47 1NCG 902 ATOM 762 O ILE 99 0.827 17.198 7.255 1.00 22.85 1NCG 903 ATOM 763 CB ILE 99 1.513 19.047 4.601 1.00 23.46 1NCG 904 ATOM 764 CG1 ILE 99 2.868 18.343 4.771 1.00 24.15 1NCG 905 ATOM 765 CG2 ILE 99 1.924 20.410 4.074 1.00 24.93 1NCG 906 ATOM 766 CD1 ILE 99 3.349 17.560 3.581 1.00 27.08 1NCG 907 TER 767 ILE 99 1NCG 908 HETATM 768 YB YB 500 -4.075 15.863 11.668 1.00 33.04 1NCG 909 HETATM 769 O HOH 1 7.008 27.323 25.084 1.00 17.16 1NCG 910 HETATM 770 O HOH 2 24.325 32.205 15.535 1.00 19.09 1NCG 911 HETATM 771 O HOH 3 2.332 21.389 14.518 1.00 12.25 1NCG 912 HETATM 772 O HOH 4 18.441 25.473 18.345 1.00 13.87 1NCG 913 HETATM 773 O HOH 5 14.216 35.423 19.620 1.00 24.83 1NCG 914 HETATM 774 O HOH 6 7.904 16.145 13.302 1.00 18.77 1NCG 915 HETATM 775 O HOH 7 16.004 25.802 19.125 1.00 15.12 1NCG 916 HETATM 776 O HOH 8 9.818 18.710 21.721 1.00 15.29 1NCG 917 HETATM 777 O HOH 9 6.336 30.033 14.199 1.00 16.72 1NCG 918 HETATM 778 O HOH 10 9.986 13.453 20.649 1.00 37.05 1NCG 919 HETATM 779 O HOH 11 13.981 33.481 3.205 1.00 27.84 1NCG 920 HETATM 780 O HOH 12 3.928 29.015 14.578 1.00 15.79 1NCG 921 HETATM 781 O HOH 13 24.608 36.180 19.449 1.00 22.71 1NCG 922 HETATM 782 O HOH 14 24.672 18.133 12.242 1.00 25.98 1NCG 923 HETATM 783 O HOH 15 5.342 32.668 20.874 1.00 24.55 1NCG 924 HETATM 784 O HOH 16 13.278 20.564 22.460 1.00 14.64 1NCG 925 HETATM 785 O HOH 17 11.552 28.507 4.077 1.00 22.71 1NCG 926 HETATM 786 O HOH 18 10.687 34.313 13.278 1.00 21.80 1NCG 927 HETATM 787 O HOH 19 13.775 14.889 20.336 1.00 32.15 1NCG 928 HETATM 788 O HOH 20 22.051 26.613 17.438 1.00 38.56 1NCG 929 HETATM 789 O HOH 21 31.964 27.207 14.913 1.00 40.11 1NCG 930 HETATM 790 O HOH 22 7.325 15.078 8.855 1.00 29.23 1NCG 931 HETATM 791 O HOH 23 37.536 30.317 13.794 1.00 45.37 1NCG 932 HETATM 792 O HOH 24 7.878 22.945 23.315 1.00 25.01 1NCG 933 HETATM 793 O HOH 25 -3.536 15.943 13.871 1.00 22.87 1NCG 934 HETATM 794 O HOH 26 16.239 28.552 19.707 1.00 14.70 1NCG 935 HETATM 795 O HOH 27 -0.315 23.880 6.448 1.00 35.30 1NCG 936 HETATM 796 O HOH 28 16.332 39.293 6.468 1.00 40.30 1NCG 937 HETATM 797 O HOH 29 1.924 23.641 1.837 1.00 29.91 1NCG 938 HETATM 798 O HOH 30 35.089 38.230 21.363 1.00 24.20 1NCG 939 HETATM 799 O HOH 31 5.498 15.434 12.297 1.00 25.44 1NCG 940 HETATM 800 O HOH 32 12.744 35.065 14.779 1.00 24.68 1NCG 941 HETATM 801 O HOH 33 22.756 37.141 15.846 1.00 24.21 1NCG 942 HETATM 802 O HOH 34 20.113 19.240 13.646 1.00 25.11 1NCG 943 HETATM 803 O HOH 35 20.352 33.940 17.652 1.00 23.94 1NCG 944 HETATM 804 O HOH 36 6.457 24.355 25.761 1.00 34.53 1NCG 945 HETATM 805 O HOH 37 22.833 40.797 11.068 1.00 37.14 1NCG 946 HETATM 806 O HOH 38 33.995 32.457 19.995 1.00 26.69 1NCG 947 HETATM 807 O HOH 39 -3.444 11.383 10.160 1.00 66.78 1NCG 948 HETATM 808 O HOH 40 4.890 32.484 14.270 1.00 25.47 1NCG 949 HETATM 809 O HOH 41 15.699 12.780 8.317 1.00 41.29 1NCG 950 HETATM 810 O HOH 42 9.260 15.947 10.495 1.00 34.40 1NCG 951 HETATM 811 O HOH 43 25.637 40.939 15.648 1.00 21.68 1NCG 952 HETATM 812 O HOH 44 11.905 11.214 20.860 1.00 23.62 1NCG 953 HETATM 813 O HOH 45 -1.983 27.593 16.028 1.00 29.18 1NCG 954 HETATM 814 O HOH 46 3.495 8.714 10.380 1.00 44.56 1NCG 955 HETATM 815 O HOH 47 10.300 35.091 10.152 1.00 34.33 1NCG 956 HETATM 816 O HOH 48 2.688 29.437 16.888 1.00 28.09 1NCG 957 HETATM 817 O HOH 49 17.147 9.934 14.066 1.00 49.83 1NCG 958 HETATM 818 O HOH 50 34.823 33.928 12.893 1.00 38.35 1NCG 959 HETATM 819 O HOH 51 37.770 36.121 19.416 1.00 28.06 1NCG 960 HETATM 820 O HOH 52 13.293 34.162 23.689 1.00 25.98 1NCG 961 HETATM 821 O HOH 53 34.598 39.794 14.346 1.00 31.58 1NCG 962 HETATM 822 O HOH 54 8.780 35.958 16.873 1.00 36.15 1NCG 963 HETATM 823 O HOH 55 9.304 20.720 23.365 1.00 36.60 1NCG 964 HETATM 824 O HOH 56 -2.549 26.784 13.150 1.00 25.41 1NCG 965 HETATM 825 O HOH 57 8.631 28.985 26.648 1.00 33.99 1NCG 966 HETATM 826 O HOH 58 1.886 12.077 15.871 1.00 50.84 1NCG 967 HETATM 827 O HOH 59 4.641 28.883 2.367 1.00 46.87 1NCG 968 HETATM 828 O HOH 60 6.806 16.222 22.871 1.00 46.36 1NCG 969 HETATM 829 O HOH 61 14.404 26.261 22.870 1.00 25.96 1NCG 970 HETATM 830 O HOH 62 -4.350 16.854 9.952 1.00 28.10 1NCG 971 HETATM 831 O HOH 63 30.756 31.929 16.561 1.00 48.32 1NCG 972 HETATM 832 O HOH 64 33.627 41.867 17.565 1.00 34.06 1NCG 973 HETATM 833 O HOH 65 13.399 36.310 21.990 1.00 26.04 1NCG 974 HETATM 834 O HOH 66 19.592 19.853 3.151 1.00 26.47 1NCG 975 HETATM 835 O HOH 67 8.503 35.561 14.058 1.00 48.04 1NCG 976 HETATM 836 O HOH 68 6.135 34.645 14.055 1.00 25.44 1NCG 977 HETATM 837 O HOH 69 35.917 27.813 7.837 1.00 51.78 1NCG 978 HETATM 838 O HOH 70 17.949 17.861 3.543 1.00 43.01 1NCG 979 HETATM 839 O HOH 71 18.981 15.959 15.024 1.00 30.58 1NCG 980 HETATM 840 O HOH 72 -1.647 14.786 15.291 1.00 62.39 1NCG 981 HETATM 841 O HOH 73 23.181 34.814 17.206 1.00 23.68 1NCG 982 HETATM 842 O HOH 74 22.377 20.194 2.133 1.00 48.96 1NCG 983 HETATM 843 O HOH 75 9.350 33.068 8.800 1.00 50.52 1NCG 984 HETATM 844 O HOH 76 32.942 31.132 15.214 1.00 71.13 1NCG 985 HETATM 845 O HOH 77 17.236 12.407 10.994 1.00 29.97 1NCG 986 HETATM 846 O HOH 78 17.317 41.069 8.208 1.00 34.30 1NCG 987 HETATM 847 O HOH 79 17.174 14.771 6.567 1.00 62.90 1NCG 988 HETATM 848 O HOH 80 -1.093 29.451 9.959 1.00 25.11 1NCG 989 HETATM 849 O HOH 81 0.215 24.710 3.609 1.00 46.88 1NCG 990 HETATM 850 O HOH 82 1.037 14.592 16.258 1.00 28.76 1NCG 991 HETATM 851 O HOH 83 9.272 35.008 5.903 1.00 34.25 1NCG 992 HETATM 852 O HOH 84 14.593 35.753 4.439 1.00 29.51 1NCG 993 HETATM 853 O HOH 85 11.466 23.392 25.047 1.00 33.48 1NCG 994 HETATM 854 O HOH 86 4.052 24.739 24.595 1.00 22.61 1NCG 995 HETATM 855 O HOH 87 30.203 26.810 10.224 1.00 55.23 1NCG 996 HETATM 856 O HOH 88 -4.009 16.709 7.037 1.00 23.89 1NCG 997 HETATM 857 O HOH 89 4.018 12.100 8.549 1.00 32.12 1NCG 998 HETATM 858 O HOH 90 13.642 18.020 22.931 1.00 40.40 1NCG 999 HETATM 859 O HOH 91 -0.131 28.229 12.371 1.00 32.42 1NCG1000 HETATM 860 O HOH 92 13.409 38.483 1.306 1.00 42.04 1NCG1001 HETATM 861 O HOH 93 36.490 31.791 20.405 1.00 46.42 1NCG1002 HETATM 862 O HOH 94 3.273 32.585 16.602 1.00 50.90 1NCG1003 HETATM 863 O HOH 95 28.946 23.715 19.294 1.00 30.96 1NCG1004 HETATM 864 O HOH 96 3.872 33.142 22.937 1.00 27.06 1NCG1005 HETATM 865 O HOH 97 0.855 8.468 9.959 1.00 55.74 1NCG1006 HETATM 866 O HOH 98 7.211 13.155 21.380 1.00 39.19 1NCG1007 HETATM 867 O HOH 99 20.872 45.289 9.526 1.00 49.59 1NCG1008 HETATM 868 O HOH 100 9.150 31.015 1.009 1.00 47.15 1NCG1009 HETATM 869 O HOH 101 7.102 35.443 20.766 1.00 49.43 1NCG1010 HETATM 870 O HOH 102 8.258 10.917 9.210 1.00 55.27 1NCG1011 HETATM 871 O HOH 103 10.210 31.635 25.167 1.00 34.95 1NCG1012 HETATM 872 O HOH 104 13.011 12.662 7.844 1.00 50.36 1NCG1013 HETATM 873 O HOH 105 34.619 41.115 20.059 1.00 42.87 1NCG1014 HETATM 874 O HOH 106 17.049 40.473 3.970 1.00 53.30 1NCG1015 HETATM 875 O HOH 107 1.750 8.685 12.959 1.00 65.70 1NCG1016 HETATM 876 O HOH 108 16.047 8.737 17.583 1.00 60.51 1NCG1017 HETATM 877 O HOH 109 17.879 19.703 1.113 1.00 37.57 1NCG1018 HETATM 878 O HOH 110 11.403 32.559 3.474 1.00 43.03 1NCG1019 HETATM 879 O HOH 111 -5.508 19.421 10.029 1.00 48.16 1NCG1020 HETATM 880 O HOH 112 0.070 10.869 6.959 1.00 47.83 1NCG1021 HETATM 881 O HOH 113 6.776 12.547 8.061 1.00 53.54 1NCG1022 HETATM 882 O HOH 114 6.647 9.134 9.966 1.00 43.94 1NCG1023 HETATM 883 O HOH 115 9.838 9.187 10.030 1.00 38.20 1NCG1024 HETATM 884 O HOH 116 15.390 10.603 12.122 1.00 40.09 1NCG1025 HETATM 885 O HOH 117 11.852 15.176 7.481 1.00 31.97 1NCG1026 HETATM 886 O HOH 118 9.947 16.504 6.285 1.00 56.40 1NCG1027 HETATM 887 O HOH 119 32.894 25.979 10.897 1.00 47.71 1NCG1028 HETATM 888 O HOH 120 3.357 30.581 19.142 1.00 42.23 1NCG1029 HETATM 889 O HOH 121 1.476 29.872 13.753 1.00 33.11 1NCG1030 HETATM 890 O HOH 122 -3.453 30.174 10.955 1.00 54.04 1NCG1031 HETATM 891 O HOH 123 1.760 31.238 22.884 1.00 60.78 1NCG1032 HETATM 892 O HOH 124 12.191 30.395 26.436 1.00 49.30 1NCG1033 HETATM 893 O HOH 125 29.579 26.007 18.226 1.00 30.77 1NCG1034 HETATM 894 O HOH 126 14.176 10.340 9.528 1.00 56.89 1NCG1035 HETATM 895 O HOH 127 19.739 13.922 13.148 1.00 53.73 1NCG1036 HETATM 896 O HOH 128 37.429 40.422 19.807 1.00 66.09 1NCG1037 HETATM 897 O HOH 129 4.657 13.364 21.230 1.00 34.95 1NCG1038 HETATM 898 O HOH 130 7.553 11.050 19.953 1.00 35.69 1NCG1039 HETATM 899 O HOH 131 4.621 23.919 28.412 1.00 33.54 1NCG1040 HETATM 900 O HOH 132 3.684 26.308 29.267 1.00 36.39 1NCG1041 HETATM 901 O HOH 133 36.986 36.433 13.580 1.00 70.72 1NCG1042 HETATM 902 O HOH 134 38.796 37.332 21.691 1.00 45.66 1NCG1043 HETATM 903 O HOH 135 18.761 39.315 12.782 1.00 56.78 1NCG1044 HETATM 904 O HOH 136 -2.138 20.284 4.654 1.00 42.00 1NCG1045 HETATM 905 O HOH 137 15.970 37.809 2.243 1.00 66.09 1NCG1046 HETATM 906 O HOH 138 18.956 40.084 0.970 1.00 60.96 1NCG1047 HETATM 907 O HOH 139 11.765 39.861 4.835 1.00 58.83 1NCG1048 HETATM 908 O HOH 140 14.223 38.709 4.992 1.00 62.55 1NCG1049 HETATM 909 O HOH 141 10.962 18.109 4.334 1.00 47.49 1NCG1050 HETATM 910 O HOH 142 10.860 9.019 7.532 1.00 58.13 1NCG1051 HETATM 911 O HOH 143 10.100 12.803 7.509 1.00 53.23 1NCG1052 HETATM 912 O HOH 144 12.364 8.401 9.626 1.00 46.54 1NCG1053 HETATM 913 O HOH 145 3.990 10.425 15.455 1.00 47.78 1NCG1054 HETATM 914 O HOH 146 10.543 6.934 16.577 1.00 56.84 1NCG1055 HETATM 915 O HOH 147 21.937 12.010 9.794 1.00 46.93 1NCG1056 HETATM 916 O HOH 148 22.423 17.842 4.425 1.00 46.05 1NCG1057 HETATM 917 O HOH 149 19.491 17.397 0.388 1.00 41.42 1NCG1058 HETATM 918 O HOH 150 37.577 29.746 19.135 1.00 36.14 1NCG1059 HETATM 919 O HOH 151 11.831 28.224 27.763 1.00 36.25 1NCG1060 HETATM 920 O HOH 152 7.875 31.396 27.484 1.00 42.26 1NCG1061 HETATM 921 O HOH 153 -5.258 32.177 9.789 1.00 42.97 1NCG1062 HETATM 922 O HOH 154 15.620 21.199 22.859 1.00 40.18 1NCG1063 HETATM 923 O HOH 155 11.043 37.782 22.349 1.00 51.32 1NCG1064 HETATM 924 O HOH 156 -2.937 13.867 7.743 1.00 40.17 1NCG1065 HETATM 925 O HOH 157 -5.624 13.949 7.777 1.00 56.15 1NCG1066 HETATM 926 O HOH 158 28.958 41.267 10.252 1.00 53.73 1NCG1067 HETATM 927 O HOH 159 30.074 32.746 -1.588 1.00 65.27 1NCG1068 HETATM 928 O HOH 160 14.880 42.086 3.785 1.00 63.32 1NCG1069 HETATM 929 O HOH 161 -4.010 23.900 5.258 1.00 42.94 1NCG1070 HETATM 930 O HOH 162 5.357 31.442 1.981 1.00 50.00 1NCG1071 HETATM 931 O HOH 163 3.646 27.432 0.050 1.00 53.52 1NCG1072 HETATM 932 O HOH 164 10.959 31.375 -2.747 1.00 41.30 1NCG1073 HETATM 933 O HOH 165 22.846 23.036 1.851 1.00 48.71 1NCG1074 HETATM 934 O HOH 166 16.394 31.419 -4.644 1.00 62.03 1NCG1075 HETATM 935 O HOH 167 28.958 28.080 -1.073 1.00 57.43 1NCG1076 HETATM 936 O HOH 168 -0.439 13.532 6.866 1.00 58.10 1NCG1077 HETATM 937 O HOH 169 13.023 9.028 18.450 1.00 77.58 1NCG1078 HETATM 938 O HOH 170 9.678 7.805 18.943 1.00 61.20 1NCG1079 HETATM 939 O HOH 171 14.860 15.840 4.709 1.00 55.14 1NCG1080 HETATM 940 O HOH 172 20.465 13.367 15.616 1.00 48.66 1NCG1081 HETATM 941 O HOH 173 24.116 31.099 18.020 1.00 59.06 1NCG1082 HETATM 942 O HOH 174 23.676 28.365 18.322 1.00 48.90 1NCG1083 HETATM 943 O HOH 175 32.211 25.351 18.680 1.00 70.40 1NCG1084 HETATM 944 O HOH 176 4.665 36.907 15.536 1.00 46.43 1NCG1085 HETATM 945 O HOH 177 -0.039 32.057 9.304 1.00 60.67 1NCG1086 HETATM 946 O HOH 178 35.190 39.098 24.257 1.00 57.78 1NCG1087 HETATM 947 O HOH 179 16.583 17.127 20.350 1.00 49.13 1NCG1088 HETATM 948 O HOH 180 30.297 43.280 11.913 1.00 61.06 1NCG1089 HETATM 949 O HOH 181 13.364 13.866 24.331 1.00 51.19 1NCG1090 HETATM 950 O HOH 182 32.369 23.351 10.214 1.00 55.60 1NCG1091 HETATM 951 O HOH 183 29.463 19.914 10.315 1.00 45.95 1NCG1092 HETATM 952 O HOH 184 39.372 39.625 23.270 1.00 53.15 1NCG1093 HETATM 953 O HOH 185 27.384 18.387 16.298 1.00 51.78 1NCG1094 HETATM 954 O HOH 186 3.506 9.332 18.251 1.00 51.33 1NCG1095 HETATM 955 O HOH 187 7.724 9.513 17.921 1.00 57.57 1NCG1096 HETATM 956 O HOH 188 4.704 6.125 9.929 1.00 67.60 1NCG1097 HETATM 957 O HOH 189 12.251 35.820 3.289 1.00 33.23 1NCG1098 HETATM 958 O HOH 190 22.645 35.712 10.363 1.00 40.70 1NCG1099 HETATM 959 O HOH 191 39.333 28.842 10.953 1.00 55.71 1NCG1100 HETATM 960 O HOH 192 32.842 39.311 21.204 1.00 46.60 1NCG1101 HETATM 961 O HOH 193 18.239 43.387 6.516 1.00 72.90 1NCG1102 HETATM 962 O HOH 194 23.694 45.280 8.790 1.00 57.04 1NCG1103 HETATM 963 O HOH 195 1.758 31.572 11.174 1.00 55.66 1NCG1104 HETATM 964 O HOH 196 6.345 9.412 22.367 1.00 47.36 1NCG1105 HETATM 965 O HOH 197 0.347 14.832 18.926 1.00 54.44 1NCG1106 HETATM 966 O HOH 198 20.186 11.036 17.476 1.00 49.97 1NCG1107 HETATM 967 O HOH 199 25.739 22.608 1.077 1.00 62.81 1NCG1108 HETATM 968 O HOH 200 5.937 36.074 17.811 1.00 52.04 1NCG1109 HETATM 969 O HOH 201 17.387 31.484 20.409 1.00 49.07 1NCG1110 HETATM 970 O HOH 202 30.903 19.442 14.279 1.00 37.32 1NCG1111 CONECT 86 85 768 1NCG1112 CONECT 87 85 768 1NCG1113 CONECT 527 526 528 529 768 1NCG1114 CONECT 528 527 768 1NCG1115 CONECT 529 527 768 1NCG1116 CONECT 768 86 87 527 528 1NCG1117 CONECT 768 529 1NCG1118 MASTER 83 6 1 1 7 0 1 6 969 1 7 9 1NCG1119 END 1NCG1120