USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) HEADER LIGAND BINDING PROTEIN 25-JUL-05 2AFE TITLE SOLUTION STRUCTURE OF ASL1650, AN ACYL CARRIER PROTEIN FROM ANABAENA TITLE 2 SP. PCC 7120 WITH A VARIANT PHOSPHOPANTETHEINYLATION-SITE SEQUENCE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN ASL1650; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; SOURCE 3 ORGANISM_TAXID: 103690; SOURCE 4 STRAIN: PCC 7120; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)-RIL (STRATAGENE); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28B; SOURCE 0 OTHER_DETAILS: SYNONYM NOSTOC SP. PCC 7120 KEYWDS TWISTED ANTIPARALLEL HELICAL BUNDLE; ACYL CARRIER PROTEIN FAMILY, KEYWDS 2 STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, JOINT CENTER KEYWDS 3 FOR STRUCTURAL GENOMICS, JCSG, LIGAND BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR M.A.JOHNSON,W.PETI,T.HERRMANN,I.A.WILSON,K.WUTHRICH,JOINT CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (JCSG) REVDAT 4 13-JUL-11 2AFE 1 VERSN REVDAT 3 24-FEB-09 2AFE 1 VERSN REVDAT 2 09-MAY-06 2AFE 1 JRNL REVDAT 1 16-AUG-05 2AFE 0 JRNL AUTH M.A.JOHNSON,W.PETI,T.HERRMANN,I.A.WILSON,K.WUTHRICH JRNL TITL SOLUTION STRUCTURE OF ASL1650, AN ACYL CARRIER PROTEIN FROM JRNL TITL 2 ANABAENA SP. PCC 7120 WITH A VARIANT JRNL TITL 3 PHOSPHOPANTETHEINYLATION-SITE SEQUENCE JRNL REF PROTEIN SCI. V. 15 1030 2006 JRNL REFN ISSN 0961-8368 JRNL PMID 16597827 JRNL DOI 10.1110/PS.051964606 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : OPALP 1 REMARK 3 AUTHORS : LUGINBUHL P, GUNTERT P, BILLETER M, WUTHRICH K REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: AUTOMATED NOESY PEAK PICKING, AUTOMATED REMARK 3 NOE ASSIGNMENT REMARK 4 REMARK 4 2AFE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-AUG-05. REMARK 100 THE RCSB ID CODE IS RCSB033828. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303; 303; 303 REMARK 210 PH : 6.0; 6.0; 6.0 REMARK 210 IONIC STRENGTH : 250 MM NACL; 250 MM NACL; 250 MM REMARK 210 NACL REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM ASL1650 U-15N,13C; 20MM REMARK 210 PHOSPHATE BUFFER, PH 6.0; 250 MM REMARK 210 NACL; 2MM NAN3; 2MM ASL1650 U- REMARK 210 15N; 20MM PHOSPHATE BUFFER, PH REMARK 210 6.0; 250 MM NACL; 2MM NAN3; 2MM REMARK 210 ASL1650; 20MM PHOSPHATE BUFFER, REMARK 210 PH 6.0; 250MM NACL; 2MM NAN3 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N- REMARK 210 SEPARATED_NOESY; 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 900 MHZ; 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ATNOS 1, CANDID 1, DYANA 6.01 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : REPRESENTATIVE CONFORMER; REMARK 210 CONFORMER WITH THE LOWEST RMSD TO REMARK 210 THE MEAN COORDINATES OF THE REMARK 210 ENSEMBLE 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 MET A 4 95.27 154.05 REMARK 500 LYS A 5 141.27 159.49 REMARK 500 ILE A 7 -124.97 -132.53 REMARK 500 PRO A 9 93.29 -67.37 REMARK 500 MET A 36 -4.08 -59.47 REMARK 500 LEU A 45 32.11 -73.13 REMARK 500 ASN A 46 -63.82 -24.79 REMARK 500 SER A 47 -61.19 -153.52 REMARK 500 LYS A 63 -153.09 -132.05 REMARK 500 ASN A 72 -32.10 -142.87 REMARK 500 PRO A 74 42.66 -84.30 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 TYR A 73 0.08 SIDE CHAIN REMARK 500 ARG A 82 0.12 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2AFD RELATED DB: PDB REMARK 900 NMR ENSEMBLE REMARK 900 RELATED ID: 354432 RELATED DB: TARGETDB DBREF 2AFE A 4 88 UNP Q8YWG3 Q8YWG3_ANASP 1 85 SEQADV 2AFE GLY A 1 UNP Q8YWG3 CLONING ARTIFACT SEQADV 2AFE SER A 2 UNP Q8YWG3 CLONING ARTIFACT SEQADV 2AFE HIS A 3 UNP Q8YWG3 CLONING ARTIFACT SEQADV 2AFE ALA A 10 UNP Q8YWG3 CYS 7 ENGINEERED SEQRES 1 A 88 GLY SER HIS MET LYS THR ILE GLN PRO ALA SER VAL GLU SEQRES 2 A 88 ASP ILE GLN SER TRP LEU ILE ASP GLN PHE ALA GLN GLN SEQRES 3 A 88 LEU ASP VAL ASP PRO ASP ASP ILE ASP MET GLU GLU SER SEQRES 4 A 88 PHE ASP ASN TYR ASP LEU ASN SER SER LYS ALA LEU ILE SEQRES 5 A 88 LEU LEU GLY ARG LEU GLU LYS TRP LEU GLY LYS GLU LEU SEQRES 6 A 88 ASN PRO VAL LEU ILE PHE ASN TYR PRO THR ILE ALA GLN SEQRES 7 A 88 LEU ALA LYS ARG LEU GLY GLU LEU TYR LEU HELIX 1 1 SER A 11 ASP A 28 1 18 HELIX 2 2 ASP A 30 ILE A 34 5 5 HELIX 3 3 SER A 48 GLY A 62 1 15 HELIX 4 4 ASN A 66 ILE A 70 5 5 HELIX 5 5 THR A 75 TYR A 87 1 13 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 75 THR OG1 : rot -143:sc= 0.679 USER MOD Set 1.2: A 78 GLN : amide:sc= 0.684 K(o=1.4,f=-1.9) USER MOD Set 2.1: A 72 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.3) USER MOD Set 2.2: A 73 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 16 GLN : amide:sc= -0.758 X(o=-0.76,f=-0.4) USER MOD Set 3.2: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.142 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.044) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 8 GLN : amide:sc= 1.18 K(o=1.2,f=-0.033) USER MOD Single : A 11 SER OG : rot 180:sc= -0.15 USER MOD Single : A 17 SER OG : rot 74:sc= 0.0248 USER MOD Single : A 22 GLN : amide:sc= -0.0545 X(o=-0.055,f=-0.39) USER MOD Single : A 25 GLN : amide:sc= 1.06 K(o=1.1,f=-0.032) USER MOD Single : A 26 GLN : amide:sc= -1.6 K(o=-1.6,f=-3.3!) USER MOD Single : A 39 SER OG : rot 180:sc=0.000372 USER MOD Single : A 42 ASN : amide:sc= 0.871 K(o=0.87,f=-0.42) USER MOD Single : A 43 TYR OH : rot -24:sc= 1.46 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0499 USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.01) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot -174:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.966 -12.632 -3.248 1.00 0.00 N ATOM 2 CA GLY A 1 -15.926 -11.721 -2.623 1.00 0.00 C ATOM 3 C GLY A 1 -15.730 -11.691 -1.121 1.00 0.00 C ATOM 4 O GLY A 1 -14.982 -12.506 -0.569 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.331 -12.093 -3.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.407 -13.107 -2.511 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.477 -13.344 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.803 -10.718 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.942 -12.038 -2.857 1.00 0.00 H new ATOM 8 N SER A 2 -16.395 -10.749 -0.447 1.00 0.00 N ATOM 9 CA SER A 2 -16.208 -10.458 0.973 1.00 0.00 C ATOM 10 C SER A 2 -14.717 -10.397 1.348 1.00 0.00 C ATOM 11 O SER A 2 -14.316 -10.906 2.402 1.00 0.00 O ATOM 12 CB SER A 2 -16.991 -11.466 1.833 1.00 0.00 C ATOM 13 OG SER A 2 -18.321 -11.664 1.371 1.00 0.00 O ATOM 0 H SER A 2 -17.096 -10.153 -0.887 1.00 0.00 H new ATOM 0 HA SER A 2 -16.612 -9.467 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.465 -12.421 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.017 -11.114 2.864 1.00 0.00 H new ATOM 0 HG SER A 2 -18.775 -12.313 1.949 1.00 0.00 H new ATOM 19 N HIS A 3 -13.879 -9.841 0.465 1.00 0.00 N ATOM 20 CA HIS A 3 -12.481 -9.597 0.772 1.00 0.00 C ATOM 21 C HIS A 3 -12.409 -8.501 1.837 1.00 0.00 C ATOM 22 O HIS A 3 -13.318 -7.674 1.937 1.00 0.00 O ATOM 23 CB HIS A 3 -11.697 -9.244 -0.506 1.00 0.00 C ATOM 24 CG HIS A 3 -10.219 -9.535 -0.387 1.00 0.00 C ATOM 25 ND1 HIS A 3 -9.179 -8.683 -0.687 1.00 0.00 N ATOM 26 CD2 HIS A 3 -9.669 -10.721 0.012 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.030 -9.329 -0.422 1.00 0.00 C ATOM 28 NE2 HIS A 3 -8.275 -10.585 0.007 1.00 0.00 N ATOM 0 H HIS A 3 -14.156 -9.553 -0.473 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.011 -10.496 1.171 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.107 -9.807 -1.345 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.837 -8.187 -0.732 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.216 -11.611 0.285 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.045 -8.901 -0.537 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.587 -11.290 0.273 1.00 0.00 H new ATOM 36 N MET A 4 -11.357 -8.564 2.655 1.00 0.00 N ATOM 37 CA MET A 4 -11.003 -7.750 3.815 1.00 0.00 C ATOM 38 C MET A 4 -10.132 -8.662 4.666 1.00 0.00 C ATOM 39 O MET A 4 -10.669 -9.517 5.370 1.00 0.00 O ATOM 40 CB MET A 4 -12.183 -7.195 4.642 1.00 0.00 C ATOM 41 CG MET A 4 -12.586 -5.767 4.248 1.00 0.00 C ATOM 42 SD MET A 4 -14.005 -5.128 5.173 1.00 0.00 S ATOM 43 CE MET A 4 -13.262 -4.774 6.788 1.00 0.00 C ATOM 0 H MET A 4 -10.645 -9.278 2.498 1.00 0.00 H new ATOM 0 HA MET A 4 -10.508 -6.841 3.472 1.00 0.00 H new ATOM 0 HB2 MET A 4 -13.043 -7.854 4.521 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.916 -7.211 5.699 1.00 0.00 H new ATOM 0 HG2 MET A 4 -11.735 -5.104 4.402 1.00 0.00 H new ATOM 0 HG3 MET A 4 -12.818 -5.746 3.183 1.00 0.00 H new ATOM 0 HE1 MET A 4 -14.023 -4.374 7.459 1.00 0.00 H new ATOM 0 HE2 MET A 4 -12.853 -5.692 7.209 1.00 0.00 H new ATOM 0 HE3 MET A 4 -12.463 -4.042 6.668 1.00 0.00 H new ATOM 53 N LYS A 5 -8.809 -8.575 4.530 1.00 0.00 N ATOM 54 CA LYS A 5 -7.772 -9.278 5.298 1.00 0.00 C ATOM 55 C LYS A 5 -6.507 -9.256 4.474 1.00 0.00 C ATOM 56 O LYS A 5 -6.539 -9.459 3.260 1.00 0.00 O ATOM 57 CB LYS A 5 -8.078 -10.749 5.665 1.00 0.00 C ATOM 58 CG LYS A 5 -8.540 -10.897 7.124 1.00 0.00 C ATOM 59 CD LYS A 5 -9.218 -12.246 7.399 1.00 0.00 C ATOM 60 CE LYS A 5 -9.476 -12.402 8.904 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.401 -13.143 9.597 1.00 0.00 N ATOM 0 H LYS A 5 -8.398 -7.963 3.825 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.697 -8.753 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.850 -11.135 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.187 -11.355 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.681 -10.786 7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.234 -10.091 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.158 -12.309 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.586 -13.060 7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.579 -11.415 9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.423 -12.921 9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.628 -13.218 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.318 -14.096 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.500 -12.637 9.481 1.00 0.00 H new ATOM 75 N THR A 6 -5.396 -9.074 5.167 1.00 0.00 N ATOM 76 CA THR A 6 -4.060 -9.096 4.614 1.00 0.00 C ATOM 77 C THR A 6 -3.723 -10.511 4.114 1.00 0.00 C ATOM 78 O THR A 6 -4.434 -11.470 4.432 1.00 0.00 O ATOM 79 CB THR A 6 -3.131 -8.551 5.714 1.00 0.00 C ATOM 80 OG1 THR A 6 -3.262 -9.273 6.928 1.00 0.00 O ATOM 81 CG2 THR A 6 -3.509 -7.099 6.046 1.00 0.00 C ATOM 0 H THR A 6 -5.405 -8.900 6.172 1.00 0.00 H new ATOM 0 HA THR A 6 -3.944 -8.466 3.732 1.00 0.00 H new ATOM 0 HB THR A 6 -2.115 -8.639 5.329 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.655 -8.897 7.599 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.848 -6.720 6.825 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.407 -6.483 5.152 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.540 -7.063 6.396 1.00 0.00 H new ATOM 89 N ILE A 7 -2.639 -10.651 3.346 1.00 0.00 N ATOM 90 CA ILE A 7 -2.208 -11.906 2.742 1.00 0.00 C ATOM 91 C ILE A 7 -0.706 -11.998 3.052 1.00 0.00 C ATOM 92 O ILE A 7 -0.349 -11.891 4.232 1.00 0.00 O ATOM 93 CB ILE A 7 -2.604 -11.975 1.241 1.00 0.00 C ATOM 94 CG1 ILE A 7 -4.031 -11.463 0.927 1.00 0.00 C ATOM 95 CG2 ILE A 7 -2.477 -13.429 0.741 1.00 0.00 C ATOM 96 CD1 ILE A 7 -4.257 -11.243 -0.573 1.00 0.00 C ATOM 0 H ILE A 7 -2.022 -9.870 3.123 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.705 -12.786 3.149 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.915 -11.307 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.762 -12.181 1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.203 -10.527 1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.755 -13.477 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.447 -13.766 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.139 -14.072 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.273 -10.884 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.546 -10.505 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.113 -12.184 -1.104 1.00 0.00 H new ATOM 108 N GLN A 8 0.181 -12.162 2.069 1.00 0.00 N ATOM 109 CA GLN A 8 1.630 -12.204 2.223 1.00 0.00 C ATOM 110 C GLN A 8 2.259 -11.925 0.859 1.00 0.00 C ATOM 111 O GLN A 8 1.848 -12.538 -0.122 1.00 0.00 O ATOM 112 CB GLN A 8 2.106 -13.551 2.788 1.00 0.00 C ATOM 113 CG GLN A 8 1.162 -14.768 2.781 1.00 0.00 C ATOM 114 CD GLN A 8 1.025 -15.626 1.517 1.00 0.00 C ATOM 115 OE1 GLN A 8 0.918 -16.843 1.645 1.00 0.00 O ATOM 116 NE2 GLN A 8 0.948 -15.099 0.310 1.00 0.00 N ATOM 0 H GLN A 8 -0.109 -12.274 1.098 1.00 0.00 H new ATOM 0 HA GLN A 8 1.940 -11.446 2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.003 -13.834 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.407 -13.380 3.822 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.479 -15.428 3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.166 -14.407 3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.035 -14.090 0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.801 -15.700 -0.501 1.00 0.00 H new ATOM 125 N PRO A 9 3.272 -11.056 0.794 1.00 0.00 N ATOM 126 CA PRO A 9 3.814 -10.512 -0.438 1.00 0.00 C ATOM 127 C PRO A 9 4.502 -11.640 -1.229 1.00 0.00 C ATOM 128 O PRO A 9 5.672 -11.959 -0.997 1.00 0.00 O ATOM 129 CB PRO A 9 4.761 -9.409 0.021 1.00 0.00 C ATOM 130 CG PRO A 9 5.249 -9.893 1.390 1.00 0.00 C ATOM 131 CD PRO A 9 4.065 -10.665 1.940 1.00 0.00 C ATOM 0 HA PRO A 9 3.070 -10.101 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.589 -9.277 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.251 -8.449 0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.132 -10.525 1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.519 -9.058 2.037 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.396 -11.539 2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.482 -10.049 2.625 1.00 0.00 H new ATOM 139 N ALA A 10 3.765 -12.274 -2.143 1.00 0.00 N ATOM 140 CA ALA A 10 4.248 -13.400 -2.939 1.00 0.00 C ATOM 141 C ALA A 10 4.424 -13.043 -4.409 1.00 0.00 C ATOM 142 O ALA A 10 4.969 -13.827 -5.180 1.00 0.00 O ATOM 143 CB ALA A 10 3.274 -14.573 -2.808 1.00 0.00 C ATOM 0 H ALA A 10 2.801 -12.014 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 10 5.230 -13.675 -2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.634 -15.413 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.203 -14.872 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.290 -14.271 -3.167 1.00 0.00 H new ATOM 149 N SER A 11 3.925 -11.885 -4.813 1.00 0.00 N ATOM 150 CA SER A 11 4.216 -11.212 -6.062 1.00 0.00 C ATOM 151 C SER A 11 3.637 -9.813 -5.918 1.00 0.00 C ATOM 152 O SER A 11 2.907 -9.540 -4.958 1.00 0.00 O ATOM 153 CB SER A 11 3.671 -11.995 -7.266 1.00 0.00 C ATOM 154 OG SER A 11 2.274 -12.221 -7.222 1.00 0.00 O ATOM 0 H SER A 11 3.265 -11.360 -4.239 1.00 0.00 H new ATOM 0 HA SER A 11 5.286 -11.150 -6.260 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.912 -11.451 -8.179 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.182 -12.956 -7.323 1.00 0.00 H new ATOM 0 HG SER A 11 1.998 -12.722 -8.018 1.00 0.00 H new ATOM 160 N VAL A 12 3.945 -8.919 -6.853 1.00 0.00 N ATOM 161 CA VAL A 12 3.403 -7.564 -6.869 1.00 0.00 C ATOM 162 C VAL A 12 1.862 -7.591 -6.827 1.00 0.00 C ATOM 163 O VAL A 12 1.261 -6.684 -6.262 1.00 0.00 O ATOM 164 CB VAL A 12 3.909 -6.886 -8.160 1.00 0.00 C ATOM 165 CG1 VAL A 12 3.145 -5.619 -8.567 1.00 0.00 C ATOM 166 CG2 VAL A 12 5.372 -6.472 -8.087 1.00 0.00 C ATOM 0 H VAL A 12 4.581 -9.115 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 12 3.733 -7.007 -5.992 1.00 0.00 H new ATOM 0 HB VAL A 12 3.748 -7.671 -8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.573 -5.215 -9.484 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.096 -5.864 -8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.223 -4.876 -7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.664 -6.002 -9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.510 -5.765 -7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.991 -7.352 -7.914 1.00 0.00 H new ATOM 176 N GLU A 13 1.211 -8.614 -7.392 1.00 0.00 N ATOM 177 CA GLU A 13 -0.233 -8.847 -7.337 1.00 0.00 C ATOM 178 C GLU A 13 -0.743 -8.840 -5.896 1.00 0.00 C ATOM 179 O GLU A 13 -1.810 -8.300 -5.606 1.00 0.00 O ATOM 180 CB GLU A 13 -0.515 -10.220 -7.971 1.00 0.00 C ATOM 181 CG GLU A 13 -0.967 -10.126 -9.425 1.00 0.00 C ATOM 182 CD GLU A 13 -2.432 -9.713 -9.518 1.00 0.00 C ATOM 183 OE1 GLU A 13 -3.313 -10.559 -9.232 1.00 0.00 O ATOM 184 OE2 GLU A 13 -2.705 -8.554 -9.908 1.00 0.00 O ATOM 0 H GLU A 13 1.701 -9.334 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.746 -8.051 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.386 -10.831 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.283 -10.731 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.348 -9.403 -9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.825 -11.089 -9.916 1.00 0.00 H new ATOM 191 N ASP A 14 0.024 -9.452 -4.998 1.00 0.00 N ATOM 192 CA ASP A 14 -0.339 -9.577 -3.600 1.00 0.00 C ATOM 193 C ASP A 14 -0.161 -8.234 -2.903 1.00 0.00 C ATOM 194 O ASP A 14 -1.090 -7.727 -2.277 1.00 0.00 O ATOM 195 CB ASP A 14 0.514 -10.661 -2.942 1.00 0.00 C ATOM 196 CG ASP A 14 -0.205 -11.151 -1.699 1.00 0.00 C ATOM 197 OD1 ASP A 14 -0.054 -10.517 -0.641 1.00 0.00 O ATOM 198 OD2 ASP A 14 -0.905 -12.180 -1.830 1.00 0.00 O ATOM 0 H ASP A 14 0.922 -9.877 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.386 -9.869 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.678 -11.486 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.495 -10.264 -2.681 1.00 0.00 H new ATOM 203 N ILE A 15 1.011 -7.610 -3.091 1.00 0.00 N ATOM 204 CA ILE A 15 1.317 -6.305 -2.511 1.00 0.00 C ATOM 205 C ILE A 15 0.259 -5.271 -2.968 1.00 0.00 C ATOM 206 O ILE A 15 -0.177 -4.460 -2.151 1.00 0.00 O ATOM 207 CB ILE A 15 2.778 -5.839 -2.783 1.00 0.00 C ATOM 208 CG1 ILE A 15 3.800 -6.978 -2.975 1.00 0.00 C ATOM 209 CG2 ILE A 15 3.288 -4.986 -1.606 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.245 -6.490 -3.149 1.00 0.00 C ATOM 0 H ILE A 15 1.770 -8.000 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 15 1.260 -6.397 -1.426 1.00 0.00 H new ATOM 0 HB ILE A 15 2.714 -5.283 -3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.753 -7.645 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.517 -7.565 -3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.310 -4.665 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.649 -4.111 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.266 -5.578 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.905 -7.347 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.309 -5.847 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.548 -5.929 -2.265 1.00 0.00 H new ATOM 222 N GLN A 16 -0.183 -5.304 -4.238 1.00 0.00 N ATOM 223 CA GLN A 16 -1.300 -4.513 -4.772 1.00 0.00 C ATOM 224 C GLN A 16 -2.541 -4.769 -3.941 1.00 0.00 C ATOM 225 O GLN A 16 -3.005 -3.825 -3.310 1.00 0.00 O ATOM 226 CB GLN A 16 -1.552 -4.791 -6.268 1.00 0.00 C ATOM 227 CG GLN A 16 -0.520 -4.083 -7.155 1.00 0.00 C ATOM 228 CD GLN A 16 -0.701 -4.349 -8.641 1.00 0.00 C ATOM 229 OE1 GLN A 16 -1.081 -3.472 -9.409 1.00 0.00 O ATOM 230 NE2 GLN A 16 -0.328 -5.537 -9.072 1.00 0.00 N ATOM 0 H GLN A 16 0.245 -5.904 -4.943 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.036 -3.458 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.514 -5.865 -6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.554 -4.457 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.579 -3.009 -6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.479 -4.401 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.017 -6.246 -8.408 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.351 -5.748 -10.070 1.00 0.00 H new ATOM 239 N SER A 17 -3.080 -5.989 -3.907 1.00 0.00 N ATOM 240 CA SER A 17 -4.328 -6.214 -3.187 1.00 0.00 C ATOM 241 C SER A 17 -4.236 -5.869 -1.703 1.00 0.00 C ATOM 242 O SER A 17 -5.229 -5.422 -1.136 1.00 0.00 O ATOM 243 CB SER A 17 -4.802 -7.653 -3.368 1.00 0.00 C ATOM 244 OG SER A 17 -4.956 -7.992 -4.737 1.00 0.00 O ATOM 0 H SER A 17 -2.683 -6.814 -4.357 1.00 0.00 H new ATOM 0 HA SER A 17 -5.060 -5.534 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.086 -8.332 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.752 -7.790 -2.851 1.00 0.00 H new ATOM 0 HG SER A 17 -4.073 -8.102 -5.148 1.00 0.00 H new ATOM 250 N TRP A 18 -3.057 -6.002 -1.103 1.00 0.00 N ATOM 251 CA TRP A 18 -2.829 -5.649 0.287 1.00 0.00 C ATOM 252 C TRP A 18 -2.975 -4.157 0.458 1.00 0.00 C ATOM 253 O TRP A 18 -3.733 -3.702 1.312 1.00 0.00 O ATOM 254 CB TRP A 18 -1.431 -6.066 0.727 1.00 0.00 C ATOM 255 CG TRP A 18 -1.149 -5.866 2.188 1.00 0.00 C ATOM 256 CD1 TRP A 18 -1.391 -6.754 3.173 1.00 0.00 C ATOM 257 CD2 TRP A 18 -0.566 -4.706 2.848 1.00 0.00 C ATOM 258 NE1 TRP A 18 -0.982 -6.229 4.387 1.00 0.00 N ATOM 259 CE2 TRP A 18 -0.484 -4.955 4.247 1.00 0.00 C ATOM 260 CE3 TRP A 18 -0.099 -3.460 2.397 1.00 0.00 C ATOM 261 CZ2 TRP A 18 0.020 -4.006 5.152 1.00 0.00 C ATOM 262 CZ3 TRP A 18 0.409 -2.501 3.290 1.00 0.00 C ATOM 263 CH2 TRP A 18 0.455 -2.763 4.665 1.00 0.00 C ATOM 0 H TRP A 18 -2.228 -6.362 -1.576 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.563 -6.171 0.901 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.287 -7.119 0.484 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.699 -5.502 0.149 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.837 -7.728 3.036 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.043 -6.726 5.276 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.131 -3.234 1.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.072 -4.229 6.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.767 -1.554 2.913 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.824 -2.012 5.348 1.00 0.00 H new ATOM 274 N LEU A 19 -2.236 -3.393 -0.351 1.00 0.00 N ATOM 275 CA LEU A 19 -2.290 -1.945 -0.329 1.00 0.00 C ATOM 276 C LEU A 19 -3.726 -1.510 -0.545 1.00 0.00 C ATOM 277 O LEU A 19 -4.222 -0.690 0.220 1.00 0.00 O ATOM 278 CB LEU A 19 -1.364 -1.332 -1.391 1.00 0.00 C ATOM 279 CG LEU A 19 0.123 -1.384 -1.005 1.00 0.00 C ATOM 280 CD1 LEU A 19 1.022 -1.398 -2.234 1.00 0.00 C ATOM 281 CD2 LEU A 19 0.510 -0.184 -0.139 1.00 0.00 C ATOM 0 H LEU A 19 -1.584 -3.771 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.939 -1.588 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.506 -1.859 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.652 -0.294 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 19 0.265 -2.307 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.065 -1.435 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.794 -2.274 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.851 -0.495 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.567 -0.247 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.326 0.738 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.087 -0.186 0.773 1.00 0.00 H new ATOM 293 N ILE A 20 -4.378 -2.094 -1.544 1.00 0.00 N ATOM 294 CA ILE A 20 -5.711 -1.729 -1.970 1.00 0.00 C ATOM 295 C ILE A 20 -6.709 -1.952 -0.830 1.00 0.00 C ATOM 296 O ILE A 20 -7.493 -1.071 -0.500 1.00 0.00 O ATOM 297 CB ILE A 20 -6.090 -2.557 -3.212 1.00 0.00 C ATOM 298 CG1 ILE A 20 -5.353 -2.072 -4.458 1.00 0.00 C ATOM 299 CG2 ILE A 20 -7.590 -2.545 -3.471 1.00 0.00 C ATOM 300 CD1 ILE A 20 -5.849 -0.736 -4.993 1.00 0.00 C ATOM 0 H ILE A 20 -3.977 -2.855 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.738 -0.671 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.785 -3.582 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.291 -1.988 -4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.451 -2.824 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.811 -3.141 -4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.111 -2.965 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -7.923 -1.520 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.274 -0.462 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.904 -0.818 -5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.725 0.031 -4.228 1.00 0.00 H new ATOM 312 N ASP A 21 -6.726 -3.140 -0.238 1.00 0.00 N ATOM 313 CA ASP A 21 -7.694 -3.485 0.796 1.00 0.00 C ATOM 314 C ASP A 21 -7.412 -2.673 2.046 1.00 0.00 C ATOM 315 O ASP A 21 -8.328 -2.118 2.639 1.00 0.00 O ATOM 316 CB ASP A 21 -7.518 -4.986 1.127 1.00 0.00 C ATOM 317 CG ASP A 21 -8.000 -5.440 2.513 1.00 0.00 C ATOM 318 OD1 ASP A 21 -9.088 -5.049 2.977 1.00 0.00 O ATOM 319 OD2 ASP A 21 -7.276 -6.237 3.166 1.00 0.00 O ATOM 0 H ASP A 21 -6.071 -3.890 -0.460 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.707 -3.277 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.049 -5.567 0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.461 -5.235 1.034 1.00 0.00 H new ATOM 324 N GLN A 22 -6.142 -2.526 2.425 1.00 0.00 N ATOM 325 CA GLN A 22 -5.755 -1.640 3.510 1.00 0.00 C ATOM 326 C GLN A 22 -6.119 -0.172 3.211 1.00 0.00 C ATOM 327 O GLN A 22 -6.183 0.620 4.156 1.00 0.00 O ATOM 328 CB GLN A 22 -4.243 -1.739 3.718 1.00 0.00 C ATOM 329 CG GLN A 22 -3.692 -3.018 4.374 1.00 0.00 C ATOM 330 CD GLN A 22 -3.540 -2.918 5.893 1.00 0.00 C ATOM 331 OE1 GLN A 22 -2.461 -2.707 6.440 1.00 0.00 O ATOM 332 NE2 GLN A 22 -4.612 -3.076 6.638 1.00 0.00 N ATOM 0 H GLN A 22 -5.361 -3.017 1.988 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.296 -1.949 4.405 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.763 -1.628 2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.932 -0.890 4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.355 -3.850 4.139 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.721 -3.250 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.516 -3.252 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.539 -3.023 7.654 1.00 0.00 H new ATOM 341 N PHE A 23 -6.396 0.203 1.964 1.00 0.00 N ATOM 342 CA PHE A 23 -6.875 1.526 1.599 1.00 0.00 C ATOM 343 C PHE A 23 -8.380 1.484 1.841 1.00 0.00 C ATOM 344 O PHE A 23 -8.890 2.305 2.593 1.00 0.00 O ATOM 345 CB PHE A 23 -6.579 1.843 0.132 1.00 0.00 C ATOM 346 CG PHE A 23 -5.566 2.950 -0.018 1.00 0.00 C ATOM 347 CD1 PHE A 23 -4.204 2.664 0.118 1.00 0.00 C ATOM 348 CD2 PHE A 23 -5.980 4.275 -0.249 1.00 0.00 C ATOM 349 CE1 PHE A 23 -3.251 3.686 0.031 1.00 0.00 C ATOM 350 CE2 PHE A 23 -5.033 5.309 -0.280 1.00 0.00 C ATOM 351 CZ PHE A 23 -3.668 5.020 -0.129 1.00 0.00 C ATOM 0 H PHE A 23 -6.290 -0.421 1.165 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.382 2.303 2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -6.210 0.946 -0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.503 2.128 -0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.885 1.647 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -7.026 4.495 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.198 3.451 0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.355 6.330 -0.420 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.941 5.818 -0.136 1.00 0.00 H new ATOM 361 N ALA A 24 -9.069 0.464 1.302 1.00 0.00 N ATOM 362 CA ALA A 24 -10.494 0.232 1.470 1.00 0.00 C ATOM 363 C ALA A 24 -10.892 0.346 2.942 1.00 0.00 C ATOM 364 O ALA A 24 -11.743 1.148 3.300 1.00 0.00 O ATOM 365 CB ALA A 24 -10.923 -1.118 0.914 1.00 0.00 C ATOM 0 H ALA A 24 -8.622 -0.242 0.717 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.012 1.004 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.995 -1.248 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.695 -1.162 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.386 -1.912 1.433 1.00 0.00 H new ATOM 371 N GLN A 25 -10.211 -0.410 3.805 1.00 0.00 N ATOM 372 CA GLN A 25 -10.461 -0.517 5.239 1.00 0.00 C ATOM 373 C GLN A 25 -9.996 0.719 6.015 1.00 0.00 C ATOM 374 O GLN A 25 -10.292 0.832 7.208 1.00 0.00 O ATOM 375 CB GLN A 25 -9.810 -1.773 5.845 1.00 0.00 C ATOM 376 CG GLN A 25 -8.327 -1.850 5.616 1.00 0.00 C ATOM 377 CD GLN A 25 -7.477 -1.489 6.831 1.00 0.00 C ATOM 378 OE1 GLN A 25 -7.527 -2.126 7.880 1.00 0.00 O ATOM 379 NE2 GLN A 25 -6.634 -0.480 6.704 1.00 0.00 N ATOM 0 H GLN A 25 -9.430 -0.993 3.504 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.544 -0.594 5.338 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.005 -1.792 6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.282 -2.658 5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.074 -2.862 5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.064 -1.184 4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.596 0.046 5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.021 -0.227 7.479 1.00 0.00 H new ATOM 388 N GLN A 26 -9.218 1.622 5.410 1.00 0.00 N ATOM 389 CA GLN A 26 -9.017 2.942 5.991 1.00 0.00 C ATOM 390 C GLN A 26 -10.209 3.835 5.642 1.00 0.00 C ATOM 391 O GLN A 26 -10.640 4.622 6.477 1.00 0.00 O ATOM 392 CB GLN A 26 -7.715 3.580 5.481 1.00 0.00 C ATOM 393 CG GLN A 26 -6.487 3.277 6.359 1.00 0.00 C ATOM 394 CD GLN A 26 -6.500 3.977 7.722 1.00 0.00 C ATOM 395 OE1 GLN A 26 -7.256 4.912 7.971 1.00 0.00 O ATOM 396 NE2 GLN A 26 -5.659 3.559 8.654 1.00 0.00 N ATOM 0 H GLN A 26 -8.726 1.462 4.531 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.938 2.838 7.073 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.521 3.227 4.468 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.850 4.660 5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.424 2.200 6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.587 3.573 5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.026 2.783 8.459 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.644 4.013 9.567 1.00 0.00 H new ATOM 405 N LEU A 27 -10.710 3.726 4.415 1.00 0.00 N ATOM 406 CA LEU A 27 -11.593 4.687 3.772 1.00 0.00 C ATOM 407 C LEU A 27 -13.069 4.315 3.891 1.00 0.00 C ATOM 408 O LEU A 27 -13.926 5.166 3.646 1.00 0.00 O ATOM 409 CB LEU A 27 -11.164 4.779 2.302 1.00 0.00 C ATOM 410 CG LEU A 27 -9.924 5.679 2.163 1.00 0.00 C ATOM 411 CD1 LEU A 27 -9.086 5.362 0.932 1.00 0.00 C ATOM 412 CD2 LEU A 27 -10.366 7.138 2.099 1.00 0.00 C ATOM 0 H LEU A 27 -10.500 2.927 3.816 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.501 5.651 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.944 3.783 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.981 5.179 1.702 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.298 5.492 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.227 6.032 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.739 4.330 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.691 5.496 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.490 7.779 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.020 7.283 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.904 7.396 3.011 1.00 0.00 H new ATOM 424 N ASP A 28 -13.370 3.095 4.337 1.00 0.00 N ATOM 425 CA ASP A 28 -14.678 2.496 4.576 1.00 0.00 C ATOM 426 C ASP A 28 -15.341 2.025 3.264 1.00 0.00 C ATOM 427 O ASP A 28 -16.559 1.838 3.212 1.00 0.00 O ATOM 428 CB ASP A 28 -15.520 3.468 5.415 1.00 0.00 C ATOM 429 CG ASP A 28 -16.619 2.869 6.299 1.00 0.00 C ATOM 430 OD1 ASP A 28 -16.755 1.630 6.377 1.00 0.00 O ATOM 431 OD2 ASP A 28 -17.261 3.663 7.042 1.00 0.00 O ATOM 0 H ASP A 28 -12.624 2.436 4.562 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.577 1.579 5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.843 4.033 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.986 4.182 4.736 1.00 0.00 H new ATOM 436 N VAL A 29 -14.555 1.797 2.203 1.00 0.00 N ATOM 437 CA VAL A 29 -15.014 1.550 0.826 1.00 0.00 C ATOM 438 C VAL A 29 -14.745 0.124 0.350 1.00 0.00 C ATOM 439 O VAL A 29 -14.376 -0.737 1.152 1.00 0.00 O ATOM 440 CB VAL A 29 -14.522 2.666 -0.125 1.00 0.00 C ATOM 441 CG1 VAL A 29 -15.076 4.032 0.305 1.00 0.00 C ATOM 442 CG2 VAL A 29 -12.994 2.739 -0.220 1.00 0.00 C ATOM 0 H VAL A 29 -13.538 1.779 2.283 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.102 1.610 0.814 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.900 2.410 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -14.717 4.802 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.165 4.006 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.739 4.259 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.710 3.541 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.577 2.937 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.607 1.791 -0.593 1.00 0.00 H new ATOM 452 N ASP A 30 -15.046 -0.188 -0.914 1.00 0.00 N ATOM 453 CA ASP A 30 -14.638 -1.430 -1.527 1.00 0.00 C ATOM 454 C ASP A 30 -13.173 -1.269 -1.913 1.00 0.00 C ATOM 455 O ASP A 30 -12.733 -0.166 -2.240 1.00 0.00 O ATOM 456 CB ASP A 30 -15.475 -1.712 -2.786 1.00 0.00 C ATOM 457 CG ASP A 30 -16.395 -2.929 -2.658 1.00 0.00 C ATOM 458 OD1 ASP A 30 -15.916 -4.030 -2.300 1.00 0.00 O ATOM 459 OD2 ASP A 30 -17.603 -2.804 -2.971 1.00 0.00 O ATOM 0 H ASP A 30 -15.581 0.423 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.781 -2.262 -0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.079 -0.834 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.803 -1.864 -3.631 1.00 0.00 H new ATOM 464 N PRO A 31 -12.415 -2.366 -1.974 1.00 0.00 N ATOM 465 CA PRO A 31 -11.057 -2.320 -2.476 1.00 0.00 C ATOM 466 C PRO A 31 -11.031 -1.877 -3.931 1.00 0.00 C ATOM 467 O PRO A 31 -10.175 -1.108 -4.351 1.00 0.00 O ATOM 468 CB PRO A 31 -10.545 -3.734 -2.326 1.00 0.00 C ATOM 469 CG PRO A 31 -11.729 -4.662 -2.052 1.00 0.00 C ATOM 470 CD PRO A 31 -12.918 -3.723 -1.890 1.00 0.00 C ATOM 0 HA PRO A 31 -10.440 -1.603 -1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.024 -4.045 -3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.825 -3.790 -1.509 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.884 -5.361 -2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.568 -5.257 -1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.660 -3.906 -2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.411 -3.891 -0.933 1.00 0.00 H new ATOM 478 N ASP A 32 -12.007 -2.339 -4.700 1.00 0.00 N ATOM 479 CA ASP A 32 -12.059 -2.078 -6.121 1.00 0.00 C ATOM 480 C ASP A 32 -12.391 -0.607 -6.404 1.00 0.00 C ATOM 481 O ASP A 32 -12.333 -0.185 -7.555 1.00 0.00 O ATOM 482 CB ASP A 32 -13.093 -3.022 -6.748 1.00 0.00 C ATOM 483 CG ASP A 32 -12.581 -3.777 -7.974 1.00 0.00 C ATOM 484 OD1 ASP A 32 -11.448 -4.310 -7.936 1.00 0.00 O ATOM 485 OD2 ASP A 32 -13.368 -4.009 -8.920 1.00 0.00 O ATOM 0 H ASP A 32 -12.781 -2.904 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.082 -2.264 -6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.413 -3.744 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.973 -2.444 -7.031 1.00 0.00 H new ATOM 490 N ASP A 33 -12.760 0.173 -5.380 1.00 0.00 N ATOM 491 CA ASP A 33 -13.020 1.617 -5.500 1.00 0.00 C ATOM 492 C ASP A 33 -11.737 2.452 -5.329 1.00 0.00 C ATOM 493 O ASP A 33 -11.764 3.678 -5.495 1.00 0.00 O ATOM 494 CB ASP A 33 -14.090 2.044 -4.478 1.00 0.00 C ATOM 495 CG ASP A 33 -14.777 3.379 -4.805 1.00 0.00 C ATOM 496 OD1 ASP A 33 -14.809 3.810 -5.977 1.00 0.00 O ATOM 497 OD2 ASP A 33 -15.421 3.966 -3.897 1.00 0.00 O ATOM 0 H ASP A 33 -12.888 -0.183 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.390 1.807 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.849 1.264 -4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.627 2.118 -3.494 1.00 0.00 H new ATOM 502 N ILE A 34 -10.608 1.816 -4.997 1.00 0.00 N ATOM 503 CA ILE A 34 -9.317 2.485 -4.843 1.00 0.00 C ATOM 504 C ILE A 34 -8.612 2.748 -6.185 1.00 0.00 C ATOM 505 O ILE A 34 -8.309 1.821 -6.946 1.00 0.00 O ATOM 506 CB ILE A 34 -8.446 1.703 -3.852 1.00 0.00 C ATOM 507 CG1 ILE A 34 -9.167 1.465 -2.501 1.00 0.00 C ATOM 508 CG2 ILE A 34 -7.120 2.454 -3.653 1.00 0.00 C ATOM 509 CD1 ILE A 34 -9.704 2.725 -1.802 1.00 0.00 C ATOM 0 H ILE A 34 -10.568 0.811 -4.826 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.495 3.478 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.247 0.715 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.000 0.782 -2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.475 0.963 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.493 1.906 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.603 2.540 -4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.322 3.450 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.189 2.444 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.878 3.405 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.426 3.221 -2.451 1.00 0.00 H new ATOM 521 N ASP A 35 -8.239 4.012 -6.441 1.00 0.00 N ATOM 522 CA ASP A 35 -7.410 4.416 -7.552 1.00 0.00 C ATOM 523 C ASP A 35 -5.950 4.123 -7.232 1.00 0.00 C ATOM 524 O ASP A 35 -5.216 4.985 -6.738 1.00 0.00 O ATOM 525 CB ASP A 35 -7.514 5.918 -7.862 1.00 0.00 C ATOM 526 CG ASP A 35 -8.803 6.438 -8.476 1.00 0.00 C ATOM 527 OD1 ASP A 35 -8.981 6.261 -9.702 1.00 0.00 O ATOM 528 OD2 ASP A 35 -9.563 7.162 -7.790 1.00 0.00 O ATOM 0 H ASP A 35 -8.523 4.795 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.762 3.854 -8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.345 6.462 -6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.697 6.176 -8.536 1.00 0.00 H new ATOM 533 N MET A 36 -5.475 2.946 -7.606 1.00 0.00 N ATOM 534 CA MET A 36 -4.054 2.592 -7.601 1.00 0.00 C ATOM 535 C MET A 36 -3.155 3.461 -8.468 1.00 0.00 C ATOM 536 O MET A 36 -1.940 3.258 -8.430 1.00 0.00 O ATOM 537 CB MET A 36 -3.897 1.126 -8.052 1.00 0.00 C ATOM 538 CG MET A 36 -4.631 0.778 -9.348 1.00 0.00 C ATOM 539 SD MET A 36 -3.657 0.023 -10.678 1.00 0.00 S ATOM 540 CE MET A 36 -3.694 -1.706 -10.143 1.00 0.00 C ATOM 0 H MET A 36 -6.076 2.188 -7.930 1.00 0.00 H new ATOM 0 HA MET A 36 -3.725 2.756 -6.575 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.836 0.911 -8.181 1.00 0.00 H new ATOM 0 HB3 MET A 36 -4.260 0.474 -7.258 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.448 0.100 -9.101 1.00 0.00 H new ATOM 0 HG3 MET A 36 -5.081 1.691 -9.736 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.138 -2.318 -10.853 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.240 -1.791 -9.156 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.727 -2.051 -10.098 1.00 0.00 H new ATOM 550 N GLU A 37 -3.704 4.406 -9.220 1.00 0.00 N ATOM 551 CA GLU A 37 -2.966 5.258 -10.135 1.00 0.00 C ATOM 552 C GLU A 37 -3.041 6.728 -9.708 1.00 0.00 C ATOM 553 O GLU A 37 -2.233 7.529 -10.186 1.00 0.00 O ATOM 554 CB GLU A 37 -3.562 5.037 -11.528 1.00 0.00 C ATOM 555 CG GLU A 37 -3.225 3.653 -12.101 1.00 0.00 C ATOM 556 CD GLU A 37 -2.018 3.701 -13.047 1.00 0.00 C ATOM 557 OE1 GLU A 37 -2.228 3.933 -14.261 1.00 0.00 O ATOM 558 OE2 GLU A 37 -0.854 3.473 -12.644 1.00 0.00 O ATOM 0 H GLU A 37 -4.704 4.604 -9.208 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.906 5.003 -10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.645 5.152 -11.478 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.190 5.807 -12.205 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.018 2.963 -11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.090 3.262 -12.637 1.00 0.00 H new ATOM 565 N GLU A 38 -3.960 7.082 -8.802 1.00 0.00 N ATOM 566 CA GLU A 38 -4.074 8.413 -8.226 1.00 0.00 C ATOM 567 C GLU A 38 -3.132 8.539 -7.051 1.00 0.00 C ATOM 568 O GLU A 38 -2.871 7.557 -6.351 1.00 0.00 O ATOM 569 CB GLU A 38 -5.519 8.702 -7.833 1.00 0.00 C ATOM 570 CG GLU A 38 -5.788 10.110 -7.290 1.00 0.00 C ATOM 571 CD GLU A 38 -5.215 11.221 -8.174 1.00 0.00 C ATOM 572 OE1 GLU A 38 -5.739 11.420 -9.296 1.00 0.00 O ATOM 573 OE2 GLU A 38 -4.232 11.864 -7.749 1.00 0.00 O ATOM 0 H GLU A 38 -4.659 6.430 -8.445 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.789 9.158 -8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.153 8.541 -8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.824 7.977 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.864 10.254 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.361 10.194 -6.291 1.00 0.00 H new ATOM 580 N SER A 39 -2.620 9.746 -6.841 1.00 0.00 N ATOM 581 CA SER A 39 -1.671 9.965 -5.790 1.00 0.00 C ATOM 582 C SER A 39 -2.370 9.837 -4.442 1.00 0.00 C ATOM 583 O SER A 39 -3.456 10.384 -4.213 1.00 0.00 O ATOM 584 CB SER A 39 -0.972 11.307 -5.964 1.00 0.00 C ATOM 585 OG SER A 39 -0.169 11.645 -4.844 1.00 0.00 O ATOM 0 H SER A 39 -2.853 10.575 -7.388 1.00 0.00 H new ATOM 0 HA SER A 39 -0.890 9.205 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.350 11.277 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.719 12.085 -6.121 1.00 0.00 H new ATOM 0 HG SER A 39 0.261 12.512 -5.000 1.00 0.00 H new ATOM 591 N PHE A 40 -1.697 9.158 -3.520 1.00 0.00 N ATOM 592 CA PHE A 40 -2.165 8.971 -2.164 1.00 0.00 C ATOM 593 C PHE A 40 -2.370 10.294 -1.434 1.00 0.00 C ATOM 594 O PHE A 40 -3.153 10.323 -0.486 1.00 0.00 O ATOM 595 CB PHE A 40 -1.151 8.149 -1.365 1.00 0.00 C ATOM 596 CG PHE A 40 -0.858 6.726 -1.804 1.00 0.00 C ATOM 597 CD1 PHE A 40 -1.697 6.046 -2.702 1.00 0.00 C ATOM 598 CD2 PHE A 40 0.238 6.041 -1.247 1.00 0.00 C ATOM 599 CE1 PHE A 40 -1.449 4.707 -3.025 1.00 0.00 C ATOM 600 CE2 PHE A 40 0.481 4.696 -1.579 1.00 0.00 C ATOM 601 CZ PHE A 40 -0.364 4.020 -2.465 1.00 0.00 C ATOM 0 H PHE A 40 -0.796 8.717 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.122 8.454 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.208 8.696 -1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.497 8.112 -0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.538 6.559 -3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.897 6.551 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.103 4.196 -3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.326 4.181 -1.147 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.183 2.985 -2.714 1.00 0.00 H new ATOM 611 N ASP A 41 -1.691 11.376 -1.838 1.00 0.00 N ATOM 612 CA ASP A 41 -1.804 12.653 -1.135 1.00 0.00 C ATOM 613 C ASP A 41 -3.195 13.239 -1.323 1.00 0.00 C ATOM 614 O ASP A 41 -3.572 14.160 -0.595 1.00 0.00 O ATOM 615 CB ASP A 41 -0.750 13.665 -1.615 1.00 0.00 C ATOM 616 CG ASP A 41 0.509 13.712 -0.752 1.00 0.00 C ATOM 617 OD1 ASP A 41 0.568 13.127 0.353 1.00 0.00 O ATOM 618 OD2 ASP A 41 1.502 14.323 -1.209 1.00 0.00 O ATOM 0 H ASP A 41 -1.063 11.389 -2.642 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.629 12.457 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.467 13.420 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.199 14.658 -1.637 1.00 0.00 H new ATOM 623 N ASN A 42 -3.966 12.731 -2.288 1.00 0.00 N ATOM 624 CA ASN A 42 -5.332 13.169 -2.537 1.00 0.00 C ATOM 625 C ASN A 42 -6.342 12.307 -1.785 1.00 0.00 C ATOM 626 O ASN A 42 -7.431 12.801 -1.472 1.00 0.00 O ATOM 627 CB ASN A 42 -5.578 13.219 -4.052 1.00 0.00 C ATOM 628 CG ASN A 42 -4.590 14.184 -4.693 1.00 0.00 C ATOM 629 OD1 ASN A 42 -4.376 15.281 -4.177 1.00 0.00 O ATOM 630 ND2 ASN A 42 -3.908 13.809 -5.758 1.00 0.00 N ATOM 0 H ASN A 42 -3.651 11.997 -2.922 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.473 14.177 -2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.464 12.224 -4.483 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.600 13.539 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.202 14.428 -6.155 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.087 12.900 -6.184 1.00 0.00 H new ATOM 637 N TYR A 43 -5.992 11.063 -1.426 1.00 0.00 N ATOM 638 CA TYR A 43 -6.763 10.231 -0.541 1.00 0.00 C ATOM 639 C TYR A 43 -6.491 10.649 0.905 1.00 0.00 C ATOM 640 O TYR A 43 -5.731 11.576 1.199 1.00 0.00 O ATOM 641 CB TYR A 43 -6.369 8.772 -0.819 1.00 0.00 C ATOM 642 CG TYR A 43 -7.095 8.155 -1.998 1.00 0.00 C ATOM 643 CD1 TYR A 43 -6.711 8.418 -3.325 1.00 0.00 C ATOM 644 CD2 TYR A 43 -8.180 7.304 -1.754 1.00 0.00 C ATOM 645 CE1 TYR A 43 -7.452 7.875 -4.391 1.00 0.00 C ATOM 646 CE2 TYR A 43 -8.874 6.691 -2.806 1.00 0.00 C ATOM 647 CZ TYR A 43 -8.537 7.006 -4.137 1.00 0.00 C ATOM 648 OH TYR A 43 -9.261 6.453 -5.145 1.00 0.00 O ATOM 0 H TYR A 43 -5.140 10.613 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 43 -7.835 10.339 -0.706 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.295 8.724 -1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -6.569 8.176 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.848 9.036 -3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.488 7.117 -0.736 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.190 8.124 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.662 5.982 -2.598 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.186 7.012 -5.946 1.00 0.00 H new ATOM 658 N ASP A 44 -7.112 9.929 1.829 1.00 0.00 N ATOM 659 CA ASP A 44 -7.081 10.127 3.271 1.00 0.00 C ATOM 660 C ASP A 44 -5.675 10.019 3.893 1.00 0.00 C ATOM 661 O ASP A 44 -5.530 10.261 5.090 1.00 0.00 O ATOM 662 CB ASP A 44 -8.066 9.106 3.856 1.00 0.00 C ATOM 663 CG ASP A 44 -8.139 9.100 5.383 1.00 0.00 C ATOM 664 OD1 ASP A 44 -8.361 10.143 6.040 1.00 0.00 O ATOM 665 OD2 ASP A 44 -7.929 8.007 5.952 1.00 0.00 O ATOM 0 H ASP A 44 -7.694 9.132 1.571 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.373 11.149 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.060 9.310 3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.784 8.110 3.514 1.00 0.00 H new ATOM 670 N LEU A 45 -4.609 9.730 3.127 1.00 0.00 N ATOM 671 CA LEU A 45 -3.226 9.566 3.612 1.00 0.00 C ATOM 672 C LEU A 45 -2.555 10.903 4.009 1.00 0.00 C ATOM 673 O LEU A 45 -1.332 11.043 3.890 1.00 0.00 O ATOM 674 CB LEU A 45 -2.332 8.859 2.575 1.00 0.00 C ATOM 675 CG LEU A 45 -2.675 7.418 2.169 1.00 0.00 C ATOM 676 CD1 LEU A 45 -1.352 6.664 1.970 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.505 6.628 3.180 1.00 0.00 C ATOM 0 H LEU A 45 -4.688 9.600 2.118 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.317 8.948 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.331 9.466 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.313 8.860 2.961 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.286 7.497 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.560 5.634 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.770 7.151 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.785 6.671 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.690 5.625 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.962 6.560 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.456 7.135 3.345 1.00 0.00 H new ATOM 689 N ASN A 46 -3.329 11.870 4.508 1.00 0.00 N ATOM 690 CA ASN A 46 -3.047 13.300 4.646 1.00 0.00 C ATOM 691 C ASN A 46 -1.565 13.663 4.726 1.00 0.00 C ATOM 692 O ASN A 46 -1.075 14.347 3.832 1.00 0.00 O ATOM 693 CB ASN A 46 -3.807 13.864 5.850 1.00 0.00 C ATOM 694 CG ASN A 46 -3.586 15.370 5.910 1.00 0.00 C ATOM 695 OD1 ASN A 46 -4.011 16.097 5.024 1.00 0.00 O ATOM 696 ND2 ASN A 46 -2.893 15.872 6.912 1.00 0.00 N ATOM 0 H ASN A 46 -4.260 11.648 4.860 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.396 13.761 3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.871 13.642 5.762 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.458 13.395 6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.708 16.874 6.952 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.542 15.258 7.647 1.00 0.00 H new ATOM 703 N SER A 47 -0.852 13.219 5.768 1.00 0.00 N ATOM 704 CA SER A 47 0.606 13.141 5.743 1.00 0.00 C ATOM 705 C SER A 47 1.087 12.057 6.702 1.00 0.00 C ATOM 706 O SER A 47 1.709 11.081 6.280 1.00 0.00 O ATOM 707 CB SER A 47 1.227 14.508 6.046 1.00 0.00 C ATOM 708 OG SER A 47 2.625 14.512 5.843 1.00 0.00 O ATOM 0 H SER A 47 -1.270 12.907 6.645 1.00 0.00 H new ATOM 0 HA SER A 47 0.935 12.862 4.742 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.766 15.264 5.410 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.010 14.784 7.078 1.00 0.00 H new ATOM 0 HG SER A 47 2.982 15.402 6.045 1.00 0.00 H new ATOM 714 N SER A 48 0.798 12.190 8.000 1.00 0.00 N ATOM 715 CA SER A 48 1.305 11.243 8.992 1.00 0.00 C ATOM 716 C SER A 48 0.697 9.853 8.850 1.00 0.00 C ATOM 717 O SER A 48 1.312 8.871 9.258 1.00 0.00 O ATOM 718 CB SER A 48 1.099 11.760 10.410 1.00 0.00 C ATOM 719 OG SER A 48 -0.084 12.525 10.500 1.00 0.00 O ATOM 0 H SER A 48 0.221 12.938 8.384 1.00 0.00 H new ATOM 0 HA SER A 48 2.374 11.152 8.799 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.048 10.921 11.104 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.953 12.368 10.708 1.00 0.00 H new ATOM 0 HG SER A 48 -0.197 12.845 11.419 1.00 0.00 H new ATOM 725 N LYS A 49 -0.469 9.750 8.205 1.00 0.00 N ATOM 726 CA LYS A 49 -1.069 8.482 7.806 1.00 0.00 C ATOM 727 C LYS A 49 -0.060 7.533 7.209 1.00 0.00 C ATOM 728 O LYS A 49 -0.138 6.334 7.487 1.00 0.00 O ATOM 729 CB LYS A 49 -2.132 8.727 6.746 1.00 0.00 C ATOM 730 CG LYS A 49 -3.514 8.703 7.364 1.00 0.00 C ATOM 731 CD LYS A 49 -3.996 7.284 7.682 1.00 0.00 C ATOM 732 CE LYS A 49 -5.261 7.319 8.536 1.00 0.00 C ATOM 733 NZ LYS A 49 -6.296 8.253 8.044 1.00 0.00 N ATOM 0 H LYS A 49 -1.029 10.562 7.943 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.490 8.040 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.959 9.690 6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.061 7.966 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.508 9.294 8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.220 9.178 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.193 6.746 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.212 6.738 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.684 6.315 8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.991 7.597 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.141 8.183 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.929 9.226 8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.547 8.009 7.065 1.00 0.00 H new ATOM 747 N ALA A 50 0.842 8.066 6.379 1.00 0.00 N ATOM 748 CA ALA A 50 1.797 7.253 5.674 1.00 0.00 C ATOM 749 C ALA A 50 2.512 6.338 6.685 1.00 0.00 C ATOM 750 O ALA A 50 2.627 5.147 6.441 1.00 0.00 O ATOM 751 CB ALA A 50 2.773 8.149 4.888 1.00 0.00 C ATOM 0 H ALA A 50 0.918 9.065 6.188 1.00 0.00 H new ATOM 0 HA ALA A 50 1.298 6.618 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.492 7.525 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.216 8.752 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.302 8.805 5.579 1.00 0.00 H new ATOM 757 N LEU A 51 2.918 6.848 7.855 1.00 0.00 N ATOM 758 CA LEU A 51 3.709 6.136 8.849 1.00 0.00 C ATOM 759 C LEU A 51 2.943 4.986 9.502 1.00 0.00 C ATOM 760 O LEU A 51 3.563 3.959 9.766 1.00 0.00 O ATOM 761 CB LEU A 51 4.143 7.108 9.956 1.00 0.00 C ATOM 762 CG LEU A 51 5.179 8.187 9.616 1.00 0.00 C ATOM 763 CD1 LEU A 51 6.533 7.578 9.272 1.00 0.00 C ATOM 764 CD2 LEU A 51 4.748 9.166 8.526 1.00 0.00 C ATOM 0 H LEU A 51 2.693 7.802 8.139 1.00 0.00 H new ATOM 0 HA LEU A 51 4.568 5.719 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.249 7.611 10.325 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.539 6.516 10.781 1.00 0.00 H new ATOM 0 HG LEU A 51 5.267 8.775 10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.240 8.373 9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.901 7.005 10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.427 6.920 8.410 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.543 9.892 8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.549 8.620 7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.844 9.687 8.841 1.00 0.00 H new ATOM 776 N ILE A 52 1.636 5.120 9.778 1.00 0.00 N ATOM 777 CA ILE A 52 0.824 4.019 10.307 1.00 0.00 C ATOM 778 C ILE A 52 0.971 2.835 9.365 1.00 0.00 C ATOM 779 O ILE A 52 1.357 1.733 9.761 1.00 0.00 O ATOM 780 CB ILE A 52 -0.666 4.437 10.439 1.00 0.00 C ATOM 781 CG1 ILE A 52 -0.840 5.440 11.604 1.00 0.00 C ATOM 782 CG2 ILE A 52 -1.616 3.227 10.658 1.00 0.00 C ATOM 783 CD1 ILE A 52 -0.990 6.887 11.137 1.00 0.00 C ATOM 0 H ILE A 52 1.118 5.988 9.641 1.00 0.00 H new ATOM 0 HA ILE A 52 1.169 3.750 11.306 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.941 4.904 9.493 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.718 5.161 12.187 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.021 5.367 12.269 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.643 3.582 10.743 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.537 2.544 9.812 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.336 2.705 11.573 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.108 7.538 12.003 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.102 7.183 10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.867 6.973 10.496 1.00 0.00 H new ATOM 795 N LEU A 53 0.589 3.065 8.113 1.00 0.00 N ATOM 796 CA LEU A 53 0.444 2.011 7.136 1.00 0.00 C ATOM 797 C LEU A 53 1.790 1.556 6.588 1.00 0.00 C ATOM 798 O LEU A 53 1.911 0.406 6.188 1.00 0.00 O ATOM 799 CB LEU A 53 -0.478 2.538 6.044 1.00 0.00 C ATOM 800 CG LEU A 53 -1.067 1.488 5.097 1.00 0.00 C ATOM 801 CD1 LEU A 53 -1.664 0.307 5.862 1.00 0.00 C ATOM 802 CD2 LEU A 53 -2.169 2.162 4.273 1.00 0.00 C ATOM 0 H LEU A 53 0.372 3.995 7.754 1.00 0.00 H new ATOM 0 HA LEU A 53 0.010 1.122 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.301 3.073 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.075 3.265 5.449 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.272 1.101 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.071 -0.416 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.887 -0.169 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.460 0.662 6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.607 1.436 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.942 2.543 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.743 2.988 3.703 1.00 0.00 H new ATOM 814 N LEU A 54 2.817 2.404 6.614 1.00 0.00 N ATOM 815 CA LEU A 54 4.212 2.009 6.453 1.00 0.00 C ATOM 816 C LEU A 54 4.549 1.013 7.553 1.00 0.00 C ATOM 817 O LEU A 54 4.872 -0.119 7.227 1.00 0.00 O ATOM 818 CB LEU A 54 5.162 3.220 6.540 1.00 0.00 C ATOM 819 CG LEU A 54 5.323 4.061 5.257 1.00 0.00 C ATOM 820 CD1 LEU A 54 6.145 5.318 5.574 1.00 0.00 C ATOM 821 CD2 LEU A 54 6.011 3.289 4.129 1.00 0.00 C ATOM 0 H LEU A 54 2.697 3.408 6.751 1.00 0.00 H new ATOM 0 HA LEU A 54 4.343 1.564 5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.807 3.875 7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.147 2.861 6.838 1.00 0.00 H new ATOM 0 HG LEU A 54 4.322 4.323 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.261 5.915 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.631 5.907 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.128 5.026 5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.098 3.929 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.005 2.980 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.421 2.407 3.879 1.00 0.00 H new ATOM 833 N GLY A 55 4.396 1.368 8.831 1.00 0.00 N ATOM 834 CA GLY A 55 4.679 0.484 9.962 1.00 0.00 C ATOM 835 C GLY A 55 3.820 -0.777 10.007 1.00 0.00 C ATOM 836 O GLY A 55 4.099 -1.673 10.810 1.00 0.00 O ATOM 0 H GLY A 55 4.067 2.292 9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.729 0.193 9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.534 1.041 10.888 1.00 0.00 H new ATOM 840 N ARG A 56 2.788 -0.871 9.163 1.00 0.00 N ATOM 841 CA ARG A 56 2.143 -2.122 8.809 1.00 0.00 C ATOM 842 C ARG A 56 2.933 -2.796 7.698 1.00 0.00 C ATOM 843 O ARG A 56 3.398 -3.909 7.887 1.00 0.00 O ATOM 844 CB ARG A 56 0.681 -1.896 8.424 1.00 0.00 C ATOM 845 CG ARG A 56 -0.090 -1.523 9.685 1.00 0.00 C ATOM 846 CD ARG A 56 -1.499 -1.049 9.397 1.00 0.00 C ATOM 847 NE ARG A 56 -2.085 -0.494 10.621 1.00 0.00 N ATOM 848 CZ ARG A 56 -3.264 -0.786 11.168 1.00 0.00 C ATOM 849 NH1 ARG A 56 -4.089 -1.675 10.624 1.00 0.00 N ATOM 850 NH2 ARG A 56 -3.600 -0.168 12.286 1.00 0.00 N ATOM 0 H ARG A 56 2.376 -0.060 8.702 1.00 0.00 H new ATOM 0 HA ARG A 56 2.134 -2.785 9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.602 -1.102 7.681 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.262 -2.797 7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.131 -2.387 10.348 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.450 -0.739 10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.487 -0.294 8.611 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.106 -1.878 9.033 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.522 0.200 11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.826 -2.155 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.985 -1.877 11.067 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.964 0.510 12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.496 -0.369 12.730 1.00 0.00 H new ATOM 864 N LEU A 57 3.081 -2.133 6.554 1.00 0.00 N ATOM 865 CA LEU A 57 3.705 -2.622 5.329 1.00 0.00 C ATOM 866 C LEU A 57 5.086 -3.238 5.554 1.00 0.00 C ATOM 867 O LEU A 57 5.314 -4.380 5.167 1.00 0.00 O ATOM 868 CB LEU A 57 3.753 -1.452 4.332 1.00 0.00 C ATOM 869 CG LEU A 57 4.114 -1.801 2.877 1.00 0.00 C ATOM 870 CD1 LEU A 57 3.686 -3.176 2.365 1.00 0.00 C ATOM 871 CD2 LEU A 57 3.584 -0.675 1.982 1.00 0.00 C ATOM 0 H LEU A 57 2.745 -1.175 6.452 1.00 0.00 H new ATOM 0 HA LEU A 57 3.106 -3.440 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.779 -0.963 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.476 -0.723 4.697 1.00 0.00 H new ATOM 0 HG LEU A 57 5.201 -1.879 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.002 -3.293 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.149 -3.952 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.601 -3.266 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.825 -0.893 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.503 -0.598 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.047 0.268 2.271 1.00 0.00 H new ATOM 883 N GLU A 58 6.023 -2.510 6.163 1.00 0.00 N ATOM 884 CA GLU A 58 7.379 -3.020 6.391 1.00 0.00 C ATOM 885 C GLU A 58 7.348 -4.289 7.225 1.00 0.00 C ATOM 886 O GLU A 58 7.960 -5.295 6.887 1.00 0.00 O ATOM 887 CB GLU A 58 8.338 -1.989 7.002 1.00 0.00 C ATOM 888 CG GLU A 58 7.683 -0.929 7.859 1.00 0.00 C ATOM 889 CD GLU A 58 8.627 -0.160 8.778 1.00 0.00 C ATOM 890 OE1 GLU A 58 9.005 -0.700 9.845 1.00 0.00 O ATOM 891 OE2 GLU A 58 8.912 1.021 8.496 1.00 0.00 O ATOM 0 H GLU A 58 5.869 -1.563 6.509 1.00 0.00 H new ATOM 0 HA GLU A 58 7.779 -3.250 5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.076 -2.517 7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.880 -1.497 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.178 -0.217 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.914 -1.402 8.469 1.00 0.00 H new ATOM 898 N LYS A 59 6.584 -4.246 8.305 1.00 0.00 N ATOM 899 CA LYS A 59 6.338 -5.376 9.193 1.00 0.00 C ATOM 900 C LYS A 59 5.652 -6.555 8.512 1.00 0.00 C ATOM 901 O LYS A 59 6.010 -7.697 8.797 1.00 0.00 O ATOM 902 CB LYS A 59 5.531 -4.890 10.371 1.00 0.00 C ATOM 903 CG LYS A 59 6.510 -4.544 11.503 1.00 0.00 C ATOM 904 CD LYS A 59 7.415 -3.311 11.313 1.00 0.00 C ATOM 905 CE LYS A 59 8.789 -3.669 10.724 1.00 0.00 C ATOM 906 NZ LYS A 59 9.734 -4.223 11.715 1.00 0.00 N ATOM 0 H LYS A 59 6.101 -3.397 8.599 1.00 0.00 H new ATOM 0 HA LYS A 59 7.305 -5.760 9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.942 -4.015 10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.829 -5.658 10.695 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.931 -4.398 12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.152 -5.409 11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.917 -2.598 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.554 -2.816 12.274 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.653 -4.393 9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.227 -2.776 10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.638 -4.441 11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.893 -3.526 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.337 -5.093 12.125 1.00 0.00 H new ATOM 920 N TRP A 60 4.694 -6.303 7.624 1.00 0.00 N ATOM 921 CA TRP A 60 4.037 -7.314 6.813 1.00 0.00 C ATOM 922 C TRP A 60 5.077 -8.021 5.954 1.00 0.00 C ATOM 923 O TRP A 60 5.039 -9.246 5.824 1.00 0.00 O ATOM 924 CB TRP A 60 2.947 -6.672 5.946 1.00 0.00 C ATOM 925 CG TRP A 60 2.182 -7.618 5.073 1.00 0.00 C ATOM 926 CD1 TRP A 60 1.570 -8.763 5.454 1.00 0.00 C ATOM 927 CD2 TRP A 60 1.969 -7.520 3.636 1.00 0.00 C ATOM 928 NE1 TRP A 60 1.022 -9.386 4.353 1.00 0.00 N ATOM 929 CE2 TRP A 60 1.238 -8.660 3.202 1.00 0.00 C ATOM 930 CE3 TRP A 60 2.275 -6.552 2.660 1.00 0.00 C ATOM 931 CZ2 TRP A 60 0.886 -8.837 1.858 1.00 0.00 C ATOM 932 CZ3 TRP A 60 1.872 -6.702 1.328 1.00 0.00 C ATOM 933 CH2 TRP A 60 1.228 -7.873 0.911 1.00 0.00 C ATOM 0 H TRP A 60 4.346 -5.361 7.447 1.00 0.00 H new ATOM 0 HA TRP A 60 3.557 -8.049 7.459 1.00 0.00 H new ATOM 0 HB2 TRP A 60 2.243 -6.157 6.599 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.409 -5.913 5.314 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.519 -9.133 6.467 1.00 0.00 H new ATOM 0 HE1 TRP A 60 0.520 -10.273 4.386 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.834 -5.673 2.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 0.348 -9.723 1.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.059 -5.910 0.618 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.999 -8.028 -0.133 1.00 0.00 H new ATOM 944 N LEU A 61 6.019 -7.249 5.407 1.00 0.00 N ATOM 945 CA LEU A 61 7.085 -7.751 4.543 1.00 0.00 C ATOM 946 C LEU A 61 8.236 -8.364 5.359 1.00 0.00 C ATOM 947 O LEU A 61 9.030 -9.115 4.799 1.00 0.00 O ATOM 948 CB LEU A 61 7.638 -6.610 3.657 1.00 0.00 C ATOM 949 CG LEU A 61 6.819 -6.399 2.368 1.00 0.00 C ATOM 950 CD1 LEU A 61 6.898 -4.953 1.873 1.00 0.00 C ATOM 951 CD2 LEU A 61 7.326 -7.291 1.228 1.00 0.00 C ATOM 0 H LEU A 61 6.061 -6.241 5.556 1.00 0.00 H new ATOM 0 HA LEU A 61 6.655 -8.532 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.647 -5.683 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.672 -6.831 3.392 1.00 0.00 H new ATOM 0 HG LEU A 61 5.791 -6.654 2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.307 -4.847 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.507 -4.284 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.936 -4.696 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.726 -7.116 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.369 -7.054 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.244 -8.338 1.521 1.00 0.00 H new ATOM 963 N GLY A 62 8.347 -8.039 6.653 1.00 0.00 N ATOM 964 CA GLY A 62 9.350 -8.552 7.582 1.00 0.00 C ATOM 965 C GLY A 62 10.584 -7.658 7.768 1.00 0.00 C ATOM 966 O GLY A 62 11.565 -8.117 8.358 1.00 0.00 O ATOM 0 H GLY A 62 7.708 -7.380 7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.880 -8.702 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.679 -9.531 7.233 1.00 0.00 H new ATOM 970 N LYS A 63 10.577 -6.417 7.267 1.00 0.00 N ATOM 971 CA LYS A 63 11.773 -5.574 7.121 1.00 0.00 C ATOM 972 C LYS A 63 11.514 -4.168 7.674 1.00 0.00 C ATOM 973 O LYS A 63 10.699 -3.993 8.580 1.00 0.00 O ATOM 974 CB LYS A 63 12.217 -5.495 5.648 1.00 0.00 C ATOM 975 CG LYS A 63 12.249 -6.786 4.821 1.00 0.00 C ATOM 976 CD LYS A 63 13.338 -7.754 5.293 1.00 0.00 C ATOM 977 CE LYS A 63 13.672 -8.649 4.104 1.00 0.00 C ATOM 978 NZ LYS A 63 14.619 -9.726 4.427 1.00 0.00 N ATOM 0 H LYS A 63 9.724 -5.960 6.945 1.00 0.00 H new ATOM 0 HA LYS A 63 12.578 -6.032 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.556 -4.793 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.218 -5.063 5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.278 -7.278 4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.416 -6.539 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.221 -7.210 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.989 -8.347 6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.751 -9.089 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.090 -8.037 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.801 -10.295 3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.512 -9.313 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.215 -10.333 5.169 1.00 0.00 H new ATOM 992 N GLU A 64 12.223 -3.164 7.159 1.00 0.00 N ATOM 993 CA GLU A 64 12.014 -1.727 7.311 1.00 0.00 C ATOM 994 C GLU A 64 11.433 -1.154 6.010 1.00 0.00 C ATOM 995 O GLU A 64 11.236 -1.902 5.047 1.00 0.00 O ATOM 996 CB GLU A 64 13.354 -1.054 7.638 1.00 0.00 C ATOM 997 CG GLU A 64 14.389 -1.283 6.530 1.00 0.00 C ATOM 998 CD GLU A 64 15.690 -0.522 6.748 1.00 0.00 C ATOM 999 OE1 GLU A 64 16.081 -0.290 7.919 1.00 0.00 O ATOM 1000 OE2 GLU A 64 16.351 -0.218 5.723 1.00 0.00 O ATOM 0 H GLU A 64 13.033 -3.356 6.570 1.00 0.00 H new ATOM 0 HA GLU A 64 11.312 -1.537 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.200 0.016 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.737 -1.445 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.608 -2.349 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.958 -0.985 5.574 1.00 0.00 H new ATOM 1007 N LEU A 65 11.191 0.163 5.980 1.00 0.00 N ATOM 1008 CA LEU A 65 10.873 0.987 4.811 1.00 0.00 C ATOM 1009 C LEU A 65 11.660 2.314 4.919 1.00 0.00 C ATOM 1010 O LEU A 65 12.591 2.430 5.723 1.00 0.00 O ATOM 1011 CB LEU A 65 9.335 1.165 4.696 1.00 0.00 C ATOM 1012 CG LEU A 65 8.675 0.036 3.880 1.00 0.00 C ATOM 1013 CD1 LEU A 65 7.161 -0.037 4.097 1.00 0.00 C ATOM 1014 CD2 LEU A 65 8.899 0.168 2.377 1.00 0.00 C ATOM 0 H LEU A 65 11.215 0.719 6.835 1.00 0.00 H new ATOM 0 HA LEU A 65 11.183 0.507 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.899 1.191 5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.117 2.125 4.227 1.00 0.00 H new ATOM 0 HG LEU A 65 9.160 -0.868 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.746 -0.849 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.953 -0.220 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.704 0.906 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.409 -0.658 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.481 1.112 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.968 0.144 2.165 1.00 0.00 H new ATOM 1026 N ASN A 66 11.350 3.305 4.073 1.00 0.00 N ATOM 1027 CA ASN A 66 11.985 4.629 4.033 1.00 0.00 C ATOM 1028 C ASN A 66 10.918 5.642 3.603 1.00 0.00 C ATOM 1029 O ASN A 66 10.108 5.297 2.734 1.00 0.00 O ATOM 1030 CB ASN A 66 13.127 4.592 2.996 1.00 0.00 C ATOM 1031 CG ASN A 66 14.252 5.584 3.223 1.00 0.00 C ATOM 1032 OD1 ASN A 66 14.618 5.926 4.341 1.00 0.00 O ATOM 1033 ND2 ASN A 66 14.853 6.052 2.149 1.00 0.00 N ATOM 0 H ASN A 66 10.620 3.202 3.368 1.00 0.00 H new ATOM 0 HA ASN A 66 12.393 4.907 5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 66 13.550 3.587 2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.702 4.771 2.008 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.631 6.705 2.244 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.541 5.761 1.222 1.00 0.00 H new ATOM 1040 N PRO A 67 10.904 6.892 4.106 1.00 0.00 N ATOM 1041 CA PRO A 67 9.824 7.834 3.819 1.00 0.00 C ATOM 1042 C PRO A 67 9.839 8.272 2.358 1.00 0.00 C ATOM 1043 O PRO A 67 8.800 8.613 1.799 1.00 0.00 O ATOM 1044 CB PRO A 67 10.065 9.021 4.750 1.00 0.00 C ATOM 1045 CG PRO A 67 11.565 9.008 5.005 1.00 0.00 C ATOM 1046 CD PRO A 67 11.924 7.527 4.925 1.00 0.00 C ATOM 0 HA PRO A 67 8.846 7.381 3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 67 9.749 9.957 4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.504 8.917 5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.104 9.593 4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.811 9.429 5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 67 12.912 7.392 4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 67 11.954 7.082 5.920 1.00 0.00 H new ATOM 1054 N VAL A 68 11.008 8.202 1.722 1.00 0.00 N ATOM 1055 CA VAL A 68 11.221 8.493 0.318 1.00 0.00 C ATOM 1056 C VAL A 68 10.246 7.714 -0.550 1.00 0.00 C ATOM 1057 O VAL A 68 9.858 8.216 -1.593 1.00 0.00 O ATOM 1058 CB VAL A 68 12.664 8.144 -0.073 1.00 0.00 C ATOM 1059 CG1 VAL A 68 12.969 8.608 -1.505 1.00 0.00 C ATOM 1060 CG2 VAL A 68 13.685 8.719 0.913 1.00 0.00 C ATOM 0 H VAL A 68 11.867 7.928 2.199 1.00 0.00 H new ATOM 0 HA VAL A 68 11.049 9.557 0.156 1.00 0.00 H new ATOM 0 HB VAL A 68 12.754 7.058 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.997 8.350 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.288 8.116 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.838 9.688 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.691 8.446 0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.594 9.805 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.497 8.316 1.908 1.00 0.00 H new ATOM 1070 N LEU A 69 9.822 6.515 -0.150 1.00 0.00 N ATOM 1071 CA LEU A 69 8.944 5.721 -0.991 1.00 0.00 C ATOM 1072 C LEU A 69 7.529 6.269 -1.039 1.00 0.00 C ATOM 1073 O LEU A 69 6.853 6.067 -2.044 1.00 0.00 O ATOM 1074 CB LEU A 69 8.917 4.287 -0.502 1.00 0.00 C ATOM 1075 CG LEU A 69 10.283 3.589 -0.606 1.00 0.00 C ATOM 1076 CD1 LEU A 69 10.055 2.179 -0.109 1.00 0.00 C ATOM 1077 CD2 LEU A 69 10.865 3.529 -2.018 1.00 0.00 C ATOM 0 H LEU A 69 10.071 6.082 0.739 1.00 0.00 H new ATOM 0 HA LEU A 69 9.346 5.766 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.585 4.269 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.184 3.726 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 69 11.008 4.159 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.990 1.621 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.701 2.209 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.309 1.689 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.828 3.020 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.183 2.983 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.999 4.541 -2.399 1.00 0.00 H new ATOM 1089 N ILE A 70 7.105 7.004 -0.010 1.00 0.00 N ATOM 1090 CA ILE A 70 5.940 7.874 -0.112 1.00 0.00 C ATOM 1091 C ILE A 70 6.218 8.840 -1.253 1.00 0.00 C ATOM 1092 O ILE A 70 5.469 8.905 -2.217 1.00 0.00 O ATOM 1093 CB ILE A 70 5.626 8.579 1.225 1.00 0.00 C ATOM 1094 CG1 ILE A 70 5.591 7.592 2.410 1.00 0.00 C ATOM 1095 CG2 ILE A 70 4.305 9.365 1.129 1.00 0.00 C ATOM 1096 CD1 ILE A 70 4.609 6.427 2.223 1.00 0.00 C ATOM 0 H ILE A 70 7.555 7.012 0.905 1.00 0.00 H new ATOM 0 HA ILE A 70 5.038 7.301 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 70 6.437 9.281 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.592 7.189 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.324 8.137 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.103 9.854 2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.386 10.118 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.491 8.680 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.643 5.778 3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.599 6.818 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.886 5.856 1.337 1.00 0.00 H new ATOM 1108 N PHE A 71 7.355 9.513 -1.178 1.00 0.00 N ATOM 1109 CA PHE A 71 7.734 10.631 -2.011 1.00 0.00 C ATOM 1110 C PHE A 71 8.283 10.201 -3.385 1.00 0.00 C ATOM 1111 O PHE A 71 8.902 11.025 -4.059 1.00 0.00 O ATOM 1112 CB PHE A 71 8.761 11.445 -1.205 1.00 0.00 C ATOM 1113 CG PHE A 71 8.465 11.664 0.281 1.00 0.00 C ATOM 1114 CD1 PHE A 71 7.143 11.815 0.757 1.00 0.00 C ATOM 1115 CD2 PHE A 71 9.527 11.716 1.209 1.00 0.00 C ATOM 1116 CE1 PHE A 71 6.890 12.114 2.099 1.00 0.00 C ATOM 1117 CE2 PHE A 71 9.272 12.023 2.559 1.00 0.00 C ATOM 1118 CZ PHE A 71 7.956 12.243 3.001 1.00 0.00 C ATOM 0 H PHE A 71 8.074 9.277 -0.495 1.00 0.00 H new ATOM 0 HA PHE A 71 6.858 11.234 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.727 10.947 -1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.864 12.422 -1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.315 11.698 0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.538 11.520 0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.874 12.246 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.092 12.090 3.259 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.767 12.510 4.030 1.00 0.00 H new ATOM 1128 N ASN A 72 8.129 8.930 -3.777 1.00 0.00 N ATOM 1129 CA ASN A 72 8.707 8.332 -4.987 1.00 0.00 C ATOM 1130 C ASN A 72 7.731 7.334 -5.618 1.00 0.00 C ATOM 1131 O ASN A 72 7.707 7.174 -6.839 1.00 0.00 O ATOM 1132 CB ASN A 72 10.039 7.626 -4.655 1.00 0.00 C ATOM 1133 CG ASN A 72 10.937 7.334 -5.856 1.00 0.00 C ATOM 1134 OD1 ASN A 72 10.675 7.707 -6.997 1.00 0.00 O ATOM 1135 ND2 ASN A 72 12.049 6.652 -5.632 1.00 0.00 N ATOM 0 H ASN A 72 7.576 8.263 -3.238 1.00 0.00 H new ATOM 0 HA ASN A 72 8.898 9.132 -5.702 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.593 8.244 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.817 6.686 -4.150 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.681 6.440 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.274 6.339 -4.688 1.00 0.00 H new ATOM 1142 N TYR A 73 6.908 6.644 -4.814 1.00 0.00 N ATOM 1143 CA TYR A 73 5.877 5.749 -5.305 1.00 0.00 C ATOM 1144 C TYR A 73 4.563 6.021 -4.538 1.00 0.00 C ATOM 1145 O TYR A 73 4.126 5.167 -3.766 1.00 0.00 O ATOM 1146 CB TYR A 73 6.406 4.301 -5.184 1.00 0.00 C ATOM 1147 CG TYR A 73 7.817 4.078 -5.721 1.00 0.00 C ATOM 1148 CD1 TYR A 73 8.062 3.744 -7.066 1.00 0.00 C ATOM 1149 CD2 TYR A 73 8.912 4.255 -4.861 1.00 0.00 C ATOM 1150 CE1 TYR A 73 9.366 3.769 -7.592 1.00 0.00 C ATOM 1151 CE2 TYR A 73 10.222 4.255 -5.367 1.00 0.00 C ATOM 1152 CZ TYR A 73 10.455 4.099 -6.754 1.00 0.00 C ATOM 1153 OH TYR A 73 11.734 4.043 -7.228 1.00 0.00 O ATOM 0 H TYR A 73 6.949 6.700 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 73 5.644 5.914 -6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.384 4.010 -4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.724 3.636 -5.714 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.236 3.464 -7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.746 4.392 -3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.535 3.537 -8.633 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.057 4.375 -4.693 1.00 0.00 H new ATOM 0 HH TYR A 73 11.735 4.234 -8.189 1.00 0.00 H new ATOM 1163 N PRO A 74 3.917 7.197 -4.676 1.00 0.00 N ATOM 1164 CA PRO A 74 2.676 7.524 -3.958 1.00 0.00 C ATOM 1165 C PRO A 74 1.413 6.991 -4.664 1.00 0.00 C ATOM 1166 O PRO A 74 0.389 7.660 -4.677 1.00 0.00 O ATOM 1167 CB PRO A 74 2.672 9.065 -3.914 1.00 0.00 C ATOM 1168 CG PRO A 74 3.349 9.439 -5.229 1.00 0.00 C ATOM 1169 CD PRO A 74 4.415 8.365 -5.388 1.00 0.00 C ATOM 0 HA PRO A 74 2.652 7.060 -2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.660 9.466 -3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.220 9.447 -3.053 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.644 9.433 -6.061 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.786 10.437 -5.188 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.585 8.137 -6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.368 8.697 -4.975 1.00 0.00 H new ATOM 1177 N THR A 75 1.421 5.764 -5.176 1.00 0.00 N ATOM 1178 CA THR A 75 0.290 5.118 -5.848 1.00 0.00 C ATOM 1179 C THR A 75 0.491 3.617 -5.652 1.00 0.00 C ATOM 1180 O THR A 75 1.624 3.161 -5.451 1.00 0.00 O ATOM 1181 CB THR A 75 0.251 5.500 -7.338 1.00 0.00 C ATOM 1182 OG1 THR A 75 1.355 4.950 -8.011 1.00 0.00 O ATOM 1183 CG2 THR A 75 0.230 7.001 -7.667 1.00 0.00 C ATOM 0 H THR A 75 2.246 5.166 -5.134 1.00 0.00 H new ATOM 0 HA THR A 75 -0.666 5.438 -5.433 1.00 0.00 H new ATOM 0 HB THR A 75 -0.706 5.096 -7.668 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.676 5.584 -8.685 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.203 7.136 -8.748 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.653 7.459 -7.222 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.126 7.474 -7.265 1.00 0.00 H new ATOM 1191 N ILE A 76 -0.572 2.812 -5.711 1.00 0.00 N ATOM 1192 CA ILE A 76 -0.420 1.367 -5.578 1.00 0.00 C ATOM 1193 C ILE A 76 0.397 0.837 -6.764 1.00 0.00 C ATOM 1194 O ILE A 76 1.348 0.086 -6.548 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.796 0.685 -5.389 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -2.340 0.801 -3.947 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.860 -0.772 -5.872 1.00 0.00 C ATOM 1198 CD1 ILE A 76 -3.569 1.706 -3.843 1.00 0.00 C ATOM 0 H ILE A 76 -1.531 3.132 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 76 0.140 1.119 -4.677 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.452 1.257 -6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.595 -0.193 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.554 1.188 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.861 -1.169 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.631 -0.813 -6.937 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.133 -1.370 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.904 1.747 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.311 2.710 -4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.369 1.307 -4.467 1.00 0.00 H new ATOM 1210 N ALA A 77 0.099 1.271 -7.993 1.00 0.00 N ATOM 1211 CA ALA A 77 0.710 0.789 -9.234 1.00 0.00 C ATOM 1212 C ALA A 77 2.206 1.125 -9.375 1.00 0.00 C ATOM 1213 O ALA A 77 2.865 0.721 -10.337 1.00 0.00 O ATOM 1214 CB ALA A 77 -0.073 1.388 -10.403 1.00 0.00 C ATOM 0 H ALA A 77 -0.601 1.995 -8.156 1.00 0.00 H new ATOM 0 HA ALA A 77 0.661 -0.300 -9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.359 1.047 -11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.114 1.069 -10.345 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.023 2.476 -10.355 1.00 0.00 H new ATOM 1220 N GLN A 78 2.765 1.873 -8.428 1.00 0.00 N ATOM 1221 CA GLN A 78 4.175 2.206 -8.332 1.00 0.00 C ATOM 1222 C GLN A 78 4.702 1.590 -7.045 1.00 0.00 C ATOM 1223 O GLN A 78 5.735 0.929 -7.077 1.00 0.00 O ATOM 1224 CB GLN A 78 4.336 3.742 -8.337 1.00 0.00 C ATOM 1225 CG GLN A 78 3.968 4.424 -9.664 1.00 0.00 C ATOM 1226 CD GLN A 78 3.866 5.944 -9.519 1.00 0.00 C ATOM 1227 OE1 GLN A 78 2.808 6.532 -9.725 1.00 0.00 O ATOM 1228 NE2 GLN A 78 4.932 6.638 -9.159 1.00 0.00 N ATOM 0 H GLN A 78 2.216 2.281 -7.671 1.00 0.00 H new ATOM 0 HA GLN A 78 4.741 1.814 -9.177 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.715 4.161 -7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.370 3.986 -8.094 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.718 4.181 -10.417 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.017 4.030 -10.023 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.816 6.161 -8.985 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.870 7.651 -9.055 1.00 0.00 H new ATOM 1237 N LEU A 79 4.020 1.774 -5.909 1.00 0.00 N ATOM 1238 CA LEU A 79 4.492 1.286 -4.622 1.00 0.00 C ATOM 1239 C LEU A 79 4.550 -0.231 -4.630 1.00 0.00 C ATOM 1240 O LEU A 79 5.620 -0.786 -4.413 1.00 0.00 O ATOM 1241 CB LEU A 79 3.619 1.796 -3.465 1.00 0.00 C ATOM 1242 CG LEU A 79 4.183 1.419 -2.082 1.00 0.00 C ATOM 1243 CD1 LEU A 79 5.586 1.981 -1.809 1.00 0.00 C ATOM 1244 CD2 LEU A 79 3.252 1.930 -0.984 1.00 0.00 C ATOM 0 H LEU A 79 3.127 2.265 -5.863 1.00 0.00 H new ATOM 0 HA LEU A 79 5.497 1.676 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.530 2.880 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.614 1.387 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 79 4.254 0.331 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.915 1.673 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.282 1.600 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.558 3.069 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.657 1.660 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.168 3.014 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.266 1.481 -1.105 1.00 0.00 H new ATOM 1256 N ALA A 80 3.421 -0.900 -4.884 1.00 0.00 N ATOM 1257 CA ALA A 80 3.352 -2.351 -4.941 1.00 0.00 C ATOM 1258 C ALA A 80 4.413 -2.887 -5.892 1.00 0.00 C ATOM 1259 O ALA A 80 5.180 -3.770 -5.513 1.00 0.00 O ATOM 1260 CB ALA A 80 1.973 -2.796 -5.412 1.00 0.00 C ATOM 0 H ALA A 80 2.527 -0.440 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 80 3.532 -2.747 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.935 -3.885 -5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.216 -2.431 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.780 -2.391 -6.405 1.00 0.00 H new ATOM 1266 N LYS A 81 4.503 -2.310 -7.094 1.00 0.00 N ATOM 1267 CA LYS A 81 5.516 -2.660 -8.067 1.00 0.00 C ATOM 1268 C LYS A 81 6.909 -2.593 -7.443 1.00 0.00 C ATOM 1269 O LYS A 81 7.618 -3.592 -7.386 1.00 0.00 O ATOM 1270 CB LYS A 81 5.382 -1.730 -9.279 1.00 0.00 C ATOM 1271 CG LYS A 81 6.391 -2.158 -10.337 1.00 0.00 C ATOM 1272 CD LYS A 81 7.001 -0.972 -11.059 1.00 0.00 C ATOM 1273 CE LYS A 81 7.881 -1.575 -12.154 1.00 0.00 C ATOM 1274 NZ LYS A 81 8.729 -0.581 -12.831 1.00 0.00 N ATOM 0 H LYS A 81 3.864 -1.581 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 81 5.373 -3.687 -8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.370 -1.777 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.560 -0.696 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.183 -2.741 -9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.902 -2.810 -11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.229 -0.331 -11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.588 -0.356 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.515 -2.347 -11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.246 -2.064 -12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.301 -1.052 -13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.129 0.143 -13.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.358 -0.131 -12.136 1.00 0.00 H new ATOM 1288 N ARG A 82 7.336 -1.408 -7.004 1.00 0.00 N ATOM 1289 CA ARG A 82 8.704 -1.194 -6.553 1.00 0.00 C ATOM 1290 C ARG A 82 8.999 -2.067 -5.328 1.00 0.00 C ATOM 1291 O ARG A 82 10.123 -2.533 -5.145 1.00 0.00 O ATOM 1292 CB ARG A 82 8.911 0.294 -6.247 1.00 0.00 C ATOM 1293 CG ARG A 82 10.265 0.847 -6.673 1.00 0.00 C ATOM 1294 CD ARG A 82 11.491 0.118 -6.180 1.00 0.00 C ATOM 1295 NE ARG A 82 12.680 0.494 -6.954 1.00 0.00 N ATOM 1296 CZ ARG A 82 13.620 -0.393 -7.299 1.00 0.00 C ATOM 1297 NH1 ARG A 82 13.769 -1.510 -6.602 1.00 0.00 N ATOM 1298 NH2 ARG A 82 14.386 -0.178 -8.352 1.00 0.00 N ATOM 0 H ARG A 82 6.745 -0.578 -6.953 1.00 0.00 H new ATOM 0 HA ARG A 82 9.402 -1.484 -7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.127 0.866 -6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.790 0.451 -5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.296 0.863 -7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.329 1.882 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.653 0.345 -5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.332 -0.958 -6.253 1.00 0.00 H new ATOM 0 HE ARG A 82 12.794 1.467 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.166 -1.695 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.487 -2.185 -6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.263 0.668 -8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.101 -0.858 -8.610 1.00 0.00 H new ATOM 1312 N LEU A 83 8.005 -2.325 -4.481 1.00 0.00 N ATOM 1313 CA LEU A 83 8.132 -3.260 -3.367 1.00 0.00 C ATOM 1314 C LEU A 83 8.407 -4.666 -3.901 1.00 0.00 C ATOM 1315 O LEU A 83 9.287 -5.351 -3.393 1.00 0.00 O ATOM 1316 CB LEU A 83 6.904 -3.194 -2.455 1.00 0.00 C ATOM 1317 CG LEU A 83 6.792 -1.854 -1.698 1.00 0.00 C ATOM 1318 CD1 LEU A 83 5.473 -1.825 -0.938 1.00 0.00 C ATOM 1319 CD2 LEU A 83 7.910 -1.620 -0.686 1.00 0.00 C ATOM 0 H LEU A 83 7.085 -1.889 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 83 8.983 -2.977 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.005 -3.345 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.948 -4.011 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 83 6.861 -1.071 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.384 -0.882 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.646 -1.921 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.444 -2.652 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.761 -0.658 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.897 -2.414 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.872 -1.621 -1.199 1.00 0.00 H new ATOM 1331 N GLY A 84 7.774 -5.065 -4.996 1.00 0.00 N ATOM 1332 CA GLY A 84 8.090 -6.293 -5.702 1.00 0.00 C ATOM 1333 C GLY A 84 9.467 -6.327 -6.364 1.00 0.00 C ATOM 1334 O GLY A 84 9.763 -7.301 -7.054 1.00 0.00 O ATOM 0 H GLY A 84 7.015 -4.534 -5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.021 -7.125 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.332 -6.458 -6.468 1.00 0.00 H new ATOM 1338 N GLU A 85 10.305 -5.300 -6.209 1.00 0.00 N ATOM 1339 CA GLU A 85 11.673 -5.272 -6.716 1.00 0.00 C ATOM 1340 C GLU A 85 12.687 -5.097 -5.587 1.00 0.00 C ATOM 1341 O GLU A 85 13.774 -5.684 -5.602 1.00 0.00 O ATOM 1342 CB GLU A 85 11.835 -4.086 -7.668 1.00 0.00 C ATOM 1343 CG GLU A 85 11.021 -4.174 -8.964 1.00 0.00 C ATOM 1344 CD GLU A 85 11.873 -4.276 -10.230 1.00 0.00 C ATOM 1345 OE1 GLU A 85 12.828 -3.477 -10.380 1.00 0.00 O ATOM 1346 OE2 GLU A 85 11.524 -5.093 -11.119 1.00 0.00 O ATOM 0 H GLU A 85 10.043 -4.447 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 85 11.856 -6.220 -7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.551 -3.176 -7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.890 -3.989 -7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.364 -5.042 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.381 -3.295 -9.039 1.00 0.00 H new ATOM 1353 N LEU A 86 12.365 -4.247 -4.613 1.00 0.00 N ATOM 1354 CA LEU A 86 13.165 -4.064 -3.408 1.00 0.00 C ATOM 1355 C LEU A 86 13.141 -5.327 -2.548 1.00 0.00 C ATOM 1356 O LEU A 86 14.123 -5.608 -1.862 1.00 0.00 O ATOM 1357 CB LEU A 86 12.595 -2.902 -2.587 1.00 0.00 C ATOM 1358 CG LEU A 86 12.783 -1.507 -3.173 1.00 0.00 C ATOM 1359 CD1 LEU A 86 11.979 -0.514 -2.334 1.00 0.00 C ATOM 1360 CD2 LEU A 86 14.243 -1.086 -3.240 1.00 0.00 C ATOM 0 H LEU A 86 11.531 -3.660 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 86 14.192 -3.851 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.528 -3.073 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.054 -2.923 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 86 12.424 -1.520 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.103 0.490 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.924 -0.788 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.336 -0.535 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.314 -0.085 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 86 14.668 -1.084 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.795 -1.786 -3.866 1.00 0.00 H new ATOM 1372 N TYR A 87 12.030 -6.064 -2.595 1.00 0.00 N ATOM 1373 CA TYR A 87 11.765 -7.206 -1.729 1.00 0.00 C ATOM 1374 C TYR A 87 11.661 -8.470 -2.574 1.00 0.00 C ATOM 1375 O TYR A 87 12.493 -9.365 -2.414 1.00 0.00 O ATOM 1376 CB TYR A 87 10.523 -6.986 -0.839 1.00 0.00 C ATOM 1377 CG TYR A 87 10.577 -5.768 0.076 1.00 0.00 C ATOM 1378 CD1 TYR A 87 10.471 -4.482 -0.472 1.00 0.00 C ATOM 1379 CD2 TYR A 87 10.690 -5.901 1.471 1.00 0.00 C ATOM 1380 CE1 TYR A 87 10.601 -3.336 0.321 1.00 0.00 C ATOM 1381 CE2 TYR A 87 10.697 -4.754 2.288 1.00 0.00 C ATOM 1382 CZ TYR A 87 10.705 -3.464 1.715 1.00 0.00 C ATOM 1383 OH TYR A 87 10.812 -2.329 2.455 1.00 0.00 O ATOM 0 H TYR A 87 11.274 -5.876 -3.253 1.00 0.00 H new ATOM 0 HA TYR A 87 12.600 -7.323 -1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 87 9.648 -6.896 -1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 87 10.377 -7.874 -0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 87 10.285 -4.373 -1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 87 10.771 -6.882 1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 87 10.621 -2.358 -0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 87 10.696 -4.862 3.363 1.00 0.00 H new ATOM 0 HH TYR A 87 10.970 -2.564 3.393 1.00 0.00 H new ATOM 1393 N LEU A 88 10.643 -8.546 -3.443 1.00 0.00 N ATOM 1394 CA LEU A 88 10.362 -9.734 -4.239 1.00 0.00 C ATOM 1395 C LEU A 88 11.263 -9.796 -5.466 1.00 0.00 C ATOM 1396 O LEU A 88 10.903 -10.456 -6.465 1.00 0.00 O ATOM 1397 CB LEU A 88 8.872 -9.773 -4.618 1.00 0.00 C ATOM 1398 CG LEU A 88 7.845 -9.476 -3.517 1.00 0.00 C ATOM 1399 CD1 LEU A 88 6.458 -9.781 -4.075 1.00 0.00 C ATOM 1400 CD2 LEU A 88 8.085 -10.354 -2.295 1.00 0.00 C ATOM 0 H LEU A 88 9.993 -7.778 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 88 10.580 -10.619 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.713 -9.058 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.655 -10.762 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 88 7.934 -8.433 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.706 -9.578 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.270 -9.153 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.406 -10.830 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.344 -10.123 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.000 -11.403 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.084 -10.165 -1.901 1.00 0.00 H new TER 1412 LEU A 88 END