USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) HEADER THREE-HELIX BUNDLE 01-APR-99 2A3D TITLE SOLUTION STRUCTURE OF A DE NOVO DESIGNED SINGLE CHAIN THREE- TITLE 2 HELIX BUNDLE (A3D) COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (DE NOVO THREE-HELIX BUNDLE); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 3 ORGANISM_TAXID: 32630; SOURCE 4 STRAIN: BL21(DE3); SOURCE 5 CELLULAR_LOCATION: CYTOPLASM; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR: ESCHERICHIA COLI; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET-16B; SOURCE 1 EXPRESSION_SYSTEM_GENE: A3D; SOURCE 2 OTHER_DETAILS: SYNTHETIC GENE KEYWDS THREE-HELIX BUNDLE EXPDTA SOLUTION NMR AUTHOR S.T.R.WALSH,H.CHENG,J.W.BRYSON,H.RODER,W.F.DEGRADO REVDAT 3 24-FEB-09 2A3D 1 VERSN REVDAT 2 01-APR-03 2A3D 1 JRNL REVDAT 1 05-MAY-99 2A3D 0 JRNL AUTH S.T.WALSH,H.CHENG,J.W.BRYSON,H.RODER,W.F.DEGRADO JRNL TITL SOLUTION STRUCTURE AND DYNAMICS OF A DE NOVO JRNL TITL 2 DESIGNED THREE-HELIX BUNDLE PROTEIN. JRNL REF PROC.NATL.ACAD.SCI.USA V. 96 5486 1999 JRNL REFN ISSN 0027-8424 JRNL PMID 10318910 JRNL DOI 10.1073/PNAS.96.10.5486 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE PNAS CITATION REMARK 4 REMARK 4 2A3D COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-APR-99. REMARK 100 THE RCSB ID CODE IS RCSB000779. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 5.0 REMARK 210 IONIC STRENGTH : 50 MM SODIUM ACETATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 92% WATER/8% D2O AND 99.9% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : TRIPLE RESONANCE REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX600 & INOVA750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER & VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 60 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: LOWEST ENERGY. THE STRUCTURE WAS DETERMINED USING REMARK 210 TRIPLE- RESONANCE NMR SPECTROSCOPY ON 15N, 13C LABELED A3D REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 20 -74.62 -97.65 REMARK 500 SER A 24 -82.73 47.07 REMARK 500 GLU A 27 -73.80 -95.52 REMARK 500 LYS A 46 -158.87 -158.89 REMARK 500 LYS A 48 54.26 169.73 REMARK 500 HIS A 72 53.56 -144.77 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 10 0.30 SIDE_CHAIN REMARK 500 ARG A 17 0.29 SIDE_CHAIN REMARK 500 ARG A 57 0.30 SIDE_CHAIN REMARK 500 ARG A 64 0.22 SIDE_CHAIN REMARK 500 ARG A 71 0.22 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 2A3D A 1 73 PDB 2A3D 2A3D 1 73 SEQRES 1 A 73 MET GLY SER TRP ALA GLU PHE LYS GLN ARG LEU ALA ALA SEQRES 2 A 73 ILE LYS THR ARG LEU GLN ALA LEU GLY GLY SER GLU ALA SEQRES 3 A 73 GLU LEU ALA ALA PHE GLU LYS GLU ILE ALA ALA PHE GLU SEQRES 4 A 73 SER GLU LEU GLN ALA TYR LYS GLY LYS GLY ASN PRO GLU SEQRES 5 A 73 VAL GLU ALA LEU ARG LYS GLU ALA ALA ALA ILE ARG ASP SEQRES 6 A 73 GLU LEU GLN ALA TYR ARG HIS ASN HELIX 1 1 GLY A 2 ALA A 20 1 19 HELIX 2 2 SER A 24 ALA A 26 5 3 HELIX 3 3 LEU A 28 ALA A 44 1 17 HELIX 4 4 VAL A 53 TYR A 70 5 18 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl 154:sc= -0.216 (180deg=0) USER MOD Set 1.2: A 3 SER OG : rot -80:sc= -0.39 USER MOD Single : A 1 MET N :NH3+ -110:sc= -0.172 (180deg=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0322 K(o=-0.032,f=-0.75) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.204 K(o=-0.2,f=-4.4!) USER MOD Single : A 24 SER OG : rot 132:sc= -0.903! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 45 TYR OH : rot -70:sc= -1.45! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 58 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0102) USER MOD Single : A 68 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.7!) USER MOD Single : A 70 TYR OH : rot -1:sc= -2.53! USER MOD Single : A 72 HIS : no HD1:sc= -2.01! K(o=-2!,f=-1.1) USER MOD Single : A 73 ASN : amide:sc= 0.00347 X(o=0.0035,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 55.881 8.038 16.840 1.00 0.00 N ATOM 2 CA MET A 1 56.203 9.492 16.942 1.00 0.00 C ATOM 3 C MET A 1 56.556 10.053 15.560 1.00 0.00 C ATOM 4 O MET A 1 56.095 9.567 14.547 1.00 0.00 O ATOM 5 CB MET A 1 57.407 9.574 17.888 1.00 0.00 C ATOM 6 CG MET A 1 58.621 8.894 17.248 1.00 0.00 C ATOM 7 SD MET A 1 59.537 7.982 18.515 1.00 0.00 S ATOM 8 CE MET A 1 61.170 8.676 18.160 1.00 0.00 C ATOM 0 H1 MET A 1 54.864 7.895 17.004 1.00 0.00 H new ATOM 0 H2 MET A 1 56.130 7.693 15.891 1.00 0.00 H new ATOM 0 H3 MET A 1 56.424 7.511 17.554 1.00 0.00 H new ATOM 0 HA MET A 1 55.361 10.076 17.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 57.637 10.616 18.108 1.00 0.00 H new ATOM 0 HB3 MET A 1 57.168 9.093 18.837 1.00 0.00 H new ATOM 0 HG2 MET A 1 58.297 8.216 16.459 1.00 0.00 H new ATOM 0 HG3 MET A 1 59.266 9.640 16.783 1.00 0.00 H new ATOM 0 HE1 MET A 1 61.786 8.633 19.058 1.00 0.00 H new ATOM 0 HE2 MET A 1 61.645 8.100 17.366 1.00 0.00 H new ATOM 0 HE3 MET A 1 61.063 9.713 17.842 1.00 0.00 H new ATOM 20 N GLY A 2 57.369 11.073 15.512 1.00 0.00 N ATOM 21 CA GLY A 2 57.749 11.663 14.196 1.00 0.00 C ATOM 22 C GLY A 2 58.308 10.568 13.285 1.00 0.00 C ATOM 23 O GLY A 2 58.266 10.673 12.075 1.00 0.00 O ATOM 0 H GLY A 2 57.786 11.523 16.326 1.00 0.00 H new ATOM 0 HA2 GLY A 2 56.881 12.129 13.731 1.00 0.00 H new ATOM 0 HA3 GLY A 2 58.493 12.447 14.339 1.00 0.00 H new ATOM 27 N SER A 3 58.831 9.517 13.855 1.00 0.00 N ATOM 28 CA SER A 3 59.391 8.417 13.018 1.00 0.00 C ATOM 29 C SER A 3 58.303 7.847 12.104 1.00 0.00 C ATOM 30 O SER A 3 58.435 7.837 10.897 1.00 0.00 O ATOM 31 CB SER A 3 59.862 7.359 14.015 1.00 0.00 C ATOM 32 OG SER A 3 60.422 7.997 15.154 1.00 0.00 O ATOM 0 H SER A 3 58.895 9.372 14.863 1.00 0.00 H new ATOM 0 HA SER A 3 60.202 8.758 12.375 1.00 0.00 H new ATOM 0 HB2 SER A 3 59.025 6.727 14.313 1.00 0.00 H new ATOM 0 HB3 SER A 3 60.602 6.709 13.549 1.00 0.00 H new ATOM 0 HG SER A 3 61.340 8.276 14.954 1.00 0.00 H new ATOM 38 N TRP A 4 57.228 7.374 12.672 1.00 0.00 N ATOM 39 CA TRP A 4 56.131 6.807 11.835 1.00 0.00 C ATOM 40 C TRP A 4 55.463 7.911 11.006 1.00 0.00 C ATOM 41 O TRP A 4 54.683 7.640 10.116 1.00 0.00 O ATOM 42 CB TRP A 4 55.138 6.215 12.835 1.00 0.00 C ATOM 43 CG TRP A 4 53.963 5.655 12.100 1.00 0.00 C ATOM 44 CD1 TRP A 4 52.821 6.330 11.830 1.00 0.00 C ATOM 45 CD2 TRP A 4 53.794 4.321 11.538 1.00 0.00 C ATOM 46 NE1 TRP A 4 51.958 5.498 11.137 1.00 0.00 N ATOM 47 CE2 TRP A 4 52.507 4.249 10.930 1.00 0.00 C ATOM 48 CE3 TRP A 4 54.623 3.170 11.493 1.00 0.00 C ATOM 49 CZ2 TRP A 4 52.056 3.076 10.299 1.00 0.00 C ATOM 50 CZ3 TRP A 4 54.173 1.986 10.859 1.00 0.00 C ATOM 51 CH2 TRP A 4 52.892 1.941 10.263 1.00 0.00 C ATOM 0 H TRP A 4 57.061 7.355 13.678 1.00 0.00 H new ATOM 0 HA TRP A 4 56.497 6.061 11.129 1.00 0.00 H new ATOM 0 HB2 TRP A 4 55.620 5.433 13.422 1.00 0.00 H new ATOM 0 HB3 TRP A 4 54.810 6.983 13.536 1.00 0.00 H new ATOM 0 HD1 TRP A 4 52.616 7.353 12.110 1.00 0.00 H new ATOM 0 HE1 TRP A 4 51.029 5.775 10.818 1.00 0.00 H new ATOM 0 HE3 TRP A 4 55.603 3.197 11.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 51.076 3.045 9.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 54.811 1.115 10.831 1.00 0.00 H new ATOM 0 HH2 TRP A 4 52.553 1.037 9.780 1.00 0.00 H new ATOM 62 N ALA A 5 55.759 9.153 11.288 1.00 0.00 N ATOM 63 CA ALA A 5 55.134 10.261 10.511 1.00 0.00 C ATOM 64 C ALA A 5 55.687 10.286 9.083 1.00 0.00 C ATOM 65 O ALA A 5 54.957 10.467 8.128 1.00 0.00 O ATOM 66 CB ALA A 5 55.523 11.536 11.259 1.00 0.00 C ATOM 0 H ALA A 5 56.405 9.446 12.021 1.00 0.00 H new ATOM 0 HA ALA A 5 54.053 10.149 10.429 1.00 0.00 H new ATOM 0 HB1 ALA A 5 55.100 12.401 10.748 1.00 0.00 H new ATOM 0 HB2 ALA A 5 55.138 11.492 12.278 1.00 0.00 H new ATOM 0 HB3 ALA A 5 56.609 11.626 11.285 1.00 0.00 H new ATOM 72 N GLU A 6 56.971 10.107 8.929 1.00 0.00 N ATOM 73 CA GLU A 6 57.568 10.122 7.562 1.00 0.00 C ATOM 74 C GLU A 6 57.289 8.798 6.845 1.00 0.00 C ATOM 75 O GLU A 6 57.137 8.754 5.640 1.00 0.00 O ATOM 76 CB GLU A 6 59.069 10.303 7.789 1.00 0.00 C ATOM 77 CG GLU A 6 59.687 11.013 6.581 1.00 0.00 C ATOM 78 CD GLU A 6 59.814 12.508 6.879 1.00 0.00 C ATOM 79 OE1 GLU A 6 60.515 12.848 7.818 1.00 0.00 O ATOM 80 OE2 GLU A 6 59.209 13.288 6.162 1.00 0.00 O ATOM 0 H GLU A 6 57.632 9.951 9.690 1.00 0.00 H new ATOM 0 HA GLU A 6 57.151 10.913 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 6 59.243 10.885 8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 6 59.545 9.333 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 6 60.667 10.591 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 6 59.067 10.859 5.698 1.00 0.00 H new ATOM 87 N PHE A 7 57.221 7.718 7.575 1.00 0.00 N ATOM 88 CA PHE A 7 56.952 6.399 6.932 1.00 0.00 C ATOM 89 C PHE A 7 55.552 6.387 6.313 1.00 0.00 C ATOM 90 O PHE A 7 55.295 5.695 5.348 1.00 0.00 O ATOM 91 CB PHE A 7 57.048 5.380 8.067 1.00 0.00 C ATOM 92 CG PHE A 7 58.390 4.690 8.012 1.00 0.00 C ATOM 93 CD1 PHE A 7 59.529 5.318 8.564 1.00 0.00 C ATOM 94 CD2 PHE A 7 58.507 3.418 7.409 1.00 0.00 C ATOM 95 CE1 PHE A 7 60.785 4.674 8.513 1.00 0.00 C ATOM 96 CE2 PHE A 7 59.763 2.774 7.357 1.00 0.00 C ATOM 97 CZ PHE A 7 60.903 3.401 7.909 1.00 0.00 C ATOM 0 H PHE A 7 57.340 7.691 8.588 1.00 0.00 H new ATOM 0 HA PHE A 7 57.654 6.180 6.128 1.00 0.00 H new ATOM 0 HB2 PHE A 7 56.922 5.878 9.029 1.00 0.00 H new ATOM 0 HB3 PHE A 7 56.246 4.647 7.980 1.00 0.00 H new ATOM 0 HD1 PHE A 7 59.439 6.291 9.025 1.00 0.00 H new ATOM 0 HD2 PHE A 7 57.636 2.938 6.988 1.00 0.00 H new ATOM 0 HE1 PHE A 7 61.655 5.154 8.935 1.00 0.00 H new ATOM 0 HE2 PHE A 7 59.852 1.802 6.895 1.00 0.00 H new ATOM 0 HZ PHE A 7 61.863 2.908 7.870 1.00 0.00 H new ATOM 107 N LYS A 8 54.644 7.148 6.860 1.00 0.00 N ATOM 108 CA LYS A 8 53.261 7.179 6.301 1.00 0.00 C ATOM 109 C LYS A 8 53.236 7.985 5.000 1.00 0.00 C ATOM 110 O LYS A 8 52.484 7.693 4.091 1.00 0.00 O ATOM 111 CB LYS A 8 52.414 7.864 7.374 1.00 0.00 C ATOM 112 CG LYS A 8 50.959 7.934 6.907 1.00 0.00 C ATOM 113 CD LYS A 8 50.298 9.187 7.483 1.00 0.00 C ATOM 114 CE LYS A 8 48.784 8.979 7.554 1.00 0.00 C ATOM 115 NZ LYS A 8 48.266 9.504 6.259 1.00 0.00 N ATOM 0 H LYS A 8 54.799 7.749 7.669 1.00 0.00 H new ATOM 0 HA LYS A 8 52.888 6.182 6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 8 52.480 7.312 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 8 52.794 8.867 7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 8 50.916 7.955 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 8 50.419 7.044 7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 8 50.694 9.396 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 8 50.528 10.051 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 8 48.535 7.925 7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 8 48.351 9.514 8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 47.232 9.397 6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 48.513 10.510 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 48.691 8.972 5.473 1.00 0.00 H new ATOM 129 N GLN A 9 54.053 8.999 4.902 1.00 0.00 N ATOM 130 CA GLN A 9 54.074 9.821 3.658 1.00 0.00 C ATOM 131 C GLN A 9 54.693 9.021 2.508 1.00 0.00 C ATOM 132 O GLN A 9 54.452 9.293 1.349 1.00 0.00 O ATOM 133 CB GLN A 9 54.941 11.033 3.997 1.00 0.00 C ATOM 134 CG GLN A 9 54.094 12.305 3.921 1.00 0.00 C ATOM 135 CD GLN A 9 54.615 13.328 4.932 1.00 0.00 C ATOM 136 OE1 GLN A 9 55.775 13.306 5.292 1.00 0.00 O ATOM 137 NE2 GLN A 9 53.801 14.229 5.409 1.00 0.00 N ATOM 0 H GLN A 9 54.706 9.293 5.628 1.00 0.00 H new ATOM 0 HA GLN A 9 53.074 10.114 3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 9 55.363 10.924 4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 9 55.779 11.099 3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 9 54.133 12.721 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 9 53.050 12.072 4.129 1.00 0.00 H new ATOM 0 HE21 GLN A 9 52.827 14.248 5.107 1.00 0.00 H new ATOM 0 HE22 GLN A 9 54.139 14.915 6.084 1.00 0.00 H new ATOM 146 N ARG A 10 55.490 8.035 2.820 1.00 0.00 N ATOM 147 CA ARG A 10 56.124 7.219 1.744 1.00 0.00 C ATOM 148 C ARG A 10 55.108 6.234 1.160 1.00 0.00 C ATOM 149 O ARG A 10 55.005 6.074 -0.039 1.00 0.00 O ATOM 150 CB ARG A 10 57.262 6.468 2.435 1.00 0.00 C ATOM 151 CG ARG A 10 58.599 6.900 1.829 1.00 0.00 C ATOM 152 CD ARG A 10 59.330 7.821 2.808 1.00 0.00 C ATOM 153 NE ARG A 10 60.765 7.731 2.417 1.00 0.00 N ATOM 154 CZ ARG A 10 61.685 7.603 3.334 1.00 0.00 C ATOM 155 NH1 ARG A 10 61.831 6.466 3.957 1.00 0.00 N ATOM 156 NH2 ARG A 10 62.459 8.612 3.626 1.00 0.00 N ATOM 0 H ARG A 10 55.730 7.759 3.772 1.00 0.00 H new ATOM 0 HA ARG A 10 56.483 7.832 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 10 57.252 6.675 3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 10 57.127 5.393 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 10 59.211 6.025 1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 10 58.432 7.416 0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 10 58.964 8.845 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 10 59.180 7.501 3.839 1.00 0.00 H new ATOM 0 HE ARG A 10 61.028 7.769 1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 10 61.226 5.677 3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 10 62.550 6.366 4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 10 62.345 9.500 3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 10 63.178 8.513 4.343 1.00 0.00 H new ATOM 170 N LEU A 11 54.355 5.576 1.999 1.00 0.00 N ATOM 171 CA LEU A 11 53.344 4.602 1.492 1.00 0.00 C ATOM 172 C LEU A 11 52.363 5.306 0.549 1.00 0.00 C ATOM 173 O LEU A 11 51.837 4.715 -0.374 1.00 0.00 O ATOM 174 CB LEU A 11 52.628 4.096 2.751 1.00 0.00 C ATOM 175 CG LEU A 11 53.113 2.681 3.122 1.00 0.00 C ATOM 176 CD1 LEU A 11 52.494 1.660 2.169 1.00 0.00 C ATOM 177 CD2 LEU A 11 54.642 2.591 3.034 1.00 0.00 C ATOM 0 H LEU A 11 54.395 5.670 3.014 1.00 0.00 H new ATOM 0 HA LEU A 11 53.792 3.787 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 11 52.814 4.779 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 11 51.551 4.084 2.583 1.00 0.00 H new ATOM 0 HG LEU A 11 52.806 2.469 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 11 52.838 0.660 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 11 51.408 1.702 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 11 52.794 1.888 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 11 54.963 1.584 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 11 54.962 2.817 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 11 55.089 3.308 3.723 1.00 0.00 H new ATOM 189 N ALA A 12 52.119 6.569 0.766 1.00 0.00 N ATOM 190 CA ALA A 12 51.180 7.308 -0.125 1.00 0.00 C ATOM 191 C ALA A 12 51.895 7.707 -1.418 1.00 0.00 C ATOM 192 O ALA A 12 51.288 7.836 -2.463 1.00 0.00 O ATOM 193 CB ALA A 12 50.770 8.548 0.670 1.00 0.00 C ATOM 0 H ALA A 12 52.528 7.121 1.520 1.00 0.00 H new ATOM 0 HA ALA A 12 50.316 6.708 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 12 50.076 9.146 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 12 50.286 8.242 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 12 51.655 9.141 0.901 1.00 0.00 H new ATOM 199 N ALA A 13 53.185 7.898 -1.355 1.00 0.00 N ATOM 200 CA ALA A 13 53.944 8.284 -2.578 1.00 0.00 C ATOM 201 C ALA A 13 53.894 7.152 -3.608 1.00 0.00 C ATOM 202 O ALA A 13 53.899 7.385 -4.800 1.00 0.00 O ATOM 203 CB ALA A 13 55.377 8.513 -2.101 1.00 0.00 C ATOM 0 H ALA A 13 53.746 7.803 -0.508 1.00 0.00 H new ATOM 0 HA ALA A 13 53.530 9.170 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 13 56.000 8.802 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 13 55.389 9.307 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 13 55.765 7.594 -1.661 1.00 0.00 H new ATOM 209 N ILE A 14 53.842 5.928 -3.157 1.00 0.00 N ATOM 210 CA ILE A 14 53.787 4.786 -4.114 1.00 0.00 C ATOM 211 C ILE A 14 52.355 4.585 -4.622 1.00 0.00 C ATOM 212 O ILE A 14 52.119 3.834 -5.543 1.00 0.00 O ATOM 213 CB ILE A 14 54.246 3.564 -3.314 1.00 0.00 C ATOM 214 CG1 ILE A 14 55.675 3.782 -2.813 1.00 0.00 C ATOM 215 CG2 ILE A 14 53.315 3.352 -2.119 1.00 0.00 C ATOM 216 CD1 ILE A 14 56.123 2.561 -2.003 1.00 0.00 C ATOM 0 H ILE A 14 53.835 5.670 -2.170 1.00 0.00 H new ATOM 0 HA ILE A 14 54.415 4.958 -4.989 1.00 0.00 H new ATOM 0 HB ILE A 14 54.218 2.684 -3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 14 56.348 3.939 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 14 55.723 4.679 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 14 53.644 2.482 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 14 53.339 4.233 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 14 52.298 3.190 -2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 14 57.141 2.715 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 14 55.456 2.425 -1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 14 56.091 1.673 -2.635 1.00 0.00 H new ATOM 228 N LYS A 15 51.393 5.241 -4.029 1.00 0.00 N ATOM 229 CA LYS A 15 49.986 5.067 -4.492 1.00 0.00 C ATOM 230 C LYS A 15 49.739 5.851 -5.785 1.00 0.00 C ATOM 231 O LYS A 15 48.944 5.460 -6.616 1.00 0.00 O ATOM 232 CB LYS A 15 49.123 5.620 -3.359 1.00 0.00 C ATOM 233 CG LYS A 15 47.801 4.852 -3.306 1.00 0.00 C ATOM 234 CD LYS A 15 47.536 4.396 -1.871 1.00 0.00 C ATOM 235 CE LYS A 15 48.294 3.095 -1.601 1.00 0.00 C ATOM 236 NZ LYS A 15 48.522 3.084 -0.129 1.00 0.00 N ATOM 0 H LYS A 15 51.520 5.886 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 15 49.757 4.024 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 15 49.648 5.527 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 15 48.933 6.682 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 15 46.985 5.486 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 15 47.842 3.990 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 15 47.853 5.167 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 15 46.467 4.245 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 15 47.715 2.227 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 15 49.237 3.066 -2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 49.038 2.221 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 49.081 3.918 0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 47.607 3.105 0.364 1.00 0.00 H new ATOM 250 N THR A 16 50.407 6.957 -5.960 1.00 0.00 N ATOM 251 CA THR A 16 50.196 7.763 -7.200 1.00 0.00 C ATOM 252 C THR A 16 51.080 7.245 -8.340 1.00 0.00 C ATOM 253 O THR A 16 50.621 7.020 -9.444 1.00 0.00 O ATOM 254 CB THR A 16 50.600 9.188 -6.816 1.00 0.00 C ATOM 255 OG1 THR A 16 50.086 9.492 -5.527 1.00 0.00 O ATOM 256 CG2 THR A 16 50.034 10.174 -7.839 1.00 0.00 C ATOM 0 H THR A 16 51.087 7.338 -5.303 1.00 0.00 H new ATOM 0 HA THR A 16 49.166 7.707 -7.554 1.00 0.00 H new ATOM 0 HB THR A 16 51.687 9.267 -6.802 1.00 0.00 H new ATOM 0 HG1 THR A 16 50.345 10.404 -5.278 1.00 0.00 H new ATOM 0 HG21 THR A 16 50.322 11.189 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 16 50.429 9.939 -8.828 1.00 0.00 H new ATOM 0 HG23 THR A 16 48.947 10.098 -7.855 1.00 0.00 H new ATOM 264 N ARG A 17 52.345 7.058 -8.083 1.00 0.00 N ATOM 265 CA ARG A 17 53.259 6.562 -9.154 1.00 0.00 C ATOM 266 C ARG A 17 52.737 5.242 -9.729 1.00 0.00 C ATOM 267 O ARG A 17 52.629 5.072 -10.931 1.00 0.00 O ATOM 268 CB ARG A 17 54.605 6.353 -8.459 1.00 0.00 C ATOM 269 CG ARG A 17 55.470 7.603 -8.640 1.00 0.00 C ATOM 270 CD ARG A 17 54.858 8.767 -7.857 1.00 0.00 C ATOM 271 NE ARG A 17 56.018 9.622 -7.479 1.00 0.00 N ATOM 272 CZ ARG A 17 55.825 10.857 -7.102 1.00 0.00 C ATOM 273 NH1 ARG A 17 55.176 11.108 -5.997 1.00 0.00 N ATOM 274 NH2 ARG A 17 56.281 11.840 -7.828 1.00 0.00 N ATOM 0 H ARG A 17 52.786 7.227 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 17 53.335 7.260 -9.988 1.00 0.00 H new ATOM 0 HB2 ARG A 17 54.452 6.154 -7.398 1.00 0.00 H new ATOM 0 HB3 ARG A 17 55.111 5.483 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 17 56.484 7.410 -8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 17 55.540 7.859 -9.697 1.00 0.00 H new ATOM 0 HD2 ARG A 17 54.141 9.319 -8.465 1.00 0.00 H new ATOM 0 HD3 ARG A 17 54.323 8.413 -6.976 1.00 0.00 H new ATOM 0 HE ARG A 17 56.964 9.242 -7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 17 54.820 10.339 -5.429 1.00 0.00 H new ATOM 0 HH12 ARG A 17 55.025 12.073 -5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 17 56.789 11.644 -8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 17 56.130 12.805 -7.533 1.00 0.00 H new ATOM 288 N LEU A 18 52.409 4.306 -8.883 1.00 0.00 N ATOM 289 CA LEU A 18 51.892 3.005 -9.386 1.00 0.00 C ATOM 290 C LEU A 18 50.493 3.177 -9.985 1.00 0.00 C ATOM 291 O LEU A 18 49.958 2.274 -10.598 1.00 0.00 O ATOM 292 CB LEU A 18 51.857 2.086 -8.167 1.00 0.00 C ATOM 293 CG LEU A 18 52.745 0.868 -8.428 1.00 0.00 C ATOM 294 CD1 LEU A 18 54.174 1.321 -8.732 1.00 0.00 C ATOM 295 CD2 LEU A 18 52.749 -0.036 -7.196 1.00 0.00 C ATOM 0 H LEU A 18 52.477 4.386 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 18 52.518 2.596 -10.179 1.00 0.00 H new ATOM 0 HB2 LEU A 18 52.204 2.621 -7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 18 50.834 1.768 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 18 52.353 0.318 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 18 54.801 0.449 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 18 54.173 1.961 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 18 54.568 1.877 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 18 53.382 -0.903 -7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 18 53.135 0.517 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 18 51.732 -0.368 -6.985 1.00 0.00 H new ATOM 307 N GLN A 19 49.897 4.329 -9.829 1.00 0.00 N ATOM 308 CA GLN A 19 48.545 4.545 -10.412 1.00 0.00 C ATOM 309 C GLN A 19 48.657 4.635 -11.937 1.00 0.00 C ATOM 310 O GLN A 19 47.694 4.445 -12.654 1.00 0.00 O ATOM 311 CB GLN A 19 48.062 5.872 -9.826 1.00 0.00 C ATOM 312 CG GLN A 19 46.532 5.882 -9.777 1.00 0.00 C ATOM 313 CD GLN A 19 46.057 7.052 -8.913 1.00 0.00 C ATOM 314 OE1 GLN A 19 46.783 7.530 -8.064 1.00 0.00 O ATOM 315 NE2 GLN A 19 44.859 7.536 -9.095 1.00 0.00 N ATOM 0 H GLN A 19 50.287 5.125 -9.325 1.00 0.00 H new ATOM 0 HA GLN A 19 47.854 3.734 -10.183 1.00 0.00 H new ATOM 0 HB2 GLN A 19 48.469 6.009 -8.824 1.00 0.00 H new ATOM 0 HB3 GLN A 19 48.422 6.702 -10.433 1.00 0.00 H new ATOM 0 HG2 GLN A 19 46.126 5.972 -10.785 1.00 0.00 H new ATOM 0 HG3 GLN A 19 46.164 4.941 -9.368 1.00 0.00 H new ATOM 0 HE21 GLN A 19 44.250 7.135 -9.808 1.00 0.00 H new ATOM 0 HE22 GLN A 19 44.532 8.316 -8.525 1.00 0.00 H new ATOM 324 N ALA A 20 49.832 4.923 -12.438 1.00 0.00 N ATOM 325 CA ALA A 20 50.012 5.023 -13.915 1.00 0.00 C ATOM 326 C ALA A 20 50.578 3.712 -14.472 1.00 0.00 C ATOM 327 O ALA A 20 49.875 2.943 -15.096 1.00 0.00 O ATOM 328 CB ALA A 20 51.008 6.166 -14.115 1.00 0.00 C ATOM 0 H ALA A 20 50.673 5.093 -11.887 1.00 0.00 H new ATOM 0 HA ALA A 20 49.071 5.206 -14.434 1.00 0.00 H new ATOM 0 HB1 ALA A 20 51.194 6.304 -15.180 1.00 0.00 H new ATOM 0 HB2 ALA A 20 50.596 7.085 -13.697 1.00 0.00 H new ATOM 0 HB3 ALA A 20 51.944 5.925 -13.611 1.00 0.00 H new ATOM 334 N LEU A 21 51.848 3.454 -14.257 1.00 0.00 N ATOM 335 CA LEU A 21 52.468 2.202 -14.772 1.00 0.00 C ATOM 336 C LEU A 21 52.395 2.147 -16.299 1.00 0.00 C ATOM 337 O LEU A 21 52.689 1.135 -16.904 1.00 0.00 O ATOM 338 CB LEU A 21 51.697 1.059 -14.108 1.00 0.00 C ATOM 339 CG LEU A 21 51.711 1.280 -12.590 1.00 0.00 C ATOM 340 CD1 LEU A 21 50.983 0.137 -11.887 1.00 0.00 C ATOM 341 CD2 LEU A 21 53.160 1.342 -12.097 1.00 0.00 C ATOM 0 H LEU A 21 52.481 4.066 -13.742 1.00 0.00 H new ATOM 0 HA LEU A 21 53.529 2.138 -14.532 1.00 0.00 H new ATOM 0 HB2 LEU A 21 50.672 1.029 -14.477 1.00 0.00 H new ATOM 0 HB3 LEU A 21 52.153 0.100 -14.355 1.00 0.00 H new ATOM 0 HG LEU A 21 51.205 2.218 -12.362 1.00 0.00 H new ATOM 0 HD11 LEU A 21 50.999 0.304 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 21 49.950 0.096 -12.233 1.00 0.00 H new ATOM 0 HD13 LEU A 21 51.480 -0.806 -12.116 1.00 0.00 H new ATOM 0 HD21 LEU A 21 53.171 1.499 -11.018 1.00 0.00 H new ATOM 0 HD22 LEU A 21 53.665 0.405 -12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 21 53.677 2.166 -12.589 1.00 0.00 H new ATOM 353 N GLY A 22 52.069 3.244 -16.934 1.00 0.00 N ATOM 354 CA GLY A 22 52.058 3.253 -18.417 1.00 0.00 C ATOM 355 C GLY A 22 53.522 3.235 -18.834 1.00 0.00 C ATOM 356 O GLY A 22 53.913 2.606 -19.796 1.00 0.00 O ATOM 0 H GLY A 22 51.813 4.125 -16.488 1.00 0.00 H new ATOM 0 HA2 GLY A 22 51.527 2.386 -18.811 1.00 0.00 H new ATOM 0 HA3 GLY A 22 51.551 4.139 -18.800 1.00 0.00 H new ATOM 360 N GLY A 23 54.339 3.900 -18.059 1.00 0.00 N ATOM 361 CA GLY A 23 55.794 3.916 -18.323 1.00 0.00 C ATOM 362 C GLY A 23 56.379 2.657 -17.688 1.00 0.00 C ATOM 363 O GLY A 23 57.276 2.037 -18.217 1.00 0.00 O ATOM 0 H GLY A 23 54.047 4.439 -17.243 1.00 0.00 H new ATOM 0 HA2 GLY A 23 55.991 3.934 -19.395 1.00 0.00 H new ATOM 0 HA3 GLY A 23 56.253 4.810 -17.900 1.00 0.00 H new ATOM 367 N SER A 24 55.834 2.285 -16.556 1.00 0.00 N ATOM 368 CA SER A 24 56.276 1.058 -15.823 1.00 0.00 C ATOM 369 C SER A 24 57.803 0.965 -15.702 1.00 0.00 C ATOM 370 O SER A 24 58.371 1.310 -14.686 1.00 0.00 O ATOM 371 CB SER A 24 55.716 -0.114 -16.633 1.00 0.00 C ATOM 372 OG SER A 24 56.334 -0.158 -17.911 1.00 0.00 O ATOM 0 H SER A 24 55.080 2.796 -16.097 1.00 0.00 H new ATOM 0 HA SER A 24 55.911 1.065 -14.796 1.00 0.00 H new ATOM 0 HB2 SER A 24 55.891 -1.050 -16.103 1.00 0.00 H new ATOM 0 HB3 SER A 24 54.637 -0.007 -16.745 1.00 0.00 H new ATOM 0 HG SER A 24 56.633 -1.072 -18.099 1.00 0.00 H new ATOM 378 N GLU A 25 58.457 0.477 -16.722 1.00 0.00 N ATOM 379 CA GLU A 25 59.951 0.322 -16.696 1.00 0.00 C ATOM 380 C GLU A 25 60.643 1.489 -15.974 1.00 0.00 C ATOM 381 O GLU A 25 61.535 1.289 -15.176 1.00 0.00 O ATOM 382 CB GLU A 25 60.362 0.296 -18.169 1.00 0.00 C ATOM 383 CG GLU A 25 61.728 -0.380 -18.305 1.00 0.00 C ATOM 384 CD GLU A 25 62.052 -0.580 -19.787 1.00 0.00 C ATOM 385 OE1 GLU A 25 61.122 -0.740 -20.560 1.00 0.00 O ATOM 386 OE2 GLU A 25 63.225 -0.570 -20.122 1.00 0.00 O ATOM 0 H GLU A 25 58.016 0.172 -17.590 1.00 0.00 H new ATOM 0 HA GLU A 25 60.244 -0.577 -16.153 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.618 -0.242 -18.756 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.406 1.311 -18.564 1.00 0.00 H new ATOM 0 HG2 GLU A 25 62.497 0.231 -17.833 1.00 0.00 H new ATOM 0 HG3 GLU A 25 61.723 -1.341 -17.790 1.00 0.00 H new ATOM 393 N ALA A 26 60.246 2.701 -16.246 1.00 0.00 N ATOM 394 CA ALA A 26 60.894 3.864 -15.565 1.00 0.00 C ATOM 395 C ALA A 26 60.084 4.298 -14.335 1.00 0.00 C ATOM 396 O ALA A 26 60.483 5.179 -13.598 1.00 0.00 O ATOM 397 CB ALA A 26 60.906 4.976 -16.614 1.00 0.00 C ATOM 0 H ALA A 26 59.506 2.939 -16.906 1.00 0.00 H new ATOM 0 HA ALA A 26 61.894 3.620 -15.208 1.00 0.00 H new ATOM 0 HB1 ALA A 26 61.367 5.869 -16.192 1.00 0.00 H new ATOM 0 HB2 ALA A 26 61.476 4.649 -17.484 1.00 0.00 H new ATOM 0 HB3 ALA A 26 59.883 5.204 -16.915 1.00 0.00 H new ATOM 403 N GLU A 27 58.945 3.701 -14.118 1.00 0.00 N ATOM 404 CA GLU A 27 58.099 4.086 -12.952 1.00 0.00 C ATOM 405 C GLU A 27 58.351 3.164 -11.751 1.00 0.00 C ATOM 406 O GLU A 27 58.971 3.540 -10.764 1.00 0.00 O ATOM 407 CB GLU A 27 56.669 3.909 -13.463 1.00 0.00 C ATOM 408 CG GLU A 27 56.051 5.279 -13.751 1.00 0.00 C ATOM 409 CD GLU A 27 55.967 6.086 -12.455 1.00 0.00 C ATOM 410 OE1 GLU A 27 56.000 5.479 -11.398 1.00 0.00 O ATOM 411 OE2 GLU A 27 55.870 7.300 -12.541 1.00 0.00 O ATOM 0 H GLU A 27 58.561 2.958 -14.702 1.00 0.00 H new ATOM 0 HA GLU A 27 58.311 5.098 -12.606 1.00 0.00 H new ATOM 0 HB2 GLU A 27 56.669 3.302 -14.368 1.00 0.00 H new ATOM 0 HB3 GLU A 27 56.071 3.378 -12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 27 56.653 5.814 -14.486 1.00 0.00 H new ATOM 0 HG3 GLU A 27 55.057 5.158 -14.181 1.00 0.00 H new ATOM 418 N LEU A 28 57.864 1.956 -11.813 1.00 0.00 N ATOM 419 CA LEU A 28 58.060 1.034 -10.666 1.00 0.00 C ATOM 420 C LEU A 28 59.445 0.372 -10.700 1.00 0.00 C ATOM 421 O LEU A 28 59.704 -0.570 -9.977 1.00 0.00 O ATOM 422 CB LEU A 28 56.934 0.007 -10.757 1.00 0.00 C ATOM 423 CG LEU A 28 57.102 -0.857 -12.001 1.00 0.00 C ATOM 424 CD1 LEU A 28 56.937 -2.322 -11.610 1.00 0.00 C ATOM 425 CD2 LEU A 28 56.026 -0.486 -13.018 1.00 0.00 C ATOM 0 H LEU A 28 57.344 1.572 -12.602 1.00 0.00 H new ATOM 0 HA LEU A 28 58.024 1.570 -9.718 1.00 0.00 H new ATOM 0 HB2 LEU A 28 56.934 -0.622 -9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 28 55.971 0.516 -10.787 1.00 0.00 H new ATOM 0 HG LEU A 28 58.089 -0.696 -12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 28 57.055 -2.950 -12.493 1.00 0.00 H new ATOM 0 HD12 LEU A 28 57.693 -2.589 -10.871 1.00 0.00 H new ATOM 0 HD13 LEU A 28 55.945 -2.476 -11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 28 56.141 -1.101 -13.910 1.00 0.00 H new ATOM 0 HD22 LEU A 28 55.041 -0.657 -12.584 1.00 0.00 H new ATOM 0 HD23 LEU A 28 56.126 0.566 -13.287 1.00 0.00 H new ATOM 437 N ALA A 29 60.359 0.884 -11.482 1.00 0.00 N ATOM 438 CA ALA A 29 61.727 0.306 -11.472 1.00 0.00 C ATOM 439 C ALA A 29 62.385 0.789 -10.182 1.00 0.00 C ATOM 440 O ALA A 29 62.945 0.026 -9.411 1.00 0.00 O ATOM 441 CB ALA A 29 62.431 0.887 -12.699 1.00 0.00 C ATOM 0 H ALA A 29 60.217 1.668 -12.119 1.00 0.00 H new ATOM 0 HA ALA A 29 61.757 -0.783 -11.508 1.00 0.00 H new ATOM 0 HB1 ALA A 29 63.449 0.500 -12.752 1.00 0.00 H new ATOM 0 HB2 ALA A 29 61.887 0.602 -13.600 1.00 0.00 H new ATOM 0 HB3 ALA A 29 62.460 1.974 -12.621 1.00 0.00 H new ATOM 447 N ALA A 30 62.263 2.064 -9.923 1.00 0.00 N ATOM 448 CA ALA A 30 62.817 2.624 -8.669 1.00 0.00 C ATOM 449 C ALA A 30 62.013 2.059 -7.501 1.00 0.00 C ATOM 450 O ALA A 30 62.509 1.922 -6.401 1.00 0.00 O ATOM 451 CB ALA A 30 62.624 4.136 -8.782 1.00 0.00 C ATOM 0 H ALA A 30 61.801 2.739 -10.532 1.00 0.00 H new ATOM 0 HA ALA A 30 63.867 2.378 -8.510 1.00 0.00 H new ATOM 0 HB1 ALA A 30 63.012 4.620 -7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 30 63.160 4.507 -9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 30 61.562 4.361 -8.885 1.00 0.00 H new ATOM 457 N PHE A 31 60.770 1.701 -7.742 1.00 0.00 N ATOM 458 CA PHE A 31 59.938 1.108 -6.646 1.00 0.00 C ATOM 459 C PHE A 31 60.719 -0.015 -5.959 1.00 0.00 C ATOM 460 O PHE A 31 60.916 -0.010 -4.763 1.00 0.00 O ATOM 461 CB PHE A 31 58.721 0.515 -7.348 1.00 0.00 C ATOM 462 CG PHE A 31 57.466 1.246 -6.954 1.00 0.00 C ATOM 463 CD1 PHE A 31 57.162 2.493 -7.543 1.00 0.00 C ATOM 464 CD2 PHE A 31 56.579 0.668 -6.020 1.00 0.00 C ATOM 465 CE1 PHE A 31 55.967 3.161 -7.199 1.00 0.00 C ATOM 466 CE2 PHE A 31 55.389 1.339 -5.671 1.00 0.00 C ATOM 467 CZ PHE A 31 55.082 2.583 -6.263 1.00 0.00 C ATOM 0 H PHE A 31 60.301 1.794 -8.643 1.00 0.00 H new ATOM 0 HA PHE A 31 59.666 1.846 -5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 31 58.856 0.571 -8.428 1.00 0.00 H new ATOM 0 HB3 PHE A 31 58.627 -0.541 -7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 31 57.843 2.935 -8.256 1.00 0.00 H new ATOM 0 HD2 PHE A 31 56.812 -0.287 -5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 31 55.730 4.113 -7.651 1.00 0.00 H new ATOM 0 HE2 PHE A 31 54.713 0.901 -4.951 1.00 0.00 H new ATOM 0 HZ PHE A 31 54.168 3.094 -5.999 1.00 0.00 H new ATOM 477 N GLU A 32 61.166 -0.981 -6.723 1.00 0.00 N ATOM 478 CA GLU A 32 61.940 -2.113 -6.133 1.00 0.00 C ATOM 479 C GLU A 32 63.057 -1.570 -5.244 1.00 0.00 C ATOM 480 O GLU A 32 63.296 -2.062 -4.160 1.00 0.00 O ATOM 481 CB GLU A 32 62.524 -2.865 -7.329 1.00 0.00 C ATOM 482 CG GLU A 32 61.664 -4.094 -7.628 1.00 0.00 C ATOM 483 CD GLU A 32 62.127 -5.264 -6.757 1.00 0.00 C ATOM 484 OE1 GLU A 32 63.327 -5.443 -6.628 1.00 0.00 O ATOM 485 OE2 GLU A 32 61.273 -5.962 -6.235 1.00 0.00 O ATOM 0 H GLU A 32 61.027 -1.033 -7.732 1.00 0.00 H new ATOM 0 HA GLU A 32 61.320 -2.761 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 32 62.559 -2.212 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 32 63.549 -3.168 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 32 60.615 -3.873 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 32 61.742 -4.358 -8.683 1.00 0.00 H new ATOM 492 N LYS A 33 63.735 -0.547 -5.688 1.00 0.00 N ATOM 493 CA LYS A 33 64.824 0.030 -4.849 1.00 0.00 C ATOM 494 C LYS A 33 64.238 0.583 -3.542 1.00 0.00 C ATOM 495 O LYS A 33 64.944 0.803 -2.577 1.00 0.00 O ATOM 496 CB LYS A 33 65.421 1.157 -5.692 1.00 0.00 C ATOM 497 CG LYS A 33 66.792 0.728 -6.219 1.00 0.00 C ATOM 498 CD LYS A 33 67.562 1.959 -6.701 1.00 0.00 C ATOM 499 CE LYS A 33 68.468 2.467 -5.577 1.00 0.00 C ATOM 500 NZ LYS A 33 69.855 2.258 -6.082 1.00 0.00 N ATOM 0 H LYS A 33 63.584 -0.089 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 33 65.576 -0.710 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 33 64.758 1.394 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 33 65.517 2.062 -5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 33 67.352 0.220 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 33 66.673 0.017 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 33 68.159 1.708 -7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 33 66.866 2.741 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 33 68.280 3.519 -5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 33 68.297 1.917 -4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 70.537 2.582 -5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 70.007 1.247 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 69.990 2.799 -6.960 1.00 0.00 H new ATOM 514 N GLU A 34 62.949 0.809 -3.506 1.00 0.00 N ATOM 515 CA GLU A 34 62.315 1.347 -2.267 1.00 0.00 C ATOM 516 C GLU A 34 62.066 0.219 -1.261 1.00 0.00 C ATOM 517 O GLU A 34 62.701 0.155 -0.228 1.00 0.00 O ATOM 518 CB GLU A 34 60.991 1.952 -2.733 1.00 0.00 C ATOM 519 CG GLU A 34 60.872 3.383 -2.206 1.00 0.00 C ATOM 520 CD GLU A 34 61.549 4.344 -3.185 1.00 0.00 C ATOM 521 OE1 GLU A 34 62.410 3.897 -3.923 1.00 0.00 O ATOM 522 OE2 GLU A 34 61.193 5.511 -3.179 1.00 0.00 O ATOM 0 H GLU A 34 62.309 0.644 -4.283 1.00 0.00 H new ATOM 0 HA GLU A 34 62.947 2.081 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 34 60.940 1.948 -3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 34 60.157 1.350 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 34 59.823 3.651 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 34 61.337 3.460 -1.223 1.00 0.00 H new ATOM 529 N ILE A 35 61.137 -0.661 -1.554 1.00 0.00 N ATOM 530 CA ILE A 35 60.830 -1.797 -0.601 1.00 0.00 C ATOM 531 C ILE A 35 62.129 -2.406 -0.054 1.00 0.00 C ATOM 532 O ILE A 35 62.165 -2.926 1.044 1.00 0.00 O ATOM 533 CB ILE A 35 60.011 -2.896 -1.344 1.00 0.00 C ATOM 534 CG1 ILE A 35 58.675 -3.081 -0.622 1.00 0.00 C ATOM 535 CG2 ILE A 35 59.724 -2.556 -2.815 1.00 0.00 C ATOM 536 CD1 ILE A 35 57.869 -1.782 -0.695 1.00 0.00 C ATOM 0 H ILE A 35 60.576 -0.649 -2.406 1.00 0.00 H new ATOM 0 HA ILE A 35 60.248 -1.406 0.233 1.00 0.00 H new ATOM 0 HB ILE A 35 60.614 -3.804 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 35 58.113 -3.896 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 35 58.847 -3.356 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 35 59.151 -3.364 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 35 59.152 -1.630 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 35 60.665 -2.433 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 35 56.917 -1.915 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 35 58.430 -0.978 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 35 57.685 -1.526 -1.738 1.00 0.00 H new ATOM 548 N ALA A 36 63.201 -2.333 -0.797 1.00 0.00 N ATOM 549 CA ALA A 36 64.488 -2.892 -0.293 1.00 0.00 C ATOM 550 C ALA A 36 64.947 -2.079 0.919 1.00 0.00 C ATOM 551 O ALA A 36 65.306 -2.620 1.949 1.00 0.00 O ATOM 552 CB ALA A 36 65.474 -2.738 -1.452 1.00 0.00 C ATOM 0 H ALA A 36 63.241 -1.913 -1.726 1.00 0.00 H new ATOM 0 HA ALA A 36 64.404 -3.932 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 36 66.448 -3.129 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 36 65.108 -3.292 -2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 36 65.570 -1.683 -1.711 1.00 0.00 H new ATOM 558 N ALA A 37 64.918 -0.779 0.808 1.00 0.00 N ATOM 559 CA ALA A 37 65.331 0.075 1.956 1.00 0.00 C ATOM 560 C ALA A 37 64.228 0.097 3.024 1.00 0.00 C ATOM 561 O ALA A 37 64.382 0.692 4.072 1.00 0.00 O ATOM 562 CB ALA A 37 65.530 1.470 1.361 1.00 0.00 C ATOM 0 H ALA A 37 64.626 -0.272 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 37 66.235 -0.294 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 37 65.836 2.160 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 37 66.301 1.431 0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 37 64.595 1.814 0.920 1.00 0.00 H new ATOM 568 N PHE A 38 63.116 -0.548 2.770 1.00 0.00 N ATOM 569 CA PHE A 38 62.015 -0.562 3.774 1.00 0.00 C ATOM 570 C PHE A 38 62.313 -1.597 4.860 1.00 0.00 C ATOM 571 O PHE A 38 61.803 -1.522 5.957 1.00 0.00 O ATOM 572 CB PHE A 38 60.767 -0.961 2.987 1.00 0.00 C ATOM 573 CG PHE A 38 59.869 0.240 2.819 1.00 0.00 C ATOM 574 CD1 PHE A 38 60.380 1.433 2.261 1.00 0.00 C ATOM 575 CD2 PHE A 38 58.516 0.169 3.217 1.00 0.00 C ATOM 576 CE1 PHE A 38 59.538 2.556 2.101 1.00 0.00 C ATOM 577 CE2 PHE A 38 57.673 1.291 3.057 1.00 0.00 C ATOM 578 CZ PHE A 38 58.184 2.485 2.500 1.00 0.00 C ATOM 0 H PHE A 38 62.926 -1.064 1.911 1.00 0.00 H new ATOM 0 HA PHE A 38 61.893 0.401 4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 38 61.051 -1.355 2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 38 60.234 -1.756 3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 38 61.415 1.487 1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 38 58.126 -0.743 3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.929 3.468 1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 38 56.638 1.236 3.360 1.00 0.00 H new ATOM 0 HZ PHE A 38 57.540 3.343 2.379 1.00 0.00 H new ATOM 588 N GLU A 39 63.138 -2.561 4.563 1.00 0.00 N ATOM 589 CA GLU A 39 63.469 -3.595 5.583 1.00 0.00 C ATOM 590 C GLU A 39 64.719 -3.175 6.360 1.00 0.00 C ATOM 591 O GLU A 39 64.726 -3.142 7.576 1.00 0.00 O ATOM 592 CB GLU A 39 63.734 -4.873 4.785 1.00 0.00 C ATOM 593 CG GLU A 39 63.793 -6.068 5.739 1.00 0.00 C ATOM 594 CD GLU A 39 63.515 -7.356 4.961 1.00 0.00 C ATOM 595 OE1 GLU A 39 62.402 -7.509 4.485 1.00 0.00 O ATOM 596 OE2 GLU A 39 64.420 -8.167 4.855 1.00 0.00 O ATOM 0 H GLU A 39 63.597 -2.678 3.660 1.00 0.00 H new ATOM 0 HA GLU A 39 62.669 -3.734 6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 39 62.947 -5.023 4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 39 64.672 -4.785 4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 39 64.773 -6.121 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 39 63.060 -5.947 6.537 1.00 0.00 H new ATOM 603 N SER A 40 65.776 -2.850 5.667 1.00 0.00 N ATOM 604 CA SER A 40 67.023 -2.428 6.367 1.00 0.00 C ATOM 605 C SER A 40 66.754 -1.193 7.233 1.00 0.00 C ATOM 606 O SER A 40 67.381 -0.988 8.254 1.00 0.00 O ATOM 607 CB SER A 40 68.011 -2.094 5.249 1.00 0.00 C ATOM 608 OG SER A 40 68.434 -3.293 4.617 1.00 0.00 O ATOM 0 H SER A 40 65.830 -2.858 4.648 1.00 0.00 H new ATOM 0 HA SER A 40 67.405 -3.203 7.031 1.00 0.00 H new ATOM 0 HB2 SER A 40 67.542 -1.432 4.521 1.00 0.00 H new ATOM 0 HB3 SER A 40 68.871 -1.562 5.656 1.00 0.00 H new ATOM 0 HG SER A 40 69.066 -3.079 3.899 1.00 0.00 H new ATOM 614 N GLU A 41 65.826 -0.368 6.833 1.00 0.00 N ATOM 615 CA GLU A 41 65.518 0.855 7.630 1.00 0.00 C ATOM 616 C GLU A 41 64.465 0.546 8.699 1.00 0.00 C ATOM 617 O GLU A 41 64.482 1.108 9.775 1.00 0.00 O ATOM 618 CB GLU A 41 64.973 1.861 6.615 1.00 0.00 C ATOM 619 CG GLU A 41 65.177 3.282 7.145 1.00 0.00 C ATOM 620 CD GLU A 41 63.908 4.103 6.905 1.00 0.00 C ATOM 621 OE1 GLU A 41 63.221 3.825 5.936 1.00 0.00 O ATOM 622 OE2 GLU A 41 63.646 4.996 7.694 1.00 0.00 O ATOM 0 H GLU A 41 65.267 -0.487 5.988 1.00 0.00 H new ATOM 0 HA GLU A 41 66.395 1.236 8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 41 65.483 1.741 5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 41 63.914 1.676 6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 41 65.409 3.255 8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 41 66.025 3.750 6.645 1.00 0.00 H new ATOM 629 N LEU A 42 63.551 -0.344 8.410 1.00 0.00 N ATOM 630 CA LEU A 42 62.491 -0.696 9.408 1.00 0.00 C ATOM 631 C LEU A 42 63.099 -0.923 10.795 1.00 0.00 C ATOM 632 O LEU A 42 62.479 -0.656 11.806 1.00 0.00 O ATOM 633 CB LEU A 42 61.867 -1.990 8.880 1.00 0.00 C ATOM 634 CG LEU A 42 60.362 -1.795 8.651 1.00 0.00 C ATOM 635 CD1 LEU A 42 60.111 -0.567 7.768 1.00 0.00 C ATOM 636 CD2 LEU A 42 59.789 -3.037 7.965 1.00 0.00 C ATOM 0 H LEU A 42 63.491 -0.845 7.523 1.00 0.00 H new ATOM 0 HA LEU A 42 61.757 0.102 9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 42 62.350 -2.281 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 42 62.033 -2.799 9.591 1.00 0.00 H new ATOM 0 HG LEU A 42 59.875 -1.643 9.614 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.039 -0.442 7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 42 60.514 0.321 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.602 -0.705 6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 42 58.720 -2.901 7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.287 -3.186 7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 42 59.951 -3.910 8.598 1.00 0.00 H new ATOM 648 N GLN A 43 64.307 -1.409 10.854 1.00 0.00 N ATOM 649 CA GLN A 43 64.947 -1.646 12.179 1.00 0.00 C ATOM 650 C GLN A 43 65.815 -0.447 12.571 1.00 0.00 C ATOM 651 O GLN A 43 66.006 -0.161 13.736 1.00 0.00 O ATOM 652 CB GLN A 43 65.811 -2.891 11.985 1.00 0.00 C ATOM 653 CG GLN A 43 65.203 -4.060 12.762 1.00 0.00 C ATOM 654 CD GLN A 43 65.572 -5.376 12.076 1.00 0.00 C ATOM 655 OE1 GLN A 43 65.168 -5.626 10.957 1.00 0.00 O ATOM 656 NE2 GLN A 43 66.329 -6.234 12.702 1.00 0.00 N ATOM 0 H GLN A 43 64.878 -1.652 10.045 1.00 0.00 H new ATOM 0 HA GLN A 43 64.212 -1.779 12.973 1.00 0.00 H new ATOM 0 HB2 GLN A 43 65.877 -3.140 10.926 1.00 0.00 H new ATOM 0 HB3 GLN A 43 66.827 -2.699 12.331 1.00 0.00 H new ATOM 0 HG2 GLN A 43 65.569 -4.058 13.789 1.00 0.00 H new ATOM 0 HG3 GLN A 43 64.119 -3.954 12.810 1.00 0.00 H new ATOM 0 HE21 GLN A 43 66.668 -6.025 13.641 1.00 0.00 H new ATOM 0 HE22 GLN A 43 66.582 -7.114 12.253 1.00 0.00 H new ATOM 665 N ALA A 44 66.349 0.249 11.606 1.00 0.00 N ATOM 666 CA ALA A 44 67.214 1.422 11.923 1.00 0.00 C ATOM 667 C ALA A 44 66.415 2.731 11.882 1.00 0.00 C ATOM 668 O ALA A 44 66.976 3.805 11.961 1.00 0.00 O ATOM 669 CB ALA A 44 68.283 1.422 10.833 1.00 0.00 C ATOM 0 H ALA A 44 66.225 0.057 10.612 1.00 0.00 H new ATOM 0 HA ALA A 44 67.635 1.352 12.926 1.00 0.00 H new ATOM 0 HB1 ALA A 44 68.965 2.258 10.992 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.841 0.486 10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 44 67.808 1.522 9.857 1.00 0.00 H new ATOM 675 N TYR A 45 65.116 2.661 11.753 1.00 0.00 N ATOM 676 CA TYR A 45 64.317 3.921 11.702 1.00 0.00 C ATOM 677 C TYR A 45 64.120 4.497 13.115 1.00 0.00 C ATOM 678 O TYR A 45 63.758 5.645 13.281 1.00 0.00 O ATOM 679 CB TYR A 45 62.982 3.535 11.026 1.00 0.00 C ATOM 680 CG TYR A 45 61.944 3.094 12.038 1.00 0.00 C ATOM 681 CD1 TYR A 45 62.150 1.930 12.812 1.00 0.00 C ATOM 682 CD2 TYR A 45 60.764 3.852 12.202 1.00 0.00 C ATOM 683 CE1 TYR A 45 61.173 1.526 13.751 1.00 0.00 C ATOM 684 CE2 TYR A 45 59.788 3.449 13.139 1.00 0.00 C ATOM 685 CZ TYR A 45 59.992 2.287 13.913 1.00 0.00 C ATOM 686 OH TYR A 45 59.037 1.894 14.829 1.00 0.00 O ATOM 0 H TYR A 45 64.579 1.797 11.681 1.00 0.00 H new ATOM 0 HA TYR A 45 64.817 4.709 11.138 1.00 0.00 H new ATOM 0 HB2 TYR A 45 62.601 4.386 10.462 1.00 0.00 H new ATOM 0 HB3 TYR A 45 63.156 2.731 10.311 1.00 0.00 H new ATOM 0 HD1 TYR A 45 63.052 1.350 12.687 1.00 0.00 H new ATOM 0 HD2 TYR A 45 60.608 4.741 11.610 1.00 0.00 H new ATOM 0 HE1 TYR A 45 61.329 0.637 14.344 1.00 0.00 H new ATOM 0 HE2 TYR A 45 58.886 4.030 13.263 1.00 0.00 H new ATOM 0 HH TYR A 45 58.598 1.077 14.513 1.00 0.00 H new ATOM 696 N LYS A 46 64.360 3.711 14.129 1.00 0.00 N ATOM 697 CA LYS A 46 64.194 4.215 15.520 1.00 0.00 C ATOM 698 C LYS A 46 65.008 3.336 16.463 1.00 0.00 C ATOM 699 O LYS A 46 65.917 2.647 16.043 1.00 0.00 O ATOM 700 CB LYS A 46 62.698 4.084 15.813 1.00 0.00 C ATOM 701 CG LYS A 46 62.231 5.277 16.650 1.00 0.00 C ATOM 702 CD LYS A 46 60.821 5.007 17.179 1.00 0.00 C ATOM 703 CE LYS A 46 60.888 4.689 18.674 1.00 0.00 C ATOM 704 NZ LYS A 46 59.931 3.564 18.869 1.00 0.00 N ATOM 0 H LYS A 46 64.664 2.740 14.053 1.00 0.00 H new ATOM 0 HA LYS A 46 64.535 5.242 15.648 1.00 0.00 H new ATOM 0 HB2 LYS A 46 62.137 4.040 14.879 1.00 0.00 H new ATOM 0 HB3 LYS A 46 62.502 3.154 16.346 1.00 0.00 H new ATOM 0 HG2 LYS A 46 62.917 5.443 17.481 1.00 0.00 H new ATOM 0 HG3 LYS A 46 62.237 6.184 16.045 1.00 0.00 H new ATOM 0 HD2 LYS A 46 60.185 5.876 17.010 1.00 0.00 H new ATOM 0 HD3 LYS A 46 60.372 4.173 16.639 1.00 0.00 H new ATOM 0 HE2 LYS A 46 61.897 4.406 18.973 1.00 0.00 H new ATOM 0 HE3 LYS A 46 60.609 5.554 19.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 59.920 3.288 19.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 58.978 3.865 18.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 60.226 2.752 18.290 1.00 0.00 H new ATOM 718 N GLY A 47 64.689 3.325 17.730 1.00 0.00 N ATOM 719 CA GLY A 47 65.454 2.453 18.667 1.00 0.00 C ATOM 720 C GLY A 47 65.424 1.026 18.116 1.00 0.00 C ATOM 721 O GLY A 47 66.442 0.380 17.977 1.00 0.00 O ATOM 0 H GLY A 47 63.941 3.875 18.152 1.00 0.00 H new ATOM 0 HA2 GLY A 47 66.482 2.804 18.761 1.00 0.00 H new ATOM 0 HA3 GLY A 47 65.014 2.486 19.664 1.00 0.00 H new ATOM 725 N LYS A 48 64.248 0.557 17.778 1.00 0.00 N ATOM 726 CA LYS A 48 64.080 -0.816 17.201 1.00 0.00 C ATOM 727 C LYS A 48 62.591 -1.160 17.154 1.00 0.00 C ATOM 728 O LYS A 48 62.158 -2.169 17.673 1.00 0.00 O ATOM 729 CB LYS A 48 64.823 -1.788 18.127 1.00 0.00 C ATOM 730 CG LYS A 48 64.435 -1.540 19.590 1.00 0.00 C ATOM 731 CD LYS A 48 65.594 -1.957 20.498 1.00 0.00 C ATOM 732 CE LYS A 48 65.156 -3.125 21.384 1.00 0.00 C ATOM 733 NZ LYS A 48 66.426 -3.694 21.918 1.00 0.00 N ATOM 0 H LYS A 48 63.378 1.079 17.880 1.00 0.00 H new ATOM 0 HA LYS A 48 64.479 -0.877 16.189 1.00 0.00 H new ATOM 0 HB2 LYS A 48 64.586 -2.815 17.851 1.00 0.00 H new ATOM 0 HB3 LYS A 48 65.899 -1.665 18.004 1.00 0.00 H new ATOM 0 HG2 LYS A 48 64.199 -0.487 19.742 1.00 0.00 H new ATOM 0 HG3 LYS A 48 63.539 -2.107 19.842 1.00 0.00 H new ATOM 0 HD2 LYS A 48 66.455 -2.247 19.896 1.00 0.00 H new ATOM 0 HD3 LYS A 48 65.906 -1.115 21.116 1.00 0.00 H new ATOM 0 HE2 LYS A 48 64.504 -2.788 22.190 1.00 0.00 H new ATOM 0 HE3 LYS A 48 64.599 -3.868 20.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 66.211 -4.502 22.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 67.023 -4.012 21.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 66.931 -2.966 22.462 1.00 0.00 H new ATOM 747 N GLY A 49 61.803 -0.319 16.540 1.00 0.00 N ATOM 748 CA GLY A 49 60.339 -0.586 16.464 1.00 0.00 C ATOM 749 C GLY A 49 60.090 -1.910 15.743 1.00 0.00 C ATOM 750 O GLY A 49 59.978 -1.959 14.534 1.00 0.00 O ATOM 0 H GLY A 49 62.111 0.542 16.088 1.00 0.00 H new ATOM 0 HA2 GLY A 49 59.914 -0.622 17.467 1.00 0.00 H new ATOM 0 HA3 GLY A 49 59.839 0.226 15.936 1.00 0.00 H new ATOM 754 N ASN A 50 59.998 -2.985 16.477 1.00 0.00 N ATOM 755 CA ASN A 50 59.759 -4.308 15.834 1.00 0.00 C ATOM 756 C ASN A 50 58.255 -4.554 15.653 1.00 0.00 C ATOM 757 O ASN A 50 57.825 -4.915 14.577 1.00 0.00 O ATOM 758 CB ASN A 50 60.356 -5.331 16.800 1.00 0.00 C ATOM 759 CG ASN A 50 61.702 -5.817 16.261 1.00 0.00 C ATOM 760 OD1 ASN A 50 61.772 -6.386 15.189 1.00 0.00 O ATOM 761 ND2 ASN A 50 62.783 -5.617 16.965 1.00 0.00 N ATOM 0 H ASN A 50 60.078 -3.004 17.494 1.00 0.00 H new ATOM 0 HA ASN A 50 60.209 -4.369 14.843 1.00 0.00 H new ATOM 0 HB2 ASN A 50 60.487 -4.883 17.785 1.00 0.00 H new ATOM 0 HB3 ASN A 50 59.675 -6.173 16.921 1.00 0.00 H new ATOM 0 HD21 ASN A 50 63.686 -5.938 16.616 1.00 0.00 H new ATOM 0 HD22 ASN A 50 62.725 -5.140 17.865 1.00 0.00 H new ATOM 768 N PRO A 51 57.497 -4.347 16.703 1.00 0.00 N ATOM 769 CA PRO A 51 56.034 -4.549 16.621 1.00 0.00 C ATOM 770 C PRO A 51 55.378 -3.326 15.972 1.00 0.00 C ATOM 771 O PRO A 51 54.498 -3.441 15.135 1.00 0.00 O ATOM 772 CB PRO A 51 55.608 -4.687 18.078 1.00 0.00 C ATOM 773 CG PRO A 51 56.655 -3.965 18.872 1.00 0.00 C ATOM 774 CD PRO A 51 57.917 -3.913 18.042 1.00 0.00 C ATOM 0 HA PRO A 51 55.746 -5.412 16.020 1.00 0.00 H new ATOM 0 HB2 PRO A 51 54.622 -4.252 18.241 1.00 0.00 H new ATOM 0 HB3 PRO A 51 55.546 -5.735 18.371 1.00 0.00 H new ATOM 0 HG2 PRO A 51 56.319 -2.958 19.119 1.00 0.00 H new ATOM 0 HG3 PRO A 51 56.840 -4.479 19.815 1.00 0.00 H new ATOM 0 HD2 PRO A 51 58.336 -2.907 18.020 1.00 0.00 H new ATOM 0 HD3 PRO A 51 58.686 -4.569 18.449 1.00 0.00 H new ATOM 782 N GLU A 52 55.808 -2.152 16.352 1.00 0.00 N ATOM 783 CA GLU A 52 55.225 -0.912 15.768 1.00 0.00 C ATOM 784 C GLU A 52 55.264 -0.974 14.240 1.00 0.00 C ATOM 785 O GLU A 52 54.240 -1.023 13.588 1.00 0.00 O ATOM 786 CB GLU A 52 56.113 0.222 16.282 1.00 0.00 C ATOM 787 CG GLU A 52 55.766 0.519 17.742 1.00 0.00 C ATOM 788 CD GLU A 52 55.786 2.031 17.974 1.00 0.00 C ATOM 789 OE1 GLU A 52 54.754 2.653 17.782 1.00 0.00 O ATOM 790 OE2 GLU A 52 56.833 2.541 18.338 1.00 0.00 O ATOM 0 H GLU A 52 56.541 -2.000 17.045 1.00 0.00 H new ATOM 0 HA GLU A 52 54.181 -0.774 16.051 1.00 0.00 H new ATOM 0 HB2 GLU A 52 57.163 -0.057 16.196 1.00 0.00 H new ATOM 0 HB3 GLU A 52 55.969 1.115 15.674 1.00 0.00 H new ATOM 0 HG2 GLU A 52 54.782 0.117 17.982 1.00 0.00 H new ATOM 0 HG3 GLU A 52 56.481 0.029 18.404 1.00 0.00 H new ATOM 797 N VAL A 53 56.434 -0.969 13.657 1.00 0.00 N ATOM 798 CA VAL A 53 56.512 -1.026 12.169 1.00 0.00 C ATOM 799 C VAL A 53 56.146 -2.431 11.664 1.00 0.00 C ATOM 800 O VAL A 53 56.015 -2.655 10.477 1.00 0.00 O ATOM 801 CB VAL A 53 57.964 -0.657 11.827 1.00 0.00 C ATOM 802 CG1 VAL A 53 58.902 -1.841 12.095 1.00 0.00 C ATOM 803 CG2 VAL A 53 58.045 -0.264 10.351 1.00 0.00 C ATOM 0 H VAL A 53 57.330 -0.928 14.142 1.00 0.00 H new ATOM 0 HA VAL A 53 55.810 -0.344 11.690 1.00 0.00 H new ATOM 0 HB VAL A 53 58.274 0.178 12.455 1.00 0.00 H new ATOM 0 HG11 VAL A 53 59.925 -1.558 11.846 1.00 0.00 H new ATOM 0 HG12 VAL A 53 58.848 -2.117 13.148 1.00 0.00 H new ATOM 0 HG13 VAL A 53 58.601 -2.690 11.481 1.00 0.00 H new ATOM 0 HG21 VAL A 53 59.073 -0.001 10.100 1.00 0.00 H new ATOM 0 HG22 VAL A 53 57.724 -1.103 9.733 1.00 0.00 H new ATOM 0 HG23 VAL A 53 57.396 0.592 10.166 1.00 0.00 H new ATOM 813 N GLU A 54 55.973 -3.379 12.552 1.00 0.00 N ATOM 814 CA GLU A 54 55.609 -4.757 12.109 1.00 0.00 C ATOM 815 C GLU A 54 54.406 -4.699 11.170 1.00 0.00 C ATOM 816 O GLU A 54 54.405 -5.290 10.109 1.00 0.00 O ATOM 817 CB GLU A 54 55.246 -5.507 13.388 1.00 0.00 C ATOM 818 CG GLU A 54 55.765 -6.943 13.304 1.00 0.00 C ATOM 819 CD GLU A 54 56.350 -7.355 14.656 1.00 0.00 C ATOM 820 OE1 GLU A 54 55.575 -7.571 15.573 1.00 0.00 O ATOM 821 OE2 GLU A 54 57.563 -7.449 14.751 1.00 0.00 O ATOM 0 H GLU A 54 56.068 -3.257 13.560 1.00 0.00 H new ATOM 0 HA GLU A 54 56.421 -5.245 11.569 1.00 0.00 H new ATOM 0 HB2 GLU A 54 55.678 -5.003 14.252 1.00 0.00 H new ATOM 0 HB3 GLU A 54 54.165 -5.508 13.527 1.00 0.00 H new ATOM 0 HG2 GLU A 54 54.955 -7.618 13.025 1.00 0.00 H new ATOM 0 HG3 GLU A 54 56.526 -7.021 12.528 1.00 0.00 H new ATOM 828 N ALA A 55 53.383 -3.980 11.548 1.00 0.00 N ATOM 829 CA ALA A 55 52.186 -3.877 10.664 1.00 0.00 C ATOM 830 C ALA A 55 52.617 -3.438 9.264 1.00 0.00 C ATOM 831 O ALA A 55 52.046 -3.843 8.271 1.00 0.00 O ATOM 832 CB ALA A 55 51.299 -2.815 11.310 1.00 0.00 C ATOM 0 H ALA A 55 53.324 -3.463 12.425 1.00 0.00 H new ATOM 0 HA ALA A 55 51.662 -4.827 10.560 1.00 0.00 H new ATOM 0 HB1 ALA A 55 50.396 -2.684 10.714 1.00 0.00 H new ATOM 0 HB2 ALA A 55 51.026 -3.132 12.317 1.00 0.00 H new ATOM 0 HB3 ALA A 55 51.841 -1.870 11.361 1.00 0.00 H new ATOM 838 N LEU A 56 53.632 -2.620 9.179 1.00 0.00 N ATOM 839 CA LEU A 56 54.110 -2.167 7.843 1.00 0.00 C ATOM 840 C LEU A 56 54.863 -3.299 7.134 1.00 0.00 C ATOM 841 O LEU A 56 55.260 -3.169 5.994 1.00 0.00 O ATOM 842 CB LEU A 56 55.046 -0.990 8.123 1.00 0.00 C ATOM 843 CG LEU A 56 54.516 0.259 7.412 1.00 0.00 C ATOM 844 CD1 LEU A 56 55.474 1.428 7.641 1.00 0.00 C ATOM 845 CD2 LEU A 56 54.412 -0.015 5.913 1.00 0.00 C ATOM 0 H LEU A 56 54.149 -2.247 9.975 1.00 0.00 H new ATOM 0 HA LEU A 56 53.285 -1.879 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.113 -0.811 9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.053 -1.221 7.775 1.00 0.00 H new ATOM 0 HG LEU A 56 53.533 0.509 7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 56 55.094 2.315 7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 56 55.555 1.628 8.709 1.00 0.00 H new ATOM 0 HD13 LEU A 56 56.457 1.176 7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 56 54.035 0.873 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 56 55.397 -0.266 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 56 53.730 -0.848 5.742 1.00 0.00 H new ATOM 857 N ARG A 57 55.058 -4.412 7.792 1.00 0.00 N ATOM 858 CA ARG A 57 55.772 -5.543 7.139 1.00 0.00 C ATOM 859 C ARG A 57 54.769 -6.403 6.368 1.00 0.00 C ATOM 860 O ARG A 57 55.117 -7.095 5.432 1.00 0.00 O ATOM 861 CB ARG A 57 56.396 -6.338 8.287 1.00 0.00 C ATOM 862 CG ARG A 57 57.253 -7.470 7.717 1.00 0.00 C ATOM 863 CD ARG A 57 57.701 -8.393 8.852 1.00 0.00 C ATOM 864 NE ARG A 57 58.420 -9.509 8.176 1.00 0.00 N ATOM 865 CZ ARG A 57 59.725 -9.548 8.190 1.00 0.00 C ATOM 866 NH1 ARG A 57 60.411 -8.681 7.497 1.00 0.00 N ATOM 867 NH2 ARG A 57 60.343 -10.455 8.895 1.00 0.00 N ATOM 0 H ARG A 57 54.754 -4.584 8.750 1.00 0.00 H new ATOM 0 HA ARG A 57 56.527 -5.209 6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 57 57.007 -5.682 8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 57 55.614 -6.746 8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 57 56.684 -8.034 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 57 58.122 -7.059 7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 57 58.352 -7.870 9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 57 56.848 -8.760 9.423 1.00 0.00 H new ATOM 0 HE ARG A 57 57.893 -10.243 7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 57 59.928 -7.973 6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 57 61.430 -8.711 7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 57 59.807 -11.134 9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 57 61.362 -10.485 8.906 1.00 0.00 H new ATOM 881 N LYS A 58 53.521 -6.358 6.753 1.00 0.00 N ATOM 882 CA LYS A 58 52.491 -7.165 6.040 1.00 0.00 C ATOM 883 C LYS A 58 51.944 -6.373 4.851 1.00 0.00 C ATOM 884 O LYS A 58 51.710 -6.911 3.787 1.00 0.00 O ATOM 885 CB LYS A 58 51.393 -7.408 7.076 1.00 0.00 C ATOM 886 CG LYS A 58 51.231 -8.912 7.310 1.00 0.00 C ATOM 887 CD LYS A 58 51.677 -9.257 8.733 1.00 0.00 C ATOM 888 CE LYS A 58 51.118 -10.627 9.124 1.00 0.00 C ATOM 889 NZ LYS A 58 51.996 -11.610 8.429 1.00 0.00 N ATOM 0 H LYS A 58 53.172 -5.797 7.530 1.00 0.00 H new ATOM 0 HA LYS A 58 52.890 -8.100 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 58 51.645 -6.909 8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 58 50.452 -6.980 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 58 50.191 -9.204 7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 58 51.825 -9.470 6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 58 52.765 -9.266 8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 58 51.326 -8.496 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 58 51.142 -10.770 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 58 50.079 -10.734 8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 51.409 -12.297 7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 52.613 -11.110 7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 52.580 -12.110 9.129 1.00 0.00 H new ATOM 903 N GLU A 59 51.746 -5.094 5.023 1.00 0.00 N ATOM 904 CA GLU A 59 51.221 -4.263 3.902 1.00 0.00 C ATOM 905 C GLU A 59 52.297 -4.102 2.825 1.00 0.00 C ATOM 906 O GLU A 59 52.051 -4.303 1.653 1.00 0.00 O ATOM 907 CB GLU A 59 50.887 -2.911 4.534 1.00 0.00 C ATOM 908 CG GLU A 59 49.908 -2.154 3.633 1.00 0.00 C ATOM 909 CD GLU A 59 48.980 -1.297 4.496 1.00 0.00 C ATOM 910 OE1 GLU A 59 48.022 -1.841 5.021 1.00 0.00 O ATOM 911 OE2 GLU A 59 49.242 -0.112 4.617 1.00 0.00 O ATOM 0 H GLU A 59 51.925 -4.589 5.891 1.00 0.00 H new ATOM 0 HA GLU A 59 50.351 -4.712 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 59 50.450 -3.057 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 59 51.797 -2.327 4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 59 50.455 -1.524 2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 59 49.324 -2.858 3.040 1.00 0.00 H new ATOM 918 N ALA A 60 53.490 -3.747 3.217 1.00 0.00 N ATOM 919 CA ALA A 60 54.586 -3.578 2.220 1.00 0.00 C ATOM 920 C ALA A 60 54.786 -4.882 1.442 1.00 0.00 C ATOM 921 O ALA A 60 55.292 -4.887 0.338 1.00 0.00 O ATOM 922 CB ALA A 60 55.828 -3.248 3.048 1.00 0.00 C ATOM 0 H ALA A 60 53.754 -3.566 4.186 1.00 0.00 H new ATOM 0 HA ALA A 60 54.369 -2.799 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 60 56.681 -3.109 2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 60 55.655 -2.333 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 60 56.034 -4.067 3.737 1.00 0.00 H new ATOM 928 N ALA A 61 54.388 -5.989 2.010 1.00 0.00 N ATOM 929 CA ALA A 61 54.550 -7.290 1.301 1.00 0.00 C ATOM 930 C ALA A 61 53.700 -7.297 0.028 1.00 0.00 C ATOM 931 O ALA A 61 54.190 -7.538 -1.057 1.00 0.00 O ATOM 932 CB ALA A 61 54.051 -8.346 2.288 1.00 0.00 C ATOM 0 H ALA A 61 53.958 -6.048 2.933 1.00 0.00 H new ATOM 0 HA ALA A 61 55.581 -7.475 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 61 54.138 -9.335 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 61 54.651 -8.307 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 61 53.007 -8.150 2.534 1.00 0.00 H new ATOM 938 N ALA A 62 52.429 -7.027 0.153 1.00 0.00 N ATOM 939 CA ALA A 62 51.548 -7.010 -1.050 1.00 0.00 C ATOM 940 C ALA A 62 51.982 -5.890 -2.003 1.00 0.00 C ATOM 941 O ALA A 62 51.650 -5.894 -3.172 1.00 0.00 O ATOM 942 CB ALA A 62 50.144 -6.742 -0.508 1.00 0.00 C ATOM 0 H ALA A 62 51.963 -6.818 1.036 1.00 0.00 H new ATOM 0 HA ALA A 62 51.594 -7.942 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 62 49.434 -6.714 -1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 62 49.864 -7.536 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 62 50.132 -5.785 0.013 1.00 0.00 H new ATOM 948 N ILE A 63 52.723 -4.933 -1.512 1.00 0.00 N ATOM 949 CA ILE A 63 53.182 -3.814 -2.384 1.00 0.00 C ATOM 950 C ILE A 63 54.298 -4.293 -3.321 1.00 0.00 C ATOM 951 O ILE A 63 54.621 -3.642 -4.293 1.00 0.00 O ATOM 952 CB ILE A 63 53.696 -2.749 -1.408 1.00 0.00 C ATOM 953 CG1 ILE A 63 52.516 -2.177 -0.620 1.00 0.00 C ATOM 954 CG2 ILE A 63 54.385 -1.616 -2.176 1.00 0.00 C ATOM 955 CD1 ILE A 63 53.022 -1.117 0.361 1.00 0.00 C ATOM 0 H ILE A 63 53.031 -4.878 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 63 52.390 -3.428 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 63 54.414 -3.207 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 63 51.788 -1.738 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 63 52.006 -2.974 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 63 54.746 -0.866 -1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 63 55.226 -2.018 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 63 53.674 -1.157 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 63 52.181 -0.710 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 63 53.734 -1.570 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 63 53.512 -0.315 -0.191 1.00 0.00 H new ATOM 967 N ARG A 64 54.889 -5.424 -3.039 1.00 0.00 N ATOM 968 CA ARG A 64 55.982 -5.933 -3.919 1.00 0.00 C ATOM 969 C ARG A 64 55.411 -6.795 -5.051 1.00 0.00 C ATOM 970 O ARG A 64 55.692 -6.574 -6.212 1.00 0.00 O ATOM 971 CB ARG A 64 56.866 -6.776 -3.000 1.00 0.00 C ATOM 972 CG ARG A 64 58.125 -5.987 -2.638 1.00 0.00 C ATOM 973 CD ARG A 64 59.344 -6.646 -3.286 1.00 0.00 C ATOM 974 NE ARG A 64 59.982 -7.432 -2.192 1.00 0.00 N ATOM 975 CZ ARG A 64 59.704 -8.699 -2.051 1.00 0.00 C ATOM 976 NH1 ARG A 64 59.695 -9.485 -3.093 1.00 0.00 N ATOM 977 NH2 ARG A 64 59.436 -9.181 -0.868 1.00 0.00 N ATOM 0 H ARG A 64 54.663 -6.016 -2.240 1.00 0.00 H new ATOM 0 HA ARG A 64 56.534 -5.122 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 64 56.319 -7.043 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 64 57.138 -7.708 -3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 64 58.031 -4.956 -2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 64 58.248 -5.955 -1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 64 59.051 -7.289 -4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 64 60.029 -5.900 -3.688 1.00 0.00 H new ATOM 0 HE ARG A 64 60.636 -6.979 -1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 64 59.905 -9.109 -4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 64 59.478 -10.475 -2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 64 59.444 -8.567 -0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 64 59.219 -10.172 -0.758 1.00 0.00 H new ATOM 991 N ASP A 65 54.617 -7.777 -4.723 1.00 0.00 N ATOM 992 CA ASP A 65 54.037 -8.653 -5.785 1.00 0.00 C ATOM 993 C ASP A 65 53.207 -7.819 -6.764 1.00 0.00 C ATOM 994 O ASP A 65 53.445 -7.819 -7.959 1.00 0.00 O ATOM 995 CB ASP A 65 53.148 -9.648 -5.038 1.00 0.00 C ATOM 996 CG ASP A 65 54.016 -10.533 -4.140 1.00 0.00 C ATOM 997 OD1 ASP A 65 54.684 -9.991 -3.275 1.00 0.00 O ATOM 998 OD2 ASP A 65 53.997 -11.737 -4.333 1.00 0.00 O ATOM 0 H ASP A 65 54.344 -8.012 -3.769 1.00 0.00 H new ATOM 0 HA ASP A 65 54.806 -9.156 -6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 65 52.411 -9.114 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 65 52.596 -10.263 -5.748 1.00 0.00 H new ATOM 1003 N GLU A 66 52.236 -7.103 -6.270 1.00 0.00 N ATOM 1004 CA GLU A 66 51.396 -6.266 -7.173 1.00 0.00 C ATOM 1005 C GLU A 66 52.293 -5.370 -8.030 1.00 0.00 C ATOM 1006 O GLU A 66 51.917 -4.936 -9.102 1.00 0.00 O ATOM 1007 CB GLU A 66 50.528 -5.424 -6.239 1.00 0.00 C ATOM 1008 CG GLU A 66 49.069 -5.504 -6.691 1.00 0.00 C ATOM 1009 CD GLU A 66 48.433 -6.781 -6.138 1.00 0.00 C ATOM 1010 OE1 GLU A 66 48.929 -7.284 -5.143 1.00 0.00 O ATOM 1011 OE2 GLU A 66 47.461 -7.235 -6.719 1.00 0.00 O ATOM 0 H GLU A 66 51.987 -7.061 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 66 50.792 -6.863 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 66 50.623 -5.783 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 66 50.866 -4.388 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 66 48.520 -4.630 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 66 49.014 -5.499 -7.780 1.00 0.00 H new ATOM 1018 N LEU A 67 53.479 -5.090 -7.562 1.00 0.00 N ATOM 1019 CA LEU A 67 54.400 -4.224 -8.345 1.00 0.00 C ATOM 1020 C LEU A 67 55.079 -5.045 -9.457 1.00 0.00 C ATOM 1021 O LEU A 67 55.620 -4.500 -10.398 1.00 0.00 O ATOM 1022 CB LEU A 67 55.380 -3.664 -7.288 1.00 0.00 C ATOM 1023 CG LEU A 67 56.840 -4.006 -7.595 1.00 0.00 C ATOM 1024 CD1 LEU A 67 57.309 -3.184 -8.794 1.00 0.00 C ATOM 1025 CD2 LEU A 67 57.694 -3.660 -6.378 1.00 0.00 C ATOM 0 H LEU A 67 53.848 -5.424 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 67 53.907 -3.408 -8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 67 55.269 -2.581 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 67 55.117 -4.061 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 67 56.934 -5.068 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 67 58.349 -3.425 -9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 67 56.690 -3.418 -9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 67 57.224 -2.122 -8.563 1.00 0.00 H new ATOM 0 HD21 LEU A 67 58.737 -3.900 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 67 57.603 -2.596 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 67 57.353 -4.237 -5.518 1.00 0.00 H new ATOM 1037 N GLN A 68 55.042 -6.347 -9.363 1.00 0.00 N ATOM 1038 CA GLN A 68 55.677 -7.184 -10.421 1.00 0.00 C ATOM 1039 C GLN A 68 54.856 -7.117 -11.715 1.00 0.00 C ATOM 1040 O GLN A 68 55.372 -7.312 -12.798 1.00 0.00 O ATOM 1041 CB GLN A 68 55.676 -8.606 -9.858 1.00 0.00 C ATOM 1042 CG GLN A 68 57.110 -9.135 -9.809 1.00 0.00 C ATOM 1043 CD GLN A 68 57.401 -9.940 -11.078 1.00 0.00 C ATOM 1044 OE1 GLN A 68 56.605 -9.957 -11.996 1.00 0.00 O ATOM 1045 NE2 GLN A 68 58.515 -10.614 -11.168 1.00 0.00 N ATOM 0 H GLN A 68 54.602 -6.865 -8.603 1.00 0.00 H new ATOM 0 HA GLN A 68 56.683 -6.844 -10.666 1.00 0.00 H new ATOM 0 HB2 GLN A 68 55.240 -8.613 -8.859 1.00 0.00 H new ATOM 0 HB3 GLN A 68 55.059 -9.254 -10.480 1.00 0.00 H new ATOM 0 HG2 GLN A 68 57.812 -8.306 -9.723 1.00 0.00 H new ATOM 0 HG3 GLN A 68 57.248 -9.762 -8.928 1.00 0.00 H new ATOM 0 HE21 GLN A 68 59.183 -10.600 -10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 68 58.717 -11.155 -12.009 1.00 0.00 H new ATOM 1054 N ALA A 69 53.582 -6.843 -11.614 1.00 0.00 N ATOM 1055 CA ALA A 69 52.735 -6.765 -12.845 1.00 0.00 C ATOM 1056 C ALA A 69 52.828 -5.367 -13.471 1.00 0.00 C ATOM 1057 O ALA A 69 52.862 -5.212 -14.675 1.00 0.00 O ATOM 1058 CB ALA A 69 51.311 -7.041 -12.361 1.00 0.00 C ATOM 0 H ALA A 69 53.091 -6.670 -10.737 1.00 0.00 H new ATOM 0 HA ALA A 69 53.053 -7.474 -13.609 1.00 0.00 H new ATOM 0 HB1 ALA A 69 50.625 -7.002 -13.207 1.00 0.00 H new ATOM 0 HB2 ALA A 69 51.267 -8.030 -11.904 1.00 0.00 H new ATOM 0 HB3 ALA A 69 51.024 -6.289 -11.626 1.00 0.00 H new ATOM 1064 N TYR A 70 52.876 -4.353 -12.653 1.00 0.00 N ATOM 1065 CA TYR A 70 52.973 -2.950 -13.174 1.00 0.00 C ATOM 1066 C TYR A 70 54.190 -2.806 -14.092 1.00 0.00 C ATOM 1067 O TYR A 70 54.268 -1.895 -14.893 1.00 0.00 O ATOM 1068 CB TYR A 70 53.123 -2.089 -11.916 1.00 0.00 C ATOM 1069 CG TYR A 70 52.011 -2.396 -10.918 1.00 0.00 C ATOM 1070 CD1 TYR A 70 50.825 -3.058 -11.326 1.00 0.00 C ATOM 1071 CD2 TYR A 70 52.169 -2.022 -9.568 1.00 0.00 C ATOM 1072 CE1 TYR A 70 49.812 -3.340 -10.384 1.00 0.00 C ATOM 1073 CE2 TYR A 70 51.156 -2.305 -8.626 1.00 0.00 C ATOM 1074 CZ TYR A 70 49.977 -2.964 -9.034 1.00 0.00 C ATOM 1075 OH TYR A 70 48.987 -3.241 -8.114 1.00 0.00 O ATOM 0 H TYR A 70 52.852 -4.431 -11.636 1.00 0.00 H new ATOM 0 HA TYR A 70 52.108 -2.658 -13.769 1.00 0.00 H new ATOM 0 HB2 TYR A 70 54.093 -2.275 -11.456 1.00 0.00 H new ATOM 0 HB3 TYR A 70 53.095 -1.033 -12.186 1.00 0.00 H new ATOM 0 HD1 TYR A 70 50.697 -3.347 -12.359 1.00 0.00 H new ATOM 0 HD2 TYR A 70 53.070 -1.516 -9.253 1.00 0.00 H new ATOM 0 HE1 TYR A 70 48.910 -3.844 -10.697 1.00 0.00 H new ATOM 0 HE2 TYR A 70 51.284 -2.017 -7.593 1.00 0.00 H new ATOM 0 HH TYR A 70 48.237 -3.684 -8.564 1.00 0.00 H new ATOM 1085 N ARG A 71 55.138 -3.695 -13.987 1.00 0.00 N ATOM 1086 CA ARG A 71 56.343 -3.603 -14.860 1.00 0.00 C ATOM 1087 C ARG A 71 55.925 -3.521 -16.332 1.00 0.00 C ATOM 1088 O ARG A 71 56.600 -2.922 -17.146 1.00 0.00 O ATOM 1089 CB ARG A 71 57.122 -4.892 -14.597 1.00 0.00 C ATOM 1090 CG ARG A 71 58.560 -4.552 -14.199 1.00 0.00 C ATOM 1091 CD ARG A 71 59.530 -5.166 -15.211 1.00 0.00 C ATOM 1092 NE ARG A 71 60.752 -4.318 -15.131 1.00 0.00 N ATOM 1093 CZ ARG A 71 61.852 -4.702 -15.719 1.00 0.00 C ATOM 1094 NH1 ARG A 71 62.257 -5.937 -15.604 1.00 0.00 N ATOM 1095 NH2 ARG A 71 62.547 -3.850 -16.422 1.00 0.00 N ATOM 0 H ARG A 71 55.131 -4.480 -13.336 1.00 0.00 H new ATOM 0 HA ARG A 71 56.939 -2.715 -14.648 1.00 0.00 H new ATOM 0 HB2 ARG A 71 56.640 -5.464 -13.804 1.00 0.00 H new ATOM 0 HB3 ARG A 71 57.120 -5.519 -15.489 1.00 0.00 H new ATOM 0 HG2 ARG A 71 58.692 -3.471 -14.163 1.00 0.00 H new ATOM 0 HG3 ARG A 71 58.771 -4.933 -13.200 1.00 0.00 H new ATOM 0 HD2 ARG A 71 59.753 -6.204 -14.966 1.00 0.00 H new ATOM 0 HD3 ARG A 71 59.109 -5.159 -16.216 1.00 0.00 H new ATOM 0 HE ARG A 71 60.729 -3.437 -14.617 1.00 0.00 H new ATOM 0 HH11 ARG A 71 61.714 -6.603 -15.054 1.00 0.00 H new ATOM 0 HH12 ARG A 71 63.117 -6.237 -16.064 1.00 0.00 H new ATOM 0 HH21 ARG A 71 62.230 -2.885 -16.512 1.00 0.00 H new ATOM 0 HH22 ARG A 71 63.407 -4.150 -16.882 1.00 0.00 H new ATOM 1109 N HIS A 72 54.817 -4.118 -16.681 1.00 0.00 N ATOM 1110 CA HIS A 72 54.361 -4.074 -18.102 1.00 0.00 C ATOM 1111 C HIS A 72 52.832 -4.003 -18.170 1.00 0.00 C ATOM 1112 O HIS A 72 52.194 -4.800 -18.827 1.00 0.00 O ATOM 1113 CB HIS A 72 54.864 -5.380 -18.718 1.00 0.00 C ATOM 1114 CG HIS A 72 54.265 -6.544 -17.978 1.00 0.00 C ATOM 1115 ND1 HIS A 72 54.906 -7.151 -16.909 1.00 0.00 N ATOM 1116 CD2 HIS A 72 53.083 -7.225 -18.142 1.00 0.00 C ATOM 1117 CE1 HIS A 72 54.114 -8.148 -16.474 1.00 0.00 C ATOM 1118 NE2 HIS A 72 52.990 -8.237 -17.191 1.00 0.00 N ATOM 0 H HIS A 72 54.208 -4.634 -16.045 1.00 0.00 H new ATOM 0 HA HIS A 72 54.741 -3.199 -18.629 1.00 0.00 H new ATOM 0 HB2 HIS A 72 54.592 -5.426 -19.772 1.00 0.00 H new ATOM 0 HB3 HIS A 72 55.952 -5.424 -18.667 1.00 0.00 H new ATOM 0 HD2 HIS A 72 52.339 -7.008 -18.894 1.00 0.00 H new ATOM 0 HE1 HIS A 72 54.357 -8.797 -15.646 1.00 0.00 H new ATOM 0 HE2 HIS A 72 52.228 -8.903 -17.068 1.00 0.00 H new ATOM 1126 N ASN A 73 52.240 -3.056 -17.496 1.00 0.00 N ATOM 1127 CA ASN A 73 50.754 -2.938 -17.526 1.00 0.00 C ATOM 1128 C ASN A 73 50.333 -1.766 -18.417 1.00 0.00 C ATOM 1129 O ASN A 73 49.248 -1.249 -18.209 1.00 0.00 O ATOM 1130 CB ASN A 73 50.349 -2.680 -16.075 1.00 0.00 C ATOM 1131 CG ASN A 73 49.378 -3.770 -15.614 1.00 0.00 C ATOM 1132 OD1 ASN A 73 48.229 -3.495 -15.329 1.00 0.00 O ATOM 1133 ND2 ASN A 73 49.794 -5.004 -15.527 1.00 0.00 N ATOM 1134 OXT ASN A 73 51.103 -1.408 -19.294 1.00 0.00 O ATOM 0 H ASN A 73 52.720 -2.359 -16.926 1.00 0.00 H new ATOM 0 HA ASN A 73 50.277 -3.831 -17.931 1.00 0.00 H new ATOM 0 HB2 ASN A 73 51.232 -2.671 -15.436 1.00 0.00 H new ATOM 0 HB3 ASN A 73 49.881 -1.700 -15.986 1.00 0.00 H new ATOM 0 HD21 ASN A 73 49.155 -5.737 -15.220 1.00 0.00 H new ATOM 0 HD22 ASN A 73 50.758 -5.235 -15.766 1.00 0.00 H new TER 1141 ASN A 73 END