USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) HEADER DNA-BINDING 17-NOV-94 1NHM TITLE THE STRUCTURE OF THE HMG BOX AND ITS INTERACTION WITH DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: HIGH MOBILITY GROUP PROTEIN 1; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CRICETULUS GRISEUS; SOURCE 3 ORGANISM_COMMON: CHINESE HAMSTER; SOURCE 4 ORGANISM_TAXID: 10029; SOURCE 5 GENE: INSERT DERIVED BY PCR; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: DH5 ALPHA; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PGEX-2T; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX-2T GENE: INSERT DERIVED BY SOURCE 1 PCR KEYWDS DNA-BINDING EXPDTA SOLUTION NMR AUTHOR C.M.READ,P.D.CARY,C.CRANE-ROBINSON,P.C.DRISCOLL, AUTHOR 2 M.O.M.CARILLO,D.G.NORMAN REVDAT 2 24-FEB-09 1NHM 1 VERSN REVDAT 1 07-FEB-95 1NHM 0 JRNL AUTH C.M.READ,P.D.CARY,C.CRANE-ROBINSON,P.C.DRISCOLL, JRNL AUTH 2 M.O.M.CARILLO,D.G.NORMAN JRNL TITL THE STRUCTURE OF THE HMG BOX AND ITS INTERACTION JRNL TITL 2 WITH DNA JRNL REF NUCLEIC ACIDS MOL.BIOL. V. 9 222 1995 JRNL REFN ISSN 0933-1891 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.M.READ,P.D.CARY,C.CRANE-ROBINSON,P.C.DRISCOLL, REMARK 1 AUTH 2 D.G.NORMAN REMARK 1 TITL SOLUTION STRUCTURE OF A DNA-BINDING DOMAIN FROM REMARK 1 TITL 2 HMG1 REMARK 1 REF NUCLEIC ACIDS RES. V. 21 3427 1993 REMARK 1 REFN ISSN 0305-1048 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : SIMULATED ANNEALING, YASAP, X-PLOR 3.0 REMARK 3 AUTHORS : NILGES ET AL. (SIMULATED ANNEALING, YASAP), REMARK 3 BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NHM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 GLY A 1 REMARK 465 SER A 2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TRP A 43 CG - CD1 - NE1 ANGL. DEV. = -6.8 DEGREES REMARK 500 TRP A 43 CD1 - NE1 - CE2 ANGL. DEV. = 8.0 DEGREES REMARK 500 TRP A 43 NE1 - CE2 - CZ2 ANGL. DEV. = 8.1 DEGREES REMARK 500 TRP A 43 NE1 - CE2 - CD2 ANGL. DEV. = -6.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 4 77.35 3.31 REMARK 500 PRO A 5 159.31 -32.31 REMARK 500 ARG A 7 83.91 2.65 REMARK 500 PRO A 8 176.63 -53.11 REMARK 500 PRO A 9 150.42 -36.02 REMARK 500 ALA A 11 -68.11 106.94 REMARK 500 HIS A 27 62.59 -113.86 REMARK 500 PRO A 28 36.48 -79.33 REMARK 500 GLU A 41 -60.64 -90.02 REMARK 500 THR A 46 -150.07 -97.66 REMARK 500 ALA A 48 25.25 32.18 REMARK 500 GLN A 52 -56.59 -27.31 REMARK 500 GLU A 66 -27.44 -39.43 REMARK 500 ALA A 74 37.94 -98.85 REMARK 500 ASP A 79 61.55 85.44 REMARK 500 ALA A 80 58.65 152.27 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 7 0.31 SIDE_CHAIN REMARK 500 ARG A 20 0.32 SIDE_CHAIN REMARK 500 ARG A 73 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1NHN RELATED DB: PDB DBREF 1NHM A 3 81 UNP P07156 HMG1_CRIGR 58 136 SEQRES 1 A 81 GLY SER ASN ALA PRO LYS ARG PRO PRO SER ALA PHE PHE SEQRES 2 A 81 LEU PHE CYS SER GLU TYR ARG PRO LYS ILE LYS GLY GLU SEQRES 3 A 81 HIS PRO GLY LEU SER ILE GLY ASP VAL ALA LYS LYS LEU SEQRES 4 A 81 GLY GLU MET TRP ASN ASN THR ALA ALA ASP ASP LYS GLN SEQRES 5 A 81 PRO TYR GLU LYS LYS ALA ALA LYS LEU LYS GLU LYS TYR SEQRES 6 A 81 GLU LYS ASP ILE ALA ALA TYR ARG ALA LYS GLY LYS PRO SEQRES 7 A 81 ASP ALA ALA HELIX 1 H1 PHE A 12 GLU A 18 1 7 HELIX 2 H1' PRO A 21 GLU A 26 1H1 AND H1' BEND AROUND H2 6 HELIX 3 H2 GLY A 33 ASN A 44 1 12 HELIX 4 H3 PRO A 53 ARG A 73 1 21 CISPEP 1 ASP A 79 ALA A 80 0 0.14 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 Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= -0.0354 (180deg=-0.382) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -44:sc= -5.79! USER MOD Single : A 17 SER OG : rot 85:sc= 0.0728 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.144 (180deg=-0.386) USER MOD Single : A 24 LYS NZ :NH3+ -132:sc= -0.658 (180deg=-4.07!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.262 F(o=-1.1,f=-0.26) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.0373 (180deg=-0.308) USER MOD Single : A 42 MET CE :methyl -149:sc= -0.869 (180deg=-2.45) USER MOD Single : A 44 ASN : amide:sc= -0.395 X(o=-0.39,f=-0.022) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.108 F(o=-1.2,f=-0.11) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.074 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.087) USER MOD Single : A 54 TYR OH : rot -36:sc= 0.172 USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.801 (180deg=-1.32) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.172) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.0401 (180deg=-0.314) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0.244 USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= -0.0653 (180deg=-0.482) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 145:sc= 0.159 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -128:sc= -1.85 (180deg=-4.72!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 7.055 -8.048 6.052 1.00 0.00 N ATOM 2 CA ASN A 3 6.822 -8.757 4.764 1.00 0.00 C ATOM 3 C ASN A 3 6.535 -7.711 3.683 1.00 0.00 C ATOM 4 O ASN A 3 6.337 -6.556 4.008 1.00 0.00 O ATOM 5 CB ASN A 3 5.619 -9.701 4.933 1.00 0.00 C ATOM 6 CG ASN A 3 5.866 -10.642 6.121 1.00 0.00 C ATOM 7 OD1 ASN A 3 6.830 -11.380 6.160 1.00 0.00 O ATOM 8 ND2 ASN A 3 5.020 -10.645 7.114 1.00 0.00 N ATOM 0 HA ASN A 3 7.695 -9.343 4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.710 -9.122 5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.468 -10.281 4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.172 -11.263 7.912 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.207 -10.030 7.093 1.00 0.00 H new ATOM 15 N ALA A 4 6.523 -8.164 2.448 1.00 0.00 N ATOM 16 CA ALA A 4 6.265 -7.322 1.234 1.00 0.00 C ATOM 17 C ALA A 4 6.078 -5.806 1.494 1.00 0.00 C ATOM 18 O ALA A 4 4.961 -5.322 1.502 1.00 0.00 O ATOM 19 CB ALA A 4 5.030 -7.913 0.550 1.00 0.00 C ATOM 0 H ALA A 4 6.693 -9.145 2.224 1.00 0.00 H new ATOM 0 HA ALA A 4 7.157 -7.358 0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.797 -7.334 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.229 -8.948 0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.183 -7.878 1.235 1.00 0.00 H new ATOM 25 N PRO A 5 7.179 -5.112 1.717 1.00 0.00 N ATOM 26 CA PRO A 5 7.237 -3.622 1.861 1.00 0.00 C ATOM 27 C PRO A 5 6.211 -2.814 1.034 1.00 0.00 C ATOM 28 O PRO A 5 5.678 -3.302 0.056 1.00 0.00 O ATOM 29 CB PRO A 5 8.697 -3.331 1.525 1.00 0.00 C ATOM 30 CG PRO A 5 9.420 -4.508 2.194 1.00 0.00 C ATOM 31 CD PRO A 5 8.538 -5.721 1.850 1.00 0.00 C ATOM 0 HA PRO A 5 6.940 -3.293 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.870 -3.304 0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.024 -2.371 1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.433 -4.627 1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.504 -4.366 3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.857 -6.205 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.567 -6.478 2.633 1.00 0.00 H new ATOM 39 N LYS A 6 5.972 -1.595 1.457 1.00 0.00 N ATOM 40 CA LYS A 6 4.998 -0.692 0.768 1.00 0.00 C ATOM 41 C LYS A 6 5.509 0.713 0.370 1.00 0.00 C ATOM 42 O LYS A 6 5.328 1.666 1.103 1.00 0.00 O ATOM 43 CB LYS A 6 3.749 -0.581 1.694 1.00 0.00 C ATOM 44 CG LYS A 6 4.150 -0.200 3.145 1.00 0.00 C ATOM 45 CD LYS A 6 2.878 -0.068 4.009 1.00 0.00 C ATOM 46 CE LYS A 6 3.267 0.311 5.452 1.00 0.00 C ATOM 47 NZ LYS A 6 3.958 1.632 5.475 1.00 0.00 N ATOM 0 H LYS A 6 6.424 -1.179 2.272 1.00 0.00 H new ATOM 0 HA LYS A 6 4.780 -1.147 -0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.065 0.168 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.214 -1.530 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.810 -0.960 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.703 0.739 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.218 0.691 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.325 -1.008 4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.375 0.349 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.919 -0.455 5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.957 2.007 6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.939 1.516 5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.461 2.295 4.847 1.00 0.00 H new ATOM 61 N ARG A 7 6.133 0.774 -0.786 1.00 0.00 N ATOM 62 CA ARG A 7 6.711 2.029 -1.387 1.00 0.00 C ATOM 63 C ARG A 7 6.597 3.322 -0.524 1.00 0.00 C ATOM 64 O ARG A 7 5.676 4.096 -0.706 1.00 0.00 O ATOM 65 CB ARG A 7 6.026 2.293 -2.758 1.00 0.00 C ATOM 66 CG ARG A 7 6.251 1.164 -3.798 1.00 0.00 C ATOM 67 CD ARG A 7 5.289 -0.026 -3.597 1.00 0.00 C ATOM 68 NE ARG A 7 5.392 -0.894 -4.807 1.00 0.00 N ATOM 69 CZ ARG A 7 4.336 -1.111 -5.546 1.00 0.00 C ATOM 70 NH1 ARG A 7 4.004 -0.226 -6.445 1.00 0.00 N ATOM 71 NH2 ARG A 7 3.652 -2.206 -5.360 1.00 0.00 N ATOM 0 H ARG A 7 6.273 -0.048 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 7 7.780 1.831 -1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.955 2.421 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.402 3.231 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.119 1.568 -4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.280 0.811 -3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.553 -0.586 -2.700 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.266 0.326 -3.463 1.00 0.00 H new ATOM 0 HE ARG A 7 6.286 -1.317 -5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.565 0.618 -6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.183 -0.378 -7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.944 -2.875 -4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.825 -2.393 -5.927 1.00 0.00 H new ATOM 85 N PRO A 8 7.522 3.521 0.391 1.00 0.00 N ATOM 86 CA PRO A 8 7.609 4.748 1.249 1.00 0.00 C ATOM 87 C PRO A 8 7.617 6.079 0.443 1.00 0.00 C ATOM 88 O PRO A 8 7.619 6.039 -0.772 1.00 0.00 O ATOM 89 CB PRO A 8 8.884 4.503 2.071 1.00 0.00 C ATOM 90 CG PRO A 8 8.957 2.965 2.152 1.00 0.00 C ATOM 91 CD PRO A 8 8.605 2.557 0.722 1.00 0.00 C ATOM 0 HA PRO A 8 6.729 4.886 1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.764 4.923 1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.819 4.956 3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.948 2.618 2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.251 2.560 2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.457 2.651 0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.265 1.523 0.663 1.00 0.00 H new ATOM 99 N PRO A 9 7.623 7.210 1.130 1.00 0.00 N ATOM 100 CA PRO A 9 7.586 8.574 0.530 1.00 0.00 C ATOM 101 C PRO A 9 8.352 8.743 -0.779 1.00 0.00 C ATOM 102 O PRO A 9 9.343 8.083 -1.031 1.00 0.00 O ATOM 103 CB PRO A 9 8.089 9.464 1.664 1.00 0.00 C ATOM 104 CG PRO A 9 7.411 8.802 2.870 1.00 0.00 C ATOM 105 CD PRO A 9 7.672 7.312 2.611 1.00 0.00 C ATOM 0 HA PRO A 9 6.582 8.834 0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.176 9.456 1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.786 10.504 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.845 9.133 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.345 9.027 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.639 6.999 3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.917 6.683 3.083 1.00 0.00 H new ATOM 113 N SER A 10 7.836 9.659 -1.553 1.00 0.00 N ATOM 114 CA SER A 10 8.426 9.981 -2.888 1.00 0.00 C ATOM 115 C SER A 10 8.833 11.443 -3.138 1.00 0.00 C ATOM 116 O SER A 10 9.026 11.823 -4.275 1.00 0.00 O ATOM 117 CB SER A 10 7.403 9.519 -3.949 1.00 0.00 C ATOM 118 OG SER A 10 7.281 8.115 -3.757 1.00 0.00 O ATOM 0 H SER A 10 7.012 10.210 -1.312 1.00 0.00 H new ATOM 0 HA SER A 10 9.380 9.456 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.444 10.020 -3.817 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.748 9.751 -4.957 1.00 0.00 H new ATOM 0 HG SER A 10 6.639 7.751 -4.402 1.00 0.00 H new ATOM 124 N ALA A 11 8.942 12.184 -2.062 1.00 0.00 N ATOM 125 CA ALA A 11 9.335 13.643 -2.020 1.00 0.00 C ATOM 126 C ALA A 11 8.095 14.462 -1.702 1.00 0.00 C ATOM 127 O ALA A 11 7.954 15.057 -0.651 1.00 0.00 O ATOM 128 CB ALA A 11 9.879 14.173 -3.369 1.00 0.00 C ATOM 0 H ALA A 11 8.759 11.806 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 11 10.122 13.734 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.142 15.226 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.764 13.604 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.115 14.063 -4.138 1.00 0.00 H new ATOM 134 N PHE A 12 7.218 14.448 -2.672 1.00 0.00 N ATOM 135 CA PHE A 12 5.933 15.175 -2.572 1.00 0.00 C ATOM 136 C PHE A 12 5.265 14.750 -1.265 1.00 0.00 C ATOM 137 O PHE A 12 4.795 15.558 -0.496 1.00 0.00 O ATOM 138 CB PHE A 12 5.109 14.801 -3.824 1.00 0.00 C ATOM 139 CG PHE A 12 3.672 15.315 -3.710 1.00 0.00 C ATOM 140 CD1 PHE A 12 3.424 16.619 -3.341 1.00 0.00 C ATOM 141 CD2 PHE A 12 2.608 14.475 -3.974 1.00 0.00 C ATOM 142 CE1 PHE A 12 2.134 17.081 -3.233 1.00 0.00 C ATOM 143 CE2 PHE A 12 1.315 14.935 -3.869 1.00 0.00 C ATOM 144 CZ PHE A 12 1.076 16.238 -3.497 1.00 0.00 C ATOM 0 H PHE A 12 7.350 13.947 -3.550 1.00 0.00 H new ATOM 0 HA PHE A 12 6.043 16.259 -2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.580 15.222 -4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.103 13.718 -3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.250 17.284 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.792 13.451 -4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.949 18.104 -2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.488 14.273 -4.079 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.062 16.599 -3.412 1.00 0.00 H new ATOM 154 N PHE A 13 5.259 13.461 -1.079 1.00 0.00 N ATOM 155 CA PHE A 13 4.661 12.816 0.131 1.00 0.00 C ATOM 156 C PHE A 13 4.842 13.614 1.447 1.00 0.00 C ATOM 157 O PHE A 13 3.915 13.799 2.211 1.00 0.00 O ATOM 158 CB PHE A 13 5.297 11.420 0.241 1.00 0.00 C ATOM 159 CG PHE A 13 4.568 10.545 1.277 1.00 0.00 C ATOM 160 CD1 PHE A 13 4.618 10.820 2.634 1.00 0.00 C ATOM 161 CD2 PHE A 13 3.837 9.452 0.844 1.00 0.00 C ATOM 162 CE1 PHE A 13 3.951 10.020 3.536 1.00 0.00 C ATOM 163 CE2 PHE A 13 3.171 8.652 1.747 1.00 0.00 C ATOM 164 CZ PHE A 13 3.226 8.935 3.094 1.00 0.00 C ATOM 0 H PHE A 13 5.660 12.798 -1.742 1.00 0.00 H new ATOM 0 HA PHE A 13 3.580 12.771 0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.271 10.930 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.346 11.518 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.185 11.669 2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.788 9.224 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.997 10.244 4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.605 7.801 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.703 8.309 3.801 1.00 0.00 H new ATOM 174 N LEU A 14 6.046 14.076 1.667 1.00 0.00 N ATOM 175 CA LEU A 14 6.378 14.858 2.899 1.00 0.00 C ATOM 176 C LEU A 14 5.577 16.142 2.938 1.00 0.00 C ATOM 177 O LEU A 14 4.783 16.411 3.817 1.00 0.00 O ATOM 178 CB LEU A 14 7.896 15.204 2.907 1.00 0.00 C ATOM 179 CG LEU A 14 8.831 13.964 2.935 1.00 0.00 C ATOM 180 CD1 LEU A 14 8.270 12.960 3.937 1.00 0.00 C ATOM 181 CD2 LEU A 14 9.019 13.262 1.571 1.00 0.00 C ATOM 0 H LEU A 14 6.831 13.941 1.030 1.00 0.00 H new ATOM 0 HA LEU A 14 6.131 14.254 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.126 15.799 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.111 15.827 3.775 1.00 0.00 H new ATOM 0 HG LEU A 14 9.818 14.330 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.914 12.081 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.228 13.417 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.267 12.663 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.687 12.409 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.053 12.918 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.450 13.964 0.857 1.00 0.00 H new ATOM 193 N PHE A 15 5.860 16.891 1.920 1.00 0.00 N ATOM 194 CA PHE A 15 5.230 18.217 1.685 1.00 0.00 C ATOM 195 C PHE A 15 3.726 18.135 1.886 1.00 0.00 C ATOM 196 O PHE A 15 3.100 18.967 2.514 1.00 0.00 O ATOM 197 CB PHE A 15 5.576 18.602 0.277 1.00 0.00 C ATOM 198 CG PHE A 15 4.758 19.773 -0.243 1.00 0.00 C ATOM 199 CD1 PHE A 15 5.032 21.071 0.124 1.00 0.00 C ATOM 200 CD2 PHE A 15 3.725 19.510 -1.113 1.00 0.00 C ATOM 201 CE1 PHE A 15 4.273 22.096 -0.385 1.00 0.00 C ATOM 202 CE2 PHE A 15 2.966 20.528 -1.622 1.00 0.00 C ATOM 203 CZ PHE A 15 3.240 21.827 -1.260 1.00 0.00 C ATOM 0 H PHE A 15 6.536 16.626 1.204 1.00 0.00 H new ATOM 0 HA PHE A 15 5.594 18.965 2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.635 18.856 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.423 17.742 -0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.840 21.282 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.511 18.490 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.485 23.116 -0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.156 20.313 -2.304 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.647 22.636 -1.660 1.00 0.00 H new ATOM 213 N CYS A 16 3.214 17.078 1.318 1.00 0.00 N ATOM 214 CA CYS A 16 1.761 16.809 1.381 1.00 0.00 C ATOM 215 C CYS A 16 1.281 16.879 2.817 1.00 0.00 C ATOM 216 O CYS A 16 0.437 17.666 3.176 1.00 0.00 O ATOM 217 CB CYS A 16 1.481 15.421 0.815 1.00 0.00 C ATOM 218 SG CYS A 16 1.946 15.059 -0.891 1.00 0.00 S ATOM 0 H CYS A 16 3.755 16.381 0.806 1.00 0.00 H new ATOM 0 HA CYS A 16 1.231 17.559 0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.987 14.697 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.411 15.237 0.910 1.00 0.00 H new ATOM 0 HG CYS A 16 1.596 16.050 -1.656 1.00 0.00 H new ATOM 224 N SER A 17 1.885 16.021 3.579 1.00 0.00 N ATOM 225 CA SER A 17 1.572 15.903 5.032 1.00 0.00 C ATOM 226 C SER A 17 1.596 17.258 5.743 1.00 0.00 C ATOM 227 O SER A 17 0.636 17.679 6.356 1.00 0.00 O ATOM 228 CB SER A 17 2.593 14.974 5.690 1.00 0.00 C ATOM 229 OG SER A 17 2.418 13.710 5.062 1.00 0.00 O ATOM 0 H SER A 17 2.604 15.376 3.250 1.00 0.00 H new ATOM 0 HA SER A 17 0.563 15.500 5.122 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.608 15.345 5.549 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.425 14.905 6.765 1.00 0.00 H new ATOM 0 HG SER A 17 2.943 13.680 4.235 1.00 0.00 H new ATOM 235 N GLU A 18 2.736 17.875 5.616 1.00 0.00 N ATOM 236 CA GLU A 18 3.026 19.216 6.213 1.00 0.00 C ATOM 237 C GLU A 18 1.933 20.266 6.017 1.00 0.00 C ATOM 238 O GLU A 18 1.590 20.988 6.933 1.00 0.00 O ATOM 239 CB GLU A 18 4.329 19.732 5.607 1.00 0.00 C ATOM 240 CG GLU A 18 5.435 18.743 5.965 1.00 0.00 C ATOM 241 CD GLU A 18 6.718 19.072 5.186 1.00 0.00 C ATOM 242 OE1 GLU A 18 7.223 20.168 5.375 1.00 0.00 O ATOM 243 OE2 GLU A 18 7.121 18.196 4.439 1.00 0.00 O ATOM 0 H GLU A 18 3.521 17.485 5.095 1.00 0.00 H new ATOM 0 HA GLU A 18 3.091 19.066 7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.236 19.826 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.564 20.724 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.632 18.780 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.112 17.727 5.735 1.00 0.00 H new ATOM 250 N TYR A 19 1.428 20.300 4.812 1.00 0.00 N ATOM 251 CA TYR A 19 0.361 21.280 4.456 1.00 0.00 C ATOM 252 C TYR A 19 -1.089 20.827 4.497 1.00 0.00 C ATOM 253 O TYR A 19 -1.920 21.634 4.851 1.00 0.00 O ATOM 254 CB TYR A 19 0.661 21.800 3.059 1.00 0.00 C ATOM 255 CG TYR A 19 1.747 22.868 3.103 1.00 0.00 C ATOM 256 CD1 TYR A 19 1.444 24.125 3.579 1.00 0.00 C ATOM 257 CD2 TYR A 19 3.026 22.595 2.674 1.00 0.00 C ATOM 258 CE1 TYR A 19 2.407 25.103 3.625 1.00 0.00 C ATOM 259 CE2 TYR A 19 3.993 23.572 2.719 1.00 0.00 C ATOM 260 CZ TYR A 19 3.694 24.835 3.194 1.00 0.00 C ATOM 261 OH TYR A 19 4.669 25.811 3.237 1.00 0.00 O ATOM 0 H TYR A 19 1.713 19.683 4.051 1.00 0.00 H new ATOM 0 HA TYR A 19 0.412 22.025 5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.980 20.977 2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.245 22.214 2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.442 24.343 3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.271 21.611 2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.159 26.085 3.999 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.994 23.350 2.380 1.00 0.00 H new ATOM 0 HH TYR A 19 5.512 25.446 2.897 1.00 0.00 H new ATOM 271 N ARG A 20 -1.370 19.602 4.136 1.00 0.00 N ATOM 272 CA ARG A 20 -2.776 19.079 4.145 1.00 0.00 C ATOM 273 C ARG A 20 -3.642 19.673 5.293 1.00 0.00 C ATOM 274 O ARG A 20 -4.566 20.399 5.002 1.00 0.00 O ATOM 275 CB ARG A 20 -2.691 17.518 4.223 1.00 0.00 C ATOM 276 CG ARG A 20 -4.101 16.895 4.407 1.00 0.00 C ATOM 277 CD ARG A 20 -3.981 15.424 4.831 1.00 0.00 C ATOM 278 NE ARG A 20 -3.269 15.377 6.144 1.00 0.00 N ATOM 279 CZ ARG A 20 -3.900 15.000 7.221 1.00 0.00 C ATOM 280 NH1 ARG A 20 -3.951 13.730 7.515 1.00 0.00 N ATOM 281 NH2 ARG A 20 -4.461 15.912 7.966 1.00 0.00 N ATOM 0 H ARG A 20 -0.671 18.925 3.828 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.284 19.391 3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.233 17.129 3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.049 17.226 5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.658 17.453 5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.663 16.968 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.969 14.971 4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.433 14.855 4.080 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.285 15.641 6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.501 13.047 6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.441 13.420 8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.400 16.895 7.701 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.960 15.642 8.813 1.00 0.00 H new ATOM 295 N PRO A 21 -3.337 19.382 6.543 1.00 0.00 N ATOM 296 CA PRO A 21 -4.124 19.850 7.725 1.00 0.00 C ATOM 297 C PRO A 21 -4.173 21.381 7.871 1.00 0.00 C ATOM 298 O PRO A 21 -5.022 21.905 8.565 1.00 0.00 O ATOM 299 CB PRO A 21 -3.446 19.171 8.912 1.00 0.00 C ATOM 300 CG PRO A 21 -1.987 19.047 8.429 1.00 0.00 C ATOM 301 CD PRO A 21 -2.171 18.576 6.993 1.00 0.00 C ATOM 0 HA PRO A 21 -5.177 19.584 7.633 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.524 19.767 9.821 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.886 18.198 9.130 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.457 19.998 8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.419 18.332 9.024 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.286 18.767 6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.371 17.506 6.938 1.00 0.00 H new ATOM 309 N LYS A 22 -3.262 22.043 7.206 1.00 0.00 N ATOM 310 CA LYS A 22 -3.200 23.534 7.276 1.00 0.00 C ATOM 311 C LYS A 22 -4.186 24.133 6.277 1.00 0.00 C ATOM 312 O LYS A 22 -5.044 24.915 6.641 1.00 0.00 O ATOM 313 CB LYS A 22 -1.765 24.012 6.937 1.00 0.00 C ATOM 314 CG LYS A 22 -0.695 23.290 7.800 1.00 0.00 C ATOM 315 CD LYS A 22 -0.900 23.593 9.306 1.00 0.00 C ATOM 316 CE LYS A 22 0.224 22.932 10.132 1.00 0.00 C ATOM 317 NZ LYS A 22 0.189 21.452 9.963 1.00 0.00 N ATOM 0 H LYS A 22 -2.553 21.612 6.613 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.461 23.859 8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.562 23.831 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.694 25.088 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.751 22.215 7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.301 23.609 7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.900 24.670 9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.871 23.220 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.193 23.318 9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.109 23.187 11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.808 21.007 10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.785 21.111 10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.520 21.204 9.009 1.00 0.00 H new ATOM 331 N ILE A 23 -4.045 23.736 5.038 1.00 0.00 N ATOM 332 CA ILE A 23 -4.958 24.262 3.980 1.00 0.00 C ATOM 333 C ILE A 23 -6.357 23.804 4.378 1.00 0.00 C ATOM 334 O ILE A 23 -7.267 24.596 4.366 1.00 0.00 O ATOM 335 CB ILE A 23 -4.571 23.704 2.554 1.00 0.00 C ATOM 336 CG1 ILE A 23 -3.392 22.696 2.596 1.00 0.00 C ATOM 337 CG2 ILE A 23 -4.146 24.927 1.710 1.00 0.00 C ATOM 338 CD1 ILE A 23 -3.165 22.084 1.209 1.00 0.00 C ATOM 0 H ILE A 23 -3.340 23.073 4.715 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.892 25.348 3.908 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.425 23.169 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.486 23.200 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.604 21.908 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.866 24.599 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.977 25.629 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.295 25.417 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.335 21.379 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.067 21.563 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.931 22.875 0.496 1.00 0.00 H new ATOM 350 N LYS A 24 -6.477 22.550 4.725 1.00 0.00 N ATOM 351 CA LYS A 24 -7.768 21.928 5.153 1.00 0.00 C ATOM 352 C LYS A 24 -8.323 22.717 6.347 1.00 0.00 C ATOM 353 O LYS A 24 -9.520 22.828 6.530 1.00 0.00 O ATOM 354 CB LYS A 24 -7.475 20.477 5.533 1.00 0.00 C ATOM 355 CG LYS A 24 -8.758 19.721 5.939 1.00 0.00 C ATOM 356 CD LYS A 24 -8.487 18.195 5.959 1.00 0.00 C ATOM 357 CE LYS A 24 -7.243 17.852 6.808 1.00 0.00 C ATOM 358 NZ LYS A 24 -7.078 16.374 6.888 1.00 0.00 N ATOM 0 H LYS A 24 -5.692 21.899 4.729 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.513 21.949 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.004 19.969 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.763 20.454 6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.090 20.053 6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.561 19.947 5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.357 17.675 6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.343 17.837 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.354 18.303 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.348 18.270 7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.917 16.096 7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.938 15.909 6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.263 16.084 6.310 1.00 0.00 H new ATOM 372 N GLY A 25 -7.401 23.235 7.119 1.00 0.00 N ATOM 373 CA GLY A 25 -7.750 24.038 8.330 1.00 0.00 C ATOM 374 C GLY A 25 -8.622 25.234 7.913 1.00 0.00 C ATOM 375 O GLY A 25 -9.536 25.646 8.601 1.00 0.00 O ATOM 0 H GLY A 25 -6.399 23.132 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.284 23.418 9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.843 24.389 8.822 1.00 0.00 H new ATOM 379 N GLU A 26 -8.262 25.728 6.762 1.00 0.00 N ATOM 380 CA GLU A 26 -8.918 26.892 6.095 1.00 0.00 C ATOM 381 C GLU A 26 -9.996 26.397 5.115 1.00 0.00 C ATOM 382 O GLU A 26 -10.925 27.102 4.769 1.00 0.00 O ATOM 383 CB GLU A 26 -7.850 27.664 5.331 1.00 0.00 C ATOM 384 CG GLU A 26 -6.629 27.924 6.238 1.00 0.00 C ATOM 385 CD GLU A 26 -7.016 28.838 7.415 1.00 0.00 C ATOM 386 OE1 GLU A 26 -7.302 29.995 7.142 1.00 0.00 O ATOM 387 OE2 GLU A 26 -7.010 28.325 8.522 1.00 0.00 O ATOM 0 H GLU A 26 -7.487 25.345 6.221 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.391 27.532 6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.544 27.100 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.258 28.611 4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.242 26.978 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.830 28.386 5.658 1.00 0.00 H new ATOM 394 N HIS A 27 -9.790 25.174 4.714 1.00 0.00 N ATOM 395 CA HIS A 27 -10.658 24.424 3.762 1.00 0.00 C ATOM 396 C HIS A 27 -11.364 23.219 4.430 1.00 0.00 C ATOM 397 O HIS A 27 -11.131 22.093 4.033 1.00 0.00 O ATOM 398 CB HIS A 27 -9.744 23.961 2.598 1.00 0.00 C ATOM 399 CG HIS A 27 -9.070 25.194 1.998 1.00 0.00 C ATOM 400 ND1 HIS A 27 -7.736 25.455 1.728 1.00 0.00 N flip ATOM 401 CD2 HIS A 27 -9.687 26.266 1.631 1.00 0.00 C flip ATOM 402 CE1 HIS A 27 -7.604 26.661 1.215 1.00 0.00 C flip ATOM 403 NE2 HIS A 27 -8.831 27.121 1.175 1.00 0.00 N flip ATOM 0 H HIS A 27 -8.992 24.626 5.035 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.461 25.068 3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.995 23.257 2.960 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -10.329 23.441 1.839 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.753 26.425 1.695 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.697 27.155 0.901 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.081 28.046 0.825 1.00 0.00 H new ATOM 411 N PRO A 28 -12.211 23.452 5.415 1.00 0.00 N ATOM 412 CA PRO A 28 -13.103 22.393 5.975 1.00 0.00 C ATOM 413 C PRO A 28 -14.325 22.186 5.052 1.00 0.00 C ATOM 414 O PRO A 28 -15.431 21.938 5.491 1.00 0.00 O ATOM 415 CB PRO A 28 -13.446 22.934 7.356 1.00 0.00 C ATOM 416 CG PRO A 28 -13.601 24.447 7.058 1.00 0.00 C ATOM 417 CD PRO A 28 -12.409 24.750 6.122 1.00 0.00 C ATOM 0 HA PRO A 28 -12.656 21.401 6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.362 22.497 7.753 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.658 22.737 8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.555 24.667 6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.558 25.043 7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.635 25.559 5.428 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.521 25.047 6.680 1.00 0.00 H new ATOM 425 N GLY A 29 -14.038 22.302 3.782 1.00 0.00 N ATOM 426 CA GLY A 29 -15.020 22.147 2.680 1.00 0.00 C ATOM 427 C GLY A 29 -14.432 21.160 1.662 1.00 0.00 C ATOM 428 O GLY A 29 -15.119 20.713 0.765 1.00 0.00 O ATOM 0 H GLY A 29 -13.096 22.512 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.971 21.778 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.219 23.109 2.208 1.00 0.00 H new ATOM 432 N LEU A 30 -13.166 20.856 1.843 1.00 0.00 N ATOM 433 CA LEU A 30 -12.438 19.919 0.952 1.00 0.00 C ATOM 434 C LEU A 30 -12.230 18.573 1.635 1.00 0.00 C ATOM 435 O LEU A 30 -12.580 18.366 2.782 1.00 0.00 O ATOM 436 CB LEU A 30 -11.043 20.483 0.592 1.00 0.00 C ATOM 437 CG LEU A 30 -11.104 21.811 -0.186 1.00 0.00 C ATOM 438 CD1 LEU A 30 -9.666 22.211 -0.560 1.00 0.00 C ATOM 439 CD2 LEU A 30 -11.927 21.647 -1.468 1.00 0.00 C ATOM 0 H LEU A 30 -12.597 21.237 2.599 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.041 19.795 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.472 20.633 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.503 19.746 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.575 22.575 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.682 23.150 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.075 22.334 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.221 21.432 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.959 22.596 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.467 20.888 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.941 21.341 -1.212 1.00 0.00 H new ATOM 451 N SER A 31 -11.648 17.707 0.854 1.00 0.00 N ATOM 452 CA SER A 31 -11.326 16.323 1.280 1.00 0.00 C ATOM 453 C SER A 31 -9.822 16.167 1.097 1.00 0.00 C ATOM 454 O SER A 31 -9.164 17.061 0.604 1.00 0.00 O ATOM 455 CB SER A 31 -12.088 15.330 0.388 1.00 0.00 C ATOM 456 OG SER A 31 -13.463 15.630 0.595 1.00 0.00 O ATOM 0 H SER A 31 -11.372 17.916 -0.105 1.00 0.00 H new ATOM 0 HA SER A 31 -11.613 16.130 2.314 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.812 15.448 -0.660 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.863 14.299 0.663 1.00 0.00 H new ATOM 0 HG SER A 31 -14.014 15.030 0.050 1.00 0.00 H new ATOM 462 N ILE A 32 -9.317 15.025 1.479 1.00 0.00 N ATOM 463 CA ILE A 32 -7.862 14.728 1.364 1.00 0.00 C ATOM 464 C ILE A 32 -7.524 14.233 -0.053 1.00 0.00 C ATOM 465 O ILE A 32 -6.545 13.564 -0.321 1.00 0.00 O ATOM 466 CB ILE A 32 -7.615 13.702 2.435 1.00 0.00 C ATOM 467 CG1 ILE A 32 -6.109 13.493 2.663 1.00 0.00 C ATOM 468 CG2 ILE A 32 -8.317 12.372 2.019 1.00 0.00 C ATOM 469 CD1 ILE A 32 -5.935 12.659 3.929 1.00 0.00 C ATOM 0 H ILE A 32 -9.869 14.265 1.877 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.221 15.598 1.506 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.031 14.050 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.661 12.986 1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.602 14.453 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.148 11.616 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.388 12.544 1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.907 12.025 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.873 12.496 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.374 13.187 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.433 11.698 3.803 1.00 0.00 H new ATOM 481 N GLY A 33 -8.426 14.623 -0.897 1.00 0.00 N ATOM 482 CA GLY A 33 -8.405 14.330 -2.350 1.00 0.00 C ATOM 483 C GLY A 33 -8.338 15.658 -3.117 1.00 0.00 C ATOM 484 O GLY A 33 -7.810 15.689 -4.210 1.00 0.00 O ATOM 0 H GLY A 33 -9.236 15.174 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.546 13.706 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.297 13.772 -2.636 1.00 0.00 H new ATOM 488 N ASP A 34 -8.857 16.716 -2.528 1.00 0.00 N ATOM 489 CA ASP A 34 -8.844 18.049 -3.203 1.00 0.00 C ATOM 490 C ASP A 34 -7.818 18.928 -2.503 1.00 0.00 C ATOM 491 O ASP A 34 -7.014 19.577 -3.140 1.00 0.00 O ATOM 492 CB ASP A 34 -10.243 18.670 -3.112 1.00 0.00 C ATOM 493 CG ASP A 34 -10.316 19.898 -4.051 1.00 0.00 C ATOM 494 OD1 ASP A 34 -9.620 20.861 -3.773 1.00 0.00 O ATOM 495 OD2 ASP A 34 -11.070 19.801 -5.005 1.00 0.00 O ATOM 0 H ASP A 34 -9.290 16.707 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.577 17.951 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.999 17.937 -3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.455 18.969 -2.085 1.00 0.00 H new ATOM 500 N VAL A 35 -7.856 18.938 -1.200 1.00 0.00 N ATOM 501 CA VAL A 35 -6.878 19.763 -0.431 1.00 0.00 C ATOM 502 C VAL A 35 -5.512 19.150 -0.814 1.00 0.00 C ATOM 503 O VAL A 35 -4.481 19.795 -0.839 1.00 0.00 O ATOM 504 CB VAL A 35 -7.234 19.605 1.062 1.00 0.00 C ATOM 505 CG1 VAL A 35 -6.523 18.438 1.750 1.00 0.00 C ATOM 506 CG2 VAL A 35 -6.894 20.893 1.811 1.00 0.00 C ATOM 0 H VAL A 35 -8.521 18.412 -0.633 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.876 20.833 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.303 19.393 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.825 18.394 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.792 17.505 1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.444 18.583 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.147 20.778 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.828 21.100 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.464 21.721 1.389 1.00 0.00 H new ATOM 516 N ALA A 36 -5.600 17.877 -1.116 1.00 0.00 N ATOM 517 CA ALA A 36 -4.424 17.073 -1.520 1.00 0.00 C ATOM 518 C ALA A 36 -4.136 17.420 -2.980 1.00 0.00 C ATOM 519 O ALA A 36 -2.995 17.599 -3.347 1.00 0.00 O ATOM 520 CB ALA A 36 -4.771 15.607 -1.367 1.00 0.00 C ATOM 0 H ALA A 36 -6.474 17.352 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.546 17.281 -0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.916 14.998 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.025 15.400 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.623 15.366 -2.003 1.00 0.00 H new ATOM 526 N LYS A 37 -5.174 17.505 -3.778 1.00 0.00 N ATOM 527 CA LYS A 37 -5.014 17.849 -5.233 1.00 0.00 C ATOM 528 C LYS A 37 -4.123 19.100 -5.342 1.00 0.00 C ATOM 529 O LYS A 37 -3.173 19.149 -6.099 1.00 0.00 O ATOM 530 CB LYS A 37 -6.406 18.113 -5.804 1.00 0.00 C ATOM 531 CG LYS A 37 -6.395 18.570 -7.258 1.00 0.00 C ATOM 532 CD LYS A 37 -7.845 18.975 -7.566 1.00 0.00 C ATOM 533 CE LYS A 37 -7.954 19.480 -9.011 1.00 0.00 C ATOM 534 NZ LYS A 37 -9.356 19.898 -9.292 1.00 0.00 N ATOM 0 H LYS A 37 -6.138 17.349 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.544 17.040 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.001 17.203 -5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.900 18.872 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.713 19.408 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.061 17.770 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.508 18.123 -7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.168 19.753 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.276 20.320 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.652 18.695 -9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.427 20.240 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.993 19.086 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.628 20.660 -8.639 1.00 0.00 H new ATOM 548 N LYS A 38 -4.493 20.072 -4.546 1.00 0.00 N ATOM 549 CA LYS A 38 -3.786 21.375 -4.473 1.00 0.00 C ATOM 550 C LYS A 38 -2.314 21.085 -4.238 1.00 0.00 C ATOM 551 O LYS A 38 -1.492 21.540 -5.003 1.00 0.00 O ATOM 552 CB LYS A 38 -4.413 22.183 -3.320 1.00 0.00 C ATOM 553 CG LYS A 38 -3.831 23.605 -3.276 1.00 0.00 C ATOM 554 CD LYS A 38 -4.539 24.386 -2.149 1.00 0.00 C ATOM 555 CE LYS A 38 -3.955 25.807 -2.038 1.00 0.00 C ATOM 556 NZ LYS A 38 -4.161 26.556 -3.312 1.00 0.00 N ATOM 0 H LYS A 38 -5.294 20.005 -3.918 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.878 21.959 -5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.494 22.231 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.227 21.679 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.757 23.570 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.977 24.105 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.609 24.439 -2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.419 23.861 -1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.431 26.339 -1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.891 25.753 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.000 27.570 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.492 26.211 -4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.135 26.410 -3.647 1.00 0.00 H new ATOM 570 N LEU A 39 -2.021 20.345 -3.194 1.00 0.00 N ATOM 571 CA LEU A 39 -0.594 19.997 -2.885 1.00 0.00 C ATOM 572 C LEU A 39 0.058 19.460 -4.161 1.00 0.00 C ATOM 573 O LEU A 39 1.091 19.934 -4.588 1.00 0.00 O ATOM 574 CB LEU A 39 -0.569 18.932 -1.729 1.00 0.00 C ATOM 575 CG LEU A 39 -1.074 19.646 -0.464 1.00 0.00 C ATOM 576 CD1 LEU A 39 -1.405 18.690 0.702 1.00 0.00 C ATOM 577 CD2 LEU A 39 0.048 20.542 0.070 1.00 0.00 C ATOM 0 H LEU A 39 -2.708 19.966 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.036 20.871 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.204 18.080 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.439 18.546 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.977 20.178 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.755 19.267 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.184 17.994 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.511 18.133 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.294 21.057 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.918 19.931 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.319 21.277 -0.688 1.00 0.00 H new ATOM 589 N GLY A 40 -0.612 18.479 -4.698 1.00 0.00 N ATOM 590 CA GLY A 40 -0.213 17.769 -5.960 1.00 0.00 C ATOM 591 C GLY A 40 0.393 18.720 -6.989 1.00 0.00 C ATOM 592 O GLY A 40 1.328 18.391 -7.693 1.00 0.00 O ATOM 0 H GLY A 40 -1.474 18.116 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.507 16.986 -5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.086 17.279 -6.391 1.00 0.00 H new ATOM 596 N GLU A 41 -0.193 19.885 -7.009 1.00 0.00 N ATOM 597 CA GLU A 41 0.229 20.968 -7.937 1.00 0.00 C ATOM 598 C GLU A 41 1.305 21.830 -7.272 1.00 0.00 C ATOM 599 O GLU A 41 2.406 21.915 -7.772 1.00 0.00 O ATOM 600 CB GLU A 41 -0.995 21.824 -8.267 1.00 0.00 C ATOM 601 CG GLU A 41 -2.099 20.947 -8.900 1.00 0.00 C ATOM 602 CD GLU A 41 -3.412 21.746 -8.955 1.00 0.00 C ATOM 603 OE1 GLU A 41 -3.448 22.693 -9.726 1.00 0.00 O ATOM 604 OE2 GLU A 41 -4.307 21.364 -8.217 1.00 0.00 O ATOM 0 H GLU A 41 -0.972 20.137 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 41 0.642 20.540 -8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.371 22.299 -7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.716 22.623 -8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.805 20.639 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.237 20.038 -8.315 1.00 0.00 H new ATOM 611 N MET A 42 0.960 22.439 -6.166 1.00 0.00 N ATOM 612 CA MET A 42 1.920 23.318 -5.410 1.00 0.00 C ATOM 613 C MET A 42 3.369 22.791 -5.356 1.00 0.00 C ATOM 614 O MET A 42 4.315 23.543 -5.475 1.00 0.00 O ATOM 615 CB MET A 42 1.426 23.515 -3.965 1.00 0.00 C ATOM 616 CG MET A 42 0.082 24.264 -3.950 1.00 0.00 C ATOM 617 SD MET A 42 -0.358 25.131 -2.422 1.00 0.00 S ATOM 618 CE MET A 42 -0.613 23.700 -1.344 1.00 0.00 C ATOM 0 H MET A 42 0.035 22.366 -5.742 1.00 0.00 H new ATOM 0 HA MET A 42 1.943 24.256 -5.964 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.314 22.546 -3.478 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.167 24.075 -3.395 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.090 24.991 -4.762 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.708 23.547 -4.172 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.372 23.937 -0.598 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.944 22.850 -1.940 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.323 23.450 -0.843 1.00 0.00 H new ATOM 628 N TRP A 43 3.479 21.504 -5.170 1.00 0.00 N ATOM 629 CA TRP A 43 4.790 20.793 -5.087 1.00 0.00 C ATOM 630 C TRP A 43 5.711 21.027 -6.283 1.00 0.00 C ATOM 631 O TRP A 43 6.918 21.071 -6.157 1.00 0.00 O ATOM 632 CB TRP A 43 4.485 19.306 -4.939 1.00 0.00 C ATOM 633 CG TRP A 43 5.783 18.516 -5.092 1.00 0.00 C ATOM 634 CD1 TRP A 43 6.161 17.837 -6.199 1.00 0.00 C ATOM 635 CD2 TRP A 43 6.743 18.400 -4.170 1.00 0.00 C ATOM 636 NE1 TRP A 43 7.332 17.351 -5.870 1.00 0.00 N ATOM 637 CE2 TRP A 43 7.778 17.630 -4.664 1.00 0.00 C ATOM 638 CE3 TRP A 43 6.804 18.924 -2.897 1.00 0.00 C ATOM 639 CZ2 TRP A 43 8.890 17.372 -3.888 1.00 0.00 C ATOM 640 CZ3 TRP A 43 7.918 18.670 -2.110 1.00 0.00 C ATOM 641 CH2 TRP A 43 8.965 17.891 -2.606 1.00 0.00 C ATOM 0 H TRP A 43 2.674 20.887 -5.067 1.00 0.00 H new ATOM 0 HA TRP A 43 5.337 21.191 -4.233 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.036 19.109 -3.965 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.762 18.993 -5.692 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.626 17.723 -7.130 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.874 16.782 -6.520 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.993 19.526 -2.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.697 16.769 -4.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.975 19.076 -1.111 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.831 17.694 -1.992 1.00 0.00 H new ATOM 652 N ASN A 44 5.086 21.173 -7.409 1.00 0.00 N ATOM 653 CA ASN A 44 5.810 21.404 -8.682 1.00 0.00 C ATOM 654 C ASN A 44 6.059 22.903 -8.733 1.00 0.00 C ATOM 655 O ASN A 44 7.022 23.376 -9.304 1.00 0.00 O ATOM 656 CB ASN A 44 4.926 20.963 -9.855 1.00 0.00 C ATOM 657 CG ASN A 44 4.498 19.507 -9.648 1.00 0.00 C ATOM 658 OD1 ASN A 44 5.307 18.599 -9.626 1.00 0.00 O ATOM 659 ND2 ASN A 44 3.231 19.245 -9.492 1.00 0.00 N ATOM 0 H ASN A 44 4.071 21.141 -7.503 1.00 0.00 H new ATOM 0 HA ASN A 44 6.742 20.843 -8.744 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.048 21.605 -9.925 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.471 21.064 -10.794 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.923 18.283 -9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.548 20.002 -9.509 1.00 0.00 H new ATOM 666 N ASN A 45 5.140 23.585 -8.104 1.00 0.00 N ATOM 667 CA ASN A 45 5.174 25.056 -8.020 1.00 0.00 C ATOM 668 C ASN A 45 5.865 25.536 -6.722 1.00 0.00 C ATOM 669 O ASN A 45 5.568 26.619 -6.255 1.00 0.00 O ATOM 670 CB ASN A 45 3.724 25.552 -8.073 1.00 0.00 C ATOM 671 CG ASN A 45 2.964 24.926 -9.249 1.00 0.00 C ATOM 672 OD1 ASN A 45 1.861 24.274 -8.997 1.00 0.00 O flip ATOM 673 ND2 ASN A 45 3.359 25.024 -10.393 1.00 0.00 N flip ATOM 0 H ASN A 45 4.343 23.158 -7.632 1.00 0.00 H new ATOM 0 HA ASN A 45 5.753 25.460 -8.850 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.219 25.307 -7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.712 26.638 -8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.220 25.533 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.830 24.598 -11.154 1.00 0.00 H new ATOM 680 N THR A 46 6.763 24.742 -6.169 1.00 0.00 N ATOM 681 CA THR A 46 7.462 25.167 -4.926 1.00 0.00 C ATOM 682 C THR A 46 8.797 25.734 -5.436 1.00 0.00 C ATOM 683 O THR A 46 8.828 26.245 -6.540 1.00 0.00 O ATOM 684 CB THR A 46 7.575 23.901 -3.973 1.00 0.00 C ATOM 685 OG1 THR A 46 8.028 24.437 -2.735 1.00 0.00 O ATOM 686 CG2 THR A 46 8.645 22.864 -4.277 1.00 0.00 C ATOM 0 H THR A 46 7.033 23.827 -6.529 1.00 0.00 H new ATOM 0 HA THR A 46 6.963 25.926 -4.323 1.00 0.00 H new ATOM 0 HB THR A 46 6.609 23.401 -4.044 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.124 23.714 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.595 22.063 -3.539 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.480 22.452 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.628 23.333 -4.237 1.00 0.00 H new ATOM 694 N ALA A 47 9.851 25.656 -4.679 1.00 0.00 N ATOM 695 CA ALA A 47 11.160 26.226 -5.163 1.00 0.00 C ATOM 696 C ALA A 47 12.303 25.289 -5.508 1.00 0.00 C ATOM 697 O ALA A 47 13.438 25.724 -5.568 1.00 0.00 O ATOM 698 CB ALA A 47 11.596 27.187 -4.100 1.00 0.00 C ATOM 0 H ALA A 47 9.876 25.229 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 47 10.946 26.657 -6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.545 27.641 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.842 27.966 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.718 26.655 -3.157 1.00 0.00 H new ATOM 704 N ALA A 48 11.956 24.058 -5.755 1.00 0.00 N ATOM 705 CA ALA A 48 12.915 22.955 -6.107 1.00 0.00 C ATOM 706 C ALA A 48 14.318 23.062 -5.458 1.00 0.00 C ATOM 707 O ALA A 48 15.322 22.563 -5.926 1.00 0.00 O ATOM 708 CB ALA A 48 13.000 22.973 -7.602 1.00 0.00 C ATOM 0 H ALA A 48 10.985 23.748 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 48 12.540 22.013 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.684 22.193 -7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.011 22.795 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.367 23.944 -7.934 1.00 0.00 H new ATOM 714 N ASP A 49 14.249 23.749 -4.358 1.00 0.00 N ATOM 715 CA ASP A 49 15.355 24.084 -3.423 1.00 0.00 C ATOM 716 C ASP A 49 14.796 23.617 -2.074 1.00 0.00 C ATOM 717 O ASP A 49 15.492 23.127 -1.207 1.00 0.00 O ATOM 718 CB ASP A 49 15.589 25.610 -3.450 1.00 0.00 C ATOM 719 CG ASP A 49 16.706 26.012 -2.468 1.00 0.00 C ATOM 720 OD1 ASP A 49 16.451 25.926 -1.276 1.00 0.00 O ATOM 721 OD2 ASP A 49 17.757 26.383 -2.964 1.00 0.00 O ATOM 0 H ASP A 49 13.360 24.134 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 49 16.315 23.624 -3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.856 25.923 -4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.666 26.128 -3.189 1.00 0.00 H new ATOM 726 N ASP A 50 13.505 23.813 -1.993 1.00 0.00 N ATOM 727 CA ASP A 50 12.678 23.461 -0.817 1.00 0.00 C ATOM 728 C ASP A 50 12.191 22.021 -0.940 1.00 0.00 C ATOM 729 O ASP A 50 11.646 21.483 0.004 1.00 0.00 O ATOM 730 CB ASP A 50 11.496 24.406 -0.773 1.00 0.00 C ATOM 731 CG ASP A 50 11.890 25.721 -0.073 1.00 0.00 C ATOM 732 OD1 ASP A 50 12.141 25.649 1.119 1.00 0.00 O ATOM 733 OD2 ASP A 50 11.924 26.726 -0.764 1.00 0.00 O ATOM 0 H ASP A 50 12.965 24.231 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 50 13.263 23.550 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.150 24.614 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.667 23.938 -0.243 1.00 0.00 H new ATOM 738 N LYS A 51 12.405 21.431 -2.089 1.00 0.00 N ATOM 739 CA LYS A 51 11.962 20.023 -2.288 1.00 0.00 C ATOM 740 C LYS A 51 13.094 19.185 -1.747 1.00 0.00 C ATOM 741 O LYS A 51 12.883 18.234 -1.025 1.00 0.00 O ATOM 742 CB LYS A 51 11.769 19.671 -3.786 1.00 0.00 C ATOM 743 CG LYS A 51 10.501 20.351 -4.317 1.00 0.00 C ATOM 744 CD LYS A 51 10.038 19.711 -5.653 1.00 0.00 C ATOM 745 CE LYS A 51 10.891 20.152 -6.827 1.00 0.00 C ATOM 746 NZ LYS A 51 10.431 19.470 -8.070 1.00 0.00 N ATOM 0 H LYS A 51 12.864 21.862 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 51 11.004 19.854 -1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.636 19.997 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.693 18.591 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.705 20.270 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.691 21.414 -4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.077 18.625 -5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.998 19.979 -5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.826 21.233 -6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.938 19.915 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.019 19.776 -8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.515 18.440 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.438 19.718 -8.255 1.00 0.00 H new ATOM 760 N GLN A 52 14.267 19.608 -2.133 1.00 0.00 N ATOM 761 CA GLN A 52 15.555 18.957 -1.747 1.00 0.00 C ATOM 762 C GLN A 52 15.503 18.208 -0.401 1.00 0.00 C ATOM 763 O GLN A 52 15.792 17.028 -0.384 1.00 0.00 O ATOM 764 CB GLN A 52 16.650 20.062 -1.739 1.00 0.00 C ATOM 765 CG GLN A 52 16.705 20.796 -3.103 1.00 0.00 C ATOM 766 CD GLN A 52 16.902 19.809 -4.260 1.00 0.00 C ATOM 767 OE1 GLN A 52 17.867 19.072 -4.315 1.00 0.00 O ATOM 768 NE2 GLN A 52 16.004 19.765 -5.206 1.00 0.00 N ATOM 0 H GLN A 52 14.390 20.423 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 52 15.781 18.180 -2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 52 16.443 20.779 -0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 52 17.621 19.616 -1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 52 15.783 21.357 -3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 52 17.520 21.519 -3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.191 20.380 -5.167 1.00 0.00 H new ATOM 0 HE22 GLN A 52 16.115 19.115 -5.984 1.00 0.00 H new ATOM 777 N PRO A 53 15.142 18.860 0.685 1.00 0.00 N ATOM 778 CA PRO A 53 15.015 18.183 2.006 1.00 0.00 C ATOM 779 C PRO A 53 14.089 16.960 1.924 1.00 0.00 C ATOM 780 O PRO A 53 14.485 15.846 2.203 1.00 0.00 O ATOM 781 CB PRO A 53 14.498 19.286 2.946 1.00 0.00 C ATOM 782 CG PRO A 53 13.822 20.295 1.984 1.00 0.00 C ATOM 783 CD PRO A 53 14.786 20.307 0.789 1.00 0.00 C ATOM 0 HA PRO A 53 15.956 17.769 2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.791 18.892 3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.310 19.749 3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.821 19.973 1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.722 21.282 2.435 1.00 0.00 H new ATOM 0 HD2 PRO A 53 14.311 20.680 -0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.659 20.933 0.972 1.00 0.00 H new ATOM 791 N TYR A 54 12.869 17.219 1.521 1.00 0.00 N ATOM 792 CA TYR A 54 11.839 16.147 1.389 1.00 0.00 C ATOM 793 C TYR A 54 12.393 15.006 0.561 1.00 0.00 C ATOM 794 O TYR A 54 12.264 13.862 0.931 1.00 0.00 O ATOM 795 CB TYR A 54 10.596 16.705 0.701 1.00 0.00 C ATOM 796 CG TYR A 54 10.120 17.999 1.379 1.00 0.00 C ATOM 797 CD1 TYR A 54 10.000 18.116 2.745 1.00 0.00 C ATOM 798 CD2 TYR A 54 9.790 19.076 0.598 1.00 0.00 C ATOM 799 CE1 TYR A 54 9.560 19.295 3.296 1.00 0.00 C ATOM 800 CE2 TYR A 54 9.347 20.255 1.140 1.00 0.00 C ATOM 801 CZ TYR A 54 9.227 20.376 2.505 1.00 0.00 C ATOM 802 OH TYR A 54 8.779 21.551 3.072 1.00 0.00 O ATOM 0 H TYR A 54 12.539 18.152 1.273 1.00 0.00 H new ATOM 0 HA TYR A 54 11.575 15.786 2.383 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.815 16.901 -0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.798 15.963 0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.251 17.282 3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.882 18.994 -0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.473 19.378 4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.093 21.085 0.498 1.00 0.00 H new ATOM 0 HH TYR A 54 8.221 21.346 3.851 1.00 0.00 H new ATOM 812 N GLU A 55 12.992 15.366 -0.544 1.00 0.00 N ATOM 813 CA GLU A 55 13.580 14.343 -1.444 1.00 0.00 C ATOM 814 C GLU A 55 14.575 13.477 -0.692 1.00 0.00 C ATOM 815 O GLU A 55 14.370 12.286 -0.637 1.00 0.00 O ATOM 816 CB GLU A 55 14.258 15.054 -2.640 1.00 0.00 C ATOM 817 CG GLU A 55 13.214 15.983 -3.294 1.00 0.00 C ATOM 818 CD GLU A 55 13.717 16.568 -4.623 1.00 0.00 C ATOM 819 OE1 GLU A 55 14.699 17.290 -4.564 1.00 0.00 O ATOM 820 OE2 GLU A 55 13.091 16.262 -5.623 1.00 0.00 O ATOM 0 H GLU A 55 13.097 16.330 -0.859 1.00 0.00 H new ATOM 0 HA GLU A 55 12.792 13.689 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.121 15.628 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.623 14.323 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.293 15.427 -3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.972 16.795 -2.609 1.00 0.00 H new ATOM 827 N LYS A 56 15.613 14.053 -0.143 1.00 0.00 N ATOM 828 CA LYS A 56 16.617 13.230 0.620 1.00 0.00 C ATOM 829 C LYS A 56 15.918 12.217 1.544 1.00 0.00 C ATOM 830 O LYS A 56 16.339 11.081 1.649 1.00 0.00 O ATOM 831 CB LYS A 56 17.505 14.166 1.459 1.00 0.00 C ATOM 832 CG LYS A 56 18.314 15.083 0.523 1.00 0.00 C ATOM 833 CD LYS A 56 19.127 16.084 1.374 1.00 0.00 C ATOM 834 CE LYS A 56 19.846 17.077 0.444 1.00 0.00 C ATOM 835 NZ LYS A 56 18.846 17.884 -0.312 1.00 0.00 N ATOM 0 H LYS A 56 15.814 15.052 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 56 17.225 12.675 -0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.889 14.765 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 56 18.179 13.581 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 56 18.983 14.489 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 56 17.644 15.619 -0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 56 18.466 16.620 2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.854 15.551 1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.489 17.735 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.489 16.537 -0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 19.296 18.752 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 18.487 17.329 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.056 18.135 0.316 1.00 0.00 H new ATOM 849 N LYS A 57 14.857 12.667 2.171 1.00 0.00 N ATOM 850 CA LYS A 57 14.095 11.771 3.103 1.00 0.00 C ATOM 851 C LYS A 57 13.456 10.674 2.247 1.00 0.00 C ATOM 852 O LYS A 57 13.781 9.513 2.394 1.00 0.00 O ATOM 853 CB LYS A 57 13.007 12.594 3.836 1.00 0.00 C ATOM 854 CG LYS A 57 13.673 13.738 4.632 1.00 0.00 C ATOM 855 CD LYS A 57 12.581 14.649 5.235 1.00 0.00 C ATOM 856 CE LYS A 57 13.235 15.875 5.901 1.00 0.00 C ATOM 857 NZ LYS A 57 14.129 15.455 7.020 1.00 0.00 N ATOM 0 H LYS A 57 14.486 13.613 2.079 1.00 0.00 H new ATOM 0 HA LYS A 57 14.748 11.331 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.299 13.003 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.441 11.950 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.298 13.328 5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.326 14.318 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.892 14.972 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.995 14.094 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.808 16.434 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.463 16.545 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.412 16.291 7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.623 14.788 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.976 14.993 6.633 1.00 0.00 H new ATOM 871 N ALA A 58 12.561 11.081 1.385 1.00 0.00 N ATOM 872 CA ALA A 58 11.848 10.140 0.463 1.00 0.00 C ATOM 873 C ALA A 58 12.794 9.069 -0.097 1.00 0.00 C ATOM 874 O ALA A 58 12.464 7.903 -0.112 1.00 0.00 O ATOM 875 CB ALA A 58 11.246 10.949 -0.677 1.00 0.00 C ATOM 0 H ALA A 58 12.285 12.057 1.277 1.00 0.00 H new ATOM 0 HA ALA A 58 11.068 9.623 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.722 10.281 -1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.544 11.679 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.040 11.467 -1.214 1.00 0.00 H new ATOM 881 N ALA A 59 13.945 9.517 -0.533 1.00 0.00 N ATOM 882 CA ALA A 59 14.985 8.622 -1.108 1.00 0.00 C ATOM 883 C ALA A 59 15.359 7.601 -0.043 1.00 0.00 C ATOM 884 O ALA A 59 15.118 6.430 -0.233 1.00 0.00 O ATOM 885 CB ALA A 59 16.207 9.468 -1.509 1.00 0.00 C ATOM 0 H ALA A 59 14.211 10.501 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 59 14.619 8.106 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 59 16.975 8.820 -1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 59 15.909 10.209 -2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 59 16.604 9.974 -0.629 1.00 0.00 H new ATOM 891 N LYS A 60 15.930 8.067 1.040 1.00 0.00 N ATOM 892 CA LYS A 60 16.334 7.148 2.160 1.00 0.00 C ATOM 893 C LYS A 60 15.244 6.071 2.404 1.00 0.00 C ATOM 894 O LYS A 60 15.496 4.883 2.439 1.00 0.00 O ATOM 895 CB LYS A 60 16.548 8.002 3.427 1.00 0.00 C ATOM 896 CG LYS A 60 17.026 7.120 4.602 1.00 0.00 C ATOM 897 CD LYS A 60 17.222 8.007 5.851 1.00 0.00 C ATOM 898 CE LYS A 60 17.674 7.146 7.046 1.00 0.00 C ATOM 899 NZ LYS A 60 18.993 6.508 6.764 1.00 0.00 N ATOM 0 H LYS A 60 16.137 9.053 1.201 1.00 0.00 H new ATOM 0 HA LYS A 60 17.256 6.627 1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 60 17.284 8.781 3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.618 8.503 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 60 16.295 6.338 4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 60 17.961 6.623 4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.965 8.778 5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.291 8.519 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.747 7.765 7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.928 6.378 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.393 6.132 7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 18.865 5.731 6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.642 7.215 6.363 1.00 0.00 H new ATOM 913 N LEU A 61 14.043 6.560 2.559 1.00 0.00 N ATOM 914 CA LEU A 61 12.853 5.690 2.806 1.00 0.00 C ATOM 915 C LEU A 61 12.610 4.656 1.681 1.00 0.00 C ATOM 916 O LEU A 61 12.659 3.467 1.936 1.00 0.00 O ATOM 917 CB LEU A 61 11.636 6.633 2.986 1.00 0.00 C ATOM 918 CG LEU A 61 11.892 7.621 4.173 1.00 0.00 C ATOM 919 CD1 LEU A 61 10.791 8.694 4.205 1.00 0.00 C ATOM 920 CD2 LEU A 61 11.865 6.864 5.522 1.00 0.00 C ATOM 0 H LEU A 61 13.830 7.557 2.524 1.00 0.00 H new ATOM 0 HA LEU A 61 13.021 5.089 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.461 7.193 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.737 6.047 3.178 1.00 0.00 H new ATOM 0 HG LEU A 61 12.869 8.081 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.974 9.379 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.797 9.249 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.821 8.216 4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.045 7.566 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.891 6.394 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.641 6.098 5.525 1.00 0.00 H new ATOM 932 N LYS A 62 12.356 5.097 0.468 1.00 0.00 N ATOM 933 CA LYS A 62 12.116 4.118 -0.643 1.00 0.00 C ATOM 934 C LYS A 62 13.320 3.191 -0.805 1.00 0.00 C ATOM 935 O LYS A 62 13.161 2.037 -1.134 1.00 0.00 O ATOM 936 CB LYS A 62 11.839 4.880 -1.977 1.00 0.00 C ATOM 937 CG LYS A 62 13.076 5.606 -2.545 1.00 0.00 C ATOM 938 CD LYS A 62 12.687 6.249 -3.895 1.00 0.00 C ATOM 939 CE LYS A 62 13.929 6.853 -4.573 1.00 0.00 C ATOM 940 NZ LYS A 62 13.549 7.450 -5.883 1.00 0.00 N ATOM 0 H LYS A 62 12.305 6.080 0.202 1.00 0.00 H new ATOM 0 HA LYS A 62 11.244 3.513 -0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.471 4.172 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.046 5.609 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.422 6.369 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.898 4.904 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.236 5.500 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.938 7.024 -3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.371 7.615 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.685 6.082 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.392 7.857 -6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.147 6.713 -6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.842 8.198 -5.732 1.00 0.00 H new ATOM 954 N GLU A 63 14.497 3.706 -0.575 1.00 0.00 N ATOM 955 CA GLU A 63 15.737 2.889 -0.694 1.00 0.00 C ATOM 956 C GLU A 63 15.549 1.668 0.222 1.00 0.00 C ATOM 957 O GLU A 63 15.596 0.546 -0.242 1.00 0.00 O ATOM 958 CB GLU A 63 16.930 3.764 -0.255 1.00 0.00 C ATOM 959 CG GLU A 63 18.248 2.985 -0.427 1.00 0.00 C ATOM 960 CD GLU A 63 19.420 3.841 0.090 1.00 0.00 C ATOM 961 OE1 GLU A 63 19.654 4.877 -0.514 1.00 0.00 O ATOM 962 OE2 GLU A 63 20.015 3.412 1.065 1.00 0.00 O ATOM 0 H GLU A 63 14.653 4.677 -0.305 1.00 0.00 H new ATOM 0 HA GLU A 63 15.929 2.548 -1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.959 4.678 -0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.808 4.063 0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.201 2.044 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.401 2.735 -1.477 1.00 0.00 H new ATOM 969 N LYS A 64 15.332 1.935 1.492 1.00 0.00 N ATOM 970 CA LYS A 64 15.125 0.854 2.515 1.00 0.00 C ATOM 971 C LYS A 64 14.191 -0.198 1.907 1.00 0.00 C ATOM 972 O LYS A 64 14.489 -1.376 1.851 1.00 0.00 O ATOM 973 CB LYS A 64 14.503 1.487 3.780 1.00 0.00 C ATOM 974 CG LYS A 64 14.335 0.418 4.883 1.00 0.00 C ATOM 975 CD LYS A 64 13.712 1.076 6.129 1.00 0.00 C ATOM 976 CE LYS A 64 13.521 0.013 7.225 1.00 0.00 C ATOM 977 NZ LYS A 64 12.910 0.636 8.434 1.00 0.00 N ATOM 0 H LYS A 64 15.289 2.881 1.871 1.00 0.00 H new ATOM 0 HA LYS A 64 16.065 0.378 2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.138 2.296 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.535 1.926 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.699 -0.393 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.301 -0.021 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.356 1.877 6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.754 1.528 5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.883 -0.791 6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.481 -0.434 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.783 -0.087 9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.534 1.388 8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.986 1.042 8.185 1.00 0.00 H new ATOM 991 N TYR A 65 13.067 0.303 1.466 1.00 0.00 N ATOM 992 CA TYR A 65 12.024 -0.555 0.827 1.00 0.00 C ATOM 993 C TYR A 65 12.661 -1.440 -0.237 1.00 0.00 C ATOM 994 O TYR A 65 12.718 -2.635 -0.062 1.00 0.00 O ATOM 995 CB TYR A 65 10.959 0.400 0.249 1.00 0.00 C ATOM 996 CG TYR A 65 10.057 -0.248 -0.822 1.00 0.00 C ATOM 997 CD1 TYR A 65 8.902 -0.922 -0.489 1.00 0.00 C ATOM 998 CD2 TYR A 65 10.416 -0.174 -2.155 1.00 0.00 C ATOM 999 CE1 TYR A 65 8.128 -1.511 -1.469 1.00 0.00 C ATOM 1000 CE2 TYR A 65 9.644 -0.759 -3.131 1.00 0.00 C ATOM 1001 CZ TYR A 65 8.495 -1.434 -2.794 1.00 0.00 C ATOM 1002 OH TYR A 65 7.724 -2.028 -3.772 1.00 0.00 O ATOM 0 H TYR A 65 12.823 1.292 1.523 1.00 0.00 H new ATOM 0 HA TYR A 65 11.553 -1.232 1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.334 0.768 1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 65 11.458 1.266 -0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.600 -0.990 0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.317 0.352 -2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.226 -2.037 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.942 -0.688 -4.167 1.00 0.00 H new ATOM 0 HH TYR A 65 8.132 -1.873 -4.649 1.00 0.00 H new ATOM 1012 N GLU A 66 13.119 -0.844 -1.304 1.00 0.00 N ATOM 1013 CA GLU A 66 13.771 -1.602 -2.415 1.00 0.00 C ATOM 1014 C GLU A 66 14.688 -2.750 -1.980 1.00 0.00 C ATOM 1015 O GLU A 66 14.865 -3.703 -2.711 1.00 0.00 O ATOM 1016 CB GLU A 66 14.598 -0.669 -3.237 1.00 0.00 C ATOM 1017 CG GLU A 66 13.713 0.427 -3.852 1.00 0.00 C ATOM 1018 CD GLU A 66 14.546 1.325 -4.781 1.00 0.00 C ATOM 1019 OE1 GLU A 66 15.411 2.003 -4.247 1.00 0.00 O ATOM 1020 OE2 GLU A 66 14.273 1.285 -5.968 1.00 0.00 O ATOM 0 H GLU A 66 13.068 0.163 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 66 12.942 -2.045 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 66 15.372 -0.216 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.106 -1.222 -4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.895 -0.027 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.263 1.028 -3.061 1.00 0.00 H new ATOM 1027 N LYS A 67 15.244 -2.623 -0.803 1.00 0.00 N ATOM 1028 CA LYS A 67 16.159 -3.690 -0.301 1.00 0.00 C ATOM 1029 C LYS A 67 15.413 -4.770 0.454 1.00 0.00 C ATOM 1030 O LYS A 67 15.657 -5.942 0.247 1.00 0.00 O ATOM 1031 CB LYS A 67 17.242 -3.085 0.640 1.00 0.00 C ATOM 1032 CG LYS A 67 18.381 -2.408 -0.160 1.00 0.00 C ATOM 1033 CD LYS A 67 17.935 -1.064 -0.768 1.00 0.00 C ATOM 1034 CE LYS A 67 19.066 -0.464 -1.619 1.00 0.00 C ATOM 1035 NZ LYS A 67 19.374 -1.357 -2.773 1.00 0.00 N ATOM 0 H LYS A 67 15.106 -1.833 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 67 16.628 -4.136 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.780 -2.355 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.657 -3.872 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 67 19.237 -2.244 0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.712 -3.075 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.047 -1.212 -1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.661 -0.370 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.774 0.522 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 67 19.958 -0.328 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.871 -0.815 -3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.977 -2.142 -2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.488 -1.738 -3.163 1.00 0.00 H new ATOM 1049 N ASP A 68 14.523 -4.348 1.305 1.00 0.00 N ATOM 1050 CA ASP A 68 13.736 -5.323 2.100 1.00 0.00 C ATOM 1051 C ASP A 68 12.685 -5.986 1.218 1.00 0.00 C ATOM 1052 O ASP A 68 12.189 -7.050 1.538 1.00 0.00 O ATOM 1053 CB ASP A 68 13.055 -4.591 3.238 1.00 0.00 C ATOM 1054 CG ASP A 68 12.493 -5.615 4.250 1.00 0.00 C ATOM 1055 OD1 ASP A 68 13.314 -6.260 4.884 1.00 0.00 O ATOM 1056 OD2 ASP A 68 11.281 -5.706 4.336 1.00 0.00 O ATOM 0 H ASP A 68 14.307 -3.367 1.484 1.00 0.00 H new ATOM 0 HA ASP A 68 14.400 -6.092 2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.764 -3.927 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.249 -3.966 2.852 1.00 0.00 H new ATOM 1061 N ILE A 69 12.383 -5.334 0.124 1.00 0.00 N ATOM 1062 CA ILE A 69 11.374 -5.882 -0.802 1.00 0.00 C ATOM 1063 C ILE A 69 12.131 -6.900 -1.642 1.00 0.00 C ATOM 1064 O ILE A 69 11.660 -7.993 -1.874 1.00 0.00 O ATOM 1065 CB ILE A 69 10.796 -4.675 -1.605 1.00 0.00 C ATOM 1066 CG1 ILE A 69 9.334 -4.932 -1.946 1.00 0.00 C ATOM 1067 CG2 ILE A 69 11.578 -4.354 -2.894 1.00 0.00 C ATOM 1068 CD1 ILE A 69 9.147 -6.241 -2.715 1.00 0.00 C ATOM 0 H ILE A 69 12.797 -4.446 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 69 10.522 -6.382 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 69 10.894 -3.804 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.748 -4.964 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.949 -4.104 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.117 -3.504 -3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.610 -4.110 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.561 -5.220 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.090 -6.384 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.711 -6.200 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.507 -7.073 -2.110 1.00 0.00 H new ATOM 1080 N ALA A 70 13.298 -6.496 -2.065 1.00 0.00 N ATOM 1081 CA ALA A 70 14.157 -7.385 -2.887 1.00 0.00 C ATOM 1082 C ALA A 70 14.563 -8.574 -1.999 1.00 0.00 C ATOM 1083 O ALA A 70 14.831 -9.650 -2.490 1.00 0.00 O ATOM 1084 CB ALA A 70 15.394 -6.606 -3.337 1.00 0.00 C ATOM 0 H ALA A 70 13.694 -5.576 -1.872 1.00 0.00 H new ATOM 0 HA ALA A 70 13.633 -7.741 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 70 16.031 -7.252 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.086 -5.744 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.948 -6.266 -2.462 1.00 0.00 H new ATOM 1090 N ALA A 71 14.576 -8.333 -0.708 1.00 0.00 N ATOM 1091 CA ALA A 71 14.954 -9.393 0.274 1.00 0.00 C ATOM 1092 C ALA A 71 13.763 -10.304 0.587 1.00 0.00 C ATOM 1093 O ALA A 71 13.943 -11.398 1.081 1.00 0.00 O ATOM 1094 CB ALA A 71 15.440 -8.733 1.566 1.00 0.00 C ATOM 0 H ALA A 71 14.337 -7.433 -0.291 1.00 0.00 H new ATOM 0 HA ALA A 71 15.747 -10.001 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 71 15.717 -9.503 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 71 16.307 -8.108 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 71 14.643 -8.117 1.982 1.00 0.00 H new ATOM 1100 N TYR A 72 12.586 -9.816 0.287 1.00 0.00 N ATOM 1101 CA TYR A 72 11.332 -10.594 0.533 1.00 0.00 C ATOM 1102 C TYR A 72 10.776 -11.119 -0.807 1.00 0.00 C ATOM 1103 O TYR A 72 9.845 -11.902 -0.833 1.00 0.00 O ATOM 1104 CB TYR A 72 10.335 -9.647 1.228 1.00 0.00 C ATOM 1105 CG TYR A 72 9.032 -10.390 1.566 1.00 0.00 C ATOM 1106 CD1 TYR A 72 8.900 -11.038 2.777 1.00 0.00 C ATOM 1107 CD2 TYR A 72 7.984 -10.437 0.665 1.00 0.00 C ATOM 1108 CE1 TYR A 72 7.742 -11.721 3.083 1.00 0.00 C ATOM 1109 CE2 TYR A 72 6.827 -11.120 0.973 1.00 0.00 C ATOM 1110 CZ TYR A 72 6.699 -11.768 2.183 1.00 0.00 C ATOM 1111 OH TYR A 72 5.544 -12.455 2.493 1.00 0.00 O ATOM 0 H TYR A 72 12.438 -8.895 -0.125 1.00 0.00 H new ATOM 0 HA TYR A 72 11.517 -11.461 1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 72 10.779 -9.247 2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 72 10.119 -8.798 0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.710 -11.010 3.491 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.073 -9.935 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.651 -12.223 4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.015 -11.148 0.261 1.00 0.00 H new ATOM 0 HH TYR A 72 4.912 -12.385 1.748 1.00 0.00 H new ATOM 1121 N ARG A 73 11.379 -10.678 -1.880 1.00 0.00 N ATOM 1122 CA ARG A 73 10.958 -11.089 -3.252 1.00 0.00 C ATOM 1123 C ARG A 73 11.903 -12.194 -3.726 1.00 0.00 C ATOM 1124 O ARG A 73 11.477 -13.128 -4.376 1.00 0.00 O ATOM 1125 CB ARG A 73 11.040 -9.858 -4.168 1.00 0.00 C ATOM 1126 CG ARG A 73 10.527 -10.196 -5.588 1.00 0.00 C ATOM 1127 CD ARG A 73 10.595 -8.939 -6.477 1.00 0.00 C ATOM 1128 NE ARG A 73 9.737 -7.877 -5.868 1.00 0.00 N ATOM 1129 CZ ARG A 73 8.709 -7.406 -6.522 1.00 0.00 C ATOM 1130 NH1 ARG A 73 7.590 -8.075 -6.497 1.00 0.00 N ATOM 1131 NH2 ARG A 73 8.837 -6.285 -7.174 1.00 0.00 N ATOM 0 H ARG A 73 12.168 -10.032 -1.861 1.00 0.00 H new ATOM 0 HA ARG A 73 9.936 -11.468 -3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.449 -9.045 -3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 73 12.071 -9.507 -4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.129 -10.994 -6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.502 -10.562 -5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.624 -8.591 -6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.252 -9.170 -7.486 1.00 0.00 H new ATOM 0 HE ARG A 73 9.955 -7.519 -4.938 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.530 -8.948 -5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.775 -7.725 -7.001 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.729 -5.791 -7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.045 -5.902 -7.690 1.00 0.00 H new ATOM 1145 N ALA A 74 13.158 -12.049 -3.378 1.00 0.00 N ATOM 1146 CA ALA A 74 14.178 -13.053 -3.773 1.00 0.00 C ATOM 1147 C ALA A 74 14.444 -14.017 -2.601 1.00 0.00 C ATOM 1148 O ALA A 74 15.563 -14.432 -2.370 1.00 0.00 O ATOM 1149 CB ALA A 74 15.452 -12.289 -4.165 1.00 0.00 C ATOM 0 H ALA A 74 13.517 -11.267 -2.831 1.00 0.00 H new ATOM 0 HA ALA A 74 13.834 -13.652 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.225 -12.998 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.234 -11.621 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.803 -11.705 -3.314 1.00 0.00 H new ATOM 1155 N LYS A 75 13.381 -14.342 -1.901 1.00 0.00 N ATOM 1156 CA LYS A 75 13.465 -15.272 -0.736 1.00 0.00 C ATOM 1157 C LYS A 75 12.620 -16.515 -1.037 1.00 0.00 C ATOM 1158 O LYS A 75 11.793 -16.515 -1.929 1.00 0.00 O ATOM 1159 CB LYS A 75 12.937 -14.552 0.514 1.00 0.00 C ATOM 1160 CG LYS A 75 13.084 -15.450 1.777 1.00 0.00 C ATOM 1161 CD LYS A 75 12.713 -14.650 3.049 1.00 0.00 C ATOM 1162 CE LYS A 75 11.216 -14.269 3.041 1.00 0.00 C ATOM 1163 NZ LYS A 75 10.871 -13.544 4.296 1.00 0.00 N ATOM 0 H LYS A 75 12.442 -13.993 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 75 14.497 -15.576 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.484 -13.620 0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.889 -14.288 0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.439 -16.324 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.108 -15.816 1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.937 -15.243 3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.322 -13.748 3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.996 -13.643 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.604 -15.166 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.156 -12.817 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.491 -14.217 4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.724 -13.092 4.681 1.00 0.00 H new ATOM 1177 N GLY A 76 12.866 -17.542 -0.265 1.00 0.00 N ATOM 1178 CA GLY A 76 12.137 -18.832 -0.424 1.00 0.00 C ATOM 1179 C GLY A 76 12.656 -19.493 -1.702 1.00 0.00 C ATOM 1180 O GLY A 76 11.924 -20.143 -2.423 1.00 0.00 O ATOM 0 H GLY A 76 13.557 -17.538 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.305 -19.477 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.062 -18.661 -0.489 1.00 0.00 H new ATOM 1184 N LYS A 77 13.930 -19.282 -1.914 1.00 0.00 N ATOM 1185 CA LYS A 77 14.649 -19.827 -3.099 1.00 0.00 C ATOM 1186 C LYS A 77 15.817 -20.753 -2.719 1.00 0.00 C ATOM 1187 O LYS A 77 15.980 -21.762 -3.379 1.00 0.00 O ATOM 1188 CB LYS A 77 15.163 -18.649 -3.944 1.00 0.00 C ATOM 1189 CG LYS A 77 13.956 -17.858 -4.511 1.00 0.00 C ATOM 1190 CD LYS A 77 14.389 -16.554 -5.236 1.00 0.00 C ATOM 1191 CE LYS A 77 15.247 -16.837 -6.487 1.00 0.00 C ATOM 1192 NZ LYS A 77 16.620 -17.278 -6.106 1.00 0.00 N ATOM 0 H LYS A 77 14.520 -18.733 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 77 13.946 -20.437 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 77 15.787 -17.995 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 77 15.787 -19.016 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.405 -18.491 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.274 -17.609 -3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.502 -15.991 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.953 -15.927 -4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.769 -17.607 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.307 -15.939 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.323 -16.695 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.747 -17.171 -5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.749 -18.276 -6.368 1.00 0.00 H new ATOM 1206 N PRO A 78 16.604 -20.434 -1.705 1.00 0.00 N ATOM 1207 CA PRO A 78 17.626 -21.378 -1.167 1.00 0.00 C ATOM 1208 C PRO A 78 16.985 -22.748 -0.945 1.00 0.00 C ATOM 1209 O PRO A 78 17.533 -23.758 -1.340 1.00 0.00 O ATOM 1210 CB PRO A 78 18.123 -20.699 0.112 1.00 0.00 C ATOM 1211 CG PRO A 78 18.004 -19.204 -0.261 1.00 0.00 C ATOM 1212 CD PRO A 78 16.628 -19.147 -0.944 1.00 0.00 C ATOM 0 HA PRO A 78 18.466 -21.572 -1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 78 17.510 -20.955 0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 78 19.148 -20.980 0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.049 -18.561 0.618 1.00 0.00 H new ATOM 0 HG3 PRO A 78 18.804 -18.887 -0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 78 15.816 -19.086 -0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.534 -18.283 -1.601 1.00 0.00 H new ATOM 1220 N ASP A 79 15.839 -22.682 -0.304 1.00 0.00 N ATOM 1221 CA ASP A 79 14.985 -23.861 0.047 1.00 0.00 C ATOM 1222 C ASP A 79 15.476 -24.425 1.341 1.00 0.00 C ATOM 1223 O ASP A 79 15.905 -25.561 1.401 1.00 0.00 O ATOM 1224 CB ASP A 79 15.036 -24.942 -1.089 1.00 0.00 C ATOM 1225 CG ASP A 79 13.972 -26.027 -0.828 1.00 0.00 C ATOM 1226 OD1 ASP A 79 12.807 -25.664 -0.856 1.00 0.00 O ATOM 1227 OD2 ASP A 79 14.382 -27.157 -0.614 1.00 0.00 O ATOM 0 H ASP A 79 15.440 -21.797 0.008 1.00 0.00 H new ATOM 0 HA ASP A 79 13.946 -23.550 0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.860 -24.473 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.027 -25.394 -1.129 1.00 0.00 H new ATOM 1232 N ALA A 80 15.445 -23.682 2.415 1.00 0.00 N ATOM 1233 CA ALA A 80 14.987 -22.263 2.680 1.00 0.00 C ATOM 1234 C ALA A 80 14.561 -22.258 4.164 1.00 0.00 C ATOM 1235 O ALA A 80 13.435 -21.959 4.518 1.00 0.00 O ATOM 1236 CB ALA A 80 13.732 -21.808 1.850 1.00 0.00 C ATOM 0 H ALA A 80 15.787 -24.087 3.287 1.00 0.00 H new ATOM 0 HA ALA A 80 15.798 -21.586 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 80 13.479 -20.779 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.958 -21.871 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.888 -22.458 2.081 1.00 0.00 H new ATOM 1242 N ALA A 81 15.515 -22.603 4.993 1.00 0.00 N ATOM 1243 CA ALA A 81 15.306 -22.664 6.471 1.00 0.00 C ATOM 1244 C ALA A 81 16.220 -21.665 7.217 1.00 0.00 C ATOM 1245 O ALA A 81 17.041 -21.052 6.551 1.00 0.00 O ATOM 1246 CB ALA A 81 15.593 -24.104 6.932 1.00 0.00 C ATOM 1247 OXT ALA A 81 16.047 -21.569 8.423 1.00 0.00 O ATOM 0 H ALA A 81 16.458 -22.852 4.696 1.00 0.00 H new ATOM 0 HA ALA A 81 14.278 -22.385 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 81 15.448 -24.177 8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.913 -24.790 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.622 -24.366 6.686 1.00 0.00 H new TER 1253 ALA A 81 END