USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 915 hydrogens (0 hets) HEADER GENE REGULATION 29-JUN-99 1QTU TITLE SOLUTION STRUCTURE OF THE ONCOPROTEIN P13MTCP1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (PRODUCT OF THE MTCP1 ONCOGENE); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL: T-CELLS; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_CELL: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PGEX-2T KEYWDS BETA BARREL, GENE REGULATION EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR L.GUIGNARD,A.PADILLA,J.MISPELTER,Y-S.YANG,M-H.STERN,J- AUTHOR 2 M.LHOSTE,C.ROUMESTAND REVDAT 3 24-FEB-09 1QTU 1 VERSN REVDAT 2 01-APR-03 1QTU 1 JRNL REVDAT 1 19-JAN-01 1QTU 0 JRNL AUTH L.GUIGNARD,A.PADILLA,J.MISPELTER,Y.S.YANG, JRNL AUTH 2 M.H.STERN,J.M.LHOSTE,C.ROUMESTAND JRNL TITL BACKBONE DYNAMICS AND SOLUTION STRUCTURE JRNL TITL 2 REFINEMENT OF THE 15N-LABELED HUMAN ONCOGENIC JRNL TITL 3 PROTEIN P13MTCP1: COMPARISON WITH X-RAY DATA. JRNL REF J.BIOMOL.NMR V. 17 215 2000 JRNL REFN ISSN 0925-2738 JRNL PMID 10959629 JRNL DOI 10.1023/A:1008386110930 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Y-S.YANG,L GUIGNARD,A.PADILLA,F.HOH,M-P.STRUB REMARK 1 TITL SOLUTION STRUCTURE OF THE RECOMBINANT HUMAN REMARK 1 TITL 2 ONCOPROTEIN P13MTCP1 REMARK 1 REF J.BIOMOL.NMR V. 11 337 1998 REMARK 1 REFN ISSN 0925-2738 REMARK 1 DOI 10.1023/A:1008279616063 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 4.1 REMARK 3 AUTHORS : KOLLMAN. P-A. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 1773 NOE RESTRAINTS, 80 DIHEDRAL ANGLE RESTRAINTS REMARK 4 REMARK 4 1QTU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-JUN-99. REMARK 100 THE RCSB ID CODE IS RCSB009259. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM P13MTCP1 U-15N; 20MM REMARK 210 PHOSPHATE BUFFER NA;90% H2O, REMARK 210 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 2D REMARK 210 NOESY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 800 MHZ, 400 MHZ REMARK 210 SPECTROMETER MODEL : AMX, DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING 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 ARG A 116 REMARK 465 ASP A 117 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 HIS A 18 -31.89 -137.71 REMARK 500 GLU A 20 99.79 -63.69 REMARK 500 SER A 40 27.83 -152.85 REMARK 500 ALA A 57 -7.67 59.29 REMARK 500 THR A 64 -72.60 -64.85 REMARK 500 SER A 65 27.30 45.43 REMARK 500 GLN A 66 -72.59 -65.72 REMARK 500 GLU A 77 71.81 56.29 REMARK 500 PRO A 107 117.14 -38.22 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 43 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1A1X RELATED DB: PDB REMARK 900 1A1X CONTAINS THE RX STRUCTURE OF P13MTCP1 DBREF 1QTU A 1 117 UNP P56278 MTCPB_HUMAN 1 117 SEQRES 1 A 117 GLY SER MET ALA GLY GLU ASP VAL GLY ALA PRO PRO ASP SEQRES 2 A 117 HIS LEU TRP VAL HIS GLN GLU GLY ILE TYR ARG ASP GLU SEQRES 3 A 117 TYR GLN ARG THR TRP VAL ALA VAL VAL GLU GLU GLU THR SEQRES 4 A 117 SER PHE LEU ARG ALA ARG VAL GLN GLN ILE GLN VAL PRO SEQRES 5 A 117 LEU GLY ASP ALA ALA ARG PRO SER HIS LEU LEU THR SER SEQRES 6 A 117 GLN LEU PRO LEU MET TRP GLN LEU TYR PRO GLU GLU ARG SEQRES 7 A 117 TYR MET ASP ASN ASN SER ARG LEU TRP GLN ILE GLN HIS SEQRES 8 A 117 HIS LEU MET VAL ARG GLY VAL GLN GLU LEU LEU LEU LYS SEQRES 9 A 117 LEU LEU PRO ASP ASP ARG SER PRO GLY ILE HIS ARG ASP HELIX 1 1 ARG A 58 SER A 65 1 8 SHEET 1 A 9 HIS A 14 GLN A 19 0 SHEET 2 A 9 ILE A 22 ARG A 24 -1 N ILE A 22 O GLN A 19 SHEET 3 A 9 THR A 30 GLU A 38 -1 O TRP A 31 N TYR A 23 SHEET 4 A 9 PHE A 41 GLN A 48 -1 O PHE A 41 N GLU A 38 SHEET 5 A 9 VAL A 98 LEU A 105 -1 O GLN A 99 N GLN A 48 SHEET 6 A 9 LEU A 86 VAL A 95 -1 N GLN A 88 O LYS A 104 SHEET 7 A 9 ARG A 78 ASP A 81 -1 O TYR A 79 N TRP A 87 SHEET 8 A 9 MET A 70 TYR A 74 -1 N GLN A 72 O MET A 80 SHEET 9 A 9 HIS A 14 GLN A 19 -1 O LEU A 15 N TRP A 71 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 92 HIS : no HE2:sc= 0.971 K(o=2.9,f=-11!) USER MOD Set 1.2: A 99 GLN : amide:sc= 1.97 K(o=2.9,f=-7.1!) USER MOD Set 2.1: A 88 GLN : amide:sc= -0.669! C(o=0.33!,f=-6.2!) USER MOD Set 2.2: A 90 GLN : amide:sc= -0.33! X(o=0.33!,f=0.52) USER MOD Set 2.3: A 104 LYS NZ :NH3+ -146:sc= 1.33 (180deg=0.264) USER MOD Set 3.1: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 72 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.11) USER MOD Set 4.1: A 60 SER OG : rot 139:sc= 1.24 USER MOD Set 4.2: A 61 HIS : no HE2:sc= -0.0162 K(o=1.2,f=-12!) USER MOD Set 5.1: A 48 GLN : amide:sc= -0.99! C(o=-2.7!,f=-6.6!) USER MOD Set 5.2: A 50 GLN : amide:sc= -1.7! C(o=-2.7!,f=-1.1!) USER MOD Single : A 1 GLY N :NH3+ -160:sc= -0.0767 (180deg=-0.11) USER MOD Single : A 2 SER OG : rot 55:sc= 1.83 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -3.62 X(o=-3.6,f=-3.4) USER MOD Single : A 18 HIS : no HE2:sc= 0.622 K(o=0.62,f=-5.6!) USER MOD Single : A 19 GLN : amide:sc= 1.51 K(o=1.5,f=-0.77) USER MOD Single : A 23 TYR OH : rot -178:sc= 1.04 USER MOD Single : A 27 TYR OH : rot -162:sc= 1.29 USER MOD Single : A 28 GLN : amide:sc= 0.677 K(o=0.68,f=-5!) USER MOD Single : A 30 THR OG1 : rot 78:sc= 1.69 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 40 SER OG : rot -9:sc= 1.19 USER MOD Single : A 47 GLN : amide:sc= 1 K(o=1,f=-1.6!) USER MOD Single : A 64 THR OG1 : rot -84:sc= 1.09 USER MOD Single : A 65 SER OG : rot -64:sc= 1.26 USER MOD Single : A 66 GLN : amide:sc= 0.0682 K(o=0.068,f=-2.3) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -148:sc= 1.13 USER MOD Single : A 80 MET CE :methyl -171:sc= 0 (180deg=-0.148) USER MOD Single : A 82 ASN : amide:sc= 0.297 K(o=0.3,f=-6.7!) USER MOD Single : A 83 ASN : amide:sc= -0.0815 K(o=-0.082,f=-1.1!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -2.39 X(o=-2.4,f=-2.3) USER MOD Single : A 94 MET CE :methyl 171:sc= -0.0484 (180deg=-0.363) USER MOD Single : A 111 SER OG : rot 60:sc= 1.15 USER MOD Single : A 115 HIS : no HE2:sc= 0.46 K(o=0.46,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.112 -6.251 -12.032 1.00 10.00 N ATOM 2 CA GLY A 1 11.461 -6.595 -12.461 1.00 10.00 C ATOM 3 C GLY A 1 12.530 -5.678 -11.860 1.00 10.00 C ATOM 4 O GLY A 1 13.717 -5.977 -11.954 1.00 10.00 O ATOM 0 H1 GLY A 1 9.483 -7.067 -12.175 1.00 10.00 H new ATOM 0 H2 GLY A 1 10.123 -5.995 -11.024 1.00 10.00 H new ATOM 0 H3 GLY A 1 9.765 -5.445 -12.590 1.00 10.00 H new ATOM 0 HA2 GLY A 1 11.674 -7.626 -12.180 1.00 10.00 H new ATOM 0 HA3 GLY A 1 11.515 -6.544 -13.548 1.00 10.00 H new ATOM 8 N SER A 2 12.117 -4.590 -11.200 1.00 10.00 N ATOM 9 CA SER A 2 12.988 -3.669 -10.473 1.00 10.00 C ATOM 10 C SER A 2 13.636 -4.312 -9.239 1.00 10.00 C ATOM 11 O SER A 2 14.603 -3.773 -8.704 1.00 10.00 O ATOM 12 CB SER A 2 12.169 -2.434 -10.080 1.00 10.00 C ATOM 13 OG SER A 2 10.891 -2.806 -9.593 1.00 10.00 O ATOM 0 H SER A 2 11.134 -4.320 -11.158 1.00 10.00 H new ATOM 0 HA SER A 2 13.812 -3.386 -11.128 1.00 10.00 H new ATOM 0 HB2 SER A 2 12.702 -1.867 -9.317 1.00 10.00 H new ATOM 0 HB3 SER A 2 12.056 -1.778 -10.943 1.00 10.00 H new ATOM 0 HG SER A 2 10.994 -3.448 -8.860 1.00 10.00 H new ATOM 19 N MET A 3 13.133 -5.471 -8.797 1.00 10.00 N ATOM 20 CA MET A 3 13.676 -6.274 -7.706 1.00 10.00 C ATOM 21 C MET A 3 14.937 -7.035 -8.141 1.00 10.00 C ATOM 22 O MET A 3 15.026 -8.261 -8.053 1.00 10.00 O ATOM 23 CB MET A 3 12.571 -7.164 -7.115 1.00 10.00 C ATOM 24 CG MET A 3 11.843 -8.098 -8.093 1.00 10.00 C ATOM 25 SD MET A 3 10.390 -8.903 -7.358 1.00 10.00 S ATOM 26 CE MET A 3 9.822 -9.885 -8.771 1.00 10.00 C ATOM 0 H MET A 3 12.300 -5.889 -9.211 1.00 10.00 H new ATOM 0 HA MET A 3 14.012 -5.621 -6.901 1.00 10.00 H new ATOM 0 HB2 MET A 3 13.010 -7.773 -6.325 1.00 10.00 H new ATOM 0 HB3 MET A 3 11.829 -6.519 -6.644 1.00 10.00 H new ATOM 0 HG2 MET A 3 11.532 -7.527 -8.968 1.00 10.00 H new ATOM 0 HG3 MET A 3 12.537 -8.862 -8.442 1.00 10.00 H new ATOM 0 HE1 MET A 3 8.930 -10.446 -8.490 1.00 10.00 H new ATOM 0 HE2 MET A 3 9.586 -9.222 -9.604 1.00 10.00 H new ATOM 0 HE3 MET A 3 10.607 -10.579 -9.071 1.00 10.00 H new ATOM 36 N ALA A 4 15.913 -6.273 -8.632 1.00 10.00 N ATOM 37 CA ALA A 4 17.190 -6.745 -9.125 1.00 10.00 C ATOM 38 C ALA A 4 18.049 -7.256 -7.966 1.00 10.00 C ATOM 39 O ALA A 4 18.237 -6.555 -6.969 1.00 10.00 O ATOM 40 CB ALA A 4 17.896 -5.608 -9.871 1.00 10.00 C ATOM 0 H ALA A 4 15.822 -5.259 -8.697 1.00 10.00 H new ATOM 0 HA ALA A 4 17.032 -7.574 -9.815 1.00 10.00 H new ATOM 0 HB1 ALA A 4 18.858 -5.960 -10.244 1.00 10.00 H new ATOM 0 HB2 ALA A 4 17.279 -5.284 -10.709 1.00 10.00 H new ATOM 0 HB3 ALA A 4 18.054 -4.770 -9.192 1.00 10.00 H new ATOM 46 N GLY A 5 18.599 -8.466 -8.111 1.00 10.00 N ATOM 47 CA GLY A 5 19.476 -9.088 -7.128 1.00 10.00 C ATOM 48 C GLY A 5 18.680 -9.565 -5.918 1.00 10.00 C ATOM 49 O GLY A 5 18.453 -10.765 -5.765 1.00 10.00 O ATOM 0 H GLY A 5 18.440 -9.048 -8.934 1.00 10.00 H new ATOM 0 HA2 GLY A 5 19.998 -9.931 -7.581 1.00 10.00 H new ATOM 0 HA3 GLY A 5 20.237 -8.375 -6.810 1.00 10.00 H new ATOM 53 N GLU A 6 18.233 -8.631 -5.074 1.00 10.00 N ATOM 54 CA GLU A 6 17.351 -8.899 -3.953 1.00 10.00 C ATOM 55 C GLU A 6 15.920 -9.098 -4.473 1.00 10.00 C ATOM 56 O GLU A 6 15.029 -8.273 -4.269 1.00 10.00 O ATOM 57 CB GLU A 6 17.502 -7.821 -2.863 1.00 10.00 C ATOM 58 CG GLU A 6 16.867 -8.307 -1.548 1.00 10.00 C ATOM 59 CD GLU A 6 17.121 -7.401 -0.341 1.00 10.00 C ATOM 60 OE1 GLU A 6 18.240 -6.847 -0.218 1.00 10.00 O ATOM 61 OE2 GLU A 6 16.214 -7.334 0.520 1.00 10.00 O ATOM 0 H GLU A 6 18.485 -7.646 -5.160 1.00 10.00 H new ATOM 0 HA GLU A 6 17.630 -9.828 -3.456 1.00 10.00 H new ATOM 0 HB2 GLU A 6 18.557 -7.597 -2.706 1.00 10.00 H new ATOM 0 HB3 GLU A 6 17.025 -6.896 -3.187 1.00 10.00 H new ATOM 0 HG2 GLU A 6 15.791 -8.402 -1.694 1.00 10.00 H new ATOM 0 HG3 GLU A 6 17.247 -9.303 -1.323 1.00 10.00 H new ATOM 68 N ASP A 7 15.728 -10.206 -5.193 1.00 10.00 N ATOM 69 CA ASP A 7 14.452 -10.655 -5.699 1.00 10.00 C ATOM 70 C ASP A 7 13.534 -11.065 -4.544 1.00 10.00 C ATOM 71 O ASP A 7 13.965 -11.330 -3.422 1.00 10.00 O ATOM 72 CB ASP A 7 14.672 -11.809 -6.688 1.00 10.00 C ATOM 73 CG ASP A 7 13.362 -12.370 -7.231 1.00 10.00 C ATOM 74 OD1 ASP A 7 12.575 -11.555 -7.758 1.00 10.00 O ATOM 75 OD2 ASP A 7 13.108 -13.572 -7.012 1.00 10.00 O ATOM 0 H ASP A 7 16.494 -10.831 -5.443 1.00 10.00 H new ATOM 0 HA ASP A 7 13.960 -9.840 -6.229 1.00 10.00 H new ATOM 0 HB2 ASP A 7 15.286 -11.460 -7.518 1.00 10.00 H new ATOM 0 HB3 ASP A 7 15.228 -12.606 -6.194 1.00 10.00 H new ATOM 80 N VAL A 8 12.244 -11.121 -4.863 1.00 10.00 N ATOM 81 CA VAL A 8 11.132 -11.214 -3.923 1.00 10.00 C ATOM 82 C VAL A 8 10.087 -12.261 -4.339 1.00 10.00 C ATOM 83 O VAL A 8 9.007 -12.381 -3.765 1.00 10.00 O ATOM 84 CB VAL A 8 10.509 -9.816 -3.734 1.00 10.00 C ATOM 85 CG1 VAL A 8 9.720 -9.686 -2.429 1.00 10.00 C ATOM 86 CG2 VAL A 8 11.522 -8.659 -3.721 1.00 10.00 C ATOM 0 H VAL A 8 11.931 -11.102 -5.833 1.00 10.00 H new ATOM 0 HA VAL A 8 11.521 -11.563 -2.966 1.00 10.00 H new ATOM 0 HB VAL A 8 9.862 -9.734 -4.607 1.00 10.00 H new ATOM 0 HG11 VAL A 8 9.306 -8.681 -2.353 1.00 10.00 H new ATOM 0 HG12 VAL A 8 8.909 -10.414 -2.420 1.00 10.00 H new ATOM 0 HG13 VAL A 8 10.383 -9.871 -1.583 1.00 10.00 H new ATOM 0 HG21 VAL A 8 10.995 -7.715 -3.583 1.00 10.00 H new ATOM 0 HG22 VAL A 8 12.228 -8.803 -2.903 1.00 10.00 H new ATOM 0 HG23 VAL A 8 12.062 -8.638 -4.667 1.00 10.00 H new ATOM 96 N GLY A 9 10.419 -13.013 -5.377 1.00 10.00 N ATOM 97 CA GLY A 9 9.598 -14.017 -6.034 1.00 10.00 C ATOM 98 C GLY A 9 8.476 -13.371 -6.843 1.00 10.00 C ATOM 99 O GLY A 9 8.447 -13.500 -8.065 1.00 10.00 O ATOM 0 H GLY A 9 11.337 -12.931 -5.814 1.00 10.00 H new ATOM 0 HA2 GLY A 9 10.220 -14.625 -6.691 1.00 10.00 H new ATOM 0 HA3 GLY A 9 9.172 -14.687 -5.287 1.00 10.00 H new ATOM 103 N ALA A 10 7.558 -12.673 -6.166 1.00 10.00 N ATOM 104 CA ALA A 10 6.430 -11.985 -6.762 1.00 10.00 C ATOM 105 C ALA A 10 5.915 -10.879 -5.828 1.00 10.00 C ATOM 106 O ALA A 10 5.906 -11.070 -4.606 1.00 10.00 O ATOM 107 CB ALA A 10 5.304 -12.985 -7.064 1.00 10.00 C ATOM 0 H ALA A 10 7.590 -12.574 -5.151 1.00 10.00 H new ATOM 0 HA ALA A 10 6.759 -11.525 -7.694 1.00 10.00 H new ATOM 0 HB1 ALA A 10 4.461 -12.459 -7.512 1.00 10.00 H new ATOM 0 HB2 ALA A 10 5.667 -13.744 -7.757 1.00 10.00 H new ATOM 0 HB3 ALA A 10 4.984 -13.463 -6.138 1.00 10.00 H new ATOM 113 N PRO A 11 5.456 -9.744 -6.389 1.00 10.00 N ATOM 114 CA PRO A 11 4.862 -8.647 -5.635 1.00 10.00 C ATOM 115 C PRO A 11 3.527 -9.056 -4.983 1.00 10.00 C ATOM 116 O PRO A 11 2.938 -10.064 -5.376 1.00 10.00 O ATOM 117 CB PRO A 11 4.712 -7.497 -6.644 1.00 10.00 C ATOM 118 CG PRO A 11 4.678 -8.174 -8.008 1.00 10.00 C ATOM 119 CD PRO A 11 5.518 -9.429 -7.806 1.00 10.00 C ATOM 0 HA PRO A 11 5.486 -8.344 -4.794 1.00 10.00 H new ATOM 0 HB2 PRO A 11 3.800 -6.929 -6.462 1.00 10.00 H new ATOM 0 HB3 PRO A 11 5.544 -6.797 -6.571 1.00 10.00 H new ATOM 0 HG2 PRO A 11 3.659 -8.418 -8.309 1.00 10.00 H new ATOM 0 HG3 PRO A 11 5.095 -7.533 -8.784 1.00 10.00 H new ATOM 0 HD2 PRO A 11 5.132 -10.254 -8.404 1.00 10.00 H new ATOM 0 HD3 PRO A 11 6.548 -9.261 -8.121 1.00 10.00 H new ATOM 127 N PRO A 12 3.022 -8.278 -4.003 1.00 10.00 N ATOM 128 CA PRO A 12 1.775 -8.569 -3.299 1.00 10.00 C ATOM 129 C PRO A 12 0.608 -8.461 -4.287 1.00 10.00 C ATOM 130 O PRO A 12 0.269 -7.355 -4.700 1.00 10.00 O ATOM 131 CB PRO A 12 1.714 -7.536 -2.168 1.00 10.00 C ATOM 132 CG PRO A 12 2.483 -6.347 -2.713 1.00 10.00 C ATOM 133 CD PRO A 12 3.592 -7.023 -3.517 1.00 10.00 C ATOM 0 HA PRO A 12 1.719 -9.576 -2.884 1.00 10.00 H new ATOM 0 HB2 PRO A 12 0.685 -7.269 -1.927 1.00 10.00 H new ATOM 0 HB3 PRO A 12 2.167 -7.919 -1.253 1.00 10.00 H new ATOM 0 HG2 PRO A 12 1.858 -5.709 -3.338 1.00 10.00 H new ATOM 0 HG3 PRO A 12 2.882 -5.720 -1.916 1.00 10.00 H new ATOM 0 HD2 PRO A 12 3.914 -6.393 -4.346 1.00 10.00 H new ATOM 0 HD3 PRO A 12 4.469 -7.206 -2.896 1.00 10.00 H new ATOM 141 N ASP A 13 0.021 -9.585 -4.713 1.00 10.00 N ATOM 142 CA ASP A 13 -0.989 -9.646 -5.781 1.00 10.00 C ATOM 143 C ASP A 13 -2.259 -8.848 -5.450 1.00 10.00 C ATOM 144 O ASP A 13 -2.975 -8.390 -6.347 1.00 10.00 O ATOM 145 CB ASP A 13 -1.347 -11.110 -6.060 1.00 10.00 C ATOM 146 CG ASP A 13 -2.402 -11.223 -7.157 1.00 10.00 C ATOM 147 OD1 ASP A 13 -2.022 -11.008 -8.329 1.00 10.00 O ATOM 148 OD2 ASP A 13 -3.565 -11.511 -6.799 1.00 10.00 O ATOM 0 H ASP A 13 0.238 -10.500 -4.317 1.00 10.00 H new ATOM 0 HA ASP A 13 -0.553 -9.186 -6.668 1.00 10.00 H new ATOM 0 HB2 ASP A 13 -0.451 -11.656 -6.356 1.00 10.00 H new ATOM 0 HB3 ASP A 13 -1.717 -11.577 -5.147 1.00 10.00 H new ATOM 153 N HIS A 14 -2.502 -8.641 -4.157 1.00 10.00 N ATOM 154 CA HIS A 14 -3.393 -7.631 -3.628 1.00 10.00 C ATOM 155 C HIS A 14 -2.647 -6.900 -2.520 1.00 10.00 C ATOM 156 O HIS A 14 -1.729 -7.454 -1.912 1.00 10.00 O ATOM 157 CB HIS A 14 -4.683 -8.275 -3.085 1.00 10.00 C ATOM 158 CG HIS A 14 -4.435 -9.275 -1.982 1.00 10.00 C ATOM 159 ND1 HIS A 14 -4.483 -10.648 -2.093 1.00 10.00 N ATOM 160 CD2 HIS A 14 -4.104 -8.975 -0.689 1.00 10.00 C ATOM 161 CE1 HIS A 14 -4.183 -11.147 -0.880 1.00 10.00 C ATOM 162 NE2 HIS A 14 -3.887 -10.171 -0.017 1.00 10.00 N ATOM 0 H HIS A 14 -2.061 -9.200 -3.426 1.00 10.00 H new ATOM 0 HA HIS A 14 -3.687 -6.933 -4.412 1.00 10.00 H new ATOM 0 HB2 HIS A 14 -5.343 -7.491 -2.713 1.00 10.00 H new ATOM 0 HB3 HIS A 14 -5.206 -8.770 -3.903 1.00 10.00 H new ATOM 0 HD2 HIS A 14 -4.025 -7.984 -0.266 1.00 10.00 H new ATOM 0 HE1 HIS A 14 -4.182 -12.199 -0.636 1.00 10.00 H new ATOM 0 HE2 HIS A 14 -3.565 -10.282 0.945 1.00 10.00 H new ATOM 170 N LEU A 15 -3.120 -5.701 -2.194 1.00 10.00 N ATOM 171 CA LEU A 15 -2.865 -5.040 -0.933 1.00 10.00 C ATOM 172 C LEU A 15 -4.243 -4.657 -0.420 1.00 10.00 C ATOM 173 O LEU A 15 -5.036 -4.096 -1.178 1.00 10.00 O ATOM 174 CB LEU A 15 -1.954 -3.827 -1.159 1.00 10.00 C ATOM 175 CG LEU A 15 -0.462 -4.178 -1.227 1.00 10.00 C ATOM 176 CD1 LEU A 15 0.322 -3.018 -1.848 1.00 10.00 C ATOM 177 CD2 LEU A 15 0.141 -4.515 0.137 1.00 10.00 C ATOM 0 H LEU A 15 -3.707 -5.153 -2.823 1.00 10.00 H new ATOM 0 HA LEU A 15 -2.344 -5.664 -0.207 1.00 10.00 H new ATOM 0 HB2 LEU A 15 -2.244 -3.334 -2.087 1.00 10.00 H new ATOM 0 HB3 LEU A 15 -2.113 -3.110 -0.354 1.00 10.00 H new ATOM 0 HG LEU A 15 -0.385 -5.071 -1.847 1.00 10.00 H new ATOM 0 HD11 LEU A 15 1.380 -3.276 -1.892 1.00 10.00 H new ATOM 0 HD12 LEU A 15 -0.047 -2.827 -2.856 1.00 10.00 H new ATOM 0 HD13 LEU A 15 0.192 -2.124 -1.239 1.00 10.00 H new ATOM 0 HD21 LEU A 15 1.198 -4.754 0.019 1.00 10.00 H new ATOM 0 HD22 LEU A 15 0.035 -3.659 0.803 1.00 10.00 H new ATOM 0 HD23 LEU A 15 -0.379 -5.373 0.563 1.00 10.00 H new ATOM 189 N TRP A 16 -4.532 -4.985 0.838 1.00 10.00 N ATOM 190 CA TRP A 16 -5.806 -4.783 1.496 1.00 10.00 C ATOM 191 C TRP A 16 -5.520 -3.779 2.593 1.00 10.00 C ATOM 192 O TRP A 16 -4.681 -4.081 3.445 1.00 10.00 O ATOM 193 CB TRP A 16 -6.279 -6.100 2.143 1.00 10.00 C ATOM 194 CG TRP A 16 -6.784 -7.173 1.235 1.00 10.00 C ATOM 195 CD1 TRP A 16 -7.563 -6.962 0.155 1.00 10.00 C ATOM 196 CD2 TRP A 16 -6.639 -8.624 1.343 1.00 10.00 C ATOM 197 NE1 TRP A 16 -7.863 -8.163 -0.448 1.00 10.00 N ATOM 198 CE2 TRP A 16 -7.340 -9.224 0.257 1.00 10.00 C ATOM 199 CE3 TRP A 16 -5.967 -9.500 2.223 1.00 10.00 C ATOM 200 CZ2 TRP A 16 -7.378 -10.610 0.062 1.00 10.00 C ATOM 201 CZ3 TRP A 16 -6.013 -10.898 2.049 1.00 10.00 C ATOM 202 CH2 TRP A 16 -6.736 -11.457 0.980 1.00 10.00 C ATOM 0 H TRP A 16 -3.843 -5.421 1.451 1.00 10.00 H new ATOM 0 HA TRP A 16 -6.575 -4.449 0.800 1.00 10.00 H new ATOM 0 HB2 TRP A 16 -5.448 -6.509 2.718 1.00 10.00 H new ATOM 0 HB3 TRP A 16 -7.071 -5.860 2.853 1.00 10.00 H new ATOM 0 HD1 TRP A 16 -7.901 -5.995 -0.186 1.00 10.00 H new ATOM 0 HE1 TRP A 16 -8.404 -8.255 -1.308 1.00 10.00 H new ATOM 0 HE3 TRP A 16 -5.405 -9.089 3.049 1.00 10.00 H new ATOM 0 HZ2 TRP A 16 -7.898 -11.025 -0.789 1.00 10.00 H new ATOM 0 HZ3 TRP A 16 -5.491 -11.543 2.740 1.00 10.00 H new ATOM 0 HH2 TRP A 16 -6.797 -12.529 0.866 1.00 10.00 H new ATOM 213 N VAL A 17 -6.139 -2.596 2.578 1.00 10.00 N ATOM 214 CA VAL A 17 -5.970 -1.686 3.694 1.00 10.00 C ATOM 215 C VAL A 17 -6.672 -2.308 4.895 1.00 10.00 C ATOM 216 O VAL A 17 -7.756 -2.889 4.782 1.00 10.00 O ATOM 217 CB VAL A 17 -6.377 -0.237 3.344 1.00 10.00 C ATOM 218 CG1 VAL A 17 -7.850 0.086 3.590 1.00 10.00 C ATOM 219 CG2 VAL A 17 -5.504 0.759 4.120 1.00 10.00 C ATOM 0 H VAL A 17 -6.742 -2.260 1.827 1.00 10.00 H new ATOM 0 HA VAL A 17 -4.919 -1.563 3.954 1.00 10.00 H new ATOM 0 HB VAL A 17 -6.218 -0.144 2.270 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -8.046 1.123 3.317 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -8.473 -0.572 2.984 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -8.084 -0.062 4.644 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -5.799 1.777 3.866 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -5.634 0.600 5.190 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -4.457 0.608 3.856 1.00 10.00 H new ATOM 229 N HIS A 18 -5.998 -2.230 6.035 1.00 10.00 N ATOM 230 CA HIS A 18 -6.365 -2.894 7.269 1.00 10.00 C ATOM 231 C HIS A 18 -6.182 -1.967 8.470 1.00 10.00 C ATOM 232 O HIS A 18 -6.942 -2.051 9.438 1.00 10.00 O ATOM 233 CB HIS A 18 -5.520 -4.172 7.367 1.00 10.00 C ATOM 234 CG HIS A 18 -5.562 -4.833 8.716 1.00 10.00 C ATOM 235 ND1 HIS A 18 -6.541 -5.672 9.197 1.00 10.00 N ATOM 236 CD2 HIS A 18 -4.625 -4.670 9.695 1.00 10.00 C ATOM 237 CE1 HIS A 18 -6.176 -6.031 10.439 1.00 10.00 C ATOM 238 NE2 HIS A 18 -5.036 -5.420 10.800 1.00 10.00 N ATOM 0 H HIS A 18 -5.145 -1.678 6.124 1.00 10.00 H new ATOM 0 HA HIS A 18 -7.422 -3.160 7.271 1.00 10.00 H new ATOM 0 HB2 HIS A 18 -5.866 -4.882 6.616 1.00 10.00 H new ATOM 0 HB3 HIS A 18 -4.485 -3.930 7.125 1.00 10.00 H new ATOM 0 HD1 HIS A 18 -7.384 -5.966 8.704 1.00 10.00 H new ATOM 0 HD2 HIS A 18 -3.729 -4.071 9.628 1.00 10.00 H new ATOM 0 HE1 HIS A 18 -6.726 -6.719 11.064 1.00 10.00 H new ATOM 246 N GLN A 19 -5.198 -1.068 8.400 1.00 10.00 N ATOM 247 CA GLN A 19 -4.840 -0.156 9.472 1.00 10.00 C ATOM 248 C GLN A 19 -4.535 1.216 8.885 1.00 10.00 C ATOM 249 O GLN A 19 -4.508 1.384 7.668 1.00 10.00 O ATOM 250 CB GLN A 19 -3.680 -0.755 10.283 1.00 10.00 C ATOM 251 CG GLN A 19 -4.193 -1.653 11.409 1.00 10.00 C ATOM 252 CD GLN A 19 -3.065 -2.411 12.102 1.00 10.00 C ATOM 253 OE1 GLN A 19 -2.059 -2.770 11.497 1.00 10.00 O ATOM 254 NE2 GLN A 19 -3.236 -2.678 13.384 1.00 10.00 N ATOM 0 H GLN A 19 -4.616 -0.957 7.570 1.00 10.00 H new ATOM 0 HA GLN A 19 -5.668 -0.019 10.168 1.00 10.00 H new ATOM 0 HB2 GLN A 19 -3.032 -1.331 9.623 1.00 10.00 H new ATOM 0 HB3 GLN A 19 -3.075 0.048 10.703 1.00 10.00 H new ATOM 0 HG2 GLN A 19 -4.724 -1.046 12.142 1.00 10.00 H new ATOM 0 HG3 GLN A 19 -4.912 -2.365 11.004 1.00 10.00 H new ATOM 0 HE21 GLN A 19 -4.082 -2.367 13.861 1.00 10.00 H new ATOM 0 HE22 GLN A 19 -2.522 -3.195 13.897 1.00 10.00 H new ATOM 263 N GLU A 20 -4.376 2.210 9.758 1.00 10.00 N ATOM 264 CA GLU A 20 -4.307 3.623 9.397 1.00 10.00 C ATOM 265 C GLU A 20 -3.077 3.911 8.523 1.00 10.00 C ATOM 266 O GLU A 20 -1.961 4.009 9.025 1.00 10.00 O ATOM 267 CB GLU A 20 -4.372 4.506 10.656 1.00 10.00 C ATOM 268 CG GLU A 20 -5.598 4.234 11.552 1.00 10.00 C ATOM 269 CD GLU A 20 -6.943 4.444 10.845 1.00 10.00 C ATOM 270 OE1 GLU A 20 -7.347 3.527 10.091 1.00 10.00 O ATOM 271 OE2 GLU A 20 -7.549 5.513 11.078 1.00 10.00 O ATOM 0 H GLU A 20 -4.290 2.049 10.762 1.00 10.00 H new ATOM 0 HA GLU A 20 -5.177 3.876 8.790 1.00 10.00 H new ATOM 0 HB2 GLU A 20 -3.466 4.352 11.242 1.00 10.00 H new ATOM 0 HB3 GLU A 20 -4.382 5.553 10.353 1.00 10.00 H new ATOM 0 HG2 GLU A 20 -5.548 3.209 11.919 1.00 10.00 H new ATOM 0 HG3 GLU A 20 -5.551 4.887 12.424 1.00 10.00 H new ATOM 278 N GLY A 21 -3.290 4.003 7.204 1.00 10.00 N ATOM 279 CA GLY A 21 -2.258 4.130 6.189 1.00 10.00 C ATOM 280 C GLY A 21 -1.485 2.827 5.987 1.00 10.00 C ATOM 281 O GLY A 21 -0.366 2.853 5.483 1.00 10.00 O ATOM 0 H GLY A 21 -4.229 3.990 6.807 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -2.714 4.430 5.245 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -1.565 4.921 6.475 1.00 10.00 H new ATOM 285 N ILE A 22 -2.052 1.688 6.396 1.00 10.00 N ATOM 286 CA ILE A 22 -1.377 0.403 6.469 1.00 10.00 C ATOM 287 C ILE A 22 -2.230 -0.647 5.749 1.00 10.00 C ATOM 288 O ILE A 22 -3.374 -0.948 6.117 1.00 10.00 O ATOM 289 CB ILE A 22 -1.084 0.032 7.938 1.00 10.00 C ATOM 290 CG1 ILE A 22 -0.036 0.957 8.593 1.00 10.00 C ATOM 291 CG2 ILE A 22 -0.619 -1.433 8.091 1.00 10.00 C ATOM 292 CD1 ILE A 22 -0.252 1.111 10.103 1.00 10.00 C ATOM 0 H ILE A 22 -3.026 1.641 6.694 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.411 0.451 5.967 1.00 10.00 H new ATOM 0 HB ILE A 22 -2.035 0.163 8.454 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.961 0.557 8.411 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.077 1.939 8.121 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -0.425 -1.645 9.142 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.397 -2.102 7.723 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.294 -1.587 7.516 1.00 10.00 H new ATOM 0 HD11 ILE A 22 0.512 1.771 10.514 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -1.238 1.537 10.288 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -0.183 0.134 10.582 1.00 10.00 H new ATOM 304 N TYR A 23 -1.620 -1.213 4.715 1.00 10.00 N ATOM 305 CA TYR A 23 -2.075 -2.326 3.919 1.00 10.00 C ATOM 306 C TYR A 23 -1.497 -3.615 4.494 1.00 10.00 C ATOM 307 O TYR A 23 -0.565 -3.599 5.299 1.00 10.00 O ATOM 308 CB TYR A 23 -1.691 -2.077 2.443 1.00 10.00 C ATOM 309 CG TYR A 23 -2.433 -0.898 1.838 1.00 10.00 C ATOM 310 CD1 TYR A 23 -2.048 0.414 2.175 1.00 10.00 C ATOM 311 CD2 TYR A 23 -3.551 -1.104 1.006 1.00 10.00 C ATOM 312 CE1 TYR A 23 -2.807 1.509 1.735 1.00 10.00 C ATOM 313 CE2 TYR A 23 -4.296 -0.011 0.533 1.00 10.00 C ATOM 314 CZ TYR A 23 -3.941 1.300 0.928 1.00 10.00 C ATOM 315 OH TYR A 23 -4.710 2.366 0.594 1.00 10.00 O ATOM 0 H TYR A 23 -0.716 -0.868 4.391 1.00 10.00 H new ATOM 0 HA TYR A 23 -3.160 -2.427 3.949 1.00 10.00 H new ATOM 0 HB2 TYR A 23 -0.618 -1.900 2.376 1.00 10.00 H new ATOM 0 HB3 TYR A 23 -1.903 -2.973 1.860 1.00 10.00 H new ATOM 0 HD1 TYR A 23 -1.165 0.578 2.775 1.00 10.00 H new ATOM 0 HD2 TYR A 23 -3.837 -2.108 0.730 1.00 10.00 H new ATOM 0 HE1 TYR A 23 -2.521 2.512 2.016 1.00 10.00 H new ATOM 0 HE2 TYR A 23 -5.135 -0.171 -0.128 1.00 10.00 H new ATOM 0 HH TYR A 23 -5.474 2.064 0.060 1.00 10.00 H new ATOM 325 N ARG A 24 -2.045 -4.743 4.057 1.00 10.00 N ATOM 326 CA ARG A 24 -1.534 -6.071 4.331 1.00 10.00 C ATOM 327 C ARG A 24 -1.366 -6.819 3.009 1.00 10.00 C ATOM 328 O ARG A 24 -2.147 -6.629 2.074 1.00 10.00 O ATOM 329 CB ARG A 24 -2.468 -6.808 5.298 1.00 10.00 C ATOM 330 CG ARG A 24 -1.692 -7.871 6.095 1.00 10.00 C ATOM 331 CD ARG A 24 -2.601 -9.016 6.539 1.00 10.00 C ATOM 332 NE ARG A 24 -2.916 -9.853 5.374 1.00 10.00 N ATOM 333 CZ ARG A 24 -3.284 -11.135 5.376 1.00 10.00 C ATOM 334 NH1 ARG A 24 -3.637 -11.757 6.498 1.00 10.00 N ATOM 335 NH2 ARG A 24 -3.231 -11.795 4.223 1.00 10.00 N ATOM 0 H ARG A 24 -2.887 -4.753 3.482 1.00 10.00 H new ATOM 0 HA ARG A 24 -0.559 -6.010 4.815 1.00 10.00 H new ATOM 0 HB2 ARG A 24 -2.927 -6.095 5.983 1.00 10.00 H new ATOM 0 HB3 ARG A 24 -3.277 -7.281 4.741 1.00 10.00 H new ATOM 0 HG2 ARG A 24 -0.881 -8.266 5.483 1.00 10.00 H new ATOM 0 HG3 ARG A 24 -1.235 -7.409 6.970 1.00 10.00 H new ATOM 0 HD2 ARG A 24 -2.109 -9.611 7.309 1.00 10.00 H new ATOM 0 HD3 ARG A 24 -3.517 -8.621 6.978 1.00 10.00 H new ATOM 0 HE ARG A 24 -2.845 -9.404 4.461 1.00 10.00 H new ATOM 0 HH11 ARG A 24 -3.630 -11.253 7.385 1.00 10.00 H new ATOM 0 HH12 ARG A 24 -3.914 -12.738 6.472 1.00 10.00 H new ATOM 0 HH21 ARG A 24 -2.917 -11.319 3.377 1.00 10.00 H new ATOM 0 HH22 ARG A 24 -3.504 -12.777 4.184 1.00 10.00 H new ATOM 349 N ASP A 25 -0.329 -7.653 2.956 1.00 10.00 N ATOM 350 CA ASP A 25 0.068 -8.525 1.865 1.00 10.00 C ATOM 351 C ASP A 25 -0.803 -9.789 1.862 1.00 10.00 C ATOM 352 O ASP A 25 -1.417 -10.153 2.867 1.00 10.00 O ATOM 353 CB ASP A 25 1.540 -8.909 2.137 1.00 10.00 C ATOM 354 CG ASP A 25 2.347 -9.264 0.896 1.00 10.00 C ATOM 355 OD1 ASP A 25 1.844 -10.064 0.083 1.00 10.00 O ATOM 356 OD2 ASP A 25 3.458 -8.708 0.771 1.00 10.00 O ATOM 0 H ASP A 25 0.308 -7.739 3.748 1.00 10.00 H new ATOM 0 HA ASP A 25 -0.049 -8.033 0.899 1.00 10.00 H new ATOM 0 HB2 ASP A 25 2.029 -8.079 2.646 1.00 10.00 H new ATOM 0 HB3 ASP A 25 1.559 -9.758 2.821 1.00 10.00 H new ATOM 361 N GLU A 26 -0.730 -10.544 0.769 1.00 10.00 N ATOM 362 CA GLU A 26 -1.141 -11.942 0.693 1.00 10.00 C ATOM 363 C GLU A 26 -0.250 -12.829 1.549 1.00 10.00 C ATOM 364 O GLU A 26 -0.699 -13.851 2.059 1.00 10.00 O ATOM 365 CB GLU A 26 -1.177 -12.418 -0.775 1.00 10.00 C ATOM 366 CG GLU A 26 0.186 -12.829 -1.355 1.00 10.00 C ATOM 367 CD GLU A 26 0.109 -13.053 -2.862 1.00 10.00 C ATOM 368 OE1 GLU A 26 -0.384 -14.129 -3.262 1.00 10.00 O ATOM 369 OE2 GLU A 26 0.518 -12.123 -3.592 1.00 10.00 O ATOM 0 H GLU A 26 -0.371 -10.187 -0.117 1.00 10.00 H new ATOM 0 HA GLU A 26 -2.151 -12.022 1.095 1.00 10.00 H new ATOM 0 HB2 GLU A 26 -1.858 -13.266 -0.850 1.00 10.00 H new ATOM 0 HB3 GLU A 26 -1.592 -11.620 -1.391 1.00 10.00 H new ATOM 0 HG2 GLU A 26 0.923 -12.055 -1.139 1.00 10.00 H new ATOM 0 HG3 GLU A 26 0.529 -13.742 -0.868 1.00 10.00 H new ATOM 376 N TYR A 27 0.997 -12.397 1.753 1.00 10.00 N ATOM 377 CA TYR A 27 1.972 -13.084 2.564 1.00 10.00 C ATOM 378 C TYR A 27 1.769 -12.787 4.058 1.00 10.00 C ATOM 379 O TYR A 27 2.554 -13.229 4.893 1.00 10.00 O ATOM 380 CB TYR A 27 3.400 -12.724 2.108 1.00 10.00 C ATOM 381 CG TYR A 27 3.700 -12.808 0.614 1.00 10.00 C ATOM 382 CD1 TYR A 27 3.316 -13.934 -0.143 1.00 10.00 C ATOM 383 CD2 TYR A 27 4.394 -11.758 -0.023 1.00 10.00 C ATOM 384 CE1 TYR A 27 3.599 -13.994 -1.521 1.00 10.00 C ATOM 385 CE2 TYR A 27 4.682 -11.810 -1.398 1.00 10.00 C ATOM 386 CZ TYR A 27 4.283 -12.931 -2.157 1.00 10.00 C ATOM 387 OH TYR A 27 4.559 -12.999 -3.489 1.00 10.00 O ATOM 0 H TYR A 27 1.354 -11.535 1.342 1.00 10.00 H new ATOM 0 HA TYR A 27 1.832 -14.156 2.428 1.00 10.00 H new ATOM 0 HB2 TYR A 27 3.613 -11.707 2.438 1.00 10.00 H new ATOM 0 HB3 TYR A 27 4.096 -13.381 2.629 1.00 10.00 H new ATOM 0 HD1 TYR A 27 2.802 -14.754 0.336 1.00 10.00 H new ATOM 0 HD2 TYR A 27 4.709 -10.901 0.554 1.00 10.00 H new ATOM 0 HE1 TYR A 27 3.292 -14.856 -2.095 1.00 10.00 H new ATOM 0 HE2 TYR A 27 5.207 -10.994 -1.872 1.00 10.00 H new ATOM 0 HH TYR A 27 5.256 -12.348 -3.712 1.00 10.00 H new ATOM 397 N GLN A 28 0.710 -12.034 4.379 1.00 10.00 N ATOM 398 CA GLN A 28 0.217 -11.736 5.726 1.00 10.00 C ATOM 399 C GLN A 28 1.145 -10.808 6.521 1.00 10.00 C ATOM 400 O GLN A 28 1.175 -10.835 7.751 1.00 10.00 O ATOM 401 CB GLN A 28 -0.181 -13.014 6.498 1.00 10.00 C ATOM 402 CG GLN A 28 -0.945 -14.056 5.660 1.00 10.00 C ATOM 403 CD GLN A 28 -1.981 -14.809 6.490 1.00 10.00 C ATOM 404 OE1 GLN A 28 -3.157 -14.455 6.501 1.00 10.00 O ATOM 405 NE2 GLN A 28 -1.572 -15.846 7.210 1.00 10.00 N ATOM 0 H GLN A 28 0.140 -11.590 3.659 1.00 10.00 H new ATOM 0 HA GLN A 28 -0.702 -11.164 5.594 1.00 10.00 H new ATOM 0 HB2 GLN A 28 0.721 -13.478 6.896 1.00 10.00 H new ATOM 0 HB3 GLN A 28 -0.797 -12.730 7.351 1.00 10.00 H new ATOM 0 HG2 GLN A 28 -1.441 -13.558 4.827 1.00 10.00 H new ATOM 0 HG3 GLN A 28 -0.238 -14.766 5.232 1.00 10.00 H new ATOM 0 HE21 GLN A 28 -0.592 -16.126 7.189 1.00 10.00 H new ATOM 0 HE22 GLN A 28 -2.238 -16.363 7.784 1.00 10.00 H new ATOM 414 N ARG A 29 1.886 -9.957 5.807 1.00 10.00 N ATOM 415 CA ARG A 29 2.801 -8.965 6.339 1.00 10.00 C ATOM 416 C ARG A 29 2.273 -7.572 6.001 1.00 10.00 C ATOM 417 O ARG A 29 1.582 -7.390 4.996 1.00 10.00 O ATOM 418 CB ARG A 29 4.204 -9.213 5.761 1.00 10.00 C ATOM 419 CG ARG A 29 4.854 -10.489 6.316 1.00 10.00 C ATOM 420 CD ARG A 29 6.283 -10.679 5.790 1.00 10.00 C ATOM 421 NE ARG A 29 6.299 -11.126 4.387 1.00 10.00 N ATOM 422 CZ ARG A 29 6.783 -10.459 3.329 1.00 10.00 C ATOM 423 NH1 ARG A 29 7.314 -9.243 3.418 1.00 10.00 N ATOM 424 NH2 ARG A 29 6.756 -10.996 2.112 1.00 10.00 N ATOM 0 H ARG A 29 1.856 -9.948 4.787 1.00 10.00 H new ATOM 0 HA ARG A 29 2.873 -9.040 7.424 1.00 10.00 H new ATOM 0 HB2 ARG A 29 4.138 -9.286 4.675 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.842 -8.358 5.985 1.00 10.00 H new ATOM 0 HG2 ARG A 29 4.871 -10.444 7.405 1.00 10.00 H new ATOM 0 HG3 ARG A 29 4.249 -11.353 6.043 1.00 10.00 H new ATOM 0 HD2 ARG A 29 6.830 -9.740 5.878 1.00 10.00 H new ATOM 0 HD3 ARG A 29 6.803 -11.410 6.409 1.00 10.00 H new ATOM 0 HE ARG A 29 5.898 -12.045 4.199 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.367 -8.775 4.323 1.00 10.00 H new ATOM 0 HH12 ARG A 29 7.668 -8.779 2.582 1.00 10.00 H new ATOM 0 HH21 ARG A 29 6.363 -11.927 1.974 1.00 10.00 H new ATOM 0 HH22 ARG A 29 7.128 -10.476 1.317 1.00 10.00 H new ATOM 438 N THR A 30 2.580 -6.595 6.849 1.00 10.00 N ATOM 439 CA THR A 30 2.003 -5.255 6.814 1.00 10.00 C ATOM 440 C THR A 30 2.834 -4.297 5.961 1.00 10.00 C ATOM 441 O THR A 30 4.061 -4.378 5.931 1.00 10.00 O ATOM 442 CB THR A 30 1.875 -4.740 8.256 1.00 10.00 C ATOM 443 OG1 THR A 30 3.046 -5.046 9.000 1.00 10.00 O ATOM 444 CG2 THR A 30 0.666 -5.397 8.932 1.00 10.00 C ATOM 0 H THR A 30 3.257 -6.717 7.602 1.00 10.00 H new ATOM 0 HA THR A 30 1.019 -5.305 6.349 1.00 10.00 H new ATOM 0 HB THR A 30 1.744 -3.658 8.227 1.00 10.00 H new ATOM 0 HG1 THR A 30 3.757 -4.413 8.767 1.00 10.00 H new ATOM 0 HG21 THR A 30 0.577 -5.030 9.955 1.00 10.00 H new ATOM 0 HG22 THR A 30 -0.240 -5.150 8.378 1.00 10.00 H new ATOM 0 HG23 THR A 30 0.800 -6.479 8.945 1.00 10.00 H new ATOM 452 N TRP A 31 2.159 -3.364 5.297 1.00 10.00 N ATOM 453 CA TRP A 31 2.673 -2.475 4.277 1.00 10.00 C ATOM 454 C TRP A 31 2.209 -1.058 4.584 1.00 10.00 C ATOM 455 O TRP A 31 1.037 -0.733 4.434 1.00 10.00 O ATOM 456 CB TRP A 31 2.150 -2.923 2.916 1.00 10.00 C ATOM 457 CG TRP A 31 2.886 -3.999 2.188 1.00 10.00 C ATOM 458 CD1 TRP A 31 2.645 -5.325 2.276 1.00 10.00 C ATOM 459 CD2 TRP A 31 3.899 -3.844 1.151 1.00 10.00 C ATOM 460 NE1 TRP A 31 3.397 -5.986 1.322 1.00 10.00 N ATOM 461 CE2 TRP A 31 4.183 -5.123 0.600 1.00 10.00 C ATOM 462 CE3 TRP A 31 4.590 -2.750 0.596 1.00 10.00 C ATOM 463 CZ2 TRP A 31 5.078 -5.305 -0.461 1.00 10.00 C ATOM 464 CZ3 TRP A 31 5.504 -2.919 -0.460 1.00 10.00 C ATOM 465 CH2 TRP A 31 5.740 -4.191 -1.000 1.00 10.00 C ATOM 0 H TRP A 31 1.168 -3.203 5.475 1.00 10.00 H new ATOM 0 HA TRP A 31 3.763 -2.500 4.262 1.00 10.00 H new ATOM 0 HB2 TRP A 31 1.121 -3.258 3.050 1.00 10.00 H new ATOM 0 HB3 TRP A 31 2.118 -2.047 2.268 1.00 10.00 H new ATOM 0 HD1 TRP A 31 1.973 -5.794 2.979 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.371 -6.995 1.173 1.00 10.00 H new ATOM 0 HE3 TRP A 31 4.415 -1.760 0.989 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 5.257 -6.292 -0.861 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 6.028 -2.062 -0.858 1.00 10.00 H new ATOM 0 HH2 TRP A 31 6.426 -4.313 -1.825 1.00 10.00 H new ATOM 476 N VAL A 32 3.126 -0.208 5.019 1.00 10.00 N ATOM 477 CA VAL A 32 2.888 1.180 5.350 1.00 10.00 C ATOM 478 C VAL A 32 2.852 1.944 4.030 1.00 10.00 C ATOM 479 O VAL A 32 3.853 1.975 3.314 1.00 10.00 O ATOM 480 CB VAL A 32 4.020 1.633 6.296 1.00 10.00 C ATOM 481 CG1 VAL A 32 4.192 3.159 6.371 1.00 10.00 C ATOM 482 CG2 VAL A 32 3.733 1.117 7.716 1.00 10.00 C ATOM 0 H VAL A 32 4.099 -0.484 5.156 1.00 10.00 H new ATOM 0 HA VAL A 32 1.946 1.358 5.868 1.00 10.00 H new ATOM 0 HB VAL A 32 4.941 1.219 5.887 1.00 10.00 H new ATOM 0 HG11 VAL A 32 5.006 3.400 7.055 1.00 10.00 H new ATOM 0 HG12 VAL A 32 4.424 3.548 5.380 1.00 10.00 H new ATOM 0 HG13 VAL A 32 3.269 3.612 6.732 1.00 10.00 H new ATOM 0 HG21 VAL A 32 4.531 1.435 8.387 1.00 10.00 H new ATOM 0 HG22 VAL A 32 2.783 1.521 8.065 1.00 10.00 H new ATOM 0 HG23 VAL A 32 3.682 0.028 7.704 1.00 10.00 H new ATOM 492 N ALA A 33 1.699 2.520 3.685 1.00 10.00 N ATOM 493 CA ALA A 33 1.552 3.394 2.537 1.00 10.00 C ATOM 494 C ALA A 33 1.740 4.854 2.961 1.00 10.00 C ATOM 495 O ALA A 33 1.030 5.353 3.834 1.00 10.00 O ATOM 496 CB ALA A 33 0.179 3.200 1.884 1.00 10.00 C ATOM 0 H ALA A 33 0.833 2.386 4.208 1.00 10.00 H new ATOM 0 HA ALA A 33 2.318 3.139 1.805 1.00 10.00 H new ATOM 0 HB1 ALA A 33 0.088 3.864 1.025 1.00 10.00 H new ATOM 0 HB2 ALA A 33 0.075 2.166 1.556 1.00 10.00 H new ATOM 0 HB3 ALA A 33 -0.604 3.432 2.607 1.00 10.00 H new ATOM 502 N VAL A 34 2.652 5.553 2.288 1.00 10.00 N ATOM 503 CA VAL A 34 2.763 7.008 2.266 1.00 10.00 C ATOM 504 C VAL A 34 2.608 7.481 0.824 1.00 10.00 C ATOM 505 O VAL A 34 2.537 6.663 -0.092 1.00 10.00 O ATOM 506 CB VAL A 34 4.065 7.484 2.942 1.00 10.00 C ATOM 507 CG1 VAL A 34 4.055 7.155 4.443 1.00 10.00 C ATOM 508 CG2 VAL A 34 5.347 6.937 2.303 1.00 10.00 C ATOM 0 H VAL A 34 3.365 5.099 1.718 1.00 10.00 H new ATOM 0 HA VAL A 34 1.965 7.461 2.855 1.00 10.00 H new ATOM 0 HB VAL A 34 4.083 8.564 2.793 1.00 10.00 H new ATOM 0 HG11 VAL A 34 4.984 7.500 4.897 1.00 10.00 H new ATOM 0 HG12 VAL A 34 3.211 7.653 4.919 1.00 10.00 H new ATOM 0 HG13 VAL A 34 3.964 6.077 4.579 1.00 10.00 H new ATOM 0 HG21 VAL A 34 6.214 7.322 2.840 1.00 10.00 H new ATOM 0 HG22 VAL A 34 5.343 5.848 2.353 1.00 10.00 H new ATOM 0 HG23 VAL A 34 5.397 7.252 1.261 1.00 10.00 H new ATOM 518 N VAL A 35 2.516 8.795 0.613 1.00 10.00 N ATOM 519 CA VAL A 35 2.241 9.386 -0.686 1.00 10.00 C ATOM 520 C VAL A 35 3.200 10.542 -0.988 1.00 10.00 C ATOM 521 O VAL A 35 3.650 11.246 -0.084 1.00 10.00 O ATOM 522 CB VAL A 35 0.744 9.770 -0.737 1.00 10.00 C ATOM 523 CG1 VAL A 35 0.413 11.079 -0.005 1.00 10.00 C ATOM 524 CG2 VAL A 35 0.198 9.821 -2.171 1.00 10.00 C ATOM 0 H VAL A 35 2.633 9.485 1.355 1.00 10.00 H new ATOM 0 HA VAL A 35 2.425 8.668 -1.485 1.00 10.00 H new ATOM 0 HB VAL A 35 0.242 8.965 -0.201 1.00 10.00 H new ATOM 0 HG11 VAL A 35 -0.655 11.281 -0.085 1.00 10.00 H new ATOM 0 HG12 VAL A 35 0.687 10.987 1.046 1.00 10.00 H new ATOM 0 HG13 VAL A 35 0.972 11.899 -0.456 1.00 10.00 H new ATOM 0 HG21 VAL A 35 -0.857 10.095 -2.149 1.00 10.00 H new ATOM 0 HG22 VAL A 35 0.754 10.562 -2.746 1.00 10.00 H new ATOM 0 HG23 VAL A 35 0.309 8.842 -2.638 1.00 10.00 H new ATOM 534 N GLU A 36 3.466 10.751 -2.276 1.00 10.00 N ATOM 535 CA GLU A 36 3.957 11.982 -2.870 1.00 10.00 C ATOM 536 C GLU A 36 3.221 12.216 -4.191 1.00 10.00 C ATOM 537 O GLU A 36 2.436 11.383 -4.638 1.00 10.00 O ATOM 538 CB GLU A 36 5.494 11.985 -2.990 1.00 10.00 C ATOM 539 CG GLU A 36 6.114 10.876 -3.859 1.00 10.00 C ATOM 540 CD GLU A 36 6.412 9.581 -3.095 1.00 10.00 C ATOM 541 OE1 GLU A 36 7.289 9.629 -2.198 1.00 10.00 O ATOM 542 OE2 GLU A 36 5.845 8.530 -3.471 1.00 10.00 O ATOM 0 H GLU A 36 3.335 10.016 -2.971 1.00 10.00 H new ATOM 0 HA GLU A 36 3.739 12.829 -2.219 1.00 10.00 H new ATOM 0 HB2 GLU A 36 5.803 12.949 -3.394 1.00 10.00 H new ATOM 0 HB3 GLU A 36 5.915 11.909 -1.988 1.00 10.00 H new ATOM 0 HG2 GLU A 36 5.436 10.652 -4.683 1.00 10.00 H new ATOM 0 HG3 GLU A 36 7.039 11.248 -4.299 1.00 10.00 H new ATOM 549 N GLU A 37 3.428 13.381 -4.798 1.00 10.00 N ATOM 550 CA GLU A 37 2.758 13.803 -6.022 1.00 10.00 C ATOM 551 C GLU A 37 3.786 14.112 -7.110 1.00 10.00 C ATOM 552 O GLU A 37 4.936 14.438 -6.814 1.00 10.00 O ATOM 553 CB GLU A 37 1.847 15.016 -5.751 1.00 10.00 C ATOM 554 CG GLU A 37 0.518 14.672 -5.056 1.00 10.00 C ATOM 555 CD GLU A 37 0.657 14.127 -3.630 1.00 10.00 C ATOM 556 OE1 GLU A 37 1.432 14.724 -2.849 1.00 10.00 O ATOM 557 OE2 GLU A 37 -0.031 13.125 -3.335 1.00 10.00 O ATOM 0 H GLU A 37 4.084 14.076 -4.442 1.00 10.00 H new ATOM 0 HA GLU A 37 2.127 12.987 -6.376 1.00 10.00 H new ATOM 0 HB2 GLU A 37 2.390 15.732 -5.134 1.00 10.00 H new ATOM 0 HB3 GLU A 37 1.630 15.511 -6.698 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -0.103 15.567 -5.028 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -0.011 13.936 -5.661 1.00 10.00 H new ATOM 564 N GLU A 38 3.353 14.039 -8.372 1.00 10.00 N ATOM 565 CA GLU A 38 4.103 14.434 -9.549 1.00 10.00 C ATOM 566 C GLU A 38 3.185 15.221 -10.484 1.00 10.00 C ATOM 567 O GLU A 38 1.976 15.300 -10.279 1.00 10.00 O ATOM 568 CB GLU A 38 4.738 13.229 -10.270 1.00 10.00 C ATOM 569 CG GLU A 38 5.243 12.096 -9.362 1.00 10.00 C ATOM 570 CD GLU A 38 6.121 11.079 -10.101 1.00 10.00 C ATOM 571 OE1 GLU A 38 6.020 11.006 -11.347 1.00 10.00 O ATOM 572 OE2 GLU A 38 6.872 10.358 -9.404 1.00 10.00 O ATOM 0 H GLU A 38 2.425 13.685 -8.602 1.00 10.00 H new ATOM 0 HA GLU A 38 4.932 15.068 -9.234 1.00 10.00 H new ATOM 0 HB2 GLU A 38 4.004 12.815 -10.961 1.00 10.00 H new ATOM 0 HB3 GLU A 38 5.574 13.588 -10.870 1.00 10.00 H new ATOM 0 HG2 GLU A 38 5.811 12.526 -8.537 1.00 10.00 H new ATOM 0 HG3 GLU A 38 4.388 11.580 -8.926 1.00 10.00 H new ATOM 579 N THR A 39 3.771 15.772 -11.544 1.00 10.00 N ATOM 580 CA THR A 39 3.248 16.832 -12.407 1.00 10.00 C ATOM 581 C THR A 39 1.941 16.455 -13.119 1.00 10.00 C ATOM 582 O THR A 39 1.277 17.310 -13.706 1.00 10.00 O ATOM 583 CB THR A 39 4.348 17.209 -13.426 1.00 10.00 C ATOM 584 OG1 THR A 39 5.638 17.003 -12.868 1.00 10.00 O ATOM 585 CG2 THR A 39 4.256 18.671 -13.873 1.00 10.00 C ATOM 0 H THR A 39 4.696 15.466 -11.847 1.00 10.00 H new ATOM 0 HA THR A 39 2.992 17.686 -11.780 1.00 10.00 H new ATOM 0 HB THR A 39 4.192 16.565 -14.291 1.00 10.00 H new ATOM 0 HG1 THR A 39 6.322 17.245 -13.527 1.00 10.00 H new ATOM 0 HG21 THR A 39 5.051 18.884 -14.588 1.00 10.00 H new ATOM 0 HG22 THR A 39 3.288 18.848 -14.343 1.00 10.00 H new ATOM 0 HG23 THR A 39 4.363 19.324 -13.007 1.00 10.00 H new ATOM 593 N SER A 40 1.551 15.180 -13.084 1.00 10.00 N ATOM 594 CA SER A 40 0.197 14.737 -13.431 1.00 10.00 C ATOM 595 C SER A 40 -0.216 13.441 -12.727 1.00 10.00 C ATOM 596 O SER A 40 -1.052 12.689 -13.234 1.00 10.00 O ATOM 597 CB SER A 40 0.046 14.632 -14.958 1.00 10.00 C ATOM 598 OG SER A 40 0.222 15.894 -15.572 1.00 10.00 O ATOM 0 H SER A 40 2.171 14.417 -12.812 1.00 10.00 H new ATOM 0 HA SER A 40 -0.492 15.497 -13.063 1.00 10.00 H new ATOM 0 HB2 SER A 40 0.778 13.927 -15.352 1.00 10.00 H new ATOM 0 HB3 SER A 40 -0.940 14.238 -15.203 1.00 10.00 H new ATOM 0 HG SER A 40 0.266 16.590 -14.883 1.00 10.00 H new ATOM 604 N PHE A 41 0.341 13.171 -11.546 1.00 10.00 N ATOM 605 CA PHE A 41 0.170 11.922 -10.838 1.00 10.00 C ATOM 606 C PHE A 41 0.090 12.143 -9.329 1.00 10.00 C ATOM 607 O PHE A 41 0.631 13.120 -8.807 1.00 10.00 O ATOM 608 CB PHE A 41 1.378 11.039 -11.134 1.00 10.00 C ATOM 609 CG PHE A 41 1.633 10.692 -12.592 1.00 10.00 C ATOM 610 CD1 PHE A 41 0.989 9.588 -13.183 1.00 10.00 C ATOM 611 CD2 PHE A 41 2.547 11.448 -13.352 1.00 10.00 C ATOM 612 CE1 PHE A 41 1.274 9.234 -14.515 1.00 10.00 C ATOM 613 CE2 PHE A 41 2.815 11.107 -14.689 1.00 10.00 C ATOM 614 CZ PHE A 41 2.181 9.996 -15.270 1.00 10.00 C ATOM 0 H PHE A 41 0.936 13.836 -11.052 1.00 10.00 H new ATOM 0 HA PHE A 41 -0.759 11.457 -11.168 1.00 10.00 H new ATOM 0 HB2 PHE A 41 2.266 11.536 -10.743 1.00 10.00 H new ATOM 0 HB3 PHE A 41 1.263 10.108 -10.578 1.00 10.00 H new ATOM 0 HD1 PHE A 41 0.275 9.012 -12.613 1.00 10.00 H new ATOM 0 HD2 PHE A 41 3.045 12.295 -12.904 1.00 10.00 H new ATOM 0 HE1 PHE A 41 0.794 8.374 -14.958 1.00 10.00 H new ATOM 0 HE2 PHE A 41 3.508 11.699 -15.269 1.00 10.00 H new ATOM 0 HZ PHE A 41 2.391 9.728 -16.295 1.00 10.00 H new ATOM 624 N LEU A 42 -0.442 11.140 -8.624 1.00 10.00 N ATOM 625 CA LEU A 42 -0.133 10.910 -7.222 1.00 10.00 C ATOM 626 C LEU A 42 0.437 9.507 -7.082 1.00 10.00 C ATOM 627 O LEU A 42 0.028 8.585 -7.791 1.00 10.00 O ATOM 628 CB LEU A 42 -1.281 11.310 -6.275 1.00 10.00 C ATOM 629 CG LEU A 42 -2.590 10.503 -6.335 1.00 10.00 C ATOM 630 CD1 LEU A 42 -2.513 9.193 -5.541 1.00 10.00 C ATOM 631 CD2 LEU A 42 -3.738 11.336 -5.744 1.00 10.00 C ATOM 0 H LEU A 42 -1.100 10.467 -9.017 1.00 10.00 H new ATOM 0 HA LEU A 42 0.648 11.587 -6.876 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.904 11.256 -5.254 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -1.525 12.354 -6.470 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.761 10.266 -7.385 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -3.463 8.665 -5.618 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -1.717 8.568 -5.946 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -2.304 9.414 -4.494 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -4.664 10.762 -5.788 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.512 11.582 -4.706 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -3.853 12.255 -6.318 1.00 10.00 H new ATOM 643 N ARG A 43 1.444 9.373 -6.222 1.00 10.00 N ATOM 644 CA ARG A 43 2.318 8.226 -6.129 1.00 10.00 C ATOM 645 C ARG A 43 2.313 7.772 -4.682 1.00 10.00 C ATOM 646 O ARG A 43 2.774 8.502 -3.808 1.00 10.00 O ATOM 647 CB ARG A 43 3.725 8.580 -6.628 1.00 10.00 C ATOM 648 CG ARG A 43 4.558 7.309 -6.846 1.00 10.00 C ATOM 649 CD ARG A 43 5.977 7.658 -7.295 1.00 10.00 C ATOM 650 NE ARG A 43 6.814 8.065 -6.158 1.00 10.00 N ATOM 651 CZ ARG A 43 8.027 8.625 -6.239 1.00 10.00 C ATOM 652 NH1 ARG A 43 8.438 9.191 -7.374 1.00 10.00 N ATOM 653 NH2 ARG A 43 8.834 8.618 -5.177 1.00 10.00 N ATOM 0 H ARG A 43 1.676 10.099 -5.544 1.00 10.00 H new ATOM 0 HA ARG A 43 1.971 7.411 -6.764 1.00 10.00 H new ATOM 0 HB2 ARG A 43 3.656 9.140 -7.561 1.00 10.00 H new ATOM 0 HB3 ARG A 43 4.221 9.227 -5.904 1.00 10.00 H new ATOM 0 HG2 ARG A 43 4.596 6.731 -5.922 1.00 10.00 H new ATOM 0 HG3 ARG A 43 4.079 6.680 -7.596 1.00 10.00 H new ATOM 0 HD2 ARG A 43 6.426 6.797 -7.789 1.00 10.00 H new ATOM 0 HD3 ARG A 43 5.940 8.463 -8.029 1.00 10.00 H new ATOM 0 HE ARG A 43 6.437 7.907 -5.224 1.00 10.00 H new ATOM 0 HH11 ARG A 43 7.826 9.200 -8.190 1.00 10.00 H new ATOM 0 HH12 ARG A 43 9.364 9.615 -7.426 1.00 10.00 H new ATOM 0 HH21 ARG A 43 8.526 8.186 -4.305 1.00 10.00 H new ATOM 0 HH22 ARG A 43 9.759 9.044 -5.236 1.00 10.00 H new ATOM 667 N ALA A 44 1.746 6.598 -4.421 1.00 10.00 N ATOM 668 CA ALA A 44 1.859 5.960 -3.134 1.00 10.00 C ATOM 669 C ALA A 44 3.187 5.214 -3.102 1.00 10.00 C ATOM 670 O ALA A 44 3.459 4.400 -3.986 1.00 10.00 O ATOM 671 CB ALA A 44 0.682 5.016 -2.883 1.00 10.00 C ATOM 0 H ALA A 44 1.198 6.071 -5.101 1.00 10.00 H new ATOM 0 HA ALA A 44 1.832 6.705 -2.339 1.00 10.00 H new ATOM 0 HB1 ALA A 44 0.793 4.548 -1.905 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -0.250 5.581 -2.912 1.00 10.00 H new ATOM 0 HB3 ALA A 44 0.663 4.245 -3.654 1.00 10.00 H new ATOM 677 N ARG A 45 4.000 5.470 -2.080 1.00 10.00 N ATOM 678 CA ARG A 45 5.114 4.620 -1.723 1.00 10.00 C ATOM 679 C ARG A 45 4.603 3.706 -0.627 1.00 10.00 C ATOM 680 O ARG A 45 4.336 4.152 0.489 1.00 10.00 O ATOM 681 CB ARG A 45 6.297 5.479 -1.264 1.00 10.00 C ATOM 682 CG ARG A 45 7.531 4.664 -0.827 1.00 10.00 C ATOM 683 CD ARG A 45 8.558 5.542 -0.101 1.00 10.00 C ATOM 684 NE ARG A 45 8.795 6.816 -0.802 1.00 10.00 N ATOM 685 CZ ARG A 45 9.766 7.101 -1.677 1.00 10.00 C ATOM 686 NH1 ARG A 45 10.667 6.185 -2.036 1.00 10.00 N ATOM 687 NH2 ARG A 45 9.820 8.330 -2.192 1.00 10.00 N ATOM 0 H ARG A 45 3.896 6.284 -1.475 1.00 10.00 H new ATOM 0 HA ARG A 45 5.478 4.029 -2.564 1.00 10.00 H new ATOM 0 HB2 ARG A 45 6.584 6.147 -2.076 1.00 10.00 H new ATOM 0 HB3 ARG A 45 5.976 6.107 -0.433 1.00 10.00 H new ATOM 0 HG2 ARG A 45 7.218 3.851 -0.172 1.00 10.00 H new ATOM 0 HG3 ARG A 45 7.995 4.207 -1.701 1.00 10.00 H new ATOM 0 HD2 ARG A 45 8.209 5.746 0.911 1.00 10.00 H new ATOM 0 HD3 ARG A 45 9.499 4.999 -0.010 1.00 10.00 H new ATOM 0 HE ARG A 45 8.141 7.571 -0.596 1.00 10.00 H new ATOM 0 HH11 ARG A 45 10.624 5.245 -1.642 1.00 10.00 H new ATOM 0 HH12 ARG A 45 11.399 6.424 -2.705 1.00 10.00 H new ATOM 0 HH21 ARG A 45 9.130 9.029 -1.917 1.00 10.00 H new ATOM 0 HH22 ARG A 45 10.551 8.571 -2.861 1.00 10.00 H new ATOM 701 N VAL A 46 4.430 2.436 -0.961 1.00 10.00 N ATOM 702 CA VAL A 46 4.063 1.402 -0.024 1.00 10.00 C ATOM 703 C VAL A 46 5.359 0.716 0.401 1.00 10.00 C ATOM 704 O VAL A 46 6.195 0.407 -0.445 1.00 10.00 O ATOM 705 CB VAL A 46 3.024 0.441 -0.643 1.00 10.00 C ATOM 706 CG1 VAL A 46 2.132 -0.099 0.475 1.00 10.00 C ATOM 707 CG2 VAL A 46 2.104 1.053 -1.716 1.00 10.00 C ATOM 0 H VAL A 46 4.545 2.095 -1.915 1.00 10.00 H new ATOM 0 HA VAL A 46 3.570 1.808 0.859 1.00 10.00 H new ATOM 0 HB VAL A 46 3.611 -0.328 -1.146 1.00 10.00 H new ATOM 0 HG11 VAL A 46 1.392 -0.780 0.054 1.00 10.00 H new ATOM 0 HG12 VAL A 46 2.743 -0.633 1.203 1.00 10.00 H new ATOM 0 HG13 VAL A 46 1.623 0.730 0.967 1.00 10.00 H new ATOM 0 HG21 VAL A 46 1.415 0.292 -2.082 1.00 10.00 H new ATOM 0 HG22 VAL A 46 1.537 1.877 -1.282 1.00 10.00 H new ATOM 0 HG23 VAL A 46 2.708 1.424 -2.544 1.00 10.00 H new ATOM 717 N GLN A 47 5.551 0.490 1.701 1.00 10.00 N ATOM 718 CA GLN A 47 6.751 -0.082 2.274 1.00 10.00 C ATOM 719 C GLN A 47 6.389 -1.171 3.281 1.00 10.00 C ATOM 720 O GLN A 47 5.619 -0.917 4.203 1.00 10.00 O ATOM 721 CB GLN A 47 7.529 1.049 2.930 1.00 10.00 C ATOM 722 CG GLN A 47 8.973 0.636 3.172 1.00 10.00 C ATOM 723 CD GLN A 47 9.776 1.743 3.852 1.00 10.00 C ATOM 724 OE1 GLN A 47 9.571 2.040 5.022 1.00 10.00 O ATOM 725 NE2 GLN A 47 10.702 2.383 3.153 1.00 10.00 N ATOM 0 H GLN A 47 4.844 0.711 2.402 1.00 10.00 H new ATOM 0 HA GLN A 47 7.364 -0.552 1.505 1.00 10.00 H new ATOM 0 HB2 GLN A 47 7.500 1.934 2.294 1.00 10.00 H new ATOM 0 HB3 GLN A 47 7.059 1.320 3.876 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.995 -0.261 3.791 1.00 10.00 H new ATOM 0 HG3 GLN A 47 9.441 0.379 2.222 1.00 10.00 H new ATOM 0 HE21 GLN A 47 10.869 2.132 2.179 1.00 10.00 H new ATOM 0 HE22 GLN A 47 11.247 3.126 3.589 1.00 10.00 H new ATOM 734 N GLN A 48 6.911 -2.385 3.112 1.00 10.00 N ATOM 735 CA GLN A 48 6.603 -3.507 3.972 1.00 10.00 C ATOM 736 C GLN A 48 7.456 -3.445 5.223 1.00 10.00 C ATOM 737 O GLN A 48 8.678 -3.568 5.154 1.00 10.00 O ATOM 738 CB GLN A 48 6.764 -4.847 3.248 1.00 10.00 C ATOM 739 CG GLN A 48 6.014 -5.993 3.942 1.00 10.00 C ATOM 740 CD GLN A 48 6.637 -6.495 5.248 1.00 10.00 C ATOM 741 OE1 GLN A 48 7.616 -7.236 5.258 1.00 10.00 O ATOM 742 NE2 GLN A 48 6.049 -6.170 6.387 1.00 10.00 N ATOM 0 H GLN A 48 7.566 -2.611 2.363 1.00 10.00 H new ATOM 0 HA GLN A 48 5.554 -3.437 4.260 1.00 10.00 H new ATOM 0 HB2 GLN A 48 6.400 -4.748 2.225 1.00 10.00 H new ATOM 0 HB3 GLN A 48 7.823 -5.097 3.187 1.00 10.00 H new ATOM 0 HG2 GLN A 48 4.996 -5.664 4.149 1.00 10.00 H new ATOM 0 HG3 GLN A 48 5.944 -6.831 3.248 1.00 10.00 H new ATOM 0 HE21 GLN A 48 5.235 -5.555 6.384 1.00 10.00 H new ATOM 0 HE22 GLN A 48 6.409 -6.535 7.269 1.00 10.00 H new ATOM 751 N ILE A 49 6.773 -3.281 6.352 1.00 10.00 N ATOM 752 CA ILE A 49 7.333 -3.237 7.693 1.00 10.00 C ATOM 753 C ILE A 49 6.292 -3.766 8.686 1.00 10.00 C ATOM 754 O ILE A 49 5.085 -3.547 8.548 1.00 10.00 O ATOM 755 CB ILE A 49 7.858 -1.822 8.063 1.00 10.00 C ATOM 756 CG1 ILE A 49 6.849 -0.683 7.755 1.00 10.00 C ATOM 757 CG2 ILE A 49 9.236 -1.586 7.414 1.00 10.00 C ATOM 758 CD1 ILE A 49 7.469 0.721 7.710 1.00 10.00 C ATOM 0 H ILE A 49 5.759 -3.169 6.353 1.00 10.00 H new ATOM 0 HA ILE A 49 8.210 -3.883 7.737 1.00 10.00 H new ATOM 0 HB ILE A 49 7.976 -1.792 9.146 1.00 10.00 H new ATOM 0 HG12 ILE A 49 6.372 -0.887 6.796 1.00 10.00 H new ATOM 0 HG13 ILE A 49 6.064 -0.696 8.511 1.00 10.00 H new ATOM 0 HG21 ILE A 49 9.597 -0.592 7.678 1.00 10.00 H new ATOM 0 HG22 ILE A 49 9.941 -2.336 7.774 1.00 10.00 H new ATOM 0 HG23 ILE A 49 9.146 -1.663 6.330 1.00 10.00 H new ATOM 0 HD11 ILE A 49 6.693 1.454 7.489 1.00 10.00 H new ATOM 0 HD12 ILE A 49 7.921 0.950 8.675 1.00 10.00 H new ATOM 0 HD13 ILE A 49 8.233 0.756 6.934 1.00 10.00 H new ATOM 770 N GLN A 50 6.783 -4.542 9.651 1.00 10.00 N ATOM 771 CA GLN A 50 6.037 -5.306 10.633 1.00 10.00 C ATOM 772 C GLN A 50 5.422 -4.353 11.659 1.00 10.00 C ATOM 773 O GLN A 50 6.140 -3.734 12.443 1.00 10.00 O ATOM 774 CB GLN A 50 6.981 -6.319 11.315 1.00 10.00 C ATOM 775 CG GLN A 50 7.383 -7.526 10.441 1.00 10.00 C ATOM 776 CD GLN A 50 8.106 -7.164 9.138 1.00 10.00 C ATOM 777 OE1 GLN A 50 8.912 -6.242 9.088 1.00 10.00 O ATOM 778 NE2 GLN A 50 7.773 -7.842 8.046 1.00 10.00 N ATOM 0 H GLN A 50 7.789 -4.657 9.770 1.00 10.00 H new ATOM 0 HA GLN A 50 5.231 -5.856 10.147 1.00 10.00 H new ATOM 0 HB2 GLN A 50 7.886 -5.797 11.626 1.00 10.00 H new ATOM 0 HB3 GLN A 50 6.500 -6.689 12.220 1.00 10.00 H new ATOM 0 HG2 GLN A 50 8.026 -8.183 11.027 1.00 10.00 H new ATOM 0 HG3 GLN A 50 6.486 -8.094 10.196 1.00 10.00 H new ATOM 0 HE21 GLN A 50 7.100 -8.607 8.106 1.00 10.00 H new ATOM 0 HE22 GLN A 50 8.190 -7.598 7.147 1.00 10.00 H new ATOM 787 N VAL A 51 4.091 -4.265 11.668 1.00 10.00 N ATOM 788 CA VAL A 51 3.297 -3.625 12.705 1.00 10.00 C ATOM 789 C VAL A 51 2.189 -4.599 13.141 1.00 10.00 C ATOM 790 O VAL A 51 1.771 -5.436 12.338 1.00 10.00 O ATOM 791 CB VAL A 51 2.769 -2.244 12.246 1.00 10.00 C ATOM 792 CG1 VAL A 51 3.919 -1.236 12.095 1.00 10.00 C ATOM 793 CG2 VAL A 51 1.976 -2.282 10.932 1.00 10.00 C ATOM 0 H VAL A 51 3.518 -4.655 10.920 1.00 10.00 H new ATOM 0 HA VAL A 51 3.915 -3.408 13.576 1.00 10.00 H new ATOM 0 HB VAL A 51 2.083 -1.932 13.033 1.00 10.00 H new ATOM 0 HG11 VAL A 51 3.520 -0.275 11.772 1.00 10.00 H new ATOM 0 HG12 VAL A 51 4.425 -1.115 13.053 1.00 10.00 H new ATOM 0 HG13 VAL A 51 4.629 -1.602 11.353 1.00 10.00 H new ATOM 0 HG21 VAL A 51 1.641 -1.276 10.680 1.00 10.00 H new ATOM 0 HG22 VAL A 51 2.613 -2.663 10.134 1.00 10.00 H new ATOM 0 HG23 VAL A 51 1.110 -2.934 11.048 1.00 10.00 H new ATOM 803 N PRO A 52 1.734 -4.542 14.406 1.00 10.00 N ATOM 804 CA PRO A 52 0.752 -5.476 14.945 1.00 10.00 C ATOM 805 C PRO A 52 -0.625 -5.260 14.311 1.00 10.00 C ATOM 806 O PRO A 52 -1.208 -4.182 14.443 1.00 10.00 O ATOM 807 CB PRO A 52 0.739 -5.235 16.460 1.00 10.00 C ATOM 808 CG PRO A 52 1.220 -3.791 16.602 1.00 10.00 C ATOM 809 CD PRO A 52 2.219 -3.658 15.455 1.00 10.00 C ATOM 0 HA PRO A 52 1.010 -6.511 14.720 1.00 10.00 H new ATOM 0 HB2 PRO A 52 -0.259 -5.367 16.878 1.00 10.00 H new ATOM 0 HB3 PRO A 52 1.398 -5.929 16.982 1.00 10.00 H new ATOM 0 HG2 PRO A 52 0.399 -3.080 16.509 1.00 10.00 H new ATOM 0 HG3 PRO A 52 1.688 -3.613 17.570 1.00 10.00 H new ATOM 0 HD2 PRO A 52 2.277 -2.628 15.103 1.00 10.00 H new ATOM 0 HD3 PRO A 52 3.222 -3.942 15.774 1.00 10.00 H new ATOM 817 N LEU A 53 -1.147 -6.297 13.646 1.00 10.00 N ATOM 818 CA LEU A 53 -2.474 -6.357 13.063 1.00 10.00 C ATOM 819 C LEU A 53 -3.527 -6.073 14.140 1.00 10.00 C ATOM 820 O LEU A 53 -3.366 -6.412 15.312 1.00 10.00 O ATOM 821 CB LEU A 53 -2.705 -7.757 12.453 1.00 10.00 C ATOM 822 CG LEU A 53 -1.953 -8.127 11.154 1.00 10.00 C ATOM 823 CD1 LEU A 53 -2.420 -7.297 9.957 1.00 10.00 C ATOM 824 CD2 LEU A 53 -0.422 -8.066 11.227 1.00 10.00 C ATOM 0 H LEU A 53 -0.620 -7.158 13.497 1.00 10.00 H new ATOM 0 HA LEU A 53 -2.560 -5.605 12.278 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -2.443 -8.496 13.210 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -3.773 -7.863 12.260 1.00 10.00 H new ATOM 0 HG LEU A 53 -2.216 -9.176 11.020 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.862 -7.594 9.069 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -3.484 -7.465 9.791 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -2.247 -6.240 10.158 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -0.000 -8.345 10.261 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -0.110 -7.053 11.481 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -0.066 -8.757 11.991 1.00 10.00 H new ATOM 836 N GLY A 54 -4.626 -5.467 13.704 1.00 10.00 N ATOM 837 CA GLY A 54 -5.674 -4.898 14.532 1.00 10.00 C ATOM 838 C GLY A 54 -6.484 -3.925 13.683 1.00 10.00 C ATOM 839 O GLY A 54 -6.098 -2.766 13.553 1.00 10.00 O ATOM 0 H GLY A 54 -4.816 -5.355 12.708 1.00 10.00 H new ATOM 0 HA2 GLY A 54 -6.317 -5.686 14.924 1.00 10.00 H new ATOM 0 HA3 GLY A 54 -5.242 -4.383 15.390 1.00 10.00 H new ATOM 843 N ASP A 55 -7.546 -4.433 13.049 1.00 10.00 N ATOM 844 CA ASP A 55 -8.290 -3.797 11.965 1.00 10.00 C ATOM 845 C ASP A 55 -8.910 -2.467 12.401 1.00 10.00 C ATOM 846 O ASP A 55 -9.766 -2.440 13.283 1.00 10.00 O ATOM 847 CB ASP A 55 -9.367 -4.767 11.464 1.00 10.00 C ATOM 848 CG ASP A 55 -9.907 -4.350 10.102 1.00 10.00 C ATOM 849 OD1 ASP A 55 -10.761 -3.436 10.062 1.00 10.00 O ATOM 850 OD2 ASP A 55 -9.461 -4.966 9.105 1.00 10.00 O ATOM 0 H ASP A 55 -7.927 -5.347 13.294 1.00 10.00 H new ATOM 0 HA ASP A 55 -7.598 -3.567 11.155 1.00 10.00 H new ATOM 0 HB2 ASP A 55 -8.950 -5.772 11.399 1.00 10.00 H new ATOM 0 HB3 ASP A 55 -10.185 -4.807 12.184 1.00 10.00 H new ATOM 855 N ALA A 56 -8.481 -1.366 11.779 1.00 10.00 N ATOM 856 CA ALA A 56 -8.713 -0.006 12.255 1.00 10.00 C ATOM 857 C ALA A 56 -9.890 0.715 11.585 1.00 10.00 C ATOM 858 O ALA A 56 -9.948 1.943 11.579 1.00 10.00 O ATOM 859 CB ALA A 56 -7.419 0.809 12.177 1.00 10.00 C ATOM 0 H ALA A 56 -7.950 -1.400 10.909 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.017 -0.096 13.298 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -7.605 1.822 12.535 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -6.655 0.339 12.797 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -7.075 0.847 11.144 1.00 10.00 H new ATOM 865 N ALA A 57 -10.820 -0.050 11.012 1.00 10.00 N ATOM 866 CA ALA A 57 -12.129 0.365 10.472 1.00 10.00 C ATOM 867 C ALA A 57 -12.137 1.418 9.337 1.00 10.00 C ATOM 868 O ALA A 57 -13.177 1.615 8.713 1.00 10.00 O ATOM 869 CB ALA A 57 -13.053 0.778 11.625 1.00 10.00 C ATOM 0 H ALA A 57 -10.673 -1.053 10.902 1.00 10.00 H new ATOM 0 HA ALA A 57 -12.501 -0.523 9.961 1.00 10.00 H new ATOM 0 HB1 ALA A 57 -14.020 1.084 11.225 1.00 10.00 H new ATOM 0 HB2 ALA A 57 -13.191 -0.066 12.301 1.00 10.00 H new ATOM 0 HB3 ALA A 57 -12.606 1.610 12.170 1.00 10.00 H new ATOM 875 N ARG A 58 -10.989 2.017 9.003 1.00 10.00 N ATOM 876 CA ARG A 58 -10.684 2.768 7.776 1.00 10.00 C ATOM 877 C ARG A 58 -11.414 4.113 7.578 1.00 10.00 C ATOM 878 O ARG A 58 -11.817 4.425 6.452 1.00 10.00 O ATOM 879 CB ARG A 58 -10.861 1.843 6.549 1.00 10.00 C ATOM 880 CG ARG A 58 -10.220 0.452 6.667 1.00 10.00 C ATOM 881 CD ARG A 58 -10.752 -0.441 5.541 1.00 10.00 C ATOM 882 NE ARG A 58 -10.197 -1.793 5.619 1.00 10.00 N ATOM 883 CZ ARG A 58 -10.449 -2.697 6.570 1.00 10.00 C ATOM 884 NH1 ARG A 58 -11.376 -2.478 7.502 1.00 10.00 N ATOM 885 NH2 ARG A 58 -9.719 -3.806 6.583 1.00 10.00 N ATOM 0 H ARG A 58 -10.186 1.988 9.631 1.00 10.00 H new ATOM 0 HA ARG A 58 -9.645 3.078 7.890 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -11.928 1.717 6.363 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -10.442 2.343 5.676 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -9.135 0.531 6.603 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -10.451 0.012 7.637 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -11.839 -0.490 5.597 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -10.502 0.001 4.576 1.00 10.00 H new ATOM 0 HE ARG A 58 -9.556 -2.072 4.876 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -11.908 -1.608 7.498 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -11.554 -3.181 8.220 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -8.993 -3.947 5.881 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -9.885 -4.517 7.295 1.00 10.00 H new ATOM 899 N PRO A 59 -11.490 4.984 8.600 1.00 10.00 N ATOM 900 CA PRO A 59 -12.096 6.302 8.463 1.00 10.00 C ATOM 901 C PRO A 59 -11.218 7.186 7.564 1.00 10.00 C ATOM 902 O PRO A 59 -11.708 7.806 6.621 1.00 10.00 O ATOM 903 CB PRO A 59 -12.210 6.825 9.898 1.00 10.00 C ATOM 904 CG PRO A 59 -11.059 6.151 10.654 1.00 10.00 C ATOM 905 CD PRO A 59 -10.731 4.898 9.838 1.00 10.00 C ATOM 0 HA PRO A 59 -13.075 6.289 7.985 1.00 10.00 H new ATOM 0 HB2 PRO A 59 -12.123 7.911 9.931 1.00 10.00 H new ATOM 0 HB3 PRO A 59 -13.175 6.569 10.337 1.00 10.00 H new ATOM 0 HG2 PRO A 59 -10.195 6.811 10.728 1.00 10.00 H new ATOM 0 HG3 PRO A 59 -11.352 5.894 11.672 1.00 10.00 H new ATOM 0 HD2 PRO A 59 -9.662 4.841 9.632 1.00 10.00 H new ATOM 0 HD3 PRO A 59 -10.997 3.997 10.391 1.00 10.00 H new ATOM 913 N SER A 60 -9.905 7.162 7.817 1.00 10.00 N ATOM 914 CA SER A 60 -8.822 7.693 7.009 1.00 10.00 C ATOM 915 C SER A 60 -9.015 7.367 5.536 1.00 10.00 C ATOM 916 O SER A 60 -9.006 8.272 4.703 1.00 10.00 O ATOM 917 CB SER A 60 -7.504 7.132 7.568 1.00 10.00 C ATOM 918 OG SER A 60 -7.669 5.775 7.949 1.00 10.00 O ATOM 0 H SER A 60 -9.551 6.730 8.670 1.00 10.00 H new ATOM 0 HA SER A 60 -8.804 8.781 7.065 1.00 10.00 H new ATOM 0 HB2 SER A 60 -6.719 7.213 6.817 1.00 10.00 H new ATOM 0 HB3 SER A 60 -7.185 7.722 8.427 1.00 10.00 H new ATOM 0 HG SER A 60 -6.881 5.260 7.676 1.00 10.00 H new ATOM 924 N HIS A 61 -9.146 6.081 5.205 1.00 10.00 N ATOM 925 CA HIS A 61 -9.018 5.604 3.835 1.00 10.00 C ATOM 926 C HIS A 61 -10.294 5.850 3.050 1.00 10.00 C ATOM 927 O HIS A 61 -10.209 6.072 1.850 1.00 10.00 O ATOM 928 CB HIS A 61 -8.609 4.129 3.801 1.00 10.00 C ATOM 929 CG HIS A 61 -7.602 3.792 4.869 1.00 10.00 C ATOM 930 ND1 HIS A 61 -7.723 2.753 5.757 1.00 10.00 N ATOM 931 CD2 HIS A 61 -6.604 4.617 5.320 1.00 10.00 C ATOM 932 CE1 HIS A 61 -6.833 2.951 6.737 1.00 10.00 C ATOM 933 NE2 HIS A 61 -6.138 4.083 6.522 1.00 10.00 N ATOM 0 H HIS A 61 -9.344 5.344 5.882 1.00 10.00 H new ATOM 0 HA HIS A 61 -8.223 6.173 3.353 1.00 10.00 H new ATOM 0 HB2 HIS A 61 -9.494 3.506 3.929 1.00 10.00 H new ATOM 0 HB3 HIS A 61 -8.191 3.892 2.823 1.00 10.00 H new ATOM 0 HD1 HIS A 61 -8.374 1.971 5.684 1.00 10.00 H new ATOM 0 HD2 HIS A 61 -6.245 5.513 4.835 1.00 10.00 H new ATOM 0 HE1 HIS A 61 -6.692 2.294 7.582 1.00 10.00 H new ATOM 941 N LEU A 62 -11.454 5.877 3.717 1.00 10.00 N ATOM 942 CA LEU A 62 -12.673 6.401 3.125 1.00 10.00 C ATOM 943 C LEU A 62 -12.505 7.898 2.843 1.00 10.00 C ATOM 944 O LEU A 62 -12.674 8.327 1.701 1.00 10.00 O ATOM 945 CB LEU A 62 -13.860 6.090 4.057 1.00 10.00 C ATOM 946 CG LEU A 62 -15.256 6.355 3.450 1.00 10.00 C ATOM 947 CD1 LEU A 62 -16.307 5.608 4.284 1.00 10.00 C ATOM 948 CD2 LEU A 62 -15.651 7.840 3.407 1.00 10.00 C ATOM 0 H LEU A 62 -11.566 5.538 4.672 1.00 10.00 H new ATOM 0 HA LEU A 62 -12.879 5.922 2.168 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -13.803 5.043 4.355 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -13.756 6.686 4.964 1.00 10.00 H new ATOM 0 HG LEU A 62 -15.213 6.005 2.419 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -17.298 5.787 3.866 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -16.093 4.539 4.266 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -16.277 5.967 5.313 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -16.643 7.940 2.967 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -15.660 8.243 4.420 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -14.930 8.391 2.804 1.00 10.00 H new ATOM 960 N LEU A 63 -12.165 8.684 3.873 1.00 10.00 N ATOM 961 CA LEU A 63 -12.186 10.146 3.837 1.00 10.00 C ATOM 962 C LEU A 63 -11.202 10.681 2.800 1.00 10.00 C ATOM 963 O LEU A 63 -11.552 11.547 2.002 1.00 10.00 O ATOM 964 CB LEU A 63 -11.873 10.689 5.244 1.00 10.00 C ATOM 965 CG LEU A 63 -11.794 12.227 5.341 1.00 10.00 C ATOM 966 CD1 LEU A 63 -13.113 12.910 4.960 1.00 10.00 C ATOM 967 CD2 LEU A 63 -11.419 12.621 6.776 1.00 10.00 C ATOM 0 H LEU A 63 -11.862 8.310 4.772 1.00 10.00 H new ATOM 0 HA LEU A 63 -13.178 10.487 3.539 1.00 10.00 H new ATOM 0 HB2 LEU A 63 -12.639 10.334 5.934 1.00 10.00 H new ATOM 0 HB3 LEU A 63 -10.924 10.269 5.578 1.00 10.00 H new ATOM 0 HG LEU A 63 -11.036 12.562 4.632 1.00 10.00 H new ATOM 0 HD11 LEU A 63 -13.001 13.991 5.046 1.00 10.00 H new ATOM 0 HD12 LEU A 63 -13.373 12.652 3.933 1.00 10.00 H new ATOM 0 HD13 LEU A 63 -13.904 12.573 5.630 1.00 10.00 H new ATOM 0 HD21 LEU A 63 -11.361 13.707 6.852 1.00 10.00 H new ATOM 0 HD22 LEU A 63 -12.177 12.249 7.465 1.00 10.00 H new ATOM 0 HD23 LEU A 63 -10.452 12.188 7.031 1.00 10.00 H new ATOM 979 N THR A 64 -9.977 10.154 2.810 1.00 10.00 N ATOM 980 CA THR A 64 -8.988 10.394 1.777 1.00 10.00 C ATOM 981 C THR A 64 -9.499 9.794 0.465 1.00 10.00 C ATOM 982 O THR A 64 -9.889 10.528 -0.447 1.00 10.00 O ATOM 983 CB THR A 64 -7.603 9.849 2.199 1.00 10.00 C ATOM 984 OG1 THR A 64 -7.655 8.497 2.605 1.00 10.00 O ATOM 985 CG2 THR A 64 -6.987 10.681 3.328 1.00 10.00 C ATOM 0 H THR A 64 -9.646 9.538 3.553 1.00 10.00 H new ATOM 0 HA THR A 64 -8.846 11.464 1.627 1.00 10.00 H new ATOM 0 HB THR A 64 -6.976 9.922 1.310 1.00 10.00 H new ATOM 0 HG1 THR A 64 -7.923 8.448 3.546 1.00 10.00 H new ATOM 0 HG21 THR A 64 -6.015 10.267 3.596 1.00 10.00 H new ATOM 0 HG22 THR A 64 -6.863 11.711 2.995 1.00 10.00 H new ATOM 0 HG23 THR A 64 -7.644 10.658 4.197 1.00 10.00 H new ATOM 993 N SER A 65 -9.484 8.458 0.386 1.00 10.00 N ATOM 994 CA SER A 65 -9.708 7.616 -0.787 1.00 10.00 C ATOM 995 C SER A 65 -8.968 8.054 -2.081 1.00 10.00 C ATOM 996 O SER A 65 -9.411 7.782 -3.168 1.00 10.00 O ATOM 997 CB SER A 65 -11.186 7.209 -0.949 1.00 10.00 C ATOM 998 OG SER A 65 -12.089 8.268 -0.747 1.00 10.00 O ATOM 0 H SER A 65 -9.298 7.893 1.215 1.00 10.00 H new ATOM 0 HA SER A 65 -9.190 6.681 -0.574 1.00 10.00 H new ATOM 0 HB2 SER A 65 -11.334 6.803 -1.949 1.00 10.00 H new ATOM 0 HB3 SER A 65 -11.413 6.410 -0.243 1.00 10.00 H new ATOM 0 HG SER A 65 -12.032 8.574 0.182 1.00 10.00 H new ATOM 1004 N GLN A 66 -7.831 8.735 -1.842 1.00 10.00 N ATOM 1005 CA GLN A 66 -6.800 8.792 -2.895 1.00 10.00 C ATOM 1006 C GLN A 66 -6.333 7.342 -3.020 1.00 10.00 C ATOM 1007 O GLN A 66 -6.703 6.653 -3.967 1.00 10.00 O ATOM 1008 CB GLN A 66 -5.630 9.741 -2.542 1.00 10.00 C ATOM 1009 CG GLN A 66 -5.960 11.241 -2.614 1.00 10.00 C ATOM 1010 CD GLN A 66 -6.937 11.657 -1.520 1.00 10.00 C ATOM 1011 OE1 GLN A 66 -6.651 11.535 -0.336 1.00 10.00 O ATOM 1012 NE2 GLN A 66 -8.136 12.068 -1.888 1.00 10.00 N ATOM 0 H GLN A 66 -7.609 9.229 -0.978 1.00 10.00 H new ATOM 0 HA GLN A 66 -7.193 9.197 -3.827 1.00 10.00 H new ATOM 0 HB2 GLN A 66 -5.286 9.509 -1.534 1.00 10.00 H new ATOM 0 HB3 GLN A 66 -4.800 9.535 -3.217 1.00 10.00 H new ATOM 0 HG2 GLN A 66 -5.041 11.820 -2.521 1.00 10.00 H new ATOM 0 HG3 GLN A 66 -6.386 11.473 -3.590 1.00 10.00 H new ATOM 0 HE21 GLN A 66 -8.360 12.165 -2.878 1.00 10.00 H new ATOM 0 HE22 GLN A 66 -8.838 12.289 -1.182 1.00 10.00 H new ATOM 1021 N LEU A 67 -5.581 6.860 -2.023 1.00 10.00 N ATOM 1022 CA LEU A 67 -5.165 5.470 -1.918 1.00 10.00 C ATOM 1023 C LEU A 67 -6.413 4.638 -1.572 1.00 10.00 C ATOM 1024 O LEU A 67 -7.288 5.127 -0.856 1.00 10.00 O ATOM 1025 CB LEU A 67 -4.083 5.302 -0.843 1.00 10.00 C ATOM 1026 CG LEU A 67 -2.734 5.997 -1.093 1.00 10.00 C ATOM 1027 CD1 LEU A 67 -2.754 7.532 -1.107 1.00 10.00 C ATOM 1028 CD2 LEU A 67 -1.764 5.554 0.010 1.00 10.00 C ATOM 0 H LEU A 67 -5.242 7.442 -1.257 1.00 10.00 H new ATOM 0 HA LEU A 67 -4.733 5.133 -2.860 1.00 10.00 H new ATOM 0 HB2 LEU A 67 -4.484 5.671 0.101 1.00 10.00 H new ATOM 0 HB3 LEU A 67 -3.896 4.236 -0.715 1.00 10.00 H new ATOM 0 HG LEU A 67 -2.437 5.698 -2.098 1.00 10.00 H new ATOM 0 HD11 LEU A 67 -1.747 7.907 -1.292 1.00 10.00 H new ATOM 0 HD12 LEU A 67 -3.422 7.880 -1.895 1.00 10.00 H new ATOM 0 HD13 LEU A 67 -3.107 7.900 -0.144 1.00 10.00 H new ATOM 0 HD21 LEU A 67 -0.797 6.033 -0.142 1.00 10.00 H new ATOM 0 HD22 LEU A 67 -2.163 5.843 0.983 1.00 10.00 H new ATOM 0 HD23 LEU A 67 -1.643 4.471 -0.025 1.00 10.00 H new ATOM 1040 N PRO A 68 -6.533 3.406 -2.090 1.00 10.00 N ATOM 1041 CA PRO A 68 -7.789 2.668 -2.091 1.00 10.00 C ATOM 1042 C PRO A 68 -7.999 1.811 -0.840 1.00 10.00 C ATOM 1043 O PRO A 68 -7.114 1.676 0.009 1.00 10.00 O ATOM 1044 CB PRO A 68 -7.667 1.792 -3.330 1.00 10.00 C ATOM 1045 CG PRO A 68 -6.195 1.395 -3.304 1.00 10.00 C ATOM 1046 CD PRO A 68 -5.536 2.702 -2.883 1.00 10.00 C ATOM 0 HA PRO A 68 -8.648 3.339 -2.095 1.00 10.00 H new ATOM 0 HB2 PRO A 68 -8.323 0.923 -3.280 1.00 10.00 H new ATOM 0 HB3 PRO A 68 -7.926 2.335 -4.239 1.00 10.00 H new ATOM 0 HG2 PRO A 68 -6.000 0.590 -2.595 1.00 10.00 H new ATOM 0 HG3 PRO A 68 -5.845 1.054 -4.278 1.00 10.00 H new ATOM 0 HD2 PRO A 68 -4.633 2.516 -2.302 1.00 10.00 H new ATOM 0 HD3 PRO A 68 -5.240 3.290 -3.752 1.00 10.00 H new ATOM 1054 N LEU A 69 -9.174 1.174 -0.796 1.00 10.00 N ATOM 1055 CA LEU A 69 -9.518 0.099 0.128 1.00 10.00 C ATOM 1056 C LEU A 69 -8.688 -1.149 -0.214 1.00 10.00 C ATOM 1057 O LEU A 69 -8.123 -1.787 0.677 1.00 10.00 O ATOM 1058 CB LEU A 69 -11.038 -0.179 0.022 1.00 10.00 C ATOM 1059 CG LEU A 69 -11.782 -0.522 1.326 1.00 10.00 C ATOM 1060 CD1 LEU A 69 -11.261 -1.797 1.998 1.00 10.00 C ATOM 1061 CD2 LEU A 69 -11.795 0.671 2.290 1.00 10.00 C ATOM 0 H LEU A 69 -9.939 1.406 -1.430 1.00 10.00 H new ATOM 0 HA LEU A 69 -9.289 0.382 1.156 1.00 10.00 H new ATOM 0 HB2 LEU A 69 -11.512 0.699 -0.417 1.00 10.00 H new ATOM 0 HB3 LEU A 69 -11.183 -1.003 -0.677 1.00 10.00 H new ATOM 0 HG LEU A 69 -12.814 -0.735 1.047 1.00 10.00 H new ATOM 0 HD11 LEU A 69 -11.826 -1.984 2.911 1.00 10.00 H new ATOM 0 HD12 LEU A 69 -11.380 -2.641 1.319 1.00 10.00 H new ATOM 0 HD13 LEU A 69 -10.206 -1.674 2.243 1.00 10.00 H new ATOM 0 HD21 LEU A 69 -12.327 0.397 3.201 1.00 10.00 H new ATOM 0 HD22 LEU A 69 -10.771 0.949 2.538 1.00 10.00 H new ATOM 0 HD23 LEU A 69 -12.296 1.516 1.817 1.00 10.00 H new ATOM 1073 N MET A 70 -8.584 -1.476 -1.511 1.00 10.00 N ATOM 1074 CA MET A 70 -7.779 -2.575 -2.022 1.00 10.00 C ATOM 1075 C MET A 70 -7.111 -2.183 -3.345 1.00 10.00 C ATOM 1076 O MET A 70 -7.715 -1.501 -4.181 1.00 10.00 O ATOM 1077 CB MET A 70 -8.664 -3.826 -2.177 1.00 10.00 C ATOM 1078 CG MET A 70 -7.898 -5.052 -2.691 1.00 10.00 C ATOM 1079 SD MET A 70 -8.919 -6.512 -3.028 1.00 10.00 S ATOM 1080 CE MET A 70 -9.553 -6.094 -4.673 1.00 10.00 C ATOM 0 H MET A 70 -9.074 -0.965 -2.245 1.00 10.00 H new ATOM 0 HA MET A 70 -6.981 -2.804 -1.316 1.00 10.00 H new ATOM 0 HB2 MET A 70 -9.114 -4.065 -1.214 1.00 10.00 H new ATOM 0 HB3 MET A 70 -9.480 -3.602 -2.864 1.00 10.00 H new ATOM 0 HG2 MET A 70 -7.373 -4.776 -3.606 1.00 10.00 H new ATOM 0 HG3 MET A 70 -7.139 -5.321 -1.957 1.00 10.00 H new ATOM 0 HE1 MET A 70 -10.203 -6.895 -5.027 1.00 10.00 H new ATOM 0 HE2 MET A 70 -10.119 -5.164 -4.619 1.00 10.00 H new ATOM 0 HE3 MET A 70 -8.719 -5.972 -5.364 1.00 10.00 H new ATOM 1090 N TRP A 71 -5.892 -2.691 -3.553 1.00 10.00 N ATOM 1091 CA TRP A 71 -5.170 -2.698 -4.815 1.00 10.00 C ATOM 1092 C TRP A 71 -5.101 -4.147 -5.293 1.00 10.00 C ATOM 1093 O TRP A 71 -5.070 -5.061 -4.467 1.00 10.00 O ATOM 1094 CB TRP A 71 -3.744 -2.164 -4.631 1.00 10.00 C ATOM 1095 CG TRP A 71 -3.517 -0.689 -4.631 1.00 10.00 C ATOM 1096 CD1 TRP A 71 -3.761 0.133 -5.674 1.00 10.00 C ATOM 1097 CD2 TRP A 71 -2.847 0.128 -3.622 1.00 10.00 C ATOM 1098 NE1 TRP A 71 -3.346 1.409 -5.356 1.00 10.00 N ATOM 1099 CE2 TRP A 71 -2.726 1.455 -4.128 1.00 10.00 C ATOM 1100 CE3 TRP A 71 -2.281 -0.130 -2.356 1.00 10.00 C ATOM 1101 CZ2 TRP A 71 -2.086 2.479 -3.416 1.00 10.00 C ATOM 1102 CZ3 TRP A 71 -1.626 0.887 -1.629 1.00 10.00 C ATOM 1103 CH2 TRP A 71 -1.550 2.197 -2.151 1.00 10.00 C ATOM 0 H TRP A 71 -5.360 -3.130 -2.801 1.00 10.00 H new ATOM 0 HA TRP A 71 -5.681 -2.061 -5.537 1.00 10.00 H new ATOM 0 HB2 TRP A 71 -3.366 -2.555 -3.686 1.00 10.00 H new ATOM 0 HB3 TRP A 71 -3.128 -2.591 -5.422 1.00 10.00 H new ATOM 0 HD1 TRP A 71 -4.211 -0.163 -6.610 1.00 10.00 H new ATOM 0 HE1 TRP A 71 -3.482 2.221 -5.958 1.00 10.00 H new ATOM 0 HE3 TRP A 71 -2.350 -1.123 -1.936 1.00 10.00 H new ATOM 0 HZ2 TRP A 71 -2.007 3.471 -3.836 1.00 10.00 H new ATOM 0 HZ3 TRP A 71 -1.182 0.663 -0.671 1.00 10.00 H new ATOM 0 HH2 TRP A 71 -1.079 2.981 -1.576 1.00 10.00 H new ATOM 1114 N GLN A 72 -5.019 -4.347 -6.610 1.00 10.00 N ATOM 1115 CA GLN A 72 -5.029 -5.621 -7.290 1.00 10.00 C ATOM 1116 C GLN A 72 -4.018 -5.539 -8.423 1.00 10.00 C ATOM 1117 O GLN A 72 -4.136 -4.673 -9.287 1.00 10.00 O ATOM 1118 CB GLN A 72 -6.439 -5.877 -7.840 1.00 10.00 C ATOM 1119 CG GLN A 72 -6.623 -7.336 -8.260 1.00 10.00 C ATOM 1120 CD GLN A 72 -6.844 -8.237 -7.046 1.00 10.00 C ATOM 1121 OE1 GLN A 72 -7.978 -8.500 -6.667 1.00 10.00 O ATOM 1122 NE2 GLN A 72 -5.795 -8.698 -6.378 1.00 10.00 N ATOM 0 H GLN A 72 -4.939 -3.566 -7.262 1.00 10.00 H new ATOM 0 HA GLN A 72 -4.767 -6.438 -6.618 1.00 10.00 H new ATOM 0 HB2 GLN A 72 -7.178 -5.620 -7.081 1.00 10.00 H new ATOM 0 HB3 GLN A 72 -6.620 -5.226 -8.695 1.00 10.00 H new ATOM 0 HG2 GLN A 72 -7.474 -7.418 -8.937 1.00 10.00 H new ATOM 0 HG3 GLN A 72 -5.744 -7.672 -8.811 1.00 10.00 H new ATOM 0 HE21 GLN A 72 -4.851 -8.478 -6.696 1.00 10.00 H new ATOM 0 HE22 GLN A 72 -5.932 -9.273 -5.547 1.00 10.00 H new ATOM 1131 N LEU A 73 -2.999 -6.393 -8.393 1.00 10.00 N ATOM 1132 CA LEU A 73 -1.920 -6.384 -9.353 1.00 10.00 C ATOM 1133 C LEU A 73 -2.467 -6.670 -10.750 1.00 10.00 C ATOM 1134 O LEU A 73 -3.423 -7.424 -10.932 1.00 10.00 O ATOM 1135 CB LEU A 73 -0.903 -7.442 -8.887 1.00 10.00 C ATOM 1136 CG LEU A 73 0.328 -7.669 -9.786 1.00 10.00 C ATOM 1137 CD1 LEU A 73 1.335 -6.518 -9.676 1.00 10.00 C ATOM 1138 CD2 LEU A 73 1.018 -8.976 -9.375 1.00 10.00 C ATOM 0 H LEU A 73 -2.906 -7.121 -7.684 1.00 10.00 H new ATOM 0 HA LEU A 73 -1.429 -5.412 -9.411 1.00 10.00 H new ATOM 0 HB2 LEU A 73 -0.551 -7.160 -7.895 1.00 10.00 H new ATOM 0 HB3 LEU A 73 -1.426 -8.392 -8.782 1.00 10.00 H new ATOM 0 HG LEU A 73 -0.016 -7.720 -10.819 1.00 10.00 H new ATOM 0 HD11 LEU A 73 2.188 -6.717 -10.325 1.00 10.00 H new ATOM 0 HD12 LEU A 73 0.857 -5.586 -9.980 1.00 10.00 H new ATOM 0 HD13 LEU A 73 1.677 -6.431 -8.645 1.00 10.00 H new ATOM 0 HD21 LEU A 73 1.890 -9.142 -10.008 1.00 10.00 H new ATOM 0 HD22 LEU A 73 1.333 -8.909 -8.334 1.00 10.00 H new ATOM 0 HD23 LEU A 73 0.322 -9.807 -9.491 1.00 10.00 H new ATOM 1150 N TYR A 74 -1.846 -6.019 -11.727 1.00 10.00 N ATOM 1151 CA TYR A 74 -2.342 -5.825 -13.071 1.00 10.00 C ATOM 1152 C TYR A 74 -1.203 -5.941 -14.101 1.00 10.00 C ATOM 1153 O TYR A 74 -0.050 -5.638 -13.767 1.00 10.00 O ATOM 1154 CB TYR A 74 -3.011 -4.441 -13.118 1.00 10.00 C ATOM 1155 CG TYR A 74 -4.113 -4.292 -14.139 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -5.382 -4.833 -13.860 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -3.886 -3.603 -15.346 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -6.437 -4.673 -14.773 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -4.933 -3.453 -16.272 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.215 -3.978 -15.986 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.226 -3.809 -16.882 1.00 10.00 O ATOM 0 H TYR A 74 -0.931 -5.591 -11.587 1.00 10.00 H new ATOM 0 HA TYR A 74 -3.067 -6.597 -13.329 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.419 -4.219 -12.132 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -2.246 -3.692 -13.322 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -5.545 -5.374 -12.939 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -2.911 -3.191 -15.560 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -7.413 -5.078 -14.551 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -4.758 -2.936 -17.204 1.00 10.00 H new ATOM 0 HH TYR A 74 -6.896 -3.308 -17.657 1.00 10.00 H new ATOM 1171 N PRO A 75 -1.498 -6.364 -15.349 1.00 10.00 N ATOM 1172 CA PRO A 75 -0.516 -6.457 -16.425 1.00 10.00 C ATOM 1173 C PRO A 75 0.280 -5.169 -16.676 1.00 10.00 C ATOM 1174 O PRO A 75 -0.121 -4.077 -16.273 1.00 10.00 O ATOM 1175 CB PRO A 75 -1.309 -6.859 -17.673 1.00 10.00 C ATOM 1176 CG PRO A 75 -2.469 -7.663 -17.099 1.00 10.00 C ATOM 1177 CD PRO A 75 -2.769 -6.929 -15.796 1.00 10.00 C ATOM 0 HA PRO A 75 0.247 -7.185 -16.151 1.00 10.00 H new ATOM 0 HB2 PRO A 75 -1.657 -5.988 -18.228 1.00 10.00 H new ATOM 0 HB3 PRO A 75 -0.707 -7.454 -18.360 1.00 10.00 H new ATOM 0 HG2 PRO A 75 -3.329 -7.669 -17.769 1.00 10.00 H new ATOM 0 HG3 PRO A 75 -2.194 -8.703 -16.924 1.00 10.00 H new ATOM 0 HD2 PRO A 75 -3.511 -6.146 -15.952 1.00 10.00 H new ATOM 0 HD3 PRO A 75 -3.177 -7.611 -15.049 1.00 10.00 H new ATOM 1185 N GLU A 76 1.403 -5.321 -17.392 1.00 10.00 N ATOM 1186 CA GLU A 76 2.393 -4.274 -17.680 1.00 10.00 C ATOM 1187 C GLU A 76 3.090 -3.753 -16.407 1.00 10.00 C ATOM 1188 O GLU A 76 3.739 -2.713 -16.447 1.00 10.00 O ATOM 1189 CB GLU A 76 1.763 -3.158 -18.539 1.00 10.00 C ATOM 1190 CG GLU A 76 2.767 -2.490 -19.498 1.00 10.00 C ATOM 1191 CD GLU A 76 2.157 -1.299 -20.242 1.00 10.00 C ATOM 1192 OE1 GLU A 76 0.971 -1.394 -20.636 1.00 10.00 O ATOM 1193 OE2 GLU A 76 2.862 -0.275 -20.391 1.00 10.00 O ATOM 0 H GLU A 76 1.657 -6.218 -17.805 1.00 10.00 H new ATOM 0 HA GLU A 76 3.194 -4.717 -18.271 1.00 10.00 H new ATOM 0 HB2 GLU A 76 0.940 -3.576 -19.119 1.00 10.00 H new ATOM 0 HB3 GLU A 76 1.338 -2.399 -17.882 1.00 10.00 H new ATOM 0 HG2 GLU A 76 3.637 -2.156 -18.934 1.00 10.00 H new ATOM 0 HG3 GLU A 76 3.119 -3.225 -20.221 1.00 10.00 H new ATOM 1200 N GLU A 77 2.977 -4.488 -15.292 1.00 10.00 N ATOM 1201 CA GLU A 77 3.341 -4.059 -13.945 1.00 10.00 C ATOM 1202 C GLU A 77 2.598 -2.776 -13.571 1.00 10.00 C ATOM 1203 O GLU A 77 3.170 -1.692 -13.430 1.00 10.00 O ATOM 1204 CB GLU A 77 4.865 -3.987 -13.729 1.00 10.00 C ATOM 1205 CG GLU A 77 5.510 -5.379 -13.695 1.00 10.00 C ATOM 1206 CD GLU A 77 6.914 -5.327 -13.091 1.00 10.00 C ATOM 1207 OE1 GLU A 77 7.000 -5.098 -11.864 1.00 10.00 O ATOM 1208 OE2 GLU A 77 7.888 -5.535 -13.848 1.00 10.00 O ATOM 0 H GLU A 77 2.612 -5.440 -15.311 1.00 10.00 H new ATOM 0 HA GLU A 77 3.011 -4.828 -13.246 1.00 10.00 H new ATOM 0 HB2 GLU A 77 5.316 -3.398 -14.528 1.00 10.00 H new ATOM 0 HB3 GLU A 77 5.074 -3.468 -12.793 1.00 10.00 H new ATOM 0 HG2 GLU A 77 4.886 -6.057 -13.112 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.562 -5.783 -14.706 1.00 10.00 H new ATOM 1215 N ARG A 78 1.295 -2.934 -13.340 1.00 10.00 N ATOM 1216 CA ARG A 78 0.472 -1.931 -12.689 1.00 10.00 C ATOM 1217 C ARG A 78 -0.343 -2.603 -11.587 1.00 10.00 C ATOM 1218 O ARG A 78 -0.241 -3.806 -11.355 1.00 10.00 O ATOM 1219 CB ARG A 78 -0.380 -1.165 -13.717 1.00 10.00 C ATOM 1220 CG ARG A 78 0.406 -0.583 -14.904 1.00 10.00 C ATOM 1221 CD ARG A 78 -0.358 0.582 -15.549 1.00 10.00 C ATOM 1222 NE ARG A 78 0.462 1.271 -16.554 1.00 10.00 N ATOM 1223 CZ ARG A 78 0.643 0.905 -17.825 1.00 10.00 C ATOM 1224 NH1 ARG A 78 -0.082 -0.077 -18.360 1.00 10.00 N ATOM 1225 NH2 ARG A 78 1.579 1.539 -18.528 1.00 10.00 N ATOM 0 H ARG A 78 0.781 -3.774 -13.605 1.00 10.00 H new ATOM 0 HA ARG A 78 1.095 -1.172 -12.217 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -1.148 -1.835 -14.102 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -0.894 -0.351 -13.206 1.00 10.00 H new ATOM 0 HG2 ARG A 78 1.383 -0.239 -14.565 1.00 10.00 H new ATOM 0 HG3 ARG A 78 0.582 -1.362 -15.645 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -1.269 0.207 -16.016 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -0.663 1.290 -14.778 1.00 10.00 H new ATOM 0 HE ARG A 78 0.943 2.117 -16.249 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -0.784 -0.557 -17.797 1.00 10.00 H new ATOM 0 HH12 ARG A 78 0.065 -0.348 -19.332 1.00 10.00 H new ATOM 0 HH21 ARG A 78 2.131 2.278 -18.093 1.00 10.00 H new ATOM 0 HH22 ARG A 78 1.745 1.285 -19.502 1.00 10.00 H new ATOM 1239 N TYR A 79 -1.147 -1.808 -10.900 1.00 10.00 N ATOM 1240 CA TYR A 79 -2.122 -2.207 -9.909 1.00 10.00 C ATOM 1241 C TYR A 79 -3.425 -1.485 -10.214 1.00 10.00 C ATOM 1242 O TYR A 79 -3.490 -0.258 -10.177 1.00 10.00 O ATOM 1243 CB TYR A 79 -1.640 -1.875 -8.494 1.00 10.00 C ATOM 1244 CG TYR A 79 -0.760 -2.930 -7.860 1.00 10.00 C ATOM 1245 CD1 TYR A 79 0.624 -2.939 -8.095 1.00 10.00 C ATOM 1246 CD2 TYR A 79 -1.323 -3.877 -6.988 1.00 10.00 C ATOM 1247 CE1 TYR A 79 1.447 -3.836 -7.393 1.00 10.00 C ATOM 1248 CE2 TYR A 79 -0.511 -4.781 -6.288 1.00 10.00 C ATOM 1249 CZ TYR A 79 0.888 -4.750 -6.480 1.00 10.00 C ATOM 1250 OH TYR A 79 1.717 -5.590 -5.806 1.00 10.00 O ATOM 0 H TYR A 79 -1.131 -0.797 -11.033 1.00 10.00 H new ATOM 0 HA TYR A 79 -2.269 -3.286 -9.952 1.00 10.00 H new ATOM 0 HB2 TYR A 79 -1.091 -0.934 -8.524 1.00 10.00 H new ATOM 0 HB3 TYR A 79 -2.510 -1.717 -7.857 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.055 -2.258 -8.814 1.00 10.00 H new ATOM 0 HD2 TYR A 79 -2.394 -3.909 -6.855 1.00 10.00 H new ATOM 0 HE1 TYR A 79 2.515 -3.824 -7.555 1.00 10.00 H new ATOM 0 HE2 TYR A 79 -0.952 -5.495 -5.608 1.00 10.00 H new ATOM 0 HH TYR A 79 1.257 -6.439 -5.639 1.00 10.00 H new ATOM 1260 N MET A 80 -4.481 -2.240 -10.494 1.00 10.00 N ATOM 1261 CA MET A 80 -5.828 -1.727 -10.434 1.00 10.00 C ATOM 1262 C MET A 80 -6.160 -1.499 -8.961 1.00 10.00 C ATOM 1263 O MET A 80 -5.535 -2.076 -8.068 1.00 10.00 O ATOM 1264 CB MET A 80 -6.751 -2.746 -11.119 1.00 10.00 C ATOM 1265 CG MET A 80 -8.201 -2.275 -11.187 1.00 10.00 C ATOM 1266 SD MET A 80 -9.243 -3.260 -12.294 1.00 10.00 S ATOM 1267 CE MET A 80 -10.808 -2.366 -12.106 1.00 10.00 C ATOM 0 H MET A 80 -4.419 -3.221 -10.767 1.00 10.00 H new ATOM 0 HA MET A 80 -5.954 -0.778 -10.955 1.00 10.00 H new ATOM 0 HB2 MET A 80 -6.388 -2.938 -12.129 1.00 10.00 H new ATOM 0 HB3 MET A 80 -6.705 -3.692 -10.579 1.00 10.00 H new ATOM 0 HG2 MET A 80 -8.628 -2.300 -10.184 1.00 10.00 H new ATOM 0 HG3 MET A 80 -8.220 -1.236 -11.516 1.00 10.00 H new ATOM 0 HE1 MET A 80 -11.607 -2.926 -12.592 1.00 10.00 H new ATOM 0 HE2 MET A 80 -11.037 -2.252 -11.046 1.00 10.00 H new ATOM 0 HE3 MET A 80 -10.722 -1.382 -12.567 1.00 10.00 H new ATOM 1277 N ASP A 81 -7.156 -0.665 -8.690 1.00 10.00 N ATOM 1278 CA ASP A 81 -7.775 -0.568 -7.385 1.00 10.00 C ATOM 1279 C ASP A 81 -9.269 -0.863 -7.409 1.00 10.00 C ATOM 1280 O ASP A 81 -9.916 -0.855 -8.458 1.00 10.00 O ATOM 1281 CB ASP A 81 -7.435 0.755 -6.687 1.00 10.00 C ATOM 1282 CG ASP A 81 -8.069 2.034 -7.240 1.00 10.00 C ATOM 1283 OD1 ASP A 81 -9.128 1.959 -7.895 1.00 10.00 O ATOM 1284 OD2 ASP A 81 -7.519 3.117 -6.935 1.00 10.00 O ATOM 0 H ASP A 81 -7.557 -0.032 -9.382 1.00 10.00 H new ATOM 0 HA ASP A 81 -7.338 -1.360 -6.777 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -7.721 0.665 -5.639 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -6.352 0.879 -6.712 1.00 10.00 H new ATOM 1289 N ASN A 82 -9.822 -1.072 -6.212 1.00 10.00 N ATOM 1290 CA ASN A 82 -11.239 -1.372 -6.009 1.00 10.00 C ATOM 1291 C ASN A 82 -12.164 -0.226 -6.434 1.00 10.00 C ATOM 1292 O ASN A 82 -13.362 -0.440 -6.594 1.00 10.00 O ATOM 1293 CB ASN A 82 -11.516 -1.729 -4.541 1.00 10.00 C ATOM 1294 CG ASN A 82 -11.574 -0.499 -3.635 1.00 10.00 C ATOM 1295 OD1 ASN A 82 -10.559 -0.065 -3.102 1.00 10.00 O ATOM 1296 ND2 ASN A 82 -12.748 0.092 -3.459 1.00 10.00 N ATOM 0 H ASN A 82 -9.288 -1.037 -5.344 1.00 10.00 H new ATOM 0 HA ASN A 82 -11.458 -2.226 -6.649 1.00 10.00 H new ATOM 0 HB2 ASN A 82 -12.461 -2.269 -4.475 1.00 10.00 H new ATOM 0 HB3 ASN A 82 -10.738 -2.403 -4.182 1.00 10.00 H new ATOM 0 HD21 ASN A 82 -12.818 0.923 -2.872 1.00 10.00 H new ATOM 0 HD22 ASN A 82 -13.581 -0.284 -3.911 1.00 10.00 H new ATOM 1303 N ASN A 83 -11.620 0.985 -6.589 1.00 10.00 N ATOM 1304 CA ASN A 83 -12.318 2.168 -7.056 1.00 10.00 C ATOM 1305 C ASN A 83 -12.269 2.279 -8.587 1.00 10.00 C ATOM 1306 O ASN A 83 -12.695 3.284 -9.149 1.00 10.00 O ATOM 1307 CB ASN A 83 -11.731 3.412 -6.370 1.00 10.00 C ATOM 1308 CG ASN A 83 -12.747 4.549 -6.278 1.00 10.00 C ATOM 1309 OD1 ASN A 83 -13.935 4.325 -6.076 1.00 10.00 O ATOM 1310 ND2 ASN A 83 -12.300 5.791 -6.360 1.00 10.00 N ATOM 0 H ASN A 83 -10.638 1.166 -6.381 1.00 10.00 H new ATOM 0 HA ASN A 83 -13.371 2.090 -6.787 1.00 10.00 H new ATOM 0 HB2 ASN A 83 -11.392 3.147 -5.369 1.00 10.00 H new ATOM 0 HB3 ASN A 83 -10.856 3.752 -6.924 1.00 10.00 H new ATOM 0 HD21 ASN A 83 -12.946 6.573 -6.255 1.00 10.00 H new ATOM 0 HD22 ASN A 83 -11.309 5.966 -6.528 1.00 10.00 H new ATOM 1317 N SER A 84 -11.741 1.248 -9.263 1.00 10.00 N ATOM 1318 CA SER A 84 -11.586 1.150 -10.707 1.00 10.00 C ATOM 1319 C SER A 84 -10.740 2.276 -11.311 1.00 10.00 C ATOM 1320 O SER A 84 -10.989 2.698 -12.440 1.00 10.00 O ATOM 1321 CB SER A 84 -12.954 0.969 -11.379 1.00 10.00 C ATOM 1322 OG SER A 84 -13.619 -0.145 -10.812 1.00 10.00 O ATOM 0 H SER A 84 -11.394 0.418 -8.782 1.00 10.00 H new ATOM 0 HA SER A 84 -11.002 0.254 -10.917 1.00 10.00 H new ATOM 0 HB2 SER A 84 -13.556 1.869 -11.250 1.00 10.00 H new ATOM 0 HB3 SER A 84 -12.827 0.822 -12.452 1.00 10.00 H new ATOM 0 HG SER A 84 -14.493 -0.258 -11.241 1.00 10.00 H new ATOM 1328 N ARG A 85 -9.686 2.706 -10.602 1.00 10.00 N ATOM 1329 CA ARG A 85 -8.569 3.415 -11.215 1.00 10.00 C ATOM 1330 C ARG A 85 -7.301 2.576 -11.048 1.00 10.00 C ATOM 1331 O ARG A 85 -7.303 1.559 -10.366 1.00 10.00 O ATOM 1332 CB ARG A 85 -8.429 4.857 -10.721 1.00 10.00 C ATOM 1333 CG ARG A 85 -9.727 5.659 -10.916 1.00 10.00 C ATOM 1334 CD ARG A 85 -9.494 7.171 -10.793 1.00 10.00 C ATOM 1335 NE ARG A 85 -9.261 7.787 -12.109 1.00 10.00 N ATOM 1336 CZ ARG A 85 -8.105 8.223 -12.627 1.00 10.00 C ATOM 1337 NH1 ARG A 85 -6.963 8.104 -11.952 1.00 10.00 N ATOM 1338 NH2 ARG A 85 -8.106 8.797 -13.828 1.00 10.00 N ATOM 0 H ARG A 85 -9.590 2.570 -9.596 1.00 10.00 H new ATOM 0 HA ARG A 85 -8.762 3.531 -12.281 1.00 10.00 H new ATOM 0 HB2 ARG A 85 -8.159 4.854 -9.665 1.00 10.00 H new ATOM 0 HB3 ARG A 85 -7.616 5.347 -11.257 1.00 10.00 H new ATOM 0 HG2 ARG A 85 -10.147 5.436 -11.897 1.00 10.00 H new ATOM 0 HG3 ARG A 85 -10.462 5.344 -10.175 1.00 10.00 H new ATOM 0 HD2 ARG A 85 -10.358 7.637 -10.320 1.00 10.00 H new ATOM 0 HD3 ARG A 85 -8.637 7.357 -10.146 1.00 10.00 H new ATOM 0 HE ARG A 85 -10.084 7.896 -12.702 1.00 10.00 H new ATOM 0 HH11 ARG A 85 -6.960 7.676 -11.026 1.00 10.00 H new ATOM 0 HH12 ARG A 85 -6.091 8.441 -12.361 1.00 10.00 H new ATOM 0 HH21 ARG A 85 -8.980 8.901 -14.343 1.00 10.00 H new ATOM 0 HH22 ARG A 85 -7.232 9.133 -14.233 1.00 10.00 H new ATOM 1352 N LEU A 86 -6.256 3.084 -11.676 1.00 10.00 N ATOM 1353 CA LEU A 86 -5.129 2.245 -12.045 1.00 10.00 C ATOM 1354 C LEU A 86 -3.833 2.978 -11.750 1.00 10.00 C ATOM 1355 O LEU A 86 -3.639 4.140 -12.116 1.00 10.00 O ATOM 1356 CB LEU A 86 -5.357 1.926 -13.557 1.00 10.00 C ATOM 1357 CG LEU A 86 -4.857 0.549 -14.019 1.00 10.00 C ATOM 1358 CD1 LEU A 86 -5.184 0.366 -15.506 1.00 10.00 C ATOM 1359 CD2 LEU A 86 -3.361 0.365 -13.810 1.00 10.00 C ATOM 0 H LEU A 86 -6.164 4.065 -11.940 1.00 10.00 H new ATOM 0 HA LEU A 86 -5.055 1.315 -11.481 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -6.424 1.997 -13.770 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -4.861 2.693 -14.152 1.00 10.00 H new ATOM 0 HG LEU A 86 -5.365 -0.201 -13.412 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -4.831 -0.610 -15.839 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -6.262 0.431 -15.652 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -4.692 1.147 -16.086 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -3.065 -0.626 -14.154 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -2.819 1.123 -14.375 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -3.127 0.466 -12.750 1.00 10.00 H new ATOM 1371 N TRP A 87 -2.978 2.294 -11.001 1.00 10.00 N ATOM 1372 CA TRP A 87 -1.732 2.732 -10.408 1.00 10.00 C ATOM 1373 C TRP A 87 -0.578 2.005 -11.085 1.00 10.00 C ATOM 1374 O TRP A 87 -0.449 0.794 -10.954 1.00 10.00 O ATOM 1375 CB TRP A 87 -1.741 2.395 -8.917 1.00 10.00 C ATOM 1376 CG TRP A 87 -2.819 3.025 -8.096 1.00 10.00 C ATOM 1377 CD1 TRP A 87 -4.152 2.773 -8.153 1.00 10.00 C ATOM 1378 CD2 TRP A 87 -2.641 4.027 -7.058 1.00 10.00 C ATOM 1379 NE1 TRP A 87 -4.794 3.548 -7.213 1.00 10.00 N ATOM 1380 CE2 TRP A 87 -3.916 4.344 -6.517 1.00 10.00 C ATOM 1381 CE3 TRP A 87 -1.528 4.701 -6.519 1.00 10.00 C ATOM 1382 CZ2 TRP A 87 -4.076 5.278 -5.493 1.00 10.00 C ATOM 1383 CZ3 TRP A 87 -1.678 5.654 -5.498 1.00 10.00 C ATOM 1384 CH2 TRP A 87 -2.948 5.933 -4.978 1.00 10.00 C ATOM 0 H TRP A 87 -3.165 1.317 -10.773 1.00 10.00 H new ATOM 0 HA TRP A 87 -1.615 3.808 -10.538 1.00 10.00 H new ATOM 0 HB2 TRP A 87 -1.821 1.313 -8.813 1.00 10.00 H new ATOM 0 HB3 TRP A 87 -0.778 2.685 -8.496 1.00 10.00 H new ATOM 0 HD1 TRP A 87 -4.631 2.078 -8.826 1.00 10.00 H new ATOM 0 HE1 TRP A 87 -5.801 3.533 -7.052 1.00 10.00 H new ATOM 0 HE3 TRP A 87 -0.541 4.481 -6.898 1.00 10.00 H new ATOM 0 HZ2 TRP A 87 -5.059 5.494 -5.101 1.00 10.00 H new ATOM 0 HZ3 TRP A 87 -0.812 6.173 -5.113 1.00 10.00 H new ATOM 0 HH2 TRP A 87 -3.059 6.653 -4.180 1.00 10.00 H new ATOM 1395 N GLN A 88 0.268 2.719 -11.813 1.00 10.00 N ATOM 1396 CA GLN A 88 1.394 2.144 -12.512 1.00 10.00 C ATOM 1397 C GLN A 88 2.511 1.908 -11.503 1.00 10.00 C ATOM 1398 O GLN A 88 2.786 2.773 -10.673 1.00 10.00 O ATOM 1399 CB GLN A 88 1.810 3.099 -13.640 1.00 10.00 C ATOM 1400 CG GLN A 88 3.000 2.579 -14.456 1.00 10.00 C ATOM 1401 CD GLN A 88 3.274 3.473 -15.659 1.00 10.00 C ATOM 1402 OE1 GLN A 88 2.633 3.334 -16.698 1.00 10.00 O ATOM 1403 NE2 GLN A 88 4.212 4.404 -15.538 1.00 10.00 N ATOM 0 H GLN A 88 0.185 3.729 -11.933 1.00 10.00 H new ATOM 0 HA GLN A 88 1.145 1.186 -12.968 1.00 10.00 H new ATOM 0 HB2 GLN A 88 0.962 3.258 -14.306 1.00 10.00 H new ATOM 0 HB3 GLN A 88 2.066 4.068 -13.212 1.00 10.00 H new ATOM 0 HG2 GLN A 88 3.886 2.534 -13.823 1.00 10.00 H new ATOM 0 HG3 GLN A 88 2.797 1.563 -14.793 1.00 10.00 H new ATOM 0 HE21 GLN A 88 4.729 4.497 -14.663 1.00 10.00 H new ATOM 0 HE22 GLN A 88 4.416 5.027 -16.320 1.00 10.00 H new ATOM 1412 N ILE A 89 3.168 0.753 -11.570 1.00 10.00 N ATOM 1413 CA ILE A 89 4.349 0.507 -10.757 1.00 10.00 C ATOM 1414 C ILE A 89 5.461 1.419 -11.267 1.00 10.00 C ATOM 1415 O ILE A 89 5.703 1.532 -12.470 1.00 10.00 O ATOM 1416 CB ILE A 89 4.767 -0.980 -10.748 1.00 10.00 C ATOM 1417 CG1 ILE A 89 3.622 -1.811 -10.130 1.00 10.00 C ATOM 1418 CG2 ILE A 89 6.071 -1.172 -9.955 1.00 10.00 C ATOM 1419 CD1 ILE A 89 4.011 -3.241 -9.761 1.00 10.00 C ATOM 0 H ILE A 89 2.902 -0.022 -12.177 1.00 10.00 H new ATOM 0 HA ILE A 89 4.129 0.737 -9.715 1.00 10.00 H new ATOM 0 HB ILE A 89 4.951 -1.316 -11.768 1.00 10.00 H new ATOM 0 HG12 ILE A 89 3.262 -1.303 -9.236 1.00 10.00 H new ATOM 0 HG13 ILE A 89 2.791 -1.843 -10.835 1.00 10.00 H new ATOM 0 HG21 ILE A 89 6.348 -2.226 -9.961 1.00 10.00 H new ATOM 0 HG22 ILE A 89 6.866 -0.585 -10.415 1.00 10.00 H new ATOM 0 HG23 ILE A 89 5.924 -0.841 -8.927 1.00 10.00 H new ATOM 0 HD11 ILE A 89 3.149 -3.754 -9.334 1.00 10.00 H new ATOM 0 HD12 ILE A 89 4.342 -3.770 -10.655 1.00 10.00 H new ATOM 0 HD13 ILE A 89 4.820 -3.221 -9.031 1.00 10.00 H new ATOM 1431 N GLN A 90 6.162 2.049 -10.330 1.00 10.00 N ATOM 1432 CA GLN A 90 7.391 2.815 -10.560 1.00 10.00 C ATOM 1433 C GLN A 90 8.627 2.040 -9.926 1.00 10.00 C ATOM 1434 O GLN A 90 9.729 2.282 -10.331 1.00 10.00 O ATOM 1435 CB GLN A 90 7.242 4.257 -10.277 1.00 10.00 C ATOM 1436 CG GLN A 90 6.167 4.940 -11.146 1.00 10.00 C ATOM 1437 CD GLN A 90 6.562 5.071 -12.619 1.00 10.00 C ATOM 1438 OE1 GLN A 90 7.044 6.112 -13.044 1.00 10.00 O ATOM 1439 NE2 GLN A 90 6.364 4.046 -13.444 1.00 10.00 N ATOM 0 H GLN A 90 5.882 2.042 -9.349 1.00 10.00 H new ATOM 0 HA GLN A 90 7.622 2.862 -11.624 1.00 10.00 H new ATOM 0 HB2 GLN A 90 6.988 4.390 -9.225 1.00 10.00 H new ATOM 0 HB3 GLN A 90 8.199 4.753 -10.438 1.00 10.00 H new ATOM 0 HG2 GLN A 90 5.240 4.371 -11.076 1.00 10.00 H new ATOM 0 HG3 GLN A 90 5.963 5.932 -10.744 1.00 10.00 H new ATOM 0 HE21 GLN A 90 5.962 3.177 -13.091 1.00 10.00 H new ATOM 0 HE22 GLN A 90 6.614 4.129 -14.429 1.00 10.00 H new ATOM 1448 N HIS A 91 8.301 1.220 -8.917 1.00 10.00 N ATOM 1449 CA HIS A 91 9.169 0.078 -8.619 1.00 10.00 C ATOM 1450 C HIS A 91 8.416 -0.897 -7.665 1.00 10.00 C ATOM 1451 O HIS A 91 7.532 -0.459 -6.986 1.00 10.00 O ATOM 1452 CB HIS A 91 10.543 0.374 -7.954 1.00 10.00 C ATOM 1453 CG HIS A 91 10.532 1.002 -6.576 1.00 10.00 C ATOM 1454 ND1 HIS A 91 11.177 2.169 -6.229 1.00 10.00 N ATOM 1455 CD2 HIS A 91 10.051 0.446 -5.419 1.00 10.00 C ATOM 1456 CE1 HIS A 91 11.071 2.311 -4.895 1.00 10.00 C ATOM 1457 NE2 HIS A 91 10.390 1.288 -4.360 1.00 10.00 N ATOM 0 H HIS A 91 7.481 1.319 -8.319 1.00 10.00 H new ATOM 0 HA HIS A 91 9.395 -0.328 -9.605 1.00 10.00 H new ATOM 0 HB2 HIS A 91 11.096 -0.564 -7.892 1.00 10.00 H new ATOM 0 HB3 HIS A 91 11.104 1.031 -8.619 1.00 10.00 H new ATOM 0 HD1 HIS A 91 11.649 2.809 -6.867 1.00 10.00 H new ATOM 0 HD2 HIS A 91 9.505 -0.482 -5.341 1.00 10.00 H new ATOM 0 HE1 HIS A 91 11.479 3.137 -4.332 1.00 10.00 H new ATOM 1465 N HIS A 92 8.805 -2.173 -7.800 1.00 10.00 N ATOM 1466 CA HIS A 92 8.615 -3.097 -6.662 1.00 10.00 C ATOM 1467 C HIS A 92 10.129 -3.497 -6.387 1.00 10.00 C ATOM 1468 O HIS A 92 10.816 -3.894 -7.337 1.00 10.00 O ATOM 1469 CB HIS A 92 7.863 -4.362 -6.960 1.00 10.00 C ATOM 1470 CG HIS A 92 7.854 -5.349 -5.810 1.00 10.00 C ATOM 1471 ND1 HIS A 92 8.216 -6.677 -5.877 1.00 10.00 N ATOM 1472 CD2 HIS A 92 7.508 -5.086 -4.509 1.00 10.00 C ATOM 1473 CE1 HIS A 92 8.048 -7.203 -4.651 1.00 10.00 C ATOM 1474 NE2 HIS A 92 7.620 -6.275 -3.779 1.00 10.00 N ATOM 0 H HIS A 92 9.230 -2.577 -8.634 1.00 10.00 H new ATOM 0 HA HIS A 92 8.035 -2.628 -5.867 1.00 10.00 H new ATOM 0 HB2 HIS A 92 6.835 -4.111 -7.220 1.00 10.00 H new ATOM 0 HB3 HIS A 92 8.305 -4.840 -7.834 1.00 10.00 H new ATOM 0 HD1 HIS A 92 8.550 -7.170 -6.705 1.00 10.00 H new ATOM 0 HD2 HIS A 92 7.202 -4.128 -4.116 1.00 10.00 H new ATOM 0 HE1 HIS A 92 8.233 -8.237 -4.400 1.00 10.00 H new ATOM 1482 N LEU A 93 10.619 -3.394 -5.152 1.00 10.00 N ATOM 1483 CA LEU A 93 11.936 -3.905 -4.784 1.00 10.00 C ATOM 1484 C LEU A 93 11.972 -4.277 -3.306 1.00 10.00 C ATOM 1485 O LEU A 93 10.976 -4.103 -2.604 1.00 10.00 O ATOM 1486 CB LEU A 93 13.051 -2.921 -5.207 1.00 10.00 C ATOM 1487 CG LEU A 93 12.969 -1.497 -4.611 1.00 10.00 C ATOM 1488 CD1 LEU A 93 13.508 -1.401 -3.179 1.00 10.00 C ATOM 1489 CD2 LEU A 93 13.766 -0.527 -5.495 1.00 10.00 C ATOM 0 H LEU A 93 10.115 -2.955 -4.382 1.00 10.00 H new ATOM 0 HA LEU A 93 12.131 -4.825 -5.334 1.00 10.00 H new ATOM 0 HB2 LEU A 93 14.012 -3.353 -4.930 1.00 10.00 H new ATOM 0 HB3 LEU A 93 13.040 -2.838 -6.294 1.00 10.00 H new ATOM 0 HG LEU A 93 11.911 -1.237 -4.580 1.00 10.00 H new ATOM 0 HD11 LEU A 93 13.419 -0.374 -2.825 1.00 10.00 H new ATOM 0 HD12 LEU A 93 12.933 -2.060 -2.529 1.00 10.00 H new ATOM 0 HD13 LEU A 93 14.556 -1.701 -3.164 1.00 10.00 H new ATOM 0 HD21 LEU A 93 13.709 0.478 -5.076 1.00 10.00 H new ATOM 0 HD22 LEU A 93 14.808 -0.845 -5.536 1.00 10.00 H new ATOM 0 HD23 LEU A 93 13.348 -0.525 -6.501 1.00 10.00 H new ATOM 1501 N MET A 94 13.110 -4.794 -2.829 1.00 10.00 N ATOM 1502 CA MET A 94 13.301 -5.150 -1.433 1.00 10.00 C ATOM 1503 C MET A 94 14.736 -4.868 -1.012 1.00 10.00 C ATOM 1504 O MET A 94 15.660 -5.020 -1.811 1.00 10.00 O ATOM 1505 CB MET A 94 12.908 -6.619 -1.245 1.00 10.00 C ATOM 1506 CG MET A 94 12.788 -7.051 0.216 1.00 10.00 C ATOM 1507 SD MET A 94 12.218 -8.752 0.449 1.00 10.00 S ATOM 1508 CE MET A 94 13.701 -9.623 -0.101 1.00 10.00 C ATOM 0 H MET A 94 13.927 -4.976 -3.412 1.00 10.00 H new ATOM 0 HA MET A 94 12.664 -4.544 -0.789 1.00 10.00 H new ATOM 0 HB2 MET A 94 11.955 -6.796 -1.744 1.00 10.00 H new ATOM 0 HB3 MET A 94 13.648 -7.248 -1.739 1.00 10.00 H new ATOM 0 HG2 MET A 94 13.760 -6.937 0.697 1.00 10.00 H new ATOM 0 HG3 MET A 94 12.100 -6.377 0.726 1.00 10.00 H new ATOM 0 HE1 MET A 94 13.602 -10.686 0.120 1.00 10.00 H new ATOM 0 HE2 MET A 94 13.826 -9.485 -1.175 1.00 10.00 H new ATOM 0 HE3 MET A 94 14.571 -9.224 0.420 1.00 10.00 H new ATOM 1518 N VAL A 95 14.907 -4.458 0.247 1.00 10.00 N ATOM 1519 CA VAL A 95 16.176 -4.060 0.838 1.00 10.00 C ATOM 1520 C VAL A 95 16.198 -4.557 2.278 1.00 10.00 C ATOM 1521 O VAL A 95 15.367 -4.151 3.087 1.00 10.00 O ATOM 1522 CB VAL A 95 16.389 -2.528 0.768 1.00 10.00 C ATOM 1523 CG1 VAL A 95 17.790 -2.151 1.277 1.00 10.00 C ATOM 1524 CG2 VAL A 95 16.228 -1.966 -0.651 1.00 10.00 C ATOM 0 H VAL A 95 14.130 -4.393 0.905 1.00 10.00 H new ATOM 0 HA VAL A 95 16.997 -4.504 0.275 1.00 10.00 H new ATOM 0 HB VAL A 95 15.617 -2.091 1.401 1.00 10.00 H new ATOM 0 HG11 VAL A 95 17.919 -1.070 1.219 1.00 10.00 H new ATOM 0 HG12 VAL A 95 17.901 -2.475 2.312 1.00 10.00 H new ATOM 0 HG13 VAL A 95 18.545 -2.640 0.661 1.00 10.00 H new ATOM 0 HG21 VAL A 95 16.389 -0.888 -0.636 1.00 10.00 H new ATOM 0 HG22 VAL A 95 16.958 -2.433 -1.312 1.00 10.00 H new ATOM 0 HG23 VAL A 95 15.222 -2.178 -1.014 1.00 10.00 H new ATOM 1534 N ARG A 96 17.123 -5.472 2.589 1.00 10.00 N ATOM 1535 CA ARG A 96 17.238 -6.148 3.884 1.00 10.00 C ATOM 1536 C ARG A 96 15.901 -6.710 4.387 1.00 10.00 C ATOM 1537 O ARG A 96 15.665 -6.804 5.589 1.00 10.00 O ATOM 1538 CB ARG A 96 17.959 -5.244 4.907 1.00 10.00 C ATOM 1539 CG ARG A 96 19.331 -4.690 4.469 1.00 10.00 C ATOM 1540 CD ARG A 96 20.402 -5.762 4.217 1.00 10.00 C ATOM 1541 NE ARG A 96 20.240 -6.420 2.907 1.00 10.00 N ATOM 1542 CZ ARG A 96 20.353 -7.731 2.650 1.00 10.00 C ATOM 1543 NH1 ARG A 96 20.725 -8.578 3.609 1.00 10.00 N ATOM 1544 NH2 ARG A 96 20.085 -8.192 1.429 1.00 10.00 N ATOM 0 H ARG A 96 17.835 -5.772 1.923 1.00 10.00 H new ATOM 0 HA ARG A 96 17.863 -7.030 3.746 1.00 10.00 H new ATOM 0 HB2 ARG A 96 17.307 -4.402 5.142 1.00 10.00 H new ATOM 0 HB3 ARG A 96 18.095 -5.809 5.829 1.00 10.00 H new ATOM 0 HG2 ARG A 96 19.199 -4.106 3.558 1.00 10.00 H new ATOM 0 HG3 ARG A 96 19.694 -4.006 5.236 1.00 10.00 H new ATOM 0 HD2 ARG A 96 21.390 -5.305 4.271 1.00 10.00 H new ATOM 0 HD3 ARG A 96 20.354 -6.512 5.006 1.00 10.00 H new ATOM 0 HE ARG A 96 20.019 -5.816 2.115 1.00 10.00 H new ATOM 0 HH11 ARG A 96 20.926 -8.230 4.547 1.00 10.00 H new ATOM 0 HH12 ARG A 96 20.809 -9.574 3.405 1.00 10.00 H new ATOM 0 HH21 ARG A 96 19.795 -7.548 0.693 1.00 10.00 H new ATOM 0 HH22 ARG A 96 20.170 -9.189 1.230 1.00 10.00 H new ATOM 1558 N GLY A 97 15.028 -7.093 3.451 1.00 10.00 N ATOM 1559 CA GLY A 97 13.724 -7.671 3.718 1.00 10.00 C ATOM 1560 C GLY A 97 12.593 -6.643 3.817 1.00 10.00 C ATOM 1561 O GLY A 97 11.429 -7.037 3.813 1.00 10.00 O ATOM 0 H GLY A 97 15.224 -7.003 2.454 1.00 10.00 H new ATOM 0 HA2 GLY A 97 13.485 -8.383 2.928 1.00 10.00 H new ATOM 0 HA3 GLY A 97 13.772 -8.234 4.650 1.00 10.00 H new ATOM 1565 N VAL A 98 12.899 -5.339 3.832 1.00 10.00 N ATOM 1566 CA VAL A 98 11.896 -4.292 3.680 1.00 10.00 C ATOM 1567 C VAL A 98 11.580 -4.236 2.193 1.00 10.00 C ATOM 1568 O VAL A 98 12.419 -3.801 1.402 1.00 10.00 O ATOM 1569 CB VAL A 98 12.417 -2.931 4.184 1.00 10.00 C ATOM 1570 CG1 VAL A 98 11.459 -1.770 3.866 1.00 10.00 C ATOM 1571 CG2 VAL A 98 12.632 -2.955 5.701 1.00 10.00 C ATOM 0 H VAL A 98 13.849 -4.987 3.950 1.00 10.00 H new ATOM 0 HA VAL A 98 11.008 -4.510 4.273 1.00 10.00 H new ATOM 0 HB VAL A 98 13.359 -2.766 3.660 1.00 10.00 H new ATOM 0 HG11 VAL A 98 11.879 -0.838 4.245 1.00 10.00 H new ATOM 0 HG12 VAL A 98 11.324 -1.695 2.787 1.00 10.00 H new ATOM 0 HG13 VAL A 98 10.495 -1.953 4.341 1.00 10.00 H new ATOM 0 HG21 VAL A 98 13.000 -1.984 6.032 1.00 10.00 H new ATOM 0 HG22 VAL A 98 11.687 -3.174 6.199 1.00 10.00 H new ATOM 0 HG23 VAL A 98 13.362 -3.724 5.953 1.00 10.00 H new ATOM 1581 N GLN A 99 10.401 -4.718 1.800 1.00 10.00 N ATOM 1582 CA GLN A 99 9.896 -4.487 0.456 1.00 10.00 C ATOM 1583 C GLN A 99 9.484 -3.018 0.364 1.00 10.00 C ATOM 1584 O GLN A 99 8.987 -2.448 1.334 1.00 10.00 O ATOM 1585 CB GLN A 99 8.729 -5.421 0.101 1.00 10.00 C ATOM 1586 CG GLN A 99 9.113 -6.906 0.130 1.00 10.00 C ATOM 1587 CD GLN A 99 7.924 -7.838 -0.112 1.00 10.00 C ATOM 1588 OE1 GLN A 99 7.606 -8.676 0.728 1.00 10.00 O ATOM 1589 NE2 GLN A 99 7.250 -7.748 -1.252 1.00 10.00 N ATOM 0 H GLN A 99 9.782 -5.269 2.395 1.00 10.00 H new ATOM 0 HA GLN A 99 10.678 -4.710 -0.270 1.00 10.00 H new ATOM 0 HB2 GLN A 99 7.910 -5.250 0.800 1.00 10.00 H new ATOM 0 HB3 GLN A 99 8.358 -5.168 -0.892 1.00 10.00 H new ATOM 0 HG2 GLN A 99 9.874 -7.093 -0.628 1.00 10.00 H new ATOM 0 HG3 GLN A 99 9.560 -7.141 1.096 1.00 10.00 H new ATOM 0 HE21 GLN A 99 7.516 -7.051 -1.948 1.00 10.00 H new ATOM 0 HE22 GLN A 99 6.466 -8.375 -1.432 1.00 10.00 H new ATOM 1598 N GLU A 100 9.664 -2.397 -0.796 1.00 10.00 N ATOM 1599 CA GLU A 100 9.076 -1.111 -1.120 1.00 10.00 C ATOM 1600 C GLU A 100 8.453 -1.233 -2.512 1.00 10.00 C ATOM 1601 O GLU A 100 8.901 -2.024 -3.349 1.00 10.00 O ATOM 1602 CB GLU A 100 10.137 -0.008 -1.017 1.00 10.00 C ATOM 1603 CG GLU A 100 9.513 1.397 -1.001 1.00 10.00 C ATOM 1604 CD GLU A 100 10.560 2.474 -0.725 1.00 10.00 C ATOM 1605 OE1 GLU A 100 11.153 2.410 0.376 1.00 10.00 O ATOM 1606 OE2 GLU A 100 10.730 3.373 -1.582 1.00 10.00 O ATOM 0 H GLU A 100 10.234 -2.784 -1.549 1.00 10.00 H new ATOM 0 HA GLU A 100 8.292 -0.830 -0.416 1.00 10.00 H new ATOM 0 HB2 GLU A 100 10.724 -0.154 -0.110 1.00 10.00 H new ATOM 0 HB3 GLU A 100 10.826 -0.089 -1.858 1.00 10.00 H new ATOM 0 HG2 GLU A 100 9.032 1.593 -1.959 1.00 10.00 H new ATOM 0 HG3 GLU A 100 8.735 1.441 -0.239 1.00 10.00 H new ATOM 1613 N LEU A 101 7.393 -0.468 -2.745 1.00 10.00 N ATOM 1614 CA LEU A 101 6.536 -0.546 -3.901 1.00 10.00 C ATOM 1615 C LEU A 101 6.031 0.857 -4.194 1.00 10.00 C ATOM 1616 O LEU A 101 5.268 1.412 -3.404 1.00 10.00 O ATOM 1617 CB LEU A 101 5.413 -1.530 -3.567 1.00 10.00 C ATOM 1618 CG LEU A 101 4.399 -1.791 -4.679 1.00 10.00 C ATOM 1619 CD1 LEU A 101 5.002 -2.522 -5.868 1.00 10.00 C ATOM 1620 CD2 LEU A 101 3.330 -2.713 -4.107 1.00 10.00 C ATOM 0 H LEU A 101 7.101 0.259 -2.092 1.00 10.00 H new ATOM 0 HA LEU A 101 7.045 -0.907 -4.795 1.00 10.00 H new ATOM 0 HB2 LEU A 101 5.863 -2.481 -3.282 1.00 10.00 H new ATOM 0 HB3 LEU A 101 4.877 -1.157 -2.694 1.00 10.00 H new ATOM 0 HG LEU A 101 4.021 -0.826 -5.018 1.00 10.00 H new ATOM 0 HD11 LEU A 101 4.234 -2.679 -6.626 1.00 10.00 H new ATOM 0 HD12 LEU A 101 5.811 -1.926 -6.290 1.00 10.00 H new ATOM 0 HD13 LEU A 101 5.393 -3.486 -5.542 1.00 10.00 H new ATOM 0 HD21 LEU A 101 2.584 -2.924 -4.873 1.00 10.00 H new ATOM 0 HD22 LEU A 101 3.790 -3.646 -3.782 1.00 10.00 H new ATOM 0 HD23 LEU A 101 2.850 -2.229 -3.256 1.00 10.00 H new ATOM 1632 N LEU A 102 6.482 1.448 -5.301 1.00 10.00 N ATOM 1633 CA LEU A 102 5.971 2.720 -5.759 1.00 10.00 C ATOM 1634 C LEU A 102 4.836 2.434 -6.718 1.00 10.00 C ATOM 1635 O LEU A 102 5.038 1.761 -7.733 1.00 10.00 O ATOM 1636 CB LEU A 102 7.011 3.571 -6.483 1.00 10.00 C ATOM 1637 CG LEU A 102 8.194 4.090 -5.655 1.00 10.00 C ATOM 1638 CD1 LEU A 102 9.136 4.895 -6.560 1.00 10.00 C ATOM 1639 CD2 LEU A 102 7.736 4.963 -4.488 1.00 10.00 C ATOM 0 H LEU A 102 7.209 1.052 -5.897 1.00 10.00 H new ATOM 0 HA LEU A 102 5.656 3.287 -4.883 1.00 10.00 H new ATOM 0 HB2 LEU A 102 7.410 2.985 -7.311 1.00 10.00 H new ATOM 0 HB3 LEU A 102 6.501 4.430 -6.918 1.00 10.00 H new ATOM 0 HG LEU A 102 8.714 3.227 -5.239 1.00 10.00 H new ATOM 0 HD11 LEU A 102 9.977 5.264 -5.973 1.00 10.00 H new ATOM 0 HD12 LEU A 102 9.506 4.255 -7.361 1.00 10.00 H new ATOM 0 HD13 LEU A 102 8.595 5.738 -6.990 1.00 10.00 H new ATOM 0 HD21 LEU A 102 8.606 5.309 -3.929 1.00 10.00 H new ATOM 0 HD22 LEU A 102 7.186 5.822 -4.871 1.00 10.00 H new ATOM 0 HD23 LEU A 102 7.090 4.382 -3.830 1.00 10.00 H new ATOM 1651 N LEU A 103 3.670 2.978 -6.395 1.00 10.00 N ATOM 1652 CA LEU A 103 2.426 2.823 -7.107 1.00 10.00 C ATOM 1653 C LEU A 103 1.984 4.216 -7.527 1.00 10.00 C ATOM 1654 O LEU A 103 1.848 5.082 -6.669 1.00 10.00 O ATOM 1655 CB LEU A 103 1.388 2.233 -6.119 1.00 10.00 C ATOM 1656 CG LEU A 103 1.615 0.763 -5.744 1.00 10.00 C ATOM 1657 CD1 LEU A 103 0.418 0.223 -4.956 1.00 10.00 C ATOM 1658 CD2 LEU A 103 1.837 -0.120 -6.971 1.00 10.00 C ATOM 0 H LEU A 103 3.571 3.576 -5.575 1.00 10.00 H new ATOM 0 HA LEU A 103 2.525 2.171 -7.975 1.00 10.00 H new ATOM 0 HB2 LEU A 103 1.396 2.831 -5.207 1.00 10.00 H new ATOM 0 HB3 LEU A 103 0.395 2.332 -6.557 1.00 10.00 H new ATOM 0 HG LEU A 103 2.516 0.731 -5.132 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.594 -0.821 -4.697 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.290 0.806 -4.044 1.00 10.00 H new ATOM 0 HD13 LEU A 103 -0.483 0.299 -5.565 1.00 10.00 H new ATOM 0 HD21 LEU A 103 1.993 -1.151 -6.654 1.00 10.00 H new ATOM 0 HD22 LEU A 103 0.962 -0.068 -7.620 1.00 10.00 H new ATOM 0 HD23 LEU A 103 2.714 0.229 -7.516 1.00 10.00 H new ATOM 1670 N LYS A 104 1.732 4.453 -8.813 1.00 10.00 N ATOM 1671 CA LYS A 104 1.526 5.784 -9.362 1.00 10.00 C ATOM 1672 C LYS A 104 0.197 5.877 -10.085 1.00 10.00 C ATOM 1673 O LYS A 104 0.059 5.390 -11.206 1.00 10.00 O ATOM 1674 CB LYS A 104 2.715 6.188 -10.238 1.00 10.00 C ATOM 1675 CG LYS A 104 2.692 7.713 -10.383 1.00 10.00 C ATOM 1676 CD LYS A 104 3.989 8.295 -10.935 1.00 10.00 C ATOM 1677 CE LYS A 104 4.116 8.046 -12.440 1.00 10.00 C ATOM 1678 NZ LYS A 104 5.396 8.544 -12.969 1.00 10.00 N ATOM 0 H LYS A 104 1.665 3.712 -9.510 1.00 10.00 H new ATOM 0 HA LYS A 104 1.476 6.503 -8.544 1.00 10.00 H new ATOM 0 HB2 LYS A 104 3.651 5.861 -9.786 1.00 10.00 H new ATOM 0 HB3 LYS A 104 2.649 5.710 -11.215 1.00 10.00 H new ATOM 0 HG2 LYS A 104 1.869 7.994 -11.040 1.00 10.00 H new ATOM 0 HG3 LYS A 104 2.489 8.159 -9.409 1.00 10.00 H new ATOM 0 HD2 LYS A 104 4.022 9.367 -10.738 1.00 10.00 H new ATOM 0 HD3 LYS A 104 4.839 7.849 -10.418 1.00 10.00 H new ATOM 0 HE2 LYS A 104 4.030 6.978 -12.640 1.00 10.00 H new ATOM 0 HE3 LYS A 104 3.292 8.535 -12.960 1.00 10.00 H new ATOM 0 HZ1 LYS A 104 5.258 8.897 -13.938 1.00 10.00 H new ATOM 0 HZ2 LYS A 104 5.744 9.316 -12.366 1.00 10.00 H new ATOM 0 HZ3 LYS A 104 6.092 7.771 -12.978 1.00 10.00 H new ATOM 1692 N LEU A 105 -0.793 6.459 -9.414 1.00 10.00 N ATOM 1693 CA LEU A 105 -2.146 6.610 -9.906 1.00 10.00 C ATOM 1694 C LEU A 105 -2.125 7.457 -11.175 1.00 10.00 C ATOM 1695 O LEU A 105 -1.744 8.632 -11.142 1.00 10.00 O ATOM 1696 CB LEU A 105 -3.007 7.218 -8.786 1.00 10.00 C ATOM 1697 CG LEU A 105 -4.465 7.531 -9.184 1.00 10.00 C ATOM 1698 CD1 LEU A 105 -5.192 6.291 -9.719 1.00 10.00 C ATOM 1699 CD2 LEU A 105 -5.236 8.071 -7.973 1.00 10.00 C ATOM 0 H LEU A 105 -0.664 6.850 -8.481 1.00 10.00 H new ATOM 0 HA LEU A 105 -2.587 5.650 -10.174 1.00 10.00 H new ATOM 0 HB2 LEU A 105 -3.016 6.530 -7.941 1.00 10.00 H new ATOM 0 HB3 LEU A 105 -2.534 8.138 -8.443 1.00 10.00 H new ATOM 0 HG LEU A 105 -4.429 8.279 -9.976 1.00 10.00 H new ATOM 0 HD11 LEU A 105 -6.215 6.556 -9.987 1.00 10.00 H new ATOM 0 HD12 LEU A 105 -4.671 5.916 -10.600 1.00 10.00 H new ATOM 0 HD13 LEU A 105 -5.207 5.518 -8.950 1.00 10.00 H new ATOM 0 HD21 LEU A 105 -6.264 8.289 -8.264 1.00 10.00 H new ATOM 0 HD22 LEU A 105 -5.234 7.325 -7.178 1.00 10.00 H new ATOM 0 HD23 LEU A 105 -4.759 8.983 -7.615 1.00 10.00 H new ATOM 1711 N LEU A 106 -2.521 6.838 -12.289 1.00 10.00 N ATOM 1712 CA LEU A 106 -2.579 7.474 -13.602 1.00 10.00 C ATOM 1713 C LEU A 106 -3.484 8.722 -13.551 1.00 10.00 C ATOM 1714 O LEU A 106 -4.388 8.768 -12.708 1.00 10.00 O ATOM 1715 CB LEU A 106 -3.049 6.444 -14.649 1.00 10.00 C ATOM 1716 CG LEU A 106 -2.061 5.279 -14.899 1.00 10.00 C ATOM 1717 CD1 LEU A 106 -2.643 4.329 -15.954 1.00 10.00 C ATOM 1718 CD2 LEU A 106 -0.681 5.760 -15.369 1.00 10.00 C ATOM 0 H LEU A 106 -2.816 5.862 -12.301 1.00 10.00 H new ATOM 0 HA LEU A 106 -1.587 7.817 -13.897 1.00 10.00 H new ATOM 0 HB2 LEU A 106 -4.004 6.029 -14.327 1.00 10.00 H new ATOM 0 HB3 LEU A 106 -3.227 6.960 -15.592 1.00 10.00 H new ATOM 0 HG LEU A 106 -1.925 4.767 -13.946 1.00 10.00 H new ATOM 0 HD11 LEU A 106 -1.946 3.509 -16.129 1.00 10.00 H new ATOM 0 HD12 LEU A 106 -3.593 3.929 -15.599 1.00 10.00 H new ATOM 0 HD13 LEU A 106 -2.804 4.873 -16.885 1.00 10.00 H new ATOM 0 HD21 LEU A 106 -0.031 4.900 -15.528 1.00 10.00 H new ATOM 0 HD22 LEU A 106 -0.787 6.313 -16.303 1.00 10.00 H new ATOM 0 HD23 LEU A 106 -0.244 6.410 -14.610 1.00 10.00 H new ATOM 1730 N PRO A 107 -3.249 9.729 -14.422 1.00 10.00 N ATOM 1731 CA PRO A 107 -3.846 11.062 -14.367 1.00 10.00 C ATOM 1732 C PRO A 107 -5.312 11.093 -13.938 1.00 10.00 C ATOM 1733 O PRO A 107 -6.168 10.519 -14.612 1.00 10.00 O ATOM 1734 CB PRO A 107 -3.618 11.670 -15.751 1.00 10.00 C ATOM 1735 CG PRO A 107 -2.258 11.096 -16.133 1.00 10.00 C ATOM 1736 CD PRO A 107 -2.267 9.703 -15.501 1.00 10.00 C ATOM 0 HA PRO A 107 -3.369 11.648 -13.581 1.00 10.00 H new ATOM 0 HB2 PRO A 107 -4.396 11.379 -16.457 1.00 10.00 H new ATOM 0 HB3 PRO A 107 -3.606 12.760 -15.721 1.00 10.00 H new ATOM 0 HG2 PRO A 107 -2.134 11.045 -17.215 1.00 10.00 H new ATOM 0 HG3 PRO A 107 -1.442 11.707 -15.747 1.00 10.00 H new ATOM 0 HD2 PRO A 107 -2.527 8.946 -16.241 1.00 10.00 H new ATOM 0 HD3 PRO A 107 -1.279 9.448 -15.117 1.00 10.00 H new ATOM 1744 N ASP A 108 -5.589 11.741 -12.801 1.00 10.00 N ATOM 1745 CA ASP A 108 -6.900 11.829 -12.179 1.00 10.00 C ATOM 1746 C ASP A 108 -7.348 13.295 -12.126 1.00 10.00 C ATOM 1747 O ASP A 108 -6.539 14.215 -12.267 1.00 10.00 O ATOM 1748 CB ASP A 108 -6.832 11.196 -10.775 1.00 10.00 C ATOM 1749 CG ASP A 108 -8.174 10.686 -10.238 1.00 10.00 C ATOM 1750 OD1 ASP A 108 -9.226 11.033 -10.823 1.00 10.00 O ATOM 1751 OD2 ASP A 108 -8.120 9.960 -9.222 1.00 10.00 O ATOM 0 H ASP A 108 -4.871 12.237 -12.273 1.00 10.00 H new ATOM 0 HA ASP A 108 -7.639 11.281 -12.764 1.00 10.00 H new ATOM 0 HB2 ASP A 108 -6.126 10.366 -10.799 1.00 10.00 H new ATOM 0 HB3 ASP A 108 -6.433 11.933 -10.078 1.00 10.00 H new ATOM 1756 N ASP A 109 -8.641 13.523 -11.891 1.00 10.00 N ATOM 1757 CA ASP A 109 -9.231 14.844 -11.704 1.00 10.00 C ATOM 1758 C ASP A 109 -8.841 15.398 -10.330 1.00 10.00 C ATOM 1759 O ASP A 109 -9.628 15.362 -9.384 1.00 10.00 O ATOM 1760 CB ASP A 109 -10.757 14.781 -11.881 1.00 10.00 C ATOM 1761 CG ASP A 109 -11.415 16.150 -11.680 1.00 10.00 C ATOM 1762 OD1 ASP A 109 -10.765 17.160 -12.033 1.00 10.00 O ATOM 1763 OD2 ASP A 109 -12.575 16.161 -11.214 1.00 10.00 O ATOM 0 H ASP A 109 -9.325 12.769 -11.824 1.00 10.00 H new ATOM 0 HA ASP A 109 -8.844 15.523 -12.463 1.00 10.00 H new ATOM 0 HB2 ASP A 109 -10.991 14.409 -12.878 1.00 10.00 H new ATOM 0 HB3 ASP A 109 -11.176 14.070 -11.169 1.00 10.00 H new ATOM 1768 N ARG A 110 -7.598 15.873 -10.202 1.00 10.00 N ATOM 1769 CA ARG A 110 -7.032 16.321 -8.932 1.00 10.00 C ATOM 1770 C ARG A 110 -7.490 17.731 -8.603 1.00 10.00 C ATOM 1771 O ARG A 110 -6.747 18.707 -8.684 1.00 10.00 O ATOM 1772 CB ARG A 110 -5.517 16.109 -8.903 1.00 10.00 C ATOM 1773 CG ARG A 110 -5.317 14.593 -8.848 1.00 10.00 C ATOM 1774 CD ARG A 110 -3.853 14.183 -8.948 1.00 10.00 C ATOM 1775 NE ARG A 110 -3.743 12.727 -9.129 1.00 10.00 N ATOM 1776 CZ ARG A 110 -3.339 12.090 -10.234 1.00 10.00 C ATOM 1777 NH1 ARG A 110 -3.064 12.785 -11.337 1.00 10.00 N ATOM 1778 NH2 ARG A 110 -3.203 10.765 -10.203 1.00 10.00 N ATOM 0 H ARG A 110 -6.952 15.957 -10.987 1.00 10.00 H new ATOM 0 HA ARG A 110 -7.417 15.703 -8.121 1.00 10.00 H new ATOM 0 HB2 ARG A 110 -5.044 16.535 -9.788 1.00 10.00 H new ATOM 0 HB3 ARG A 110 -5.069 16.596 -8.036 1.00 10.00 H new ATOM 0 HG2 ARG A 110 -5.733 14.210 -7.916 1.00 10.00 H new ATOM 0 HG3 ARG A 110 -5.875 14.128 -9.661 1.00 10.00 H new ATOM 0 HD2 ARG A 110 -3.380 14.697 -9.785 1.00 10.00 H new ATOM 0 HD3 ARG A 110 -3.321 14.486 -8.046 1.00 10.00 H new ATOM 0 HE ARG A 110 -4.001 12.145 -8.332 1.00 10.00 H new ATOM 0 HH11 ARG A 110 -3.162 13.800 -11.338 1.00 10.00 H new ATOM 0 HH12 ARG A 110 -2.756 12.302 -12.181 1.00 10.00 H new ATOM 0 HH21 ARG A 110 -3.406 10.251 -9.345 1.00 10.00 H new ATOM 0 HH22 ARG A 110 -2.896 10.264 -11.037 1.00 10.00 H new ATOM 1792 N SER A 111 -8.756 17.785 -8.210 1.00 10.00 N ATOM 1793 CA SER A 111 -9.405 18.952 -7.633 1.00 10.00 C ATOM 1794 C SER A 111 -8.659 19.426 -6.372 1.00 10.00 C ATOM 1795 O SER A 111 -8.029 18.613 -5.684 1.00 10.00 O ATOM 1796 CB SER A 111 -10.884 18.635 -7.352 1.00 10.00 C ATOM 1797 OG SER A 111 -11.080 17.345 -6.805 1.00 10.00 O ATOM 0 H SER A 111 -9.383 16.984 -8.288 1.00 10.00 H new ATOM 0 HA SER A 111 -9.369 19.777 -8.345 1.00 10.00 H new ATOM 0 HB2 SER A 111 -11.285 19.380 -6.664 1.00 10.00 H new ATOM 0 HB3 SER A 111 -11.450 18.720 -8.279 1.00 10.00 H new ATOM 0 HG SER A 111 -10.594 17.272 -5.957 1.00 10.00 H new ATOM 1803 N PRO A 112 -8.722 20.731 -6.048 1.00 10.00 N ATOM 1804 CA PRO A 112 -8.088 21.280 -4.857 1.00 10.00 C ATOM 1805 C PRO A 112 -8.819 20.821 -3.591 1.00 10.00 C ATOM 1806 O PRO A 112 -10.014 20.516 -3.616 1.00 10.00 O ATOM 1807 CB PRO A 112 -8.148 22.801 -5.034 1.00 10.00 C ATOM 1808 CG PRO A 112 -9.397 23.007 -5.890 1.00 10.00 C ATOM 1809 CD PRO A 112 -9.387 21.783 -6.803 1.00 10.00 C ATOM 0 HA PRO A 112 -7.059 20.938 -4.741 1.00 10.00 H new ATOM 0 HB2 PRO A 112 -8.228 23.314 -4.076 1.00 10.00 H new ATOM 0 HB3 PRO A 112 -7.255 23.184 -5.527 1.00 10.00 H new ATOM 0 HG2 PRO A 112 -10.301 23.051 -5.283 1.00 10.00 H new ATOM 0 HG3 PRO A 112 -9.349 23.936 -6.458 1.00 10.00 H new ATOM 0 HD2 PRO A 112 -10.401 21.489 -7.074 1.00 10.00 H new ATOM 0 HD3 PRO A 112 -8.857 21.992 -7.732 1.00 10.00 H new ATOM 1817 N GLY A 113 -8.098 20.806 -2.466 1.00 10.00 N ATOM 1818 CA GLY A 113 -8.604 20.331 -1.185 1.00 10.00 C ATOM 1819 C GLY A 113 -8.685 18.807 -1.170 1.00 10.00 C ATOM 1820 O GLY A 113 -7.935 18.163 -0.441 1.00 10.00 O ATOM 0 H GLY A 113 -7.132 21.130 -2.424 1.00 10.00 H new ATOM 0 HA2 GLY A 113 -7.953 20.674 -0.381 1.00 10.00 H new ATOM 0 HA3 GLY A 113 -9.591 20.755 -0.998 1.00 10.00 H new ATOM 1824 N ILE A 114 -9.588 18.238 -1.974 1.00 10.00 N ATOM 1825 CA ILE A 114 -9.866 16.819 -2.060 1.00 10.00 C ATOM 1826 C ILE A 114 -10.016 16.384 -3.520 1.00 10.00 C ATOM 1827 O ILE A 114 -10.470 17.150 -4.373 1.00 10.00 O ATOM 1828 CB ILE A 114 -11.126 16.549 -1.212 1.00 10.00 C ATOM 1829 CG1 ILE A 114 -11.357 15.059 -0.876 1.00 10.00 C ATOM 1830 CG2 ILE A 114 -12.415 17.120 -1.836 1.00 10.00 C ATOM 1831 CD1 ILE A 114 -10.222 14.403 -0.081 1.00 10.00 C ATOM 0 H ILE A 114 -10.167 18.788 -2.608 1.00 10.00 H new ATOM 0 HA ILE A 114 -9.041 16.225 -1.667 1.00 10.00 H new ATOM 0 HB ILE A 114 -10.913 17.078 -0.283 1.00 10.00 H new ATOM 0 HG12 ILE A 114 -12.282 14.967 -0.307 1.00 10.00 H new ATOM 0 HG13 ILE A 114 -11.498 14.508 -1.806 1.00 10.00 H new ATOM 0 HG21 ILE A 114 -13.263 16.895 -1.189 1.00 10.00 H new ATOM 0 HG22 ILE A 114 -12.319 18.200 -1.945 1.00 10.00 H new ATOM 0 HG23 ILE A 114 -12.576 16.669 -2.815 1.00 10.00 H new ATOM 0 HD11 ILE A 114 -10.468 13.359 0.110 1.00 10.00 H new ATOM 0 HD12 ILE A 114 -9.297 14.458 -0.655 1.00 10.00 H new ATOM 0 HD13 ILE A 114 -10.093 14.925 0.867 1.00 10.00 H new ATOM 1843 N HIS A 115 -9.676 15.122 -3.784 1.00 10.00 N ATOM 1844 CA HIS A 115 -9.926 14.402 -5.024 1.00 10.00 C ATOM 1845 C HIS A 115 -9.956 12.925 -4.648 1.00 10.00 C ATOM 1846 O HIS A 115 -8.901 12.317 -4.471 1.00 10.00 O ATOM 1847 CB HIS A 115 -8.855 14.719 -6.083 1.00 10.00 C ATOM 1848 CG HIS A 115 -7.449 14.919 -5.565 1.00 10.00 C ATOM 1849 ND1 HIS A 115 -6.869 16.135 -5.276 1.00 10.00 N ATOM 1850 CD2 HIS A 115 -6.510 13.947 -5.348 1.00 10.00 C ATOM 1851 CE1 HIS A 115 -5.606 15.893 -4.886 1.00 10.00 C ATOM 1852 NE2 HIS A 115 -5.340 14.576 -4.914 1.00 10.00 N ATOM 0 H HIS A 115 -9.191 14.546 -3.096 1.00 10.00 H new ATOM 0 HA HIS A 115 -10.870 14.701 -5.481 1.00 10.00 H new ATOM 0 HB2 HIS A 115 -8.841 13.908 -6.811 1.00 10.00 H new ATOM 0 HB3 HIS A 115 -9.156 15.621 -6.617 1.00 10.00 H new ATOM 0 HD1 HIS A 115 -7.316 17.049 -5.345 1.00 10.00 H new ATOM 0 HD2 HIS A 115 -6.648 12.885 -5.487 1.00 10.00 H new ATOM 0 HE1 HIS A 115 -4.900 16.654 -4.590 1.00 10.00 H new TER 1860 HIS A 115 END