USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 911 hydrogens (0 hets) HEADER TRANSCRIPTION REPRESSOR 06-APR-15 2N1L TITLE SOLUTION STRUCTURE OF THE BCOR PUFD COMPND MOL_ID: 1; COMPND 2 MOLECULE: BCL-6 COREPRESSOR; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 1634-1748; COMPND 5 SYNONYM: BCOR; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: BCOR, KIAA1575; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET-30A, PET-3C, PCDF-DUET-1 KEYWDS POLYCOMB, PCG, PRC1, TRANSCRIPTION REPRESSOR EXPDTA SOLUTION NMR AUTHOR S.J.WONG,M.D.GEARHART,D.J.HA,C.M.CORCORAN,V.DIAZ,A.B.TAYLOR,V.SCHIRF, AUTHOR 2 U.ILANGOVAN,A.P.HINCK,B.DEMELER,J.HART,V.J.BARDWELL,C.A.KIM REVDAT 1 06-APR-16 2N1L 0 JRNL AUTH S.J.WONG,M.D.GEARHART,D.J.HA,C.M.CORCORAN,V.DIAZ,A.B.TAYLOR, JRNL AUTH 2 V.SCHIRF,U.ILANGOVAN,A.P.HINCK,B.DEMELER,J.HART, JRNL AUTH 3 V.J.BARDWELL,C.A.KIM JRNL TITL STRUCTURAL BASIS FOR THE HIERARCHICAL ASSEMBLY OF THE CORE JRNL TITL 2 OF PRC1.1 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ARIA REMARK 3 AUTHORS : LINGE, O'DONOGHUE AND NILGES REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2N1L COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-APR-15. REMARK 100 THE RCSB ID CODE IS RCSB104306. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 8 REMARK 210 IONIC STRENGTH : 30 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 3 MM [U-13C; U-15N] BCOR PUFD, REMARK 210 10 MM TRIS, 50 MM SODIUM REMARK 210 CHLORIDE, 1 MM TCEP, 95% H2O/5% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D HNCACB; 3D CBCA(CO)NH; 3D REMARK 210 C(CO)NH; 3D HCCH-TOCSY; 3D HNCO; REMARK 210 3D HN(CO)CA; 3D 1H-15N NOESY; 3D REMARK 210 1H-13C NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, NMRVIEW, TOPSPIN, ARIA REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PHE A 7 75.38 41.89 REMARK 500 GLU A 8 168.09 58.41 REMARK 500 PHE A 11 44.88 154.28 REMARK 500 SER A 12 23.68 -142.88 REMARK 500 GLU A 13 79.91 38.21 REMARK 500 PRO A 18 106.73 -40.75 REMARK 500 VAL A 24 -71.59 -91.28 REMARK 500 LEU A 75 32.18 -81.69 REMARK 500 ASP A 82 -6.88 -58.43 REMARK 500 GLU A 92 21.92 -79.34 REMARK 500 LEU A 93 159.38 44.02 REMARK 500 LEU A 94 -145.50 -99.65 REMARK 500 SER A 110 76.31 46.58 REMARK 500 GLU A 112 89.46 -162.50 REMARK 500 LEU A 114 -165.63 -174.80 REMARK 500 PRO A 116 122.57 -39.93 REMARK 500 SER A 117 53.62 -159.42 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4HPM RELATED DB: PDB REMARK 900 RELATED ID: 25565 RELATED DB: BMRB DBREF 2N1L A 4 118 UNP Q6W2J9 BCOR_HUMAN 1634 1748 SEQADV 2N1L SER A 19 UNP Q6W2J9 CYS 1649 CONFLICT SEQADV 2N1L SER A 52 UNP Q6W2J9 CYS 1682 CONFLICT SEQADV 2N1L SER A 79 UNP Q6W2J9 CYS 1709 CONFLICT SEQRES 1 A 115 SER ASP VAL PHE GLU PHE GLU PHE SER GLU THR PRO LEU SEQRES 2 A 115 LEU PRO SER TYR ASN ILE GLN VAL SER VAL ALA GLN GLY SEQRES 3 A 115 PRO ARG ASN TRP LEU LEU LEU SER ASP VAL LEU LYS LYS SEQRES 4 A 115 LEU LYS MET SER SER ARG ILE PHE ARG SER ASN PHE PRO SEQRES 5 A 115 ASN VAL GLU ILE VAL THR ILE ALA GLU ALA GLU PHE TYR SEQRES 6 A 115 ARG GLN VAL SER ALA SER LEU LEU PHE SER SER SER LYS SEQRES 7 A 115 ASP LEU GLU ALA PHE ASN PRO GLU SER LYS GLU LEU LEU SEQRES 8 A 115 ASP LEU VAL GLU PHE THR ASN GLU ILE GLN THR LEU LEU SEQRES 9 A 115 GLY SER SER VAL GLU TRP LEU HIS PRO SER ASP HELIX 1 1 LEU A 36 LYS A 44 1 9 HELIX 2 2 SER A 46 PHE A 54 1 9 HELIX 3 3 ALA A 63 LEU A 75 1 13 HELIX 4 4 SER A 80 PHE A 86 5 7 HELIX 5 5 THR A 100 LEU A 107 1 8 SHEET 1 A 3 TRP A 33 LEU A 35 0 SHEET 2 A 3 LEU A 96 GLU A 98 -1 O VAL A 97 N LEU A 34 SHEET 3 A 3 ILE A 59 VAL A 60 -1 N VAL A 60 O LEU A 96 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 68 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 72 SER OG : rot 145:sc=0.000282 USER MOD Set 2.1: A 21 ASN : amide:sc= -6.07! C(o=-12!,f=-13!) USER MOD Set 2.2: A 32 ASN :FLIP amide:sc= -6! C(o=-13!,f=-12!) USER MOD Set 3.1: A 12 SER OG : rot -69:sc= 0.31 USER MOD Set 3.2: A 14 THR OG1 : rot -129:sc= -0.393 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 8:sc= -0.37 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.94! C(o=-2.9!,f=-9.1!) USER MOD Single : A 25 SER OG : rot -12:sc= 0.813 USER MOD Single : A 28 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= -0.114 (180deg=-0.303) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -170:sc= -1.83 (180deg=-2.12) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00553 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.74 F(o=-4.7!,f=-1.7) USER MOD Single : A 61 THR OG1 : rot 46:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0438 K(o=-0.044,f=-2.5!) USER MOD Single : A 74 SER OG : rot 2:sc= 1.11 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -5.57! C(o=-5.6!,f=-15!) USER MOD Single : A 90 SER OG : rot 24:sc= -0.0255 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -170:sc= -0.615 USER MOD Single : A 101 ASN : amide:sc= 0.482 K(o=0.48,f=-0.24) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 23:sc= 0.778 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 117 SER OG : rot 83:sc= 0.639 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 4 -16.064 0.037 -8.537 1.00 6.46 N ATOM 2 CA SER A 4 -15.198 1.128 -8.940 1.00 5.73 C ATOM 3 C SER A 4 -14.038 1.234 -7.957 1.00 4.92 C ATOM 4 O SER A 4 -14.134 0.748 -6.825 1.00 4.95 O ATOM 5 CB SER A 4 -15.990 2.439 -8.979 1.00 6.28 C ATOM 6 OG SER A 4 -15.206 3.511 -9.475 1.00 6.82 O ATOM 0 HA SER A 4 -14.805 0.936 -9.938 1.00 5.73 H new ATOM 0 HB2 SER A 4 -16.872 2.313 -9.607 1.00 6.28 H new ATOM 0 HB3 SER A 4 -16.344 2.680 -7.977 1.00 6.28 H new ATOM 0 HG SER A 4 -15.743 4.331 -9.488 1.00 6.82 H new ATOM 12 N ASP A 5 -12.955 1.867 -8.387 1.00 4.61 N ATOM 13 CA ASP A 5 -11.757 1.998 -7.563 1.00 4.16 C ATOM 14 C ASP A 5 -11.945 3.090 -6.522 1.00 3.83 C ATOM 15 O ASP A 5 -11.293 4.135 -6.568 1.00 4.24 O ATOM 16 CB ASP A 5 -10.534 2.308 -8.430 1.00 4.99 C ATOM 17 CG ASP A 5 -10.250 1.223 -9.447 1.00 5.49 C ATOM 18 OD1 ASP A 5 -9.832 0.118 -9.047 1.00 5.93 O ATOM 19 OD2 ASP A 5 -10.433 1.475 -10.658 1.00 5.78 O ATOM 0 H ASP A 5 -12.880 2.301 -9.307 1.00 4.61 H new ATOM 0 HA ASP A 5 -11.591 1.049 -7.054 1.00 4.16 H new ATOM 0 HB2 ASP A 5 -10.691 3.254 -8.948 1.00 4.99 H new ATOM 0 HB3 ASP A 5 -9.662 2.437 -7.789 1.00 4.99 H new ATOM 24 N VAL A 6 -12.852 2.842 -5.591 1.00 3.66 N ATOM 25 CA VAL A 6 -13.169 3.796 -4.539 1.00 3.90 C ATOM 26 C VAL A 6 -12.199 3.651 -3.372 1.00 3.57 C ATOM 27 O VAL A 6 -12.150 4.503 -2.488 1.00 3.95 O ATOM 28 CB VAL A 6 -14.624 3.598 -4.041 1.00 4.73 C ATOM 29 CG1 VAL A 6 -15.023 4.659 -3.024 1.00 5.20 C ATOM 30 CG2 VAL A 6 -15.592 3.602 -5.214 1.00 5.30 C ATOM 0 H VAL A 6 -13.389 1.976 -5.543 1.00 3.66 H new ATOM 0 HA VAL A 6 -13.073 4.799 -4.954 1.00 3.90 H new ATOM 0 HB VAL A 6 -14.671 2.629 -3.544 1.00 4.73 H new ATOM 0 HG11 VAL A 6 -16.049 4.485 -2.700 1.00 5.20 H new ATOM 0 HG12 VAL A 6 -14.357 4.606 -2.163 1.00 5.20 H new ATOM 0 HG13 VAL A 6 -14.949 5.646 -3.480 1.00 5.20 H new ATOM 0 HG21 VAL A 6 -16.609 3.462 -4.847 1.00 5.30 H new ATOM 0 HG22 VAL A 6 -15.524 4.555 -5.739 1.00 5.30 H new ATOM 0 HG23 VAL A 6 -15.338 2.792 -5.898 1.00 5.30 H new ATOM 40 N PHE A 7 -11.395 2.590 -3.431 1.00 3.45 N ATOM 41 CA PHE A 7 -10.519 2.167 -2.327 1.00 3.74 C ATOM 42 C PHE A 7 -11.233 2.271 -0.980 1.00 3.99 C ATOM 43 O PHE A 7 -10.981 3.180 -0.195 1.00 4.73 O ATOM 44 CB PHE A 7 -9.153 2.896 -2.323 1.00 4.72 C ATOM 45 CG PHE A 7 -9.184 4.383 -2.579 1.00 5.30 C ATOM 46 CD1 PHE A 7 -9.459 5.267 -1.548 1.00 5.84 C ATOM 47 CD2 PHE A 7 -8.961 4.894 -3.846 1.00 5.66 C ATOM 48 CE1 PHE A 7 -9.506 6.628 -1.777 1.00 6.75 C ATOM 49 CE2 PHE A 7 -9.011 6.254 -4.081 1.00 6.56 C ATOM 50 CZ PHE A 7 -9.198 7.122 -3.059 1.00 7.11 C ATOM 0 H PHE A 7 -11.329 1.990 -4.253 1.00 3.45 H new ATOM 0 HA PHE A 7 -10.289 1.115 -2.497 1.00 3.74 H new ATOM 0 HB2 PHE A 7 -8.678 2.726 -1.357 1.00 4.72 H new ATOM 0 HB3 PHE A 7 -8.517 2.433 -3.077 1.00 4.72 H new ATOM 0 HD1 PHE A 7 -9.639 4.887 -0.553 1.00 5.84 H new ATOM 0 HD2 PHE A 7 -8.745 4.220 -4.662 1.00 5.66 H new ATOM 0 HE1 PHE A 7 -9.776 7.306 -0.981 1.00 6.75 H new ATOM 0 HE2 PHE A 7 -8.900 6.628 -5.088 1.00 6.56 H new ATOM 0 HZ PHE A 7 -9.112 8.186 -3.226 1.00 7.11 H new ATOM 60 N GLU A 8 -12.132 1.299 -0.755 1.00 3.82 N ATOM 61 CA GLU A 8 -13.016 1.223 0.427 1.00 4.50 C ATOM 62 C GLU A 8 -13.897 2.465 0.553 1.00 5.05 C ATOM 63 O GLU A 8 -13.711 3.457 -0.149 1.00 5.28 O ATOM 64 CB GLU A 8 -12.248 0.957 1.740 1.00 5.21 C ATOM 65 CG GLU A 8 -11.577 2.156 2.360 1.00 5.68 C ATOM 66 CD GLU A 8 -10.851 1.812 3.638 1.00 5.99 C ATOM 67 OE1 GLU A 8 -9.983 0.922 3.614 1.00 6.31 O ATOM 68 OE2 GLU A 8 -11.184 2.409 4.685 1.00 6.25 O ATOM 0 H GLU A 8 -12.270 0.524 -1.404 1.00 3.82 H new ATOM 0 HA GLU A 8 -13.662 0.361 0.261 1.00 4.50 H new ATOM 0 HB2 GLU A 8 -12.943 0.536 2.467 1.00 5.21 H new ATOM 0 HB3 GLU A 8 -11.489 0.198 1.548 1.00 5.21 H new ATOM 0 HG2 GLU A 8 -10.871 2.583 1.648 1.00 5.68 H new ATOM 0 HG3 GLU A 8 -12.325 2.922 2.565 1.00 5.68 H new ATOM 75 N PHE A 9 -14.890 2.397 1.426 1.00 5.65 N ATOM 76 CA PHE A 9 -15.809 3.509 1.577 1.00 6.47 C ATOM 77 C PHE A 9 -15.537 4.243 2.871 1.00 6.99 C ATOM 78 O PHE A 9 -16.328 5.076 3.315 1.00 7.84 O ATOM 79 CB PHE A 9 -17.259 3.024 1.524 1.00 7.15 C ATOM 80 CG PHE A 9 -17.575 2.224 0.291 1.00 7.77 C ATOM 81 CD1 PHE A 9 -17.838 2.857 -0.914 1.00 8.08 C ATOM 82 CD2 PHE A 9 -17.602 0.838 0.335 1.00 8.31 C ATOM 83 CE1 PHE A 9 -18.123 2.124 -2.049 1.00 8.88 C ATOM 84 CE2 PHE A 9 -17.887 0.101 -0.798 1.00 9.13 C ATOM 85 CZ PHE A 9 -18.146 0.744 -1.992 1.00 9.39 C ATOM 0 H PHE A 9 -15.077 1.597 2.030 1.00 5.65 H new ATOM 0 HA PHE A 9 -15.654 4.200 0.749 1.00 6.47 H new ATOM 0 HB2 PHE A 9 -17.464 2.416 2.405 1.00 7.15 H new ATOM 0 HB3 PHE A 9 -17.925 3.886 1.570 1.00 7.15 H new ATOM 0 HD1 PHE A 9 -17.820 3.936 -0.966 1.00 8.08 H new ATOM 0 HD2 PHE A 9 -17.398 0.329 1.266 1.00 8.31 H new ATOM 0 HE1 PHE A 9 -18.328 2.630 -2.981 1.00 8.88 H new ATOM 0 HE2 PHE A 9 -17.907 -0.978 -0.750 1.00 9.13 H new ATOM 0 HZ PHE A 9 -18.366 0.169 -2.880 1.00 9.39 H new ATOM 95 N GLU A 10 -14.371 3.931 3.431 1.00 6.69 N ATOM 96 CA GLU A 10 -13.898 4.494 4.692 1.00 7.43 C ATOM 97 C GLU A 10 -15.035 4.536 5.709 1.00 7.76 C ATOM 98 O GLU A 10 -15.306 5.563 6.334 1.00 8.22 O ATOM 99 CB GLU A 10 -13.294 5.874 4.440 1.00 8.04 C ATOM 100 CG GLU A 10 -12.116 5.813 3.475 1.00 8.48 C ATOM 101 CD GLU A 10 -11.677 7.170 2.978 1.00 9.03 C ATOM 102 OE1 GLU A 10 -10.826 7.802 3.633 1.00 9.26 O ATOM 103 OE2 GLU A 10 -12.170 7.603 1.915 1.00 9.44 O ATOM 0 H GLU A 10 -13.717 3.268 3.014 1.00 6.69 H new ATOM 0 HA GLU A 10 -13.116 3.861 5.113 1.00 7.43 H new ATOM 0 HB2 GLU A 10 -14.059 6.537 4.036 1.00 8.04 H new ATOM 0 HB3 GLU A 10 -12.966 6.305 5.386 1.00 8.04 H new ATOM 0 HG2 GLU A 10 -11.276 5.326 3.970 1.00 8.48 H new ATOM 0 HG3 GLU A 10 -12.387 5.192 2.621 1.00 8.48 H new ATOM 110 N PHE A 11 -15.632 3.362 5.900 1.00 7.78 N ATOM 111 CA PHE A 11 -16.948 3.188 6.492 1.00 8.33 C ATOM 112 C PHE A 11 -17.464 1.874 5.935 1.00 8.71 C ATOM 113 O PHE A 11 -18.607 1.737 5.503 1.00 8.72 O ATOM 114 CB PHE A 11 -17.913 4.333 6.138 1.00 8.41 C ATOM 115 CG PHE A 11 -19.178 4.334 6.954 1.00 8.96 C ATOM 116 CD1 PHE A 11 -19.165 4.724 8.285 1.00 9.49 C ATOM 117 CD2 PHE A 11 -20.379 3.939 6.390 1.00 9.16 C ATOM 118 CE1 PHE A 11 -20.326 4.723 9.034 1.00 10.20 C ATOM 119 CE2 PHE A 11 -21.543 3.935 7.134 1.00 9.85 C ATOM 120 CZ PHE A 11 -21.511 4.343 8.466 1.00 10.38 C ATOM 0 H PHE A 11 -15.195 2.479 5.637 1.00 7.78 H new ATOM 0 HA PHE A 11 -16.881 3.190 7.580 1.00 8.33 H new ATOM 0 HB2 PHE A 11 -17.400 5.285 6.278 1.00 8.41 H new ATOM 0 HB3 PHE A 11 -18.173 4.264 5.082 1.00 8.41 H new ATOM 0 HD1 PHE A 11 -18.236 5.032 8.741 1.00 9.49 H new ATOM 0 HD2 PHE A 11 -20.406 3.630 5.355 1.00 9.16 H new ATOM 0 HE1 PHE A 11 -20.298 5.023 10.071 1.00 10.20 H new ATOM 0 HE2 PHE A 11 -22.473 3.617 6.686 1.00 9.85 H new ATOM 0 HZ PHE A 11 -22.420 4.359 9.049 1.00 10.38 H new ATOM 130 N SER A 12 -16.572 0.909 5.951 1.00 9.25 N ATOM 131 CA SER A 12 -16.799 -0.391 5.361 1.00 9.83 C ATOM 132 C SER A 12 -16.149 -1.416 6.244 1.00 9.82 C ATOM 133 O SER A 12 -15.888 -2.550 5.850 1.00 10.13 O ATOM 134 CB SER A 12 -16.233 -0.421 3.937 1.00 10.05 C ATOM 135 OG SER A 12 -15.113 0.451 3.809 1.00 10.38 O ATOM 0 H SER A 12 -15.653 1.007 6.382 1.00 9.25 H new ATOM 0 HA SER A 12 -17.864 -0.610 5.286 1.00 9.83 H new ATOM 0 HB2 SER A 12 -15.936 -1.438 3.682 1.00 10.05 H new ATOM 0 HB3 SER A 12 -17.008 -0.128 3.229 1.00 10.05 H new ATOM 0 HG SER A 12 -15.414 1.381 3.873 1.00 10.38 H new ATOM 141 N GLU A 13 -16.008 -0.985 7.495 1.00 9.70 N ATOM 142 CA GLU A 13 -15.225 -1.661 8.503 1.00 9.84 C ATOM 143 C GLU A 13 -13.965 -2.235 7.888 1.00 10.02 C ATOM 144 O GLU A 13 -13.864 -3.435 7.635 1.00 10.82 O ATOM 145 CB GLU A 13 -16.027 -2.743 9.221 1.00 10.68 C ATOM 146 CG GLU A 13 -17.251 -2.231 9.972 1.00 11.27 C ATOM 147 CD GLU A 13 -18.421 -1.916 9.065 1.00 11.81 C ATOM 148 OE1 GLU A 13 -19.180 -2.848 8.727 1.00 12.24 O ATOM 149 OE2 GLU A 13 -18.598 -0.736 8.694 1.00 11.95 O ATOM 0 H GLU A 13 -16.451 -0.132 7.836 1.00 9.70 H new ATOM 0 HA GLU A 13 -14.945 -0.924 9.256 1.00 9.84 H new ATOM 0 HB2 GLU A 13 -16.349 -3.484 8.489 1.00 10.68 H new ATOM 0 HB3 GLU A 13 -15.372 -3.255 9.926 1.00 10.68 H new ATOM 0 HG2 GLU A 13 -17.558 -2.978 10.704 1.00 11.27 H new ATOM 0 HG3 GLU A 13 -16.979 -1.334 10.527 1.00 11.27 H new ATOM 156 N THR A 14 -12.987 -1.379 7.702 1.00 9.37 N ATOM 157 CA THR A 14 -11.870 -1.683 6.847 1.00 9.47 C ATOM 158 C THR A 14 -10.598 -1.078 7.438 1.00 8.83 C ATOM 159 O THR A 14 -10.534 0.124 7.694 1.00 8.19 O ATOM 160 CB THR A 14 -12.118 -1.131 5.426 1.00 9.52 C ATOM 161 OG1 THR A 14 -12.471 0.255 5.506 1.00 8.80 O ATOM 162 CG2 THR A 14 -13.247 -1.872 4.715 1.00 10.32 C ATOM 0 H THR A 14 -12.946 -0.458 8.138 1.00 9.37 H new ATOM 0 HA THR A 14 -11.753 -2.765 6.779 1.00 9.47 H new ATOM 0 HB THR A 14 -11.198 -1.270 4.858 1.00 9.52 H new ATOM 0 HG1 THR A 14 -13.294 0.413 4.997 1.00 8.80 H new ATOM 0 HG21 THR A 14 -13.388 -1.452 3.719 1.00 10.32 H new ATOM 0 HG22 THR A 14 -12.992 -2.928 4.630 1.00 10.32 H new ATOM 0 HG23 THR A 14 -14.169 -1.766 5.287 1.00 10.32 H new ATOM 170 N PRO A 15 -9.582 -1.914 7.697 1.00 9.14 N ATOM 171 CA PRO A 15 -8.432 -1.568 8.515 1.00 8.75 C ATOM 172 C PRO A 15 -7.215 -1.120 7.714 1.00 8.29 C ATOM 173 O PRO A 15 -6.584 -1.916 7.016 1.00 8.61 O ATOM 174 CB PRO A 15 -8.143 -2.898 9.223 1.00 9.55 C ATOM 175 CG PRO A 15 -9.002 -3.927 8.529 1.00 10.32 C ATOM 176 CD PRO A 15 -9.441 -3.289 7.247 1.00 10.03 C ATOM 0 HA PRO A 15 -8.636 -0.721 9.170 1.00 8.75 H new ATOM 0 HB2 PRO A 15 -7.087 -3.158 9.152 1.00 9.55 H new ATOM 0 HB3 PRO A 15 -8.385 -2.837 10.284 1.00 9.55 H new ATOM 0 HG2 PRO A 15 -8.441 -4.842 8.339 1.00 10.32 H new ATOM 0 HG3 PRO A 15 -9.859 -4.201 9.144 1.00 10.32 H new ATOM 0 HD2 PRO A 15 -8.703 -3.396 6.452 1.00 10.03 H new ATOM 0 HD3 PRO A 15 -10.376 -3.704 6.871 1.00 10.03 H new ATOM 184 N LEU A 16 -6.870 0.152 7.843 1.00 7.73 N ATOM 185 CA LEU A 16 -5.668 0.673 7.218 1.00 7.41 C ATOM 186 C LEU A 16 -4.512 0.622 8.200 1.00 7.17 C ATOM 187 O LEU A 16 -4.122 1.636 8.779 1.00 7.12 O ATOM 188 CB LEU A 16 -5.864 2.105 6.717 1.00 7.43 C ATOM 189 CG LEU A 16 -6.848 2.283 5.558 1.00 7.75 C ATOM 190 CD1 LEU A 16 -6.602 1.239 4.478 1.00 7.97 C ATOM 191 CD2 LEU A 16 -8.283 2.231 6.053 1.00 8.21 C ATOM 0 H LEU A 16 -7.405 0.840 8.374 1.00 7.73 H new ATOM 0 HA LEU A 16 -5.444 0.047 6.354 1.00 7.41 H new ATOM 0 HB2 LEU A 16 -6.203 2.718 7.552 1.00 7.43 H new ATOM 0 HB3 LEU A 16 -4.895 2.496 6.408 1.00 7.43 H new ATOM 0 HG LEU A 16 -6.683 3.267 5.119 1.00 7.75 H new ATOM 0 HD11 LEU A 16 -7.312 1.384 3.664 1.00 7.97 H new ATOM 0 HD12 LEU A 16 -5.586 1.343 4.096 1.00 7.97 H new ATOM 0 HD13 LEU A 16 -6.731 0.242 4.899 1.00 7.97 H new ATOM 0 HD21 LEU A 16 -8.963 2.360 5.211 1.00 8.21 H new ATOM 0 HD22 LEU A 16 -8.470 1.267 6.526 1.00 8.21 H new ATOM 0 HD23 LEU A 16 -8.447 3.029 6.777 1.00 8.21 H new ATOM 203 N LEU A 17 -3.983 -0.570 8.399 1.00 7.28 N ATOM 204 CA LEU A 17 -2.830 -0.753 9.260 1.00 7.23 C ATOM 205 C LEU A 17 -1.588 -0.237 8.548 1.00 6.44 C ATOM 206 O LEU A 17 -1.373 -0.550 7.374 1.00 5.97 O ATOM 207 CB LEU A 17 -2.676 -2.229 9.637 1.00 7.67 C ATOM 208 CG LEU A 17 -3.812 -2.796 10.494 1.00 8.60 C ATOM 209 CD1 LEU A 17 -3.596 -4.277 10.766 1.00 9.28 C ATOM 210 CD2 LEU A 17 -3.928 -2.028 11.804 1.00 9.11 C ATOM 0 H LEU A 17 -4.334 -1.428 7.975 1.00 7.28 H new ATOM 0 HA LEU A 17 -2.968 -0.189 10.182 1.00 7.23 H new ATOM 0 HB2 LEU A 17 -2.602 -2.817 8.722 1.00 7.67 H new ATOM 0 HB3 LEU A 17 -1.736 -2.356 10.175 1.00 7.67 H new ATOM 0 HG LEU A 17 -4.744 -2.682 9.941 1.00 8.60 H new ATOM 0 HD11 LEU A 17 -4.415 -4.658 11.376 1.00 9.28 H new ATOM 0 HD12 LEU A 17 -3.564 -4.820 9.821 1.00 9.28 H new ATOM 0 HD13 LEU A 17 -2.654 -4.416 11.296 1.00 9.28 H new ATOM 0 HD21 LEU A 17 -4.740 -2.445 12.400 1.00 9.11 H new ATOM 0 HD22 LEU A 17 -2.993 -2.110 12.358 1.00 9.11 H new ATOM 0 HD23 LEU A 17 -4.134 -0.979 11.594 1.00 9.11 H new ATOM 222 N PRO A 18 -0.777 0.581 9.255 1.00 6.56 N ATOM 223 CA PRO A 18 0.361 1.302 8.684 1.00 6.05 C ATOM 224 C PRO A 18 1.168 0.483 7.695 1.00 5.39 C ATOM 225 O PRO A 18 1.913 -0.425 8.065 1.00 5.73 O ATOM 226 CB PRO A 18 1.220 1.680 9.888 1.00 6.90 C ATOM 227 CG PRO A 18 0.493 1.195 11.105 1.00 7.68 C ATOM 228 CD PRO A 18 -0.914 0.872 10.685 1.00 7.50 C ATOM 0 HA PRO A 18 0.014 2.160 8.108 1.00 6.05 H new ATOM 0 HB2 PRO A 18 2.207 1.222 9.818 1.00 6.90 H new ATOM 0 HB3 PRO A 18 1.372 2.759 9.932 1.00 6.90 H new ATOM 0 HG2 PRO A 18 0.982 0.314 11.519 1.00 7.68 H new ATOM 0 HG3 PRO A 18 0.496 1.957 11.884 1.00 7.68 H new ATOM 0 HD2 PRO A 18 -1.312 0.018 11.233 1.00 7.50 H new ATOM 0 HD3 PRO A 18 -1.590 1.709 10.863 1.00 7.50 H new ATOM 236 N SER A 19 1.002 0.833 6.439 1.00 4.72 N ATOM 237 CA SER A 19 1.641 0.135 5.342 1.00 4.14 C ATOM 238 C SER A 19 3.013 0.733 5.062 1.00 3.95 C ATOM 239 O SER A 19 3.319 1.843 5.504 1.00 4.34 O ATOM 240 CB SER A 19 0.752 0.224 4.107 1.00 3.53 C ATOM 241 OG SER A 19 -0.548 -0.267 4.389 1.00 4.33 O ATOM 0 H SER A 19 0.416 1.615 6.146 1.00 4.72 H new ATOM 0 HA SER A 19 1.779 -0.913 5.608 1.00 4.14 H new ATOM 0 HB2 SER A 19 0.690 1.259 3.771 1.00 3.53 H new ATOM 0 HB3 SER A 19 1.194 -0.350 3.292 1.00 3.53 H new ATOM 0 HG SER A 19 -0.629 -0.445 5.349 1.00 4.33 H new ATOM 247 N TYR A 20 3.829 0.005 4.323 1.00 3.60 N ATOM 248 CA TYR A 20 5.200 0.417 4.079 1.00 3.49 C ATOM 249 C TYR A 20 5.342 1.119 2.738 1.00 2.62 C ATOM 250 O TYR A 20 5.055 0.547 1.687 1.00 2.48 O ATOM 251 CB TYR A 20 6.143 -0.783 4.169 1.00 4.14 C ATOM 252 CG TYR A 20 6.181 -1.396 5.551 1.00 4.73 C ATOM 253 CD1 TYR A 20 6.888 -0.795 6.584 1.00 5.21 C ATOM 254 CD2 TYR A 20 5.517 -2.588 5.818 1.00 5.12 C ATOM 255 CE1 TYR A 20 6.932 -1.363 7.842 1.00 6.02 C ATOM 256 CE2 TYR A 20 5.559 -3.164 7.072 1.00 5.93 C ATOM 257 CZ TYR A 20 6.232 -2.501 8.103 1.00 6.36 C ATOM 258 OH TYR A 20 6.316 -3.120 9.330 1.00 7.31 O ATOM 0 H TYR A 20 3.567 -0.876 3.880 1.00 3.60 H new ATOM 0 HA TYR A 20 5.476 1.134 4.853 1.00 3.49 H new ATOM 0 HB2 TYR A 20 5.830 -1.540 3.449 1.00 4.14 H new ATOM 0 HB3 TYR A 20 7.149 -0.471 3.887 1.00 4.14 H new ATOM 0 HD1 TYR A 20 7.412 0.131 6.401 1.00 5.21 H new ATOM 0 HD2 TYR A 20 4.958 -3.072 5.030 1.00 5.12 H new ATOM 0 HE1 TYR A 20 7.523 -0.903 8.620 1.00 6.02 H new ATOM 0 HE2 TYR A 20 5.079 -4.114 7.254 1.00 5.93 H new ATOM 0 HH TYR A 20 5.747 -3.918 9.334 1.00 7.31 H new ATOM 268 N ASN A 21 5.784 2.364 2.801 1.00 2.48 N ATOM 269 CA ASN A 21 6.019 3.181 1.621 1.00 2.06 C ATOM 270 C ASN A 21 7.090 4.213 1.962 1.00 1.80 C ATOM 271 O ASN A 21 7.541 4.289 3.106 1.00 2.26 O ATOM 272 CB ASN A 21 4.734 3.847 1.128 1.00 2.83 C ATOM 273 CG ASN A 21 4.866 4.387 -0.292 1.00 3.55 C ATOM 274 OD1 ASN A 21 4.649 3.670 -1.263 1.00 3.81 O ATOM 275 ND2 ASN A 21 5.205 5.661 -0.427 1.00 4.39 N ATOM 0 H ASN A 21 5.992 2.840 3.679 1.00 2.48 H new ATOM 0 HA ASN A 21 6.364 2.549 0.803 1.00 2.06 H new ATOM 0 HB2 ASN A 21 3.917 3.126 1.165 1.00 2.83 H new ATOM 0 HB3 ASN A 21 4.470 4.663 1.801 1.00 2.83 H new ATOM 0 HD21 ASN A 21 5.292 6.070 -1.357 1.00 4.39 H new ATOM 0 HD22 ASN A 21 5.379 6.233 0.400 1.00 4.39 H new ATOM 282 N ILE A 22 7.499 5.005 0.986 1.00 1.52 N ATOM 283 CA ILE A 22 8.746 5.753 1.077 1.00 1.76 C ATOM 284 C ILE A 22 8.617 7.114 0.414 1.00 2.25 C ATOM 285 O ILE A 22 7.579 7.411 -0.177 1.00 2.52 O ATOM 286 CB ILE A 22 10.002 5.029 0.509 1.00 2.03 C ATOM 287 CG1 ILE A 22 9.737 3.561 0.214 1.00 1.87 C ATOM 288 CG2 ILE A 22 11.154 5.144 1.491 1.00 2.63 C ATOM 289 CD1 ILE A 22 8.779 3.381 -0.911 1.00 1.16 C ATOM 0 H ILE A 22 6.985 5.149 0.117 1.00 1.52 H new ATOM 0 HA ILE A 22 8.913 5.856 2.149 1.00 1.76 H new ATOM 0 HB ILE A 22 10.257 5.517 -0.431 1.00 2.03 H new ATOM 0 HG12 ILE A 22 10.677 3.065 -0.028 1.00 1.87 H new ATOM 0 HG13 ILE A 22 9.342 3.078 1.107 1.00 1.87 H new ATOM 0 HG21 ILE A 22 12.029 4.635 1.087 1.00 2.63 H new ATOM 0 HG22 ILE A 22 11.389 6.196 1.654 1.00 2.63 H new ATOM 0 HG23 ILE A 22 10.872 4.684 2.438 1.00 2.63 H new ATOM 0 HD11 ILE A 22 8.620 2.317 -1.086 1.00 1.16 H new ATOM 0 HD12 ILE A 22 7.830 3.854 -0.659 1.00 1.16 H new ATOM 0 HD13 ILE A 22 9.185 3.840 -1.812 1.00 1.16 H new ATOM 301 N GLN A 23 9.655 7.943 0.534 1.00 2.63 N ATOM 302 CA GLN A 23 9.602 9.321 0.060 1.00 3.22 C ATOM 303 C GLN A 23 9.253 9.374 -1.427 1.00 3.53 C ATOM 304 O GLN A 23 9.959 8.851 -2.289 1.00 3.74 O ATOM 305 CB GLN A 23 10.934 10.048 0.315 1.00 3.52 C ATOM 306 CG GLN A 23 12.142 9.449 -0.404 1.00 3.27 C ATOM 307 CD GLN A 23 12.627 8.158 0.224 1.00 2.81 C ATOM 308 OE1 GLN A 23 12.535 7.975 1.437 1.00 3.36 O ATOM 309 NE2 GLN A 23 13.119 7.242 -0.599 1.00 2.29 N ATOM 0 H GLN A 23 10.545 7.680 0.958 1.00 2.63 H new ATOM 0 HA GLN A 23 8.818 9.830 0.621 1.00 3.22 H new ATOM 0 HB2 GLN A 23 10.827 11.089 0.010 1.00 3.52 H new ATOM 0 HB3 GLN A 23 11.131 10.049 1.387 1.00 3.52 H new ATOM 0 HG2 GLN A 23 11.882 9.264 -1.446 1.00 3.27 H new ATOM 0 HG3 GLN A 23 12.955 10.175 -0.402 1.00 3.27 H new ATOM 0 HE21 GLN A 23 13.178 7.434 -1.599 1.00 2.29 H new ATOM 0 HE22 GLN A 23 13.438 6.346 -0.232 1.00 2.29 H new ATOM 318 N VAL A 24 8.112 9.985 -1.682 1.00 3.75 N ATOM 319 CA VAL A 24 7.513 10.054 -3.003 1.00 4.18 C ATOM 320 C VAL A 24 7.964 11.302 -3.748 1.00 4.86 C ATOM 321 O VAL A 24 8.749 11.231 -4.691 1.00 5.37 O ATOM 322 CB VAL A 24 5.992 10.026 -2.814 1.00 4.12 C ATOM 323 CG1 VAL A 24 5.186 10.416 -4.046 1.00 4.58 C ATOM 324 CG2 VAL A 24 5.595 8.649 -2.344 1.00 3.68 C ATOM 0 H VAL A 24 7.564 10.457 -0.963 1.00 3.75 H new ATOM 0 HA VAL A 24 7.831 9.208 -3.613 1.00 4.18 H new ATOM 0 HB VAL A 24 5.753 10.789 -2.073 1.00 4.12 H new ATOM 0 HG11 VAL A 24 4.122 10.366 -3.815 1.00 4.58 H new ATOM 0 HG12 VAL A 24 5.446 11.432 -4.344 1.00 4.58 H new ATOM 0 HG13 VAL A 24 5.413 9.729 -4.862 1.00 4.58 H new ATOM 0 HG21 VAL A 24 4.515 8.610 -2.204 1.00 3.68 H new ATOM 0 HG22 VAL A 24 5.891 7.911 -3.089 1.00 3.68 H new ATOM 0 HG23 VAL A 24 6.092 8.430 -1.399 1.00 3.68 H new ATOM 334 N SER A 25 7.467 12.441 -3.305 1.00 5.04 N ATOM 335 CA SER A 25 7.882 13.732 -3.830 1.00 5.75 C ATOM 336 C SER A 25 7.604 14.793 -2.778 1.00 5.84 C ATOM 337 O SER A 25 6.480 14.921 -2.315 1.00 5.69 O ATOM 338 CB SER A 25 7.133 14.049 -5.130 1.00 6.45 C ATOM 339 OG SER A 25 7.371 13.050 -6.111 1.00 6.86 O ATOM 0 H SER A 25 6.763 12.499 -2.570 1.00 5.04 H new ATOM 0 HA SER A 25 8.948 13.713 -4.059 1.00 5.75 H new ATOM 0 HB2 SER A 25 6.064 14.120 -4.930 1.00 6.45 H new ATOM 0 HB3 SER A 25 7.451 15.020 -5.510 1.00 6.45 H new ATOM 0 HG SER A 25 8.112 12.477 -5.822 1.00 6.86 H new ATOM 345 N VAL A 26 8.612 15.552 -2.398 1.00 6.35 N ATOM 346 CA VAL A 26 8.461 16.487 -1.291 1.00 6.82 C ATOM 347 C VAL A 26 7.972 17.853 -1.760 1.00 7.49 C ATOM 348 O VAL A 26 7.552 18.677 -0.945 1.00 8.06 O ATOM 349 CB VAL A 26 9.771 16.649 -0.497 1.00 7.25 C ATOM 350 CG1 VAL A 26 10.130 15.345 0.194 1.00 6.99 C ATOM 351 CG2 VAL A 26 10.904 17.103 -1.403 1.00 7.58 C ATOM 0 H VAL A 26 9.536 15.544 -2.830 1.00 6.35 H new ATOM 0 HA VAL A 26 7.705 16.058 -0.633 1.00 6.82 H new ATOM 0 HB VAL A 26 9.619 17.417 0.261 1.00 7.25 H new ATOM 0 HG11 VAL A 26 11.058 15.472 0.752 1.00 6.99 H new ATOM 0 HG12 VAL A 26 9.330 15.064 0.879 1.00 6.99 H new ATOM 0 HG13 VAL A 26 10.260 14.561 -0.552 1.00 6.99 H new ATOM 0 HG21 VAL A 26 11.817 17.210 -0.818 1.00 7.58 H new ATOM 0 HG22 VAL A 26 11.061 16.363 -2.188 1.00 7.58 H new ATOM 0 HG23 VAL A 26 10.648 18.062 -1.854 1.00 7.58 H new ATOM 361 N ALA A 27 8.033 18.098 -3.062 1.00 7.66 N ATOM 362 CA ALA A 27 7.525 19.342 -3.619 1.00 8.50 C ATOM 363 C ALA A 27 6.008 19.300 -3.619 1.00 8.66 C ATOM 364 O ALA A 27 5.328 20.280 -3.324 1.00 9.43 O ATOM 365 CB ALA A 27 8.064 19.558 -5.026 1.00 8.88 C ATOM 0 H ALA A 27 8.427 17.455 -3.748 1.00 7.66 H new ATOM 0 HA ALA A 27 7.860 20.180 -3.007 1.00 8.50 H new ATOM 0 HB1 ALA A 27 7.673 20.494 -5.426 1.00 8.88 H new ATOM 0 HB2 ALA A 27 9.153 19.603 -4.996 1.00 8.88 H new ATOM 0 HB3 ALA A 27 7.753 18.732 -5.666 1.00 8.88 H new ATOM 371 N GLN A 28 5.506 18.126 -3.948 1.00 8.02 N ATOM 372 CA GLN A 28 4.084 17.867 -4.031 1.00 8.12 C ATOM 373 C GLN A 28 3.533 17.412 -2.691 1.00 7.73 C ATOM 374 O GLN A 28 2.526 17.925 -2.198 1.00 8.36 O ATOM 375 CB GLN A 28 3.848 16.774 -5.063 1.00 7.77 C ATOM 376 CG GLN A 28 3.719 17.272 -6.495 1.00 8.63 C ATOM 377 CD GLN A 28 4.969 17.963 -7.004 1.00 9.16 C ATOM 378 OE1 GLN A 28 5.881 17.318 -7.518 1.00 9.17 O ATOM 379 NE2 GLN A 28 5.015 19.278 -6.883 1.00 9.84 N ATOM 0 H GLN A 28 6.083 17.315 -4.168 1.00 8.02 H new ATOM 0 HA GLN A 28 3.575 18.787 -4.318 1.00 8.12 H new ATOM 0 HB2 GLN A 28 4.671 16.061 -5.013 1.00 7.77 H new ATOM 0 HB3 GLN A 28 2.940 16.232 -4.798 1.00 7.77 H new ATOM 0 HG2 GLN A 28 3.487 16.429 -7.146 1.00 8.63 H new ATOM 0 HG3 GLN A 28 2.879 17.963 -6.558 1.00 8.63 H new ATOM 0 HE21 GLN A 28 4.238 19.778 -6.451 1.00 9.84 H new ATOM 0 HE22 GLN A 28 5.827 19.793 -7.222 1.00 9.84 H new ATOM 388 N GLY A 29 4.205 16.435 -2.118 1.00 6.86 N ATOM 389 CA GLY A 29 3.755 15.829 -0.894 1.00 6.63 C ATOM 390 C GLY A 29 3.939 14.331 -0.944 1.00 5.75 C ATOM 391 O GLY A 29 3.904 13.737 -2.024 1.00 5.44 O ATOM 0 H GLY A 29 5.072 16.045 -2.489 1.00 6.86 H new ATOM 0 HA2 GLY A 29 4.311 16.241 -0.052 1.00 6.63 H new ATOM 0 HA3 GLY A 29 2.704 16.067 -0.729 1.00 6.63 H new ATOM 395 N PRO A 30 4.154 13.682 0.196 1.00 5.52 N ATOM 396 CA PRO A 30 4.428 12.253 0.229 1.00 4.79 C ATOM 397 C PRO A 30 3.183 11.412 -0.059 1.00 4.14 C ATOM 398 O PRO A 30 2.131 11.614 0.536 1.00 4.36 O ATOM 399 CB PRO A 30 4.939 12.022 1.652 1.00 5.13 C ATOM 400 CG PRO A 30 4.333 13.116 2.467 1.00 6.10 C ATOM 401 CD PRO A 30 4.138 14.286 1.541 1.00 6.22 C ATOM 0 HA PRO A 30 5.141 11.953 -0.539 1.00 4.79 H new ATOM 0 HB2 PRO A 30 4.640 11.042 2.024 1.00 5.13 H new ATOM 0 HB3 PRO A 30 6.028 12.059 1.690 1.00 5.13 H new ATOM 0 HG2 PRO A 30 3.382 12.799 2.895 1.00 6.10 H new ATOM 0 HG3 PRO A 30 4.984 13.385 3.299 1.00 6.10 H new ATOM 0 HD2 PRO A 30 3.196 14.798 1.738 1.00 6.22 H new ATOM 0 HD3 PRO A 30 4.932 15.024 1.657 1.00 6.22 H new ATOM 409 N ARG A 31 3.294 10.526 -1.038 1.00 3.61 N ATOM 410 CA ARG A 31 2.273 9.528 -1.288 1.00 3.11 C ATOM 411 C ARG A 31 2.615 8.234 -0.570 1.00 2.44 C ATOM 412 O ARG A 31 3.687 8.118 0.018 1.00 2.55 O ATOM 413 CB ARG A 31 2.087 9.275 -2.776 1.00 3.35 C ATOM 414 CG ARG A 31 1.297 10.372 -3.443 1.00 3.95 C ATOM 415 CD ARG A 31 2.150 11.529 -3.913 1.00 4.42 C ATOM 416 NE ARG A 31 1.338 12.627 -4.435 1.00 5.01 N ATOM 417 CZ ARG A 31 0.826 13.606 -3.687 1.00 5.95 C ATOM 418 NH1 ARG A 31 1.003 13.609 -2.371 1.00 6.41 N ATOM 419 NH2 ARG A 31 0.131 14.578 -4.258 1.00 6.61 N ATOM 0 H ARG A 31 4.089 10.481 -1.675 1.00 3.61 H new ATOM 0 HA ARG A 31 1.330 9.913 -0.899 1.00 3.11 H new ATOM 0 HB2 ARG A 31 3.063 9.190 -3.254 1.00 3.35 H new ATOM 0 HB3 ARG A 31 1.577 8.322 -2.920 1.00 3.35 H new ATOM 0 HG2 ARG A 31 0.761 9.956 -4.296 1.00 3.95 H new ATOM 0 HG3 ARG A 31 0.546 10.744 -2.746 1.00 3.95 H new ATOM 0 HD2 ARG A 31 2.760 11.890 -3.085 1.00 4.42 H new ATOM 0 HD3 ARG A 31 2.835 11.184 -4.687 1.00 4.42 H new ATOM 0 HE ARG A 31 1.150 12.646 -5.437 1.00 5.01 H new ATOM 0 HH11 ARG A 31 1.533 12.860 -1.926 1.00 6.41 H new ATOM 0 HH12 ARG A 31 0.609 14.361 -1.805 1.00 6.41 H new ATOM 0 HH21 ARG A 31 -0.012 14.577 -5.268 1.00 6.61 H new ATOM 0 HH22 ARG A 31 -0.261 15.327 -3.688 1.00 6.61 H new ATOM 433 N ASN A 32 1.722 7.262 -0.637 1.00 2.11 N ATOM 434 CA ASN A 32 1.936 5.978 0.014 1.00 1.71 C ATOM 435 C ASN A 32 1.185 4.882 -0.723 1.00 1.40 C ATOM 436 O ASN A 32 -0.039 4.843 -0.706 1.00 1.67 O ATOM 437 CB ASN A 32 1.458 6.028 1.470 1.00 2.32 C ATOM 438 CG ASN A 32 2.586 6.028 2.498 1.00 2.79 C ATOM 439 OD1 ASN A 32 3.769 6.505 2.121 1.00 3.55 O flip ATOM 440 ND2 ASN A 32 2.397 5.581 3.627 1.00 2.71 N flip ATOM 0 H ASN A 32 0.837 7.337 -1.138 1.00 2.11 H new ATOM 0 HA ASN A 32 3.004 5.761 -0.005 1.00 1.71 H new ATOM 0 HB2 ASN A 32 0.852 6.923 1.611 1.00 2.32 H new ATOM 0 HB3 ASN A 32 0.810 5.172 1.658 1.00 2.32 H new ATOM 0 HD21 ASN A 32 1.478 5.222 3.886 1.00 2.71 H new ATOM 0 HD22 ASN A 32 3.159 5.569 4.305 1.00 2.71 H new ATOM 447 N TRP A 33 1.911 4.012 -1.391 1.00 1.02 N ATOM 448 CA TRP A 33 1.298 2.858 -2.017 1.00 0.86 C ATOM 449 C TRP A 33 1.413 1.708 -1.043 1.00 0.80 C ATOM 450 O TRP A 33 2.506 1.381 -0.587 1.00 1.00 O ATOM 451 CB TRP A 33 1.984 2.518 -3.343 1.00 0.92 C ATOM 452 CG TRP A 33 2.140 3.707 -4.242 1.00 1.44 C ATOM 453 CD1 TRP A 33 3.303 4.343 -4.573 1.00 2.34 C ATOM 454 CD2 TRP A 33 1.090 4.414 -4.910 1.00 1.80 C ATOM 455 NE1 TRP A 33 3.040 5.401 -5.411 1.00 2.71 N ATOM 456 CE2 TRP A 33 1.687 5.464 -5.631 1.00 2.33 C ATOM 457 CE3 TRP A 33 -0.298 4.259 -4.970 1.00 2.43 C ATOM 458 CZ2 TRP A 33 0.944 6.353 -6.402 1.00 2.87 C ATOM 459 CZ3 TRP A 33 -1.034 5.142 -5.735 1.00 3.21 C ATOM 460 CH2 TRP A 33 -0.412 6.177 -6.442 1.00 3.23 C ATOM 0 H TRP A 33 2.921 4.080 -1.515 1.00 1.02 H new ATOM 0 HA TRP A 33 0.253 3.064 -2.249 1.00 0.86 H new ATOM 0 HB2 TRP A 33 2.966 2.092 -3.139 1.00 0.92 H new ATOM 0 HB3 TRP A 33 1.405 1.752 -3.859 1.00 0.92 H new ATOM 0 HD1 TRP A 33 4.285 4.057 -4.227 1.00 2.34 H new ATOM 0 HE1 TRP A 33 3.736 6.035 -5.804 1.00 2.71 H new ATOM 0 HE3 TRP A 33 -0.786 3.463 -4.428 1.00 2.43 H new ATOM 0 HZ2 TRP A 33 1.421 7.153 -6.949 1.00 2.87 H new ATOM 0 HZ3 TRP A 33 -2.107 5.032 -5.789 1.00 3.21 H new ATOM 0 HH2 TRP A 33 -1.015 6.851 -7.032 1.00 3.23 H new ATOM 471 N LEU A 34 0.299 1.110 -0.706 1.00 0.70 N ATOM 472 CA LEU A 34 0.277 0.161 0.382 1.00 0.70 C ATOM 473 C LEU A 34 0.566 -1.237 -0.140 1.00 0.56 C ATOM 474 O LEU A 34 -0.242 -1.809 -0.857 1.00 0.54 O ATOM 475 CB LEU A 34 -1.087 0.206 1.073 1.00 0.84 C ATOM 476 CG LEU A 34 -1.715 1.599 1.173 1.00 1.06 C ATOM 477 CD1 LEU A 34 -3.136 1.485 1.699 1.00 1.26 C ATOM 478 CD2 LEU A 34 -0.879 2.511 2.065 1.00 1.29 C ATOM 0 H LEU A 34 -0.600 1.260 -1.164 1.00 0.70 H new ATOM 0 HA LEU A 34 1.048 0.423 1.107 1.00 0.70 H new ATOM 0 HB2 LEU A 34 -1.773 -0.448 0.534 1.00 0.84 H new ATOM 0 HB3 LEU A 34 -0.982 -0.202 2.078 1.00 0.84 H new ATOM 0 HG LEU A 34 -1.742 2.043 0.178 1.00 1.06 H new ATOM 0 HD11 LEU A 34 -3.579 2.478 1.769 1.00 1.26 H new ATOM 0 HD12 LEU A 34 -3.727 0.871 1.020 1.00 1.26 H new ATOM 0 HD13 LEU A 34 -3.123 1.024 2.687 1.00 1.26 H new ATOM 0 HD21 LEU A 34 -1.346 3.494 2.120 1.00 1.29 H new ATOM 0 HD22 LEU A 34 -0.816 2.083 3.065 1.00 1.29 H new ATOM 0 HD23 LEU A 34 0.123 2.608 1.648 1.00 1.29 H new ATOM 490 N LEU A 35 1.729 -1.770 0.210 1.00 0.53 N ATOM 491 CA LEU A 35 2.117 -3.117 -0.186 1.00 0.47 C ATOM 492 C LEU A 35 1.027 -4.101 0.159 1.00 0.44 C ATOM 493 O LEU A 35 0.709 -4.337 1.322 1.00 0.48 O ATOM 494 CB LEU A 35 3.395 -3.507 0.552 1.00 0.57 C ATOM 495 CG LEU A 35 4.412 -4.304 -0.254 1.00 0.58 C ATOM 496 CD1 LEU A 35 5.034 -3.415 -1.309 1.00 0.66 C ATOM 497 CD2 LEU A 35 5.479 -4.886 0.658 1.00 1.15 C ATOM 0 H LEU A 35 2.427 -1.284 0.773 1.00 0.53 H new ATOM 0 HA LEU A 35 2.283 -3.136 -1.263 1.00 0.47 H new ATOM 0 HB2 LEU A 35 3.877 -2.597 0.910 1.00 0.57 H new ATOM 0 HB3 LEU A 35 3.120 -4.090 1.431 1.00 0.57 H new ATOM 0 HG LEU A 35 3.904 -5.133 -0.747 1.00 0.58 H new ATOM 0 HD11 LEU A 35 5.761 -3.988 -1.884 1.00 0.66 H new ATOM 0 HD12 LEU A 35 4.256 -3.042 -1.976 1.00 0.66 H new ATOM 0 HD13 LEU A 35 5.533 -2.574 -0.828 1.00 0.66 H new ATOM 0 HD21 LEU A 35 6.196 -5.452 0.064 1.00 1.15 H new ATOM 0 HD22 LEU A 35 5.995 -4.078 1.177 1.00 1.15 H new ATOM 0 HD23 LEU A 35 5.012 -5.546 1.389 1.00 1.15 H new ATOM 509 N LEU A 36 0.451 -4.645 -0.884 1.00 0.41 N ATOM 510 CA LEU A 36 -0.553 -5.676 -0.764 1.00 0.42 C ATOM 511 C LEU A 36 0.055 -6.882 -0.063 1.00 0.44 C ATOM 512 O LEU A 36 -0.619 -7.593 0.669 1.00 0.50 O ATOM 513 CB LEU A 36 -1.061 -6.017 -2.159 1.00 0.43 C ATOM 514 CG LEU A 36 -2.199 -7.019 -2.285 1.00 0.50 C ATOM 515 CD1 LEU A 36 -1.688 -8.452 -2.236 1.00 0.57 C ATOM 516 CD2 LEU A 36 -3.195 -6.767 -1.191 1.00 0.52 C ATOM 0 H LEU A 36 0.666 -4.384 -1.846 1.00 0.41 H new ATOM 0 HA LEU A 36 -1.400 -5.340 -0.165 1.00 0.42 H new ATOM 0 HB2 LEU A 36 -1.381 -5.089 -2.633 1.00 0.43 H new ATOM 0 HB3 LEU A 36 -0.218 -6.396 -2.737 1.00 0.43 H new ATOM 0 HG LEU A 36 -2.681 -6.887 -3.254 1.00 0.50 H new ATOM 0 HD11 LEU A 36 -2.527 -9.141 -2.329 1.00 0.57 H new ATOM 0 HD12 LEU A 36 -0.990 -8.618 -3.057 1.00 0.57 H new ATOM 0 HD13 LEU A 36 -1.180 -8.625 -1.287 1.00 0.57 H new ATOM 0 HD21 LEU A 36 -4.015 -7.481 -1.274 1.00 0.52 H new ATOM 0 HD22 LEU A 36 -2.709 -6.883 -0.222 1.00 0.52 H new ATOM 0 HD23 LEU A 36 -3.586 -5.754 -1.281 1.00 0.52 H new ATOM 528 N SER A 37 1.348 -7.071 -0.264 1.00 0.43 N ATOM 529 CA SER A 37 2.078 -8.130 0.413 1.00 0.49 C ATOM 530 C SER A 37 2.069 -7.877 1.921 1.00 0.53 C ATOM 531 O SER A 37 2.081 -8.809 2.720 1.00 0.60 O ATOM 532 CB SER A 37 3.514 -8.202 -0.115 1.00 0.52 C ATOM 533 OG SER A 37 4.211 -9.313 0.421 1.00 1.14 O ATOM 0 H SER A 37 1.916 -6.503 -0.893 1.00 0.43 H new ATOM 0 HA SER A 37 1.593 -9.086 0.215 1.00 0.49 H new ATOM 0 HB2 SER A 37 3.499 -8.271 -1.203 1.00 0.52 H new ATOM 0 HB3 SER A 37 4.042 -7.283 0.139 1.00 0.52 H new ATOM 0 HG SER A 37 5.123 -9.331 0.063 1.00 1.14 H new ATOM 539 N ASP A 38 2.024 -6.606 2.303 1.00 0.54 N ATOM 540 CA ASP A 38 1.972 -6.232 3.708 1.00 0.64 C ATOM 541 C ASP A 38 0.580 -6.479 4.272 1.00 0.66 C ATOM 542 O ASP A 38 0.425 -7.210 5.250 1.00 0.73 O ATOM 543 CB ASP A 38 2.364 -4.763 3.892 1.00 0.69 C ATOM 544 CG ASP A 38 2.323 -4.332 5.344 1.00 0.96 C ATOM 545 OD1 ASP A 38 2.900 -5.035 6.192 1.00 1.06 O ATOM 546 OD2 ASP A 38 1.716 -3.284 5.640 1.00 1.43 O ATOM 0 H ASP A 38 2.023 -5.817 1.657 1.00 0.54 H new ATOM 0 HA ASP A 38 2.686 -6.851 4.252 1.00 0.64 H new ATOM 0 HB2 ASP A 38 3.368 -4.605 3.497 1.00 0.69 H new ATOM 0 HB3 ASP A 38 1.690 -4.134 3.310 1.00 0.69 H new ATOM 551 N VAL A 39 -0.435 -5.887 3.643 1.00 0.63 N ATOM 552 CA VAL A 39 -1.813 -6.042 4.101 1.00 0.67 C ATOM 553 C VAL A 39 -2.274 -7.493 4.062 1.00 0.68 C ATOM 554 O VAL A 39 -2.960 -7.961 4.966 1.00 0.75 O ATOM 555 CB VAL A 39 -2.794 -5.189 3.285 1.00 0.66 C ATOM 556 CG1 VAL A 39 -2.651 -3.719 3.649 1.00 0.73 C ATOM 557 CG2 VAL A 39 -2.558 -5.388 1.814 1.00 0.54 C ATOM 0 H VAL A 39 -0.328 -5.298 2.817 1.00 0.63 H new ATOM 0 HA VAL A 39 -1.815 -5.697 5.135 1.00 0.67 H new ATOM 0 HB VAL A 39 -3.809 -5.506 3.522 1.00 0.66 H new ATOM 0 HG11 VAL A 39 -3.354 -3.129 3.061 1.00 0.73 H new ATOM 0 HG12 VAL A 39 -2.863 -3.585 4.710 1.00 0.73 H new ATOM 0 HG13 VAL A 39 -1.634 -3.389 3.437 1.00 0.73 H new ATOM 0 HG21 VAL A 39 -3.260 -4.777 1.247 1.00 0.54 H new ATOM 0 HG22 VAL A 39 -1.538 -5.093 1.566 1.00 0.54 H new ATOM 0 HG23 VAL A 39 -2.704 -6.438 1.561 1.00 0.54 H new ATOM 567 N LEU A 40 -1.916 -8.195 3.010 1.00 0.62 N ATOM 568 CA LEU A 40 -2.349 -9.569 2.838 1.00 0.66 C ATOM 569 C LEU A 40 -1.716 -10.515 3.855 1.00 0.72 C ATOM 570 O LEU A 40 -2.346 -11.486 4.278 1.00 0.78 O ATOM 571 CB LEU A 40 -2.131 -10.007 1.394 1.00 0.64 C ATOM 572 CG LEU A 40 -3.380 -9.915 0.537 1.00 0.70 C ATOM 573 CD1 LEU A 40 -4.161 -11.214 0.622 1.00 0.91 C ATOM 574 CD2 LEU A 40 -4.240 -8.772 1.020 1.00 0.71 C ATOM 0 H LEU A 40 -1.325 -7.839 2.258 1.00 0.62 H new ATOM 0 HA LEU A 40 -3.419 -9.619 3.041 1.00 0.66 H new ATOM 0 HB2 LEU A 40 -1.349 -9.390 0.950 1.00 0.64 H new ATOM 0 HB3 LEU A 40 -1.769 -11.035 1.385 1.00 0.64 H new ATOM 0 HG LEU A 40 -3.092 -9.740 -0.500 1.00 0.70 H new ATOM 0 HD11 LEU A 40 -5.056 -11.141 0.005 1.00 0.91 H new ATOM 0 HD12 LEU A 40 -3.540 -12.036 0.265 1.00 0.91 H new ATOM 0 HD13 LEU A 40 -4.448 -11.399 1.657 1.00 0.91 H new ATOM 0 HD21 LEU A 40 -5.137 -8.706 0.404 1.00 0.71 H new ATOM 0 HD22 LEU A 40 -4.524 -8.944 2.058 1.00 0.71 H new ATOM 0 HD23 LEU A 40 -3.680 -7.839 0.947 1.00 0.71 H new ATOM 586 N LYS A 41 -0.496 -10.214 4.277 1.00 0.75 N ATOM 587 CA LYS A 41 0.139 -10.964 5.358 1.00 0.89 C ATOM 588 C LYS A 41 -0.584 -10.703 6.676 1.00 0.98 C ATOM 589 O LYS A 41 -0.466 -11.473 7.624 1.00 1.14 O ATOM 590 CB LYS A 41 1.626 -10.607 5.487 1.00 0.94 C ATOM 591 CG LYS A 41 2.504 -11.219 4.403 1.00 1.19 C ATOM 592 CD LYS A 41 2.572 -12.739 4.498 1.00 1.56 C ATOM 593 CE LYS A 41 3.292 -13.197 5.758 1.00 2.17 C ATOM 594 NZ LYS A 41 3.460 -14.673 5.797 1.00 2.70 N ATOM 0 H LYS A 41 0.073 -9.461 3.892 1.00 0.75 H new ATOM 0 HA LYS A 41 0.069 -12.025 5.117 1.00 0.89 H new ATOM 0 HB2 LYS A 41 1.733 -9.523 5.458 1.00 0.94 H new ATOM 0 HB3 LYS A 41 1.986 -10.937 6.462 1.00 0.94 H new ATOM 0 HG2 LYS A 41 2.118 -10.936 3.424 1.00 1.19 H new ATOM 0 HG3 LYS A 41 3.511 -10.808 4.480 1.00 1.19 H new ATOM 0 HD2 LYS A 41 1.562 -13.149 4.488 1.00 1.56 H new ATOM 0 HD3 LYS A 41 3.086 -13.135 3.622 1.00 1.56 H new ATOM 0 HE2 LYS A 41 4.270 -12.719 5.811 1.00 2.17 H new ATOM 0 HE3 LYS A 41 2.731 -12.873 6.634 1.00 2.17 H new ATOM 0 HZ1 LYS A 41 3.955 -14.943 6.671 1.00 2.70 H new ATOM 0 HZ2 LYS A 41 2.526 -15.129 5.773 1.00 2.70 H new ATOM 0 HZ3 LYS A 41 4.017 -14.981 4.975 1.00 2.70 H new ATOM 608 N LYS A 42 -1.319 -9.598 6.727 1.00 0.97 N ATOM 609 CA LYS A 42 -2.061 -9.219 7.922 1.00 1.13 C ATOM 610 C LYS A 42 -3.294 -10.093 8.062 1.00 1.18 C ATOM 611 O LYS A 42 -3.631 -10.557 9.151 1.00 1.36 O ATOM 612 CB LYS A 42 -2.472 -7.753 7.849 1.00 1.22 C ATOM 613 CG LYS A 42 -1.293 -6.795 7.794 1.00 1.38 C ATOM 614 CD LYS A 42 -1.743 -5.346 7.729 1.00 1.39 C ATOM 615 CE LYS A 42 -0.655 -4.447 7.159 1.00 1.13 C ATOM 616 NZ LYS A 42 0.621 -4.551 7.914 1.00 1.31 N ATOM 0 H LYS A 42 -1.417 -8.946 5.949 1.00 0.97 H new ATOM 0 HA LYS A 42 -1.419 -9.360 8.792 1.00 1.13 H new ATOM 0 HB2 LYS A 42 -3.094 -7.602 6.967 1.00 1.22 H new ATOM 0 HB3 LYS A 42 -3.086 -7.512 8.717 1.00 1.22 H new ATOM 0 HG2 LYS A 42 -0.665 -6.941 8.673 1.00 1.38 H new ATOM 0 HG3 LYS A 42 -0.680 -7.024 6.923 1.00 1.38 H new ATOM 0 HD2 LYS A 42 -2.639 -5.270 7.113 1.00 1.39 H new ATOM 0 HD3 LYS A 42 -2.013 -5.003 8.728 1.00 1.39 H new ATOM 0 HE2 LYS A 42 -0.479 -4.711 6.116 1.00 1.13 H new ATOM 0 HE3 LYS A 42 -0.998 -3.413 7.173 1.00 1.13 H new ATOM 0 HZ1 LYS A 42 1.273 -3.804 7.599 1.00 1.31 H new ATOM 0 HZ2 LYS A 42 0.433 -4.440 8.931 1.00 1.31 H new ATOM 0 HZ3 LYS A 42 1.052 -5.482 7.741 1.00 1.31 H new ATOM 630 N LEU A 43 -3.961 -10.296 6.936 1.00 1.08 N ATOM 631 CA LEU A 43 -5.132 -11.162 6.875 1.00 1.21 C ATOM 632 C LEU A 43 -4.713 -12.578 7.146 1.00 1.21 C ATOM 633 O LEU A 43 -5.442 -13.376 7.734 1.00 1.47 O ATOM 634 CB LEU A 43 -5.725 -11.156 5.478 1.00 1.18 C ATOM 635 CG LEU A 43 -5.962 -9.801 4.868 1.00 1.13 C ATOM 636 CD1 LEU A 43 -6.542 -9.959 3.464 1.00 1.66 C ATOM 637 CD2 LEU A 43 -6.879 -8.958 5.743 1.00 1.72 C ATOM 0 H LEU A 43 -3.710 -9.869 6.044 1.00 1.08 H new ATOM 0 HA LEU A 43 -5.856 -10.801 7.606 1.00 1.21 H new ATOM 0 HB2 LEU A 43 -5.061 -11.717 4.821 1.00 1.18 H new ATOM 0 HB3 LEU A 43 -6.674 -11.691 5.505 1.00 1.18 H new ATOM 0 HG LEU A 43 -5.007 -9.280 4.797 1.00 1.13 H new ATOM 0 HD11 LEU A 43 -6.711 -8.975 3.027 1.00 1.66 H new ATOM 0 HD12 LEU A 43 -5.842 -10.516 2.842 1.00 1.66 H new ATOM 0 HD13 LEU A 43 -7.487 -10.499 3.519 1.00 1.66 H new ATOM 0 HD21 LEU A 43 -7.032 -7.985 5.277 1.00 1.72 H new ATOM 0 HD22 LEU A 43 -7.839 -9.462 5.855 1.00 1.72 H new ATOM 0 HD23 LEU A 43 -6.423 -8.823 6.724 1.00 1.72 H new ATOM 649 N LYS A 44 -3.510 -12.849 6.671 1.00 1.08 N ATOM 650 CA LYS A 44 -2.872 -14.153 6.787 1.00 1.32 C ATOM 651 C LYS A 44 -3.626 -15.185 5.959 1.00 1.38 C ATOM 652 O LYS A 44 -3.554 -16.384 6.226 1.00 1.72 O ATOM 653 CB LYS A 44 -2.796 -14.617 8.248 1.00 1.76 C ATOM 654 CG LYS A 44 -1.988 -13.702 9.153 1.00 2.05 C ATOM 655 CD LYS A 44 -1.974 -14.204 10.591 1.00 2.70 C ATOM 656 CE LYS A 44 -3.374 -14.242 11.188 1.00 3.47 C ATOM 657 NZ LYS A 44 -3.369 -14.716 12.597 1.00 3.94 N ATOM 0 H LYS A 44 -2.937 -12.159 6.185 1.00 1.08 H new ATOM 0 HA LYS A 44 -1.854 -14.056 6.409 1.00 1.32 H new ATOM 0 HB2 LYS A 44 -3.808 -14.699 8.644 1.00 1.76 H new ATOM 0 HB3 LYS A 44 -2.360 -15.616 8.278 1.00 1.76 H new ATOM 0 HG2 LYS A 44 -0.966 -13.632 8.782 1.00 2.05 H new ATOM 0 HG3 LYS A 44 -2.407 -12.696 9.122 1.00 2.05 H new ATOM 0 HD2 LYS A 44 -1.537 -15.202 10.624 1.00 2.70 H new ATOM 0 HD3 LYS A 44 -1.338 -13.558 11.196 1.00 2.70 H new ATOM 0 HE2 LYS A 44 -3.814 -13.246 11.143 1.00 3.47 H new ATOM 0 HE3 LYS A 44 -4.006 -14.897 10.588 1.00 3.47 H new ATOM 0 HZ1 LYS A 44 -4.342 -14.726 12.963 1.00 3.94 H new ATOM 0 HZ2 LYS A 44 -2.973 -15.677 12.639 1.00 3.94 H new ATOM 0 HZ3 LYS A 44 -2.788 -14.077 13.176 1.00 3.94 H new ATOM 671 N MET A 45 -4.347 -14.715 4.945 1.00 1.18 N ATOM 672 CA MET A 45 -5.197 -15.582 4.151 1.00 1.32 C ATOM 673 C MET A 45 -4.868 -15.458 2.673 1.00 1.34 C ATOM 674 O MET A 45 -3.902 -14.795 2.295 1.00 1.49 O ATOM 675 CB MET A 45 -6.673 -15.250 4.396 1.00 1.49 C ATOM 676 CG MET A 45 -7.124 -15.550 5.820 1.00 2.13 C ATOM 677 SD MET A 45 -8.823 -15.045 6.154 1.00 2.99 S ATOM 678 CE MET A 45 -8.647 -13.264 6.212 1.00 3.84 C ATOM 0 H MET A 45 -4.356 -13.736 4.657 1.00 1.18 H new ATOM 0 HA MET A 45 -5.012 -16.612 4.456 1.00 1.32 H new ATOM 0 HB2 MET A 45 -6.842 -14.195 4.182 1.00 1.49 H new ATOM 0 HB3 MET A 45 -7.288 -15.819 3.699 1.00 1.49 H new ATOM 0 HG2 MET A 45 -7.027 -16.620 6.006 1.00 2.13 H new ATOM 0 HG3 MET A 45 -6.458 -15.043 6.519 1.00 2.13 H new ATOM 0 HE1 MET A 45 -9.570 -12.819 6.584 1.00 3.84 H new ATOM 0 HE2 MET A 45 -7.824 -13.001 6.877 1.00 3.84 H new ATOM 0 HE3 MET A 45 -8.440 -12.886 5.211 1.00 3.84 H new ATOM 688 N SER A 46 -5.683 -16.092 1.851 1.00 1.54 N ATOM 689 CA SER A 46 -5.475 -16.100 0.414 1.00 1.86 C ATOM 690 C SER A 46 -5.691 -14.706 -0.167 1.00 1.76 C ATOM 691 O SER A 46 -6.437 -13.891 0.388 1.00 1.40 O ATOM 692 CB SER A 46 -6.434 -17.104 -0.240 1.00 2.24 C ATOM 693 OG SER A 46 -6.338 -17.071 -1.653 1.00 2.66 O ATOM 0 H SER A 46 -6.504 -16.614 2.158 1.00 1.54 H new ATOM 0 HA SER A 46 -4.447 -16.399 0.208 1.00 1.86 H new ATOM 0 HB2 SER A 46 -6.209 -18.109 0.117 1.00 2.24 H new ATOM 0 HB3 SER A 46 -7.457 -16.880 0.061 1.00 2.24 H new ATOM 0 HG SER A 46 -6.960 -17.723 -2.038 1.00 2.66 H new ATOM 699 N SER A 47 -5.028 -14.446 -1.289 1.00 2.16 N ATOM 700 CA SER A 47 -5.127 -13.167 -1.976 1.00 2.23 C ATOM 701 C SER A 47 -6.558 -12.904 -2.427 1.00 1.98 C ATOM 702 O SER A 47 -6.939 -11.766 -2.701 1.00 1.81 O ATOM 703 CB SER A 47 -4.174 -13.149 -3.171 1.00 2.85 C ATOM 704 OG SER A 47 -2.849 -13.452 -2.760 1.00 3.11 O ATOM 0 H SER A 47 -4.409 -15.116 -1.745 1.00 2.16 H new ATOM 0 HA SER A 47 -4.844 -12.374 -1.284 1.00 2.23 H new ATOM 0 HB2 SER A 47 -4.504 -13.873 -3.916 1.00 2.85 H new ATOM 0 HB3 SER A 47 -4.197 -12.169 -3.647 1.00 2.85 H new ATOM 0 HG SER A 47 -2.254 -13.438 -3.538 1.00 3.11 H new ATOM 710 N ARG A 48 -7.353 -13.964 -2.485 1.00 2.09 N ATOM 711 CA ARG A 48 -8.747 -13.848 -2.868 1.00 2.06 C ATOM 712 C ARG A 48 -9.596 -13.355 -1.709 1.00 1.67 C ATOM 713 O ARG A 48 -10.651 -12.760 -1.920 1.00 1.70 O ATOM 714 CB ARG A 48 -9.276 -15.185 -3.363 1.00 2.55 C ATOM 715 CG ARG A 48 -10.697 -15.127 -3.915 1.00 2.87 C ATOM 716 CD ARG A 48 -10.819 -14.133 -5.061 1.00 3.14 C ATOM 717 NE ARG A 48 -9.925 -14.464 -6.169 1.00 3.88 N ATOM 718 CZ ARG A 48 -9.805 -13.740 -7.280 1.00 4.48 C ATOM 719 NH1 ARG A 48 -10.565 -12.671 -7.471 1.00 4.50 N ATOM 720 NH2 ARG A 48 -8.933 -14.097 -8.214 1.00 5.29 N ATOM 0 H ARG A 48 -7.052 -14.915 -2.270 1.00 2.09 H new ATOM 0 HA ARG A 48 -8.810 -13.118 -3.675 1.00 2.06 H new ATOM 0 HB2 ARG A 48 -8.611 -15.561 -4.140 1.00 2.55 H new ATOM 0 HB3 ARG A 48 -9.245 -15.902 -2.543 1.00 2.55 H new ATOM 0 HG2 ARG A 48 -10.993 -16.118 -4.260 1.00 2.87 H new ATOM 0 HG3 ARG A 48 -11.386 -14.848 -3.117 1.00 2.87 H new ATOM 0 HD2 ARG A 48 -11.849 -14.116 -5.418 1.00 3.14 H new ATOM 0 HD3 ARG A 48 -10.591 -13.131 -4.698 1.00 3.14 H new ATOM 0 HE ARG A 48 -9.355 -15.306 -6.086 1.00 3.88 H new ATOM 0 HH11 ARG A 48 -11.248 -12.398 -6.764 1.00 4.50 H new ATOM 0 HH12 ARG A 48 -10.467 -12.122 -8.325 1.00 4.50 H new ATOM 0 HH21 ARG A 48 -8.354 -14.926 -8.081 1.00 5.29 H new ATOM 0 HH22 ARG A 48 -8.841 -13.542 -9.065 1.00 5.29 H new ATOM 734 N ILE A 49 -9.121 -13.556 -0.487 1.00 1.42 N ATOM 735 CA ILE A 49 -9.907 -13.193 0.678 1.00 1.20 C ATOM 736 C ILE A 49 -9.931 -11.692 0.795 1.00 0.87 C ATOM 737 O ILE A 49 -10.917 -11.095 1.216 1.00 0.99 O ATOM 738 CB ILE A 49 -9.344 -13.813 1.977 1.00 1.18 C ATOM 739 CG1 ILE A 49 -9.234 -15.329 1.832 1.00 1.60 C ATOM 740 CG2 ILE A 49 -10.229 -13.459 3.165 1.00 1.34 C ATOM 741 CD1 ILE A 49 -10.463 -15.956 1.235 1.00 2.01 C ATOM 0 H ILE A 49 -8.209 -13.963 -0.281 1.00 1.42 H new ATOM 0 HA ILE A 49 -10.916 -13.585 0.547 1.00 1.20 H new ATOM 0 HB ILE A 49 -8.349 -13.404 2.154 1.00 1.18 H new ATOM 0 HG12 ILE A 49 -8.373 -15.567 1.208 1.00 1.60 H new ATOM 0 HG13 ILE A 49 -9.049 -15.769 2.812 1.00 1.60 H new ATOM 0 HG21 ILE A 49 -9.817 -13.904 4.071 1.00 1.34 H new ATOM 0 HG22 ILE A 49 -10.269 -12.376 3.279 1.00 1.34 H new ATOM 0 HG23 ILE A 49 -11.235 -13.844 2.997 1.00 1.34 H new ATOM 0 HD11 ILE A 49 -10.321 -17.034 1.159 1.00 2.01 H new ATOM 0 HD12 ILE A 49 -11.323 -15.747 1.871 1.00 2.01 H new ATOM 0 HD13 ILE A 49 -10.637 -15.542 0.242 1.00 2.01 H new ATOM 753 N PHE A 50 -8.826 -11.103 0.401 1.00 0.72 N ATOM 754 CA PHE A 50 -8.722 -9.658 0.286 1.00 0.76 C ATOM 755 C PHE A 50 -9.842 -9.094 -0.582 1.00 0.85 C ATOM 756 O PHE A 50 -10.688 -8.360 -0.095 1.00 0.98 O ATOM 757 CB PHE A 50 -7.370 -9.252 -0.294 1.00 1.04 C ATOM 758 CG PHE A 50 -7.214 -7.765 -0.455 1.00 1.93 C ATOM 759 CD1 PHE A 50 -7.086 -6.941 0.652 1.00 2.37 C ATOM 760 CD2 PHE A 50 -7.195 -7.192 -1.716 1.00 2.49 C ATOM 761 CE1 PHE A 50 -6.941 -5.576 0.504 1.00 3.31 C ATOM 762 CE2 PHE A 50 -7.051 -5.827 -1.871 1.00 3.40 C ATOM 763 CZ PHE A 50 -6.928 -5.017 -0.745 1.00 3.80 C ATOM 0 H PHE A 50 -7.974 -11.605 0.151 1.00 0.72 H new ATOM 0 HA PHE A 50 -8.814 -9.244 1.290 1.00 0.76 H new ATOM 0 HB2 PHE A 50 -6.577 -9.625 0.354 1.00 1.04 H new ATOM 0 HB3 PHE A 50 -7.240 -9.731 -1.264 1.00 1.04 H new ATOM 0 HD1 PHE A 50 -7.100 -7.372 1.642 1.00 2.37 H new ATOM 0 HD2 PHE A 50 -7.294 -7.820 -2.589 1.00 2.49 H new ATOM 0 HE1 PHE A 50 -6.838 -4.948 1.376 1.00 3.31 H new ATOM 0 HE2 PHE A 50 -7.034 -5.391 -2.859 1.00 3.40 H new ATOM 0 HZ PHE A 50 -6.822 -3.948 -0.857 1.00 3.80 H new ATOM 773 N ARG A 51 -9.847 -9.448 -1.865 1.00 0.99 N ATOM 774 CA ARG A 51 -10.824 -8.892 -2.802 1.00 1.15 C ATOM 775 C ARG A 51 -12.249 -9.342 -2.469 1.00 1.10 C ATOM 776 O ARG A 51 -13.207 -8.620 -2.726 1.00 1.18 O ATOM 777 CB ARG A 51 -10.471 -9.252 -4.245 1.00 1.49 C ATOM 778 CG ARG A 51 -11.158 -8.354 -5.264 1.00 1.76 C ATOM 779 CD ARG A 51 -10.627 -8.575 -6.671 1.00 2.01 C ATOM 780 NE ARG A 51 -11.184 -7.611 -7.622 1.00 2.80 N ATOM 781 CZ ARG A 51 -11.014 -7.674 -8.942 1.00 3.42 C ATOM 782 NH1 ARG A 51 -10.302 -8.656 -9.483 1.00 3.47 N ATOM 783 NH2 ARG A 51 -11.550 -6.746 -9.724 1.00 4.37 N ATOM 0 H ARG A 51 -9.192 -10.112 -2.279 1.00 0.99 H new ATOM 0 HA ARG A 51 -10.786 -7.808 -2.699 1.00 1.15 H new ATOM 0 HB2 ARG A 51 -9.391 -9.184 -4.378 1.00 1.49 H new ATOM 0 HB3 ARG A 51 -10.751 -10.288 -4.434 1.00 1.49 H new ATOM 0 HG2 ARG A 51 -12.231 -8.543 -5.248 1.00 1.76 H new ATOM 0 HG3 ARG A 51 -11.014 -7.311 -4.982 1.00 1.76 H new ATOM 0 HD2 ARG A 51 -9.540 -8.493 -6.666 1.00 2.01 H new ATOM 0 HD3 ARG A 51 -10.869 -9.587 -6.996 1.00 2.01 H new ATOM 0 HE ARG A 51 -11.739 -6.840 -7.249 1.00 2.80 H new ATOM 0 HH11 ARG A 51 -9.881 -9.369 -8.887 1.00 3.47 H new ATOM 0 HH12 ARG A 51 -10.176 -8.697 -10.494 1.00 3.47 H new ATOM 0 HH21 ARG A 51 -12.092 -5.985 -9.315 1.00 4.37 H new ATOM 0 HH22 ARG A 51 -11.420 -6.794 -10.735 1.00 4.37 H new ATOM 797 N SER A 52 -12.385 -10.535 -1.905 1.00 1.14 N ATOM 798 CA SER A 52 -13.689 -11.035 -1.481 1.00 1.32 C ATOM 799 C SER A 52 -14.228 -10.212 -0.308 1.00 1.31 C ATOM 800 O SER A 52 -15.442 -10.060 -0.139 1.00 1.54 O ATOM 801 CB SER A 52 -13.578 -12.508 -1.089 1.00 1.52 C ATOM 802 OG SER A 52 -14.806 -13.019 -0.598 1.00 1.78 O ATOM 0 H SER A 52 -11.610 -11.175 -1.730 1.00 1.14 H new ATOM 0 HA SER A 52 -14.387 -10.940 -2.313 1.00 1.32 H new ATOM 0 HB2 SER A 52 -13.262 -13.091 -1.954 1.00 1.52 H new ATOM 0 HB3 SER A 52 -12.806 -12.624 -0.328 1.00 1.52 H new ATOM 0 HG SER A 52 -14.695 -13.963 -0.359 1.00 1.78 H new ATOM 808 N ASN A 53 -13.314 -9.684 0.494 1.00 1.17 N ATOM 809 CA ASN A 53 -13.673 -8.900 1.668 1.00 1.34 C ATOM 810 C ASN A 53 -13.767 -7.428 1.299 1.00 1.35 C ATOM 811 O ASN A 53 -14.722 -6.735 1.654 1.00 1.64 O ATOM 812 CB ASN A 53 -12.611 -9.086 2.748 1.00 1.39 C ATOM 813 CG ASN A 53 -13.141 -8.891 4.152 1.00 1.76 C ATOM 814 OD1 ASN A 53 -14.090 -8.141 4.385 1.00 2.37 O ATOM 815 ND2 ASN A 53 -12.521 -9.573 5.101 1.00 1.98 N ATOM 0 H ASN A 53 -12.309 -9.786 0.351 1.00 1.17 H new ATOM 0 HA ASN A 53 -14.639 -9.238 2.042 1.00 1.34 H new ATOM 0 HB2 ASN A 53 -12.188 -10.087 2.663 1.00 1.39 H new ATOM 0 HB3 ASN A 53 -11.798 -8.381 2.573 1.00 1.39 H new ATOM 0 HD21 ASN A 53 -12.825 -9.489 6.071 1.00 1.98 H new ATOM 0 HD22 ASN A 53 -11.739 -10.183 4.863 1.00 1.98 H new ATOM 822 N PHE A 54 -12.756 -6.963 0.583 1.00 1.14 N ATOM 823 CA PHE A 54 -12.674 -5.588 0.144 1.00 1.20 C ATOM 824 C PHE A 54 -12.615 -5.521 -1.384 1.00 1.00 C ATOM 825 O PHE A 54 -11.560 -5.244 -1.954 1.00 0.97 O ATOM 826 CB PHE A 54 -11.418 -4.928 0.732 1.00 1.43 C ATOM 827 CG PHE A 54 -11.127 -5.316 2.158 1.00 2.05 C ATOM 828 CD1 PHE A 54 -11.848 -4.769 3.204 1.00 2.58 C ATOM 829 CD2 PHE A 54 -10.127 -6.234 2.447 1.00 2.19 C ATOM 830 CE1 PHE A 54 -11.579 -5.128 4.513 1.00 3.21 C ATOM 831 CE2 PHE A 54 -9.854 -6.596 3.752 1.00 2.81 C ATOM 832 CZ PHE A 54 -10.582 -6.042 4.786 1.00 3.31 C ATOM 0 H PHE A 54 -11.965 -7.537 0.290 1.00 1.14 H new ATOM 0 HA PHE A 54 -13.561 -5.058 0.490 1.00 1.20 H new ATOM 0 HB2 PHE A 54 -10.560 -5.191 0.113 1.00 1.43 H new ATOM 0 HB3 PHE A 54 -11.531 -3.845 0.678 1.00 1.43 H new ATOM 0 HD1 PHE A 54 -12.630 -4.053 2.997 1.00 2.58 H new ATOM 0 HD2 PHE A 54 -9.555 -6.671 1.642 1.00 2.19 H new ATOM 0 HE1 PHE A 54 -12.149 -4.693 5.321 1.00 3.21 H new ATOM 0 HE2 PHE A 54 -9.073 -7.311 3.963 1.00 2.81 H new ATOM 0 HZ PHE A 54 -10.371 -6.324 5.807 1.00 3.31 H new ATOM 842 N PRO A 55 -13.749 -5.757 -2.076 1.00 1.06 N ATOM 843 CA PRO A 55 -13.819 -5.651 -3.542 1.00 1.07 C ATOM 844 C PRO A 55 -13.766 -4.193 -3.976 1.00 0.98 C ATOM 845 O PRO A 55 -13.793 -3.858 -5.159 1.00 1.07 O ATOM 846 CB PRO A 55 -15.172 -6.272 -3.880 1.00 1.38 C ATOM 847 CG PRO A 55 -15.999 -6.060 -2.661 1.00 1.52 C ATOM 848 CD PRO A 55 -15.052 -6.140 -1.495 1.00 1.32 C ATOM 0 HA PRO A 55 -12.989 -6.145 -4.047 1.00 1.07 H new ATOM 0 HB2 PRO A 55 -15.621 -5.794 -4.751 1.00 1.38 H new ATOM 0 HB3 PRO A 55 -15.074 -7.332 -4.113 1.00 1.38 H new ATOM 0 HG2 PRO A 55 -16.498 -5.091 -2.692 1.00 1.52 H new ATOM 0 HG3 PRO A 55 -16.779 -6.818 -2.582 1.00 1.52 H new ATOM 0 HD2 PRO A 55 -15.347 -5.464 -0.692 1.00 1.32 H new ATOM 0 HD3 PRO A 55 -15.022 -7.144 -1.071 1.00 1.32 H new ATOM 856 N ASN A 56 -13.695 -3.345 -2.969 1.00 0.94 N ATOM 857 CA ASN A 56 -13.621 -1.906 -3.126 1.00 1.00 C ATOM 858 C ASN A 56 -12.180 -1.462 -3.335 1.00 0.86 C ATOM 859 O ASN A 56 -11.900 -0.271 -3.416 1.00 1.06 O ATOM 860 CB ASN A 56 -14.205 -1.238 -1.874 1.00 1.23 C ATOM 861 CG ASN A 56 -14.097 -2.134 -0.645 1.00 1.39 C ATOM 862 OD1 ASN A 56 -12.957 -2.109 0.032 1.00 2.00 O flip ATOM 863 ND2 ASN A 56 -15.027 -2.870 -0.318 1.00 1.37 N flip ATOM 0 H ASN A 56 -13.687 -3.645 -1.994 1.00 0.94 H new ATOM 0 HA ASN A 56 -14.195 -1.610 -4.004 1.00 1.00 H new ATOM 0 HB2 ASN A 56 -13.682 -0.300 -1.686 1.00 1.23 H new ATOM 0 HB3 ASN A 56 -15.251 -0.989 -2.051 1.00 1.23 H new ATOM 0 HD21 ASN A 56 -15.893 -2.868 -0.857 1.00 1.37 H new ATOM 0 HD22 ASN A 56 -14.932 -3.482 0.493 1.00 1.37 H new ATOM 870 N VAL A 57 -11.270 -2.426 -3.401 1.00 0.68 N ATOM 871 CA VAL A 57 -9.852 -2.142 -3.574 1.00 0.70 C ATOM 872 C VAL A 57 -9.269 -3.056 -4.657 1.00 0.62 C ATOM 873 O VAL A 57 -9.837 -4.108 -4.957 1.00 0.77 O ATOM 874 CB VAL A 57 -9.072 -2.343 -2.247 1.00 0.82 C ATOM 875 CG1 VAL A 57 -7.639 -1.840 -2.361 1.00 1.11 C ATOM 876 CG2 VAL A 57 -9.773 -1.653 -1.085 1.00 1.04 C ATOM 0 H VAL A 57 -11.492 -3.419 -3.337 1.00 0.68 H new ATOM 0 HA VAL A 57 -9.749 -1.100 -3.876 1.00 0.70 H new ATOM 0 HB VAL A 57 -9.046 -3.415 -2.052 1.00 0.82 H new ATOM 0 HG11 VAL A 57 -7.122 -1.996 -1.414 1.00 1.11 H new ATOM 0 HG12 VAL A 57 -7.123 -2.387 -3.150 1.00 1.11 H new ATOM 0 HG13 VAL A 57 -7.645 -0.777 -2.600 1.00 1.11 H new ATOM 0 HG21 VAL A 57 -9.203 -1.812 -0.170 1.00 1.04 H new ATOM 0 HG22 VAL A 57 -9.845 -0.584 -1.287 1.00 1.04 H new ATOM 0 HG23 VAL A 57 -10.774 -2.068 -0.966 1.00 1.04 H new ATOM 886 N GLU A 58 -8.129 -2.662 -5.217 1.00 0.66 N ATOM 887 CA GLU A 58 -7.459 -3.411 -6.231 1.00 0.62 C ATOM 888 C GLU A 58 -5.980 -3.155 -6.253 1.00 0.57 C ATOM 889 O GLU A 58 -5.475 -2.165 -5.720 1.00 0.61 O ATOM 890 CB GLU A 58 -8.047 -3.126 -7.581 1.00 0.73 C ATOM 891 CG GLU A 58 -8.775 -4.333 -8.009 1.00 1.30 C ATOM 892 CD GLU A 58 -9.851 -4.078 -9.040 1.00 1.78 C ATOM 893 OE1 GLU A 58 -10.960 -3.652 -8.664 1.00 2.30 O ATOM 894 OE2 GLU A 58 -9.590 -4.306 -10.241 1.00 2.35 O ATOM 0 H GLU A 58 -7.652 -1.797 -4.963 1.00 0.66 H new ATOM 0 HA GLU A 58 -7.606 -4.463 -5.988 1.00 0.62 H new ATOM 0 HB2 GLU A 58 -8.719 -2.269 -7.534 1.00 0.73 H new ATOM 0 HB3 GLU A 58 -7.263 -2.877 -8.296 1.00 0.73 H new ATOM 0 HG2 GLU A 58 -8.061 -5.049 -8.416 1.00 1.30 H new ATOM 0 HG3 GLU A 58 -9.229 -4.798 -7.134 1.00 1.30 H new ATOM 901 N ILE A 59 -5.307 -4.091 -6.881 1.00 0.55 N ATOM 902 CA ILE A 59 -3.869 -4.227 -6.748 1.00 0.51 C ATOM 903 C ILE A 59 -3.118 -3.541 -7.882 1.00 0.52 C ATOM 904 O ILE A 59 -3.662 -3.290 -8.957 1.00 0.70 O ATOM 905 CB ILE A 59 -3.447 -5.714 -6.701 1.00 0.54 C ATOM 906 CG1 ILE A 59 -4.585 -6.606 -6.171 1.00 0.73 C ATOM 907 CG2 ILE A 59 -2.203 -5.881 -5.839 1.00 0.52 C ATOM 908 CD1 ILE A 59 -5.123 -6.197 -4.812 1.00 0.64 C ATOM 0 H ILE A 59 -5.737 -4.780 -7.498 1.00 0.55 H new ATOM 0 HA ILE A 59 -3.606 -3.740 -5.809 1.00 0.51 H new ATOM 0 HB ILE A 59 -3.221 -6.030 -7.720 1.00 0.54 H new ATOM 0 HG12 ILE A 59 -5.404 -6.595 -6.890 1.00 0.73 H new ATOM 0 HG13 ILE A 59 -4.227 -7.634 -6.112 1.00 0.73 H new ATOM 0 HG21 ILE A 59 -1.916 -6.932 -5.814 1.00 0.52 H new ATOM 0 HG22 ILE A 59 -1.388 -5.292 -6.259 1.00 0.52 H new ATOM 0 HG23 ILE A 59 -2.414 -5.538 -4.826 1.00 0.52 H new ATOM 0 HD11 ILE A 59 -5.920 -6.879 -4.516 1.00 0.64 H new ATOM 0 HD12 ILE A 59 -4.320 -6.237 -4.076 1.00 0.64 H new ATOM 0 HD13 ILE A 59 -5.515 -5.182 -4.867 1.00 0.64 H new ATOM 920 N VAL A 60 -1.868 -3.243 -7.610 1.00 0.51 N ATOM 921 CA VAL A 60 -0.946 -2.715 -8.590 1.00 0.50 C ATOM 922 C VAL A 60 0.434 -3.266 -8.276 1.00 0.44 C ATOM 923 O VAL A 60 0.638 -3.875 -7.223 1.00 0.41 O ATOM 924 CB VAL A 60 -0.901 -1.172 -8.550 1.00 0.52 C ATOM 925 CG1 VAL A 60 -0.159 -0.698 -7.313 1.00 0.48 C ATOM 926 CG2 VAL A 60 -0.278 -0.595 -9.812 1.00 0.55 C ATOM 0 H VAL A 60 -1.456 -3.363 -6.685 1.00 0.51 H new ATOM 0 HA VAL A 60 -1.274 -3.012 -9.586 1.00 0.50 H new ATOM 0 HB VAL A 60 -1.927 -0.809 -8.502 1.00 0.52 H new ATOM 0 HG11 VAL A 60 -0.135 0.392 -7.298 1.00 0.48 H new ATOM 0 HG12 VAL A 60 -0.669 -1.062 -6.421 1.00 0.48 H new ATOM 0 HG13 VAL A 60 0.861 -1.083 -7.330 1.00 0.48 H new ATOM 0 HG21 VAL A 60 -0.264 0.493 -9.746 1.00 0.55 H new ATOM 0 HG22 VAL A 60 0.742 -0.965 -9.916 1.00 0.55 H new ATOM 0 HG23 VAL A 60 -0.865 -0.899 -10.679 1.00 0.55 H new ATOM 936 N THR A 61 1.370 -3.061 -9.169 1.00 0.43 N ATOM 937 CA THR A 61 2.736 -3.473 -8.936 1.00 0.39 C ATOM 938 C THR A 61 3.734 -2.532 -9.512 1.00 0.39 C ATOM 939 O THR A 61 3.623 -2.065 -10.646 1.00 0.44 O ATOM 940 CB THR A 61 3.037 -4.849 -9.506 1.00 0.42 C ATOM 941 OG1 THR A 61 2.185 -5.123 -10.627 1.00 0.48 O ATOM 942 CG2 THR A 61 2.879 -5.911 -8.453 1.00 0.42 C ATOM 0 H THR A 61 1.212 -2.609 -10.070 1.00 0.43 H new ATOM 0 HA THR A 61 2.825 -3.487 -7.850 1.00 0.39 H new ATOM 0 HB THR A 61 4.073 -4.859 -9.845 1.00 0.42 H new ATOM 0 HG1 THR A 61 2.168 -4.345 -11.223 1.00 0.48 H new ATOM 0 HG21 THR A 61 3.100 -6.887 -8.885 1.00 0.42 H new ATOM 0 HG22 THR A 61 3.567 -5.714 -7.631 1.00 0.42 H new ATOM 0 HG23 THR A 61 1.855 -5.903 -8.079 1.00 0.42 H new ATOM 950 N ILE A 62 4.705 -2.257 -8.688 1.00 0.35 N ATOM 951 CA ILE A 62 5.915 -1.650 -9.123 1.00 0.37 C ATOM 952 C ILE A 62 6.968 -2.761 -9.155 1.00 0.35 C ATOM 953 O ILE A 62 6.692 -3.851 -8.668 1.00 0.35 O ATOM 954 CB ILE A 62 6.296 -0.450 -8.201 1.00 0.40 C ATOM 955 CG1 ILE A 62 6.456 -0.867 -6.738 1.00 0.38 C ATOM 956 CG2 ILE A 62 5.215 0.609 -8.257 1.00 0.46 C ATOM 957 CD1 ILE A 62 7.756 -1.518 -6.441 1.00 0.39 C ATOM 0 H ILE A 62 4.671 -2.453 -7.687 1.00 0.35 H new ATOM 0 HA ILE A 62 5.823 -1.214 -10.118 1.00 0.37 H new ATOM 0 HB ILE A 62 7.249 -0.068 -8.568 1.00 0.40 H new ATOM 0 HG12 ILE A 62 6.348 0.014 -6.105 1.00 0.38 H new ATOM 0 HG13 ILE A 62 5.649 -1.550 -6.474 1.00 0.38 H new ATOM 0 HG21 ILE A 62 5.489 1.443 -7.611 1.00 0.46 H new ATOM 0 HG22 ILE A 62 5.107 0.964 -9.282 1.00 0.46 H new ATOM 0 HG23 ILE A 62 4.270 0.183 -7.919 1.00 0.46 H new ATOM 0 HD11 ILE A 62 7.796 -1.785 -5.385 1.00 0.39 H new ATOM 0 HD12 ILE A 62 7.859 -2.418 -7.047 1.00 0.39 H new ATOM 0 HD13 ILE A 62 8.569 -0.830 -6.672 1.00 0.39 H new ATOM 969 N ALA A 63 8.096 -2.562 -9.815 1.00 0.38 N ATOM 970 CA ALA A 63 9.177 -3.562 -9.794 1.00 0.37 C ATOM 971 C ALA A 63 9.848 -3.686 -8.428 1.00 0.33 C ATOM 972 O ALA A 63 9.994 -2.695 -7.736 1.00 0.32 O ATOM 973 CB ALA A 63 10.204 -3.277 -10.856 1.00 0.40 C ATOM 0 H ALA A 63 8.297 -1.730 -10.370 1.00 0.38 H new ATOM 0 HA ALA A 63 8.704 -4.521 -10.007 1.00 0.37 H new ATOM 0 HB1 ALA A 63 10.989 -4.032 -10.815 1.00 0.40 H new ATOM 0 HB2 ALA A 63 9.729 -3.300 -11.837 1.00 0.40 H new ATOM 0 HB3 ALA A 63 10.639 -2.292 -10.686 1.00 0.40 H new ATOM 979 N GLU A 64 10.270 -4.891 -8.037 1.00 0.35 N ATOM 980 CA GLU A 64 10.967 -5.086 -6.759 1.00 0.34 C ATOM 981 C GLU A 64 12.088 -4.080 -6.568 1.00 0.33 C ATOM 982 O GLU A 64 12.200 -3.428 -5.524 1.00 0.35 O ATOM 983 CB GLU A 64 11.517 -6.503 -6.668 1.00 0.42 C ATOM 984 CG GLU A 64 10.601 -7.430 -5.911 1.00 0.46 C ATOM 985 CD GLU A 64 11.121 -8.849 -5.822 1.00 0.81 C ATOM 986 OE1 GLU A 64 11.790 -9.303 -6.771 1.00 1.01 O ATOM 987 OE2 GLU A 64 10.857 -9.516 -4.800 1.00 1.23 O ATOM 0 H GLU A 64 10.143 -5.744 -8.582 1.00 0.35 H new ATOM 0 HA GLU A 64 10.240 -4.929 -5.962 1.00 0.34 H new ATOM 0 HB2 GLU A 64 11.674 -6.894 -7.673 1.00 0.42 H new ATOM 0 HB3 GLU A 64 12.491 -6.481 -6.179 1.00 0.42 H new ATOM 0 HG2 GLU A 64 10.454 -7.041 -4.903 1.00 0.46 H new ATOM 0 HG3 GLU A 64 9.624 -7.439 -6.395 1.00 0.46 H new ATOM 994 N ALA A 65 12.892 -3.963 -7.603 1.00 0.33 N ATOM 995 CA ALA A 65 13.995 -3.002 -7.654 1.00 0.36 C ATOM 996 C ALA A 65 13.544 -1.581 -7.291 1.00 0.36 C ATOM 997 O ALA A 65 14.320 -0.800 -6.738 1.00 0.42 O ATOM 998 CB ALA A 65 14.612 -3.009 -9.039 1.00 0.39 C ATOM 0 H ALA A 65 12.805 -4.533 -8.444 1.00 0.33 H new ATOM 0 HA ALA A 65 14.734 -3.308 -6.913 1.00 0.36 H new ATOM 0 HB1 ALA A 65 15.433 -2.293 -9.075 1.00 0.39 H new ATOM 0 HB2 ALA A 65 14.990 -4.006 -9.264 1.00 0.39 H new ATOM 0 HB3 ALA A 65 13.857 -2.733 -9.775 1.00 0.39 H new ATOM 1004 N GLU A 66 12.285 -1.268 -7.583 1.00 0.34 N ATOM 1005 CA GLU A 66 11.724 0.062 -7.337 1.00 0.37 C ATOM 1006 C GLU A 66 11.540 0.329 -5.853 1.00 0.38 C ATOM 1007 O GLU A 66 12.151 1.240 -5.296 1.00 0.45 O ATOM 1008 CB GLU A 66 10.353 0.156 -7.979 1.00 0.38 C ATOM 1009 CG GLU A 66 10.337 0.308 -9.470 1.00 0.59 C ATOM 1010 CD GLU A 66 10.945 1.609 -9.934 1.00 0.80 C ATOM 1011 OE1 GLU A 66 10.230 2.629 -9.957 1.00 1.40 O ATOM 1012 OE2 GLU A 66 12.145 1.621 -10.274 1.00 0.94 O ATOM 0 H GLU A 66 11.624 -1.926 -7.996 1.00 0.34 H new ATOM 0 HA GLU A 66 12.420 0.789 -7.755 1.00 0.37 H new ATOM 0 HB2 GLU A 66 9.789 -0.740 -7.718 1.00 0.38 H new ATOM 0 HB3 GLU A 66 9.825 1.003 -7.541 1.00 0.38 H new ATOM 0 HG2 GLU A 66 10.880 -0.522 -9.921 1.00 0.59 H new ATOM 0 HG3 GLU A 66 9.308 0.246 -9.826 1.00 0.59 H new ATOM 1019 N PHE A 67 10.687 -0.478 -5.221 1.00 0.34 N ATOM 1020 CA PHE A 67 10.352 -0.287 -3.818 1.00 0.36 C ATOM 1021 C PHE A 67 11.613 -0.368 -2.971 1.00 0.37 C ATOM 1022 O PHE A 67 11.830 0.461 -2.091 1.00 0.53 O ATOM 1023 CB PHE A 67 9.292 -1.313 -3.363 1.00 0.39 C ATOM 1024 CG PHE A 67 9.006 -1.308 -1.887 1.00 0.65 C ATOM 1025 CD1 PHE A 67 8.096 -0.417 -1.341 1.00 0.97 C ATOM 1026 CD2 PHE A 67 9.662 -2.191 -1.043 1.00 0.80 C ATOM 1027 CE1 PHE A 67 7.845 -0.407 0.017 1.00 1.30 C ATOM 1028 CE2 PHE A 67 9.413 -2.186 0.316 1.00 1.17 C ATOM 1029 CZ PHE A 67 8.453 -1.309 0.837 1.00 1.39 C ATOM 0 H PHE A 67 10.218 -1.269 -5.662 1.00 0.34 H new ATOM 0 HA PHE A 67 9.917 0.704 -3.686 1.00 0.36 H new ATOM 0 HB2 PHE A 67 8.364 -1.118 -3.900 1.00 0.39 H new ATOM 0 HB3 PHE A 67 9.624 -2.310 -3.652 1.00 0.39 H new ATOM 0 HD1 PHE A 67 7.577 0.278 -1.985 1.00 0.97 H new ATOM 0 HD2 PHE A 67 10.376 -2.891 -1.452 1.00 0.80 H new ATOM 0 HE1 PHE A 67 7.163 0.320 0.431 1.00 1.30 H new ATOM 0 HE2 PHE A 67 9.954 -2.853 0.971 1.00 1.17 H new ATOM 0 HZ PHE A 67 8.196 -1.348 1.885 1.00 1.39 H new ATOM 1039 N TYR A 68 12.470 -1.333 -3.288 1.00 0.30 N ATOM 1040 CA TYR A 68 13.710 -1.528 -2.546 1.00 0.33 C ATOM 1041 C TYR A 68 14.584 -0.276 -2.594 1.00 0.34 C ATOM 1042 O TYR A 68 15.158 0.122 -1.581 1.00 0.43 O ATOM 1043 CB TYR A 68 14.485 -2.727 -3.103 1.00 0.39 C ATOM 1044 CG TYR A 68 15.837 -2.937 -2.451 1.00 0.85 C ATOM 1045 CD1 TYR A 68 15.952 -3.597 -1.234 1.00 1.01 C ATOM 1046 CD2 TYR A 68 16.998 -2.467 -3.053 1.00 1.35 C ATOM 1047 CE1 TYR A 68 17.183 -3.785 -0.638 1.00 1.47 C ATOM 1048 CE2 TYR A 68 18.232 -2.652 -2.461 1.00 1.84 C ATOM 1049 CZ TYR A 68 18.320 -3.312 -1.256 1.00 1.86 C ATOM 1050 OH TYR A 68 19.547 -3.495 -0.662 1.00 2.37 O ATOM 0 H TYR A 68 12.328 -1.992 -4.054 1.00 0.30 H new ATOM 0 HA TYR A 68 13.448 -1.725 -1.506 1.00 0.33 H new ATOM 0 HB2 TYR A 68 13.885 -3.628 -2.973 1.00 0.39 H new ATOM 0 HB3 TYR A 68 14.626 -2.590 -4.175 1.00 0.39 H new ATOM 0 HD1 TYR A 68 15.063 -3.969 -0.746 1.00 1.01 H new ATOM 0 HD2 TYR A 68 16.934 -1.949 -3.999 1.00 1.35 H new ATOM 0 HE1 TYR A 68 17.254 -4.300 0.308 1.00 1.47 H new ATOM 0 HE2 TYR A 68 19.125 -2.280 -2.942 1.00 1.84 H new ATOM 0 HH TYR A 68 20.246 -3.104 -1.227 1.00 2.37 H new ATOM 1060 N ARG A 69 14.661 0.347 -3.768 1.00 0.42 N ATOM 1061 CA ARG A 69 15.528 1.484 -3.997 1.00 0.51 C ATOM 1062 C ARG A 69 15.247 2.627 -3.022 1.00 0.60 C ATOM 1063 O ARG A 69 16.172 3.215 -2.460 1.00 0.69 O ATOM 1064 CB ARG A 69 15.322 1.951 -5.431 1.00 0.70 C ATOM 1065 CG ARG A 69 16.149 3.146 -5.830 1.00 1.16 C ATOM 1066 CD ARG A 69 17.635 2.833 -5.847 1.00 1.64 C ATOM 1067 NE ARG A 69 18.439 4.011 -6.171 1.00 2.32 N ATOM 1068 CZ ARG A 69 19.771 4.013 -6.238 1.00 3.19 C ATOM 1069 NH1 ARG A 69 20.455 2.890 -6.052 1.00 3.58 N ATOM 1070 NH2 ARG A 69 20.416 5.139 -6.510 1.00 4.04 N ATOM 0 H ARG A 69 14.118 0.070 -4.586 1.00 0.42 H new ATOM 0 HA ARG A 69 16.562 1.180 -3.833 1.00 0.51 H new ATOM 0 HB2 ARG A 69 15.553 1.125 -6.104 1.00 0.70 H new ATOM 0 HB3 ARG A 69 14.268 2.192 -5.572 1.00 0.70 H new ATOM 0 HG2 ARG A 69 15.840 3.487 -6.818 1.00 1.16 H new ATOM 0 HG3 ARG A 69 15.960 3.965 -5.136 1.00 1.16 H new ATOM 0 HD2 ARG A 69 17.935 2.446 -4.873 1.00 1.64 H new ATOM 0 HD3 ARG A 69 17.832 2.048 -6.577 1.00 1.64 H new ATOM 0 HE ARG A 69 17.950 4.886 -6.358 1.00 2.32 H new ATOM 0 HH11 ARG A 69 19.962 2.019 -5.857 1.00 3.58 H new ATOM 0 HH12 ARG A 69 21.474 2.899 -6.105 1.00 3.58 H new ATOM 0 HH21 ARG A 69 19.894 6.001 -6.667 1.00 4.04 H new ATOM 0 HH22 ARG A 69 21.435 5.143 -6.562 1.00 4.04 H new ATOM 1084 N GLN A 70 13.976 2.942 -2.826 1.00 0.72 N ATOM 1085 CA GLN A 70 13.590 4.042 -1.969 1.00 0.96 C ATOM 1086 C GLN A 70 13.807 3.695 -0.501 1.00 0.97 C ATOM 1087 O GLN A 70 14.338 4.498 0.267 1.00 1.14 O ATOM 1088 CB GLN A 70 12.119 4.388 -2.177 1.00 1.17 C ATOM 1089 CG GLN A 70 11.503 3.901 -3.478 1.00 2.10 C ATOM 1090 CD GLN A 70 12.008 4.635 -4.716 1.00 3.09 C ATOM 1091 OE1 GLN A 70 13.160 5.070 -4.785 1.00 3.72 O ATOM 1092 NE2 GLN A 70 11.138 4.783 -5.703 1.00 3.67 N ATOM 0 H GLN A 70 13.194 2.446 -3.253 1.00 0.72 H new ATOM 0 HA GLN A 70 14.213 4.897 -2.232 1.00 0.96 H new ATOM 0 HB2 GLN A 70 11.547 3.972 -1.348 1.00 1.17 H new ATOM 0 HB3 GLN A 70 12.010 5.471 -2.128 1.00 1.17 H new ATOM 0 HG2 GLN A 70 11.709 2.837 -3.590 1.00 2.10 H new ATOM 0 HG3 GLN A 70 10.420 4.011 -3.419 1.00 2.10 H new ATOM 0 HE21 GLN A 70 10.193 4.410 -5.610 1.00 3.67 H new ATOM 0 HE22 GLN A 70 11.412 5.270 -6.556 1.00 3.67 H new ATOM 1101 N VAL A 71 13.397 2.491 -0.123 1.00 0.83 N ATOM 1102 CA VAL A 71 13.422 2.069 1.275 1.00 0.95 C ATOM 1103 C VAL A 71 14.847 1.889 1.756 1.00 1.02 C ATOM 1104 O VAL A 71 15.233 2.386 2.812 1.00 1.25 O ATOM 1105 CB VAL A 71 12.674 0.749 1.470 1.00 0.87 C ATOM 1106 CG1 VAL A 71 12.486 0.446 2.949 1.00 1.09 C ATOM 1107 CG2 VAL A 71 11.352 0.814 0.760 1.00 0.83 C ATOM 0 H VAL A 71 13.041 1.785 -0.767 1.00 0.83 H new ATOM 0 HA VAL A 71 12.931 2.852 1.854 1.00 0.95 H new ATOM 0 HB VAL A 71 13.264 -0.062 1.043 1.00 0.87 H new ATOM 0 HG11 VAL A 71 11.952 -0.497 3.062 1.00 1.09 H new ATOM 0 HG12 VAL A 71 13.460 0.371 3.432 1.00 1.09 H new ATOM 0 HG13 VAL A 71 11.911 1.247 3.414 1.00 1.09 H new ATOM 0 HG21 VAL A 71 10.818 -0.126 0.898 1.00 0.83 H new ATOM 0 HG22 VAL A 71 10.759 1.632 1.169 1.00 0.83 H new ATOM 0 HG23 VAL A 71 11.518 0.984 -0.304 1.00 0.83 H new ATOM 1117 N SER A 72 15.624 1.183 0.956 1.00 0.89 N ATOM 1118 CA SER A 72 17.026 0.936 1.265 1.00 1.02 C ATOM 1119 C SER A 72 17.783 2.257 1.431 1.00 1.19 C ATOM 1120 O SER A 72 18.763 2.335 2.172 1.00 1.41 O ATOM 1121 CB SER A 72 17.667 0.089 0.162 1.00 0.95 C ATOM 1122 OG SER A 72 19.016 -0.231 0.461 1.00 1.20 O ATOM 0 H SER A 72 15.308 0.766 0.080 1.00 0.89 H new ATOM 0 HA SER A 72 17.083 0.389 2.206 1.00 1.02 H new ATOM 0 HB2 SER A 72 17.096 -0.830 0.031 1.00 0.95 H new ATOM 0 HB3 SER A 72 17.623 0.629 -0.784 1.00 0.95 H new ATOM 0 HG SER A 72 19.223 -1.126 0.120 1.00 1.20 H new ATOM 1128 N ALA A 73 17.304 3.300 0.760 1.00 1.13 N ATOM 1129 CA ALA A 73 17.936 4.607 0.827 1.00 1.34 C ATOM 1130 C ALA A 73 17.491 5.360 2.075 1.00 1.56 C ATOM 1131 O ALA A 73 18.243 6.165 2.625 1.00 1.81 O ATOM 1132 CB ALA A 73 17.613 5.413 -0.421 1.00 1.32 C ATOM 0 H ALA A 73 16.478 3.262 0.163 1.00 1.13 H new ATOM 0 HA ALA A 73 19.015 4.463 0.882 1.00 1.34 H new ATOM 0 HB1 ALA A 73 18.093 6.390 -0.358 1.00 1.32 H new ATOM 0 HB2 ALA A 73 17.981 4.885 -1.301 1.00 1.32 H new ATOM 0 HB3 ALA A 73 16.534 5.543 -0.501 1.00 1.32 H new ATOM 1138 N SER A 74 16.276 5.076 2.532 1.00 1.50 N ATOM 1139 CA SER A 74 15.726 5.761 3.691 1.00 1.78 C ATOM 1140 C SER A 74 16.241 5.132 4.975 1.00 1.91 C ATOM 1141 O SER A 74 16.139 5.712 6.058 1.00 2.22 O ATOM 1142 CB SER A 74 14.194 5.739 3.657 1.00 1.85 C ATOM 1143 OG SER A 74 13.689 4.414 3.571 1.00 2.08 O ATOM 0 H SER A 74 15.657 4.379 2.118 1.00 1.50 H new ATOM 0 HA SER A 74 16.053 6.800 3.661 1.00 1.78 H new ATOM 0 HB2 SER A 74 13.803 6.220 4.554 1.00 1.85 H new ATOM 0 HB3 SER A 74 13.841 6.319 2.805 1.00 1.85 H new ATOM 0 HG SER A 74 14.435 3.779 3.577 1.00 2.08 H new ATOM 1149 N LEU A 75 16.842 3.962 4.834 1.00 1.75 N ATOM 1150 CA LEU A 75 17.357 3.217 5.973 1.00 1.94 C ATOM 1151 C LEU A 75 18.726 3.735 6.398 1.00 2.26 C ATOM 1152 O LEU A 75 19.580 2.977 6.860 1.00 2.57 O ATOM 1153 CB LEU A 75 17.427 1.726 5.646 1.00 1.80 C ATOM 1154 CG LEU A 75 16.076 1.030 5.475 1.00 1.99 C ATOM 1155 CD1 LEU A 75 16.261 -0.476 5.394 1.00 2.45 C ATOM 1156 CD2 LEU A 75 15.127 1.397 6.608 1.00 2.24 C ATOM 0 H LEU A 75 16.986 3.504 3.934 1.00 1.75 H new ATOM 0 HA LEU A 75 16.671 3.361 6.808 1.00 1.94 H new ATOM 0 HB2 LEU A 75 18.001 1.599 4.728 1.00 1.80 H new ATOM 0 HB3 LEU A 75 17.979 1.222 6.440 1.00 1.80 H new ATOM 0 HG LEU A 75 15.631 1.373 4.541 1.00 1.99 H new ATOM 0 HD11 LEU A 75 15.290 -0.956 5.272 1.00 2.45 H new ATOM 0 HD12 LEU A 75 16.895 -0.719 4.542 1.00 2.45 H new ATOM 0 HD13 LEU A 75 16.731 -0.835 6.310 1.00 2.45 H new ATOM 0 HD21 LEU A 75 14.174 0.889 6.463 1.00 2.24 H new ATOM 0 HD22 LEU A 75 15.561 1.090 7.560 1.00 2.24 H new ATOM 0 HD23 LEU A 75 14.967 2.475 6.613 1.00 2.24 H new ATOM 1168 N LEU A 76 18.933 5.027 6.216 1.00 2.36 N ATOM 1169 CA LEU A 76 20.103 5.696 6.748 1.00 2.78 C ATOM 1170 C LEU A 76 19.765 6.218 8.138 1.00 3.06 C ATOM 1171 O LEU A 76 20.583 6.179 9.058 1.00 3.55 O ATOM 1172 CB LEU A 76 20.522 6.847 5.828 1.00 2.96 C ATOM 1173 CG LEU A 76 21.812 7.570 6.223 1.00 3.22 C ATOM 1174 CD1 LEU A 76 23.001 6.624 6.159 1.00 3.97 C ATOM 1175 CD2 LEU A 76 22.041 8.775 5.324 1.00 3.35 C ATOM 0 H LEU A 76 18.299 5.637 5.699 1.00 2.36 H new ATOM 0 HA LEU A 76 20.938 4.998 6.809 1.00 2.78 H new ATOM 0 HB2 LEU A 76 20.640 6.457 4.817 1.00 2.96 H new ATOM 0 HB3 LEU A 76 19.713 7.576 5.796 1.00 2.96 H new ATOM 0 HG LEU A 76 21.709 7.918 7.251 1.00 3.22 H new ATOM 0 HD11 LEU A 76 23.907 7.159 6.444 1.00 3.97 H new ATOM 0 HD12 LEU A 76 22.841 5.791 6.844 1.00 3.97 H new ATOM 0 HD13 LEU A 76 23.108 6.243 5.143 1.00 3.97 H new ATOM 0 HD21 LEU A 76 22.962 9.278 5.618 1.00 3.35 H new ATOM 0 HD22 LEU A 76 22.122 8.446 4.288 1.00 3.35 H new ATOM 0 HD23 LEU A 76 21.203 9.466 5.421 1.00 3.35 H new ATOM 1187 N PHE A 77 18.537 6.706 8.268 1.00 3.01 N ATOM 1188 CA PHE A 77 18.003 7.142 9.549 1.00 3.59 C ATOM 1189 C PHE A 77 17.394 5.961 10.295 1.00 3.66 C ATOM 1190 O PHE A 77 17.814 5.624 11.401 1.00 4.10 O ATOM 1191 CB PHE A 77 16.950 8.235 9.333 1.00 3.93 C ATOM 1192 CG PHE A 77 16.165 8.591 10.567 1.00 4.64 C ATOM 1193 CD1 PHE A 77 16.724 9.377 11.559 1.00 5.32 C ATOM 1194 CD2 PHE A 77 14.865 8.139 10.728 1.00 4.98 C ATOM 1195 CE1 PHE A 77 16.000 9.707 12.689 1.00 6.22 C ATOM 1196 CE2 PHE A 77 14.138 8.465 11.855 1.00 5.99 C ATOM 1197 CZ PHE A 77 14.707 9.249 12.838 1.00 6.56 C ATOM 0 H PHE A 77 17.886 6.810 7.489 1.00 3.01 H new ATOM 0 HA PHE A 77 18.816 7.551 10.150 1.00 3.59 H new ATOM 0 HB2 PHE A 77 17.445 9.132 8.960 1.00 3.93 H new ATOM 0 HB3 PHE A 77 16.257 7.908 8.558 1.00 3.93 H new ATOM 0 HD1 PHE A 77 17.737 9.736 11.449 1.00 5.32 H new ATOM 0 HD2 PHE A 77 14.415 7.524 9.962 1.00 4.98 H new ATOM 0 HE1 PHE A 77 16.446 10.323 13.455 1.00 6.22 H new ATOM 0 HE2 PHE A 77 13.125 8.107 11.967 1.00 5.99 H new ATOM 0 HZ PHE A 77 14.141 9.504 13.722 1.00 6.56 H new ATOM 1207 N SER A 78 16.407 5.335 9.675 1.00 3.67 N ATOM 1208 CA SER A 78 15.706 4.220 10.284 1.00 3.95 C ATOM 1209 C SER A 78 16.396 2.901 9.955 1.00 3.62 C ATOM 1210 O SER A 78 17.385 2.873 9.219 1.00 4.09 O ATOM 1211 CB SER A 78 14.257 4.211 9.795 1.00 4.75 C ATOM 1212 OG SER A 78 14.199 4.409 8.393 1.00 5.31 O ATOM 0 H SER A 78 16.073 5.583 8.744 1.00 3.67 H new ATOM 0 HA SER A 78 15.719 4.336 11.368 1.00 3.95 H new ATOM 0 HB2 SER A 78 13.787 3.262 10.053 1.00 4.75 H new ATOM 0 HB3 SER A 78 13.692 4.994 10.301 1.00 4.75 H new ATOM 0 HG SER A 78 13.264 4.398 8.100 1.00 5.31 H new ATOM 1218 N SER A 79 15.884 1.817 10.510 1.00 3.36 N ATOM 1219 CA SER A 79 16.434 0.502 10.252 1.00 3.54 C ATOM 1220 C SER A 79 15.311 -0.492 9.984 1.00 3.12 C ATOM 1221 O SER A 79 14.387 -0.632 10.786 1.00 3.28 O ATOM 1222 CB SER A 79 17.289 0.044 11.436 1.00 4.29 C ATOM 1223 OG SER A 79 17.939 -1.186 11.158 1.00 4.90 O ATOM 0 H SER A 79 15.085 1.824 11.144 1.00 3.36 H new ATOM 0 HA SER A 79 17.070 0.552 9.368 1.00 3.54 H new ATOM 0 HB2 SER A 79 18.033 0.807 11.667 1.00 4.29 H new ATOM 0 HB3 SER A 79 16.661 -0.066 12.320 1.00 4.29 H new ATOM 0 HG SER A 79 18.479 -1.453 11.931 1.00 4.90 H new ATOM 1229 N SER A 80 15.381 -1.156 8.844 1.00 2.99 N ATOM 1230 CA SER A 80 14.392 -2.153 8.479 1.00 2.71 C ATOM 1231 C SER A 80 15.073 -3.309 7.757 1.00 2.24 C ATOM 1232 O SER A 80 15.292 -3.271 6.549 1.00 2.33 O ATOM 1233 CB SER A 80 13.300 -1.529 7.601 1.00 3.22 C ATOM 1234 OG SER A 80 12.261 -2.454 7.324 1.00 3.55 O ATOM 0 H SER A 80 16.118 -1.021 8.152 1.00 2.99 H new ATOM 0 HA SER A 80 13.918 -2.534 9.383 1.00 2.71 H new ATOM 0 HB2 SER A 80 12.885 -0.654 8.102 1.00 3.22 H new ATOM 0 HB3 SER A 80 13.739 -1.182 6.665 1.00 3.22 H new ATOM 0 HG SER A 80 11.581 -2.024 6.764 1.00 3.55 H new ATOM 1240 N LYS A 81 15.426 -4.329 8.513 1.00 1.95 N ATOM 1241 CA LYS A 81 16.099 -5.498 7.969 1.00 1.74 C ATOM 1242 C LYS A 81 15.147 -6.408 7.231 1.00 1.57 C ATOM 1243 O LYS A 81 15.571 -7.329 6.537 1.00 1.58 O ATOM 1244 CB LYS A 81 16.917 -6.229 9.016 1.00 1.87 C ATOM 1245 CG LYS A 81 18.269 -5.567 9.258 1.00 2.19 C ATOM 1246 CD LYS A 81 19.047 -5.350 7.953 1.00 2.10 C ATOM 1247 CE LYS A 81 18.866 -3.936 7.389 1.00 2.30 C ATOM 1248 NZ LYS A 81 19.862 -3.623 6.332 1.00 2.91 N ATOM 0 H LYS A 81 15.257 -4.374 9.518 1.00 1.95 H new ATOM 0 HA LYS A 81 16.812 -5.136 7.228 1.00 1.74 H new ATOM 0 HB2 LYS A 81 16.359 -6.263 9.952 1.00 1.87 H new ATOM 0 HB3 LYS A 81 17.071 -7.260 8.699 1.00 1.87 H new ATOM 0 HG2 LYS A 81 18.119 -4.608 9.754 1.00 2.19 H new ATOM 0 HG3 LYS A 81 18.860 -6.186 9.933 1.00 2.19 H new ATOM 0 HD2 LYS A 81 20.107 -5.534 8.131 1.00 2.10 H new ATOM 0 HD3 LYS A 81 18.717 -6.078 7.212 1.00 2.10 H new ATOM 0 HE2 LYS A 81 17.861 -3.835 6.980 1.00 2.30 H new ATOM 0 HE3 LYS A 81 18.956 -3.210 8.197 1.00 2.30 H new ATOM 0 HZ1 LYS A 81 19.702 -2.658 5.979 1.00 2.91 H new ATOM 0 HZ2 LYS A 81 20.821 -3.693 6.727 1.00 2.91 H new ATOM 0 HZ3 LYS A 81 19.760 -4.299 5.548 1.00 2.91 H new ATOM 1262 N ASP A 82 13.855 -6.150 7.385 1.00 1.53 N ATOM 1263 CA ASP A 82 12.831 -6.851 6.617 1.00 1.44 C ATOM 1264 C ASP A 82 13.060 -6.647 5.119 1.00 1.22 C ATOM 1265 O ASP A 82 12.406 -7.254 4.272 1.00 1.17 O ATOM 1266 CB ASP A 82 11.453 -6.324 6.996 1.00 1.58 C ATOM 1267 CG ASP A 82 11.120 -6.538 8.458 1.00 1.84 C ATOM 1268 OD1 ASP A 82 11.527 -5.702 9.295 1.00 2.03 O ATOM 1269 OD2 ASP A 82 10.442 -7.536 8.782 1.00 1.99 O ATOM 0 H ASP A 82 13.489 -5.457 8.038 1.00 1.53 H new ATOM 0 HA ASP A 82 12.890 -7.915 6.844 1.00 1.44 H new ATOM 0 HB2 ASP A 82 11.402 -5.259 6.769 1.00 1.58 H new ATOM 0 HB3 ASP A 82 10.700 -6.817 6.381 1.00 1.58 H new ATOM 1274 N LEU A 83 14.018 -5.786 4.826 1.00 1.15 N ATOM 1275 CA LEU A 83 14.447 -5.480 3.474 1.00 0.99 C ATOM 1276 C LEU A 83 15.150 -6.668 2.827 1.00 0.96 C ATOM 1277 O LEU A 83 15.384 -6.670 1.621 1.00 0.90 O ATOM 1278 CB LEU A 83 15.359 -4.252 3.493 1.00 1.01 C ATOM 1279 CG LEU A 83 14.634 -2.908 3.343 1.00 1.03 C ATOM 1280 CD1 LEU A 83 14.473 -2.560 1.874 1.00 0.96 C ATOM 1281 CD2 LEU A 83 13.265 -2.939 4.025 1.00 1.12 C ATOM 0 H LEU A 83 14.531 -5.268 5.539 1.00 1.15 H new ATOM 0 HA LEU A 83 13.565 -5.263 2.872 1.00 0.99 H new ATOM 0 HB2 LEU A 83 15.916 -4.245 4.430 1.00 1.01 H new ATOM 0 HB3 LEU A 83 16.089 -4.347 2.689 1.00 1.01 H new ATOM 0 HG LEU A 83 15.240 -2.143 3.829 1.00 1.03 H new ATOM 0 HD11 LEU A 83 13.957 -1.604 1.781 1.00 0.96 H new ATOM 0 HD12 LEU A 83 15.455 -2.489 1.407 1.00 0.96 H new ATOM 0 HD13 LEU A 83 13.891 -3.336 1.378 1.00 0.96 H new ATOM 0 HD21 LEU A 83 12.775 -1.973 3.902 1.00 1.12 H new ATOM 0 HD22 LEU A 83 12.651 -3.718 3.573 1.00 1.12 H new ATOM 0 HD23 LEU A 83 13.392 -3.149 5.087 1.00 1.12 H new ATOM 1293 N GLU A 84 15.480 -7.674 3.636 1.00 1.08 N ATOM 1294 CA GLU A 84 15.982 -8.948 3.129 1.00 1.13 C ATOM 1295 C GLU A 84 15.063 -9.518 2.052 1.00 1.05 C ATOM 1296 O GLU A 84 15.513 -10.176 1.112 1.00 1.06 O ATOM 1297 CB GLU A 84 16.068 -9.955 4.266 1.00 1.34 C ATOM 1298 CG GLU A 84 17.127 -9.631 5.302 1.00 1.55 C ATOM 1299 CD GLU A 84 17.247 -10.709 6.357 1.00 1.79 C ATOM 1300 OE1 GLU A 84 16.472 -10.679 7.338 1.00 1.88 O ATOM 1301 OE2 GLU A 84 18.115 -11.594 6.217 1.00 2.03 O ATOM 0 H GLU A 84 15.407 -7.629 4.652 1.00 1.08 H new ATOM 0 HA GLU A 84 16.967 -8.768 2.698 1.00 1.13 H new ATOM 0 HB2 GLU A 84 15.098 -10.013 4.760 1.00 1.34 H new ATOM 0 HB3 GLU A 84 16.273 -10.941 3.849 1.00 1.34 H new ATOM 0 HG2 GLU A 84 18.089 -9.502 4.807 1.00 1.55 H new ATOM 0 HG3 GLU A 84 16.885 -8.682 5.781 1.00 1.55 H new ATOM 1308 N ALA A 85 13.778 -9.252 2.205 1.00 1.04 N ATOM 1309 CA ALA A 85 12.766 -9.740 1.292 1.00 1.07 C ATOM 1310 C ALA A 85 12.911 -9.141 -0.104 1.00 0.97 C ATOM 1311 O ALA A 85 12.697 -9.821 -1.106 1.00 1.11 O ATOM 1312 CB ALA A 85 11.394 -9.419 1.854 1.00 1.16 C ATOM 0 H ALA A 85 13.408 -8.689 2.970 1.00 1.04 H new ATOM 0 HA ALA A 85 12.892 -10.818 1.193 1.00 1.07 H new ATOM 0 HB1 ALA A 85 10.627 -9.784 1.171 1.00 1.16 H new ATOM 0 HB2 ALA A 85 11.276 -9.902 2.824 1.00 1.16 H new ATOM 0 HB3 ALA A 85 11.292 -8.340 1.971 1.00 1.16 H new ATOM 1318 N PHE A 86 13.279 -7.874 -0.165 1.00 0.82 N ATOM 1319 CA PHE A 86 13.347 -7.160 -1.432 1.00 0.78 C ATOM 1320 C PHE A 86 14.780 -7.133 -1.943 1.00 0.69 C ATOM 1321 O PHE A 86 15.724 -7.041 -1.161 1.00 0.79 O ATOM 1322 CB PHE A 86 12.802 -5.742 -1.259 1.00 0.84 C ATOM 1323 CG PHE A 86 11.544 -5.705 -0.441 1.00 0.86 C ATOM 1324 CD1 PHE A 86 10.300 -5.849 -1.032 1.00 1.03 C ATOM 1325 CD2 PHE A 86 11.615 -5.551 0.931 1.00 0.87 C ATOM 1326 CE1 PHE A 86 9.150 -5.835 -0.265 1.00 1.10 C ATOM 1327 CE2 PHE A 86 10.475 -5.539 1.704 1.00 0.94 C ATOM 1328 CZ PHE A 86 9.238 -5.681 1.107 1.00 1.00 C ATOM 0 H PHE A 86 13.536 -7.315 0.649 1.00 0.82 H new ATOM 0 HA PHE A 86 12.734 -7.678 -2.169 1.00 0.78 H new ATOM 0 HB2 PHE A 86 13.560 -5.121 -0.782 1.00 0.84 H new ATOM 0 HB3 PHE A 86 12.606 -5.309 -2.240 1.00 0.84 H new ATOM 0 HD1 PHE A 86 10.228 -5.973 -2.102 1.00 1.03 H new ATOM 0 HD2 PHE A 86 12.579 -5.438 1.404 1.00 0.87 H new ATOM 0 HE1 PHE A 86 8.184 -5.944 -0.736 1.00 1.10 H new ATOM 0 HE2 PHE A 86 10.548 -5.419 2.775 1.00 0.94 H new ATOM 0 HZ PHE A 86 8.342 -5.672 1.709 1.00 1.00 H new ATOM 1338 N ASN A 87 14.944 -7.211 -3.253 1.00 0.64 N ATOM 1339 CA ASN A 87 16.270 -7.310 -3.843 1.00 0.67 C ATOM 1340 C ASN A 87 16.256 -6.721 -5.251 1.00 0.56 C ATOM 1341 O ASN A 87 15.391 -7.062 -6.055 1.00 0.57 O ATOM 1342 CB ASN A 87 16.689 -8.785 -3.878 1.00 0.87 C ATOM 1343 CG ASN A 87 18.172 -8.993 -4.107 1.00 1.42 C ATOM 1344 OD1 ASN A 87 18.844 -8.189 -4.748 1.00 2.03 O ATOM 1345 ND2 ASN A 87 18.696 -10.088 -3.584 1.00 2.15 N ATOM 0 H ASN A 87 14.179 -7.208 -3.927 1.00 0.64 H new ATOM 0 HA ASN A 87 16.987 -6.748 -3.245 1.00 0.67 H new ATOM 0 HB2 ASN A 87 16.406 -9.256 -2.936 1.00 0.87 H new ATOM 0 HB3 ASN A 87 16.134 -9.292 -4.667 1.00 0.87 H new ATOM 0 HD21 ASN A 87 19.689 -10.287 -3.707 1.00 2.15 H new ATOM 0 HD22 ASN A 87 18.108 -10.734 -3.057 1.00 2.15 H new ATOM 1352 N PRO A 88 17.195 -5.811 -5.568 1.00 0.53 N ATOM 1353 CA PRO A 88 17.262 -5.174 -6.886 1.00 0.51 C ATOM 1354 C PRO A 88 17.885 -6.062 -7.958 1.00 0.54 C ATOM 1355 O PRO A 88 17.977 -5.668 -9.123 1.00 0.59 O ATOM 1356 CB PRO A 88 18.134 -3.947 -6.631 1.00 0.59 C ATOM 1357 CG PRO A 88 19.045 -4.366 -5.531 1.00 0.65 C ATOM 1358 CD PRO A 88 18.250 -5.308 -4.663 1.00 0.62 C ATOM 0 HA PRO A 88 16.268 -4.947 -7.273 1.00 0.51 H new ATOM 0 HB2 PRO A 88 18.692 -3.663 -7.523 1.00 0.59 H new ATOM 0 HB3 PRO A 88 17.533 -3.085 -6.343 1.00 0.59 H new ATOM 0 HG2 PRO A 88 19.933 -4.858 -5.927 1.00 0.65 H new ATOM 0 HG3 PRO A 88 19.387 -3.504 -4.959 1.00 0.65 H new ATOM 0 HD2 PRO A 88 18.869 -6.119 -4.280 1.00 0.62 H new ATOM 0 HD3 PRO A 88 17.826 -4.796 -3.799 1.00 0.62 H new ATOM 1366 N GLU A 89 18.299 -7.259 -7.571 1.00 0.58 N ATOM 1367 CA GLU A 89 18.778 -8.238 -8.535 1.00 0.66 C ATOM 1368 C GLU A 89 17.618 -9.135 -8.941 1.00 0.64 C ATOM 1369 O GLU A 89 17.797 -10.268 -9.396 1.00 0.73 O ATOM 1370 CB GLU A 89 19.925 -9.054 -7.953 1.00 0.79 C ATOM 1371 CG GLU A 89 19.473 -10.106 -6.974 1.00 1.57 C ATOM 1372 CD GLU A 89 20.573 -11.067 -6.582 1.00 1.69 C ATOM 1373 OE1 GLU A 89 20.784 -12.067 -7.304 1.00 2.02 O ATOM 1374 OE2 GLU A 89 21.232 -10.831 -5.548 1.00 1.77 O ATOM 0 H GLU A 89 18.313 -7.575 -6.601 1.00 0.58 H new ATOM 0 HA GLU A 89 19.162 -7.725 -9.417 1.00 0.66 H new ATOM 0 HB2 GLU A 89 20.469 -9.535 -8.766 1.00 0.79 H new ATOM 0 HB3 GLU A 89 20.624 -8.382 -7.456 1.00 0.79 H new ATOM 0 HG2 GLU A 89 19.089 -9.618 -6.078 1.00 1.57 H new ATOM 0 HG3 GLU A 89 18.647 -10.668 -7.410 1.00 1.57 H new ATOM 1381 N SER A 90 16.425 -8.584 -8.810 1.00 0.56 N ATOM 1382 CA SER A 90 15.206 -9.326 -9.062 1.00 0.56 C ATOM 1383 C SER A 90 14.027 -8.386 -9.185 1.00 0.52 C ATOM 1384 O SER A 90 13.954 -7.356 -8.514 1.00 0.72 O ATOM 1385 CB SER A 90 14.969 -10.349 -7.944 1.00 0.67 C ATOM 1386 OG SER A 90 15.226 -9.785 -6.667 1.00 1.28 O ATOM 0 H SER A 90 16.275 -7.615 -8.528 1.00 0.56 H new ATOM 0 HA SER A 90 15.312 -9.862 -10.005 1.00 0.56 H new ATOM 0 HB2 SER A 90 13.940 -10.705 -7.986 1.00 0.67 H new ATOM 0 HB3 SER A 90 15.613 -11.215 -8.098 1.00 0.67 H new ATOM 0 HG SER A 90 15.121 -8.812 -6.712 1.00 1.28 H new ATOM 1392 N LYS A 91 13.138 -8.728 -10.095 1.00 0.47 N ATOM 1393 CA LYS A 91 11.934 -7.961 -10.321 1.00 0.45 C ATOM 1394 C LYS A 91 10.734 -8.880 -10.266 1.00 0.48 C ATOM 1395 O LYS A 91 9.889 -8.868 -11.160 1.00 0.55 O ATOM 1396 CB LYS A 91 11.987 -7.244 -11.672 1.00 0.52 C ATOM 1397 CG LYS A 91 12.948 -6.068 -11.700 1.00 0.48 C ATOM 1398 CD LYS A 91 12.990 -5.402 -13.069 1.00 0.75 C ATOM 1399 CE LYS A 91 11.599 -5.015 -13.554 1.00 0.76 C ATOM 1400 NZ LYS A 91 11.651 -4.190 -14.788 1.00 1.29 N ATOM 0 H LYS A 91 13.231 -9.546 -10.698 1.00 0.47 H new ATOM 0 HA LYS A 91 11.850 -7.204 -9.541 1.00 0.45 H new ATOM 0 HB2 LYS A 91 12.278 -7.959 -12.442 1.00 0.52 H new ATOM 0 HB3 LYS A 91 10.987 -6.892 -11.926 1.00 0.52 H new ATOM 0 HG2 LYS A 91 12.649 -5.337 -10.949 1.00 0.48 H new ATOM 0 HG3 LYS A 91 13.948 -6.409 -11.431 1.00 0.48 H new ATOM 0 HD2 LYS A 91 13.618 -4.513 -13.021 1.00 0.75 H new ATOM 0 HD3 LYS A 91 13.450 -6.079 -13.788 1.00 0.75 H new ATOM 0 HE2 LYS A 91 11.017 -5.917 -13.745 1.00 0.76 H new ATOM 0 HE3 LYS A 91 11.082 -4.462 -12.770 1.00 0.76 H new ATOM 0 HZ1 LYS A 91 10.684 -3.948 -15.085 1.00 1.29 H new ATOM 0 HZ2 LYS A 91 12.184 -3.317 -14.600 1.00 1.29 H new ATOM 0 HZ3 LYS A 91 12.121 -4.726 -15.545 1.00 1.29 H new ATOM 1414 N GLU A 92 10.645 -9.662 -9.192 1.00 0.48 N ATOM 1415 CA GLU A 92 9.575 -10.649 -9.050 1.00 0.53 C ATOM 1416 C GLU A 92 8.293 -9.979 -8.602 1.00 0.54 C ATOM 1417 O GLU A 92 7.354 -10.614 -8.122 1.00 0.79 O ATOM 1418 CB GLU A 92 9.991 -11.761 -8.090 1.00 0.59 C ATOM 1419 CG GLU A 92 11.201 -12.544 -8.574 1.00 1.28 C ATOM 1420 CD GLU A 92 11.676 -13.576 -7.574 1.00 1.82 C ATOM 1421 OE1 GLU A 92 10.954 -14.569 -7.352 1.00 1.95 O ATOM 1422 OE2 GLU A 92 12.766 -13.390 -6.992 1.00 2.76 O ATOM 0 H GLU A 92 11.298 -9.632 -8.409 1.00 0.48 H new ATOM 0 HA GLU A 92 9.390 -11.106 -10.022 1.00 0.53 H new ATOM 0 HB2 GLU A 92 10.213 -11.327 -7.115 1.00 0.59 H new ATOM 0 HB3 GLU A 92 9.154 -12.446 -7.952 1.00 0.59 H new ATOM 0 HG2 GLU A 92 10.954 -13.042 -9.512 1.00 1.28 H new ATOM 0 HG3 GLU A 92 12.015 -11.850 -8.786 1.00 1.28 H new ATOM 1429 N LEU A 93 8.283 -8.699 -8.882 1.00 0.49 N ATOM 1430 CA LEU A 93 7.265 -7.738 -8.482 1.00 0.46 C ATOM 1431 C LEU A 93 6.798 -7.851 -7.033 1.00 0.50 C ATOM 1432 O LEU A 93 6.974 -8.850 -6.338 1.00 0.67 O ATOM 1433 CB LEU A 93 6.072 -7.788 -9.420 1.00 0.46 C ATOM 1434 CG LEU A 93 6.364 -7.367 -10.861 1.00 0.46 C ATOM 1435 CD1 LEU A 93 5.055 -7.169 -11.597 1.00 0.51 C ATOM 1436 CD2 LEU A 93 7.224 -6.101 -10.908 1.00 0.41 C ATOM 0 H LEU A 93 9.028 -8.266 -9.428 1.00 0.49 H new ATOM 0 HA LEU A 93 7.760 -6.770 -8.554 1.00 0.46 H new ATOM 0 HB2 LEU A 93 5.677 -8.804 -9.427 1.00 0.46 H new ATOM 0 HB3 LEU A 93 5.288 -7.144 -9.021 1.00 0.46 H new ATOM 0 HG LEU A 93 6.934 -8.155 -11.353 1.00 0.46 H new ATOM 0 HD11 LEU A 93 5.257 -6.869 -12.625 1.00 0.51 H new ATOM 0 HD12 LEU A 93 4.492 -8.102 -11.596 1.00 0.51 H new ATOM 0 HD13 LEU A 93 4.472 -6.393 -11.100 1.00 0.51 H new ATOM 0 HD21 LEU A 93 7.414 -5.828 -11.946 1.00 0.41 H new ATOM 0 HD22 LEU A 93 6.700 -5.286 -10.409 1.00 0.41 H new ATOM 0 HD23 LEU A 93 8.172 -6.286 -10.403 1.00 0.41 H new ATOM 1448 N LEU A 94 6.235 -6.754 -6.589 1.00 0.40 N ATOM 1449 CA LEU A 94 5.684 -6.628 -5.256 1.00 0.39 C ATOM 1450 C LEU A 94 4.204 -6.814 -5.381 1.00 0.39 C ATOM 1451 O LEU A 94 3.736 -7.587 -6.206 1.00 0.43 O ATOM 1452 CB LEU A 94 5.926 -5.219 -4.655 1.00 0.38 C ATOM 1453 CG LEU A 94 7.290 -4.525 -4.860 1.00 0.39 C ATOM 1454 CD1 LEU A 94 8.385 -5.068 -4.002 1.00 0.41 C ATOM 1455 CD2 LEU A 94 7.746 -4.570 -6.248 1.00 0.41 C ATOM 0 H LEU A 94 6.144 -5.908 -7.151 1.00 0.40 H new ATOM 0 HA LEU A 94 6.160 -7.362 -4.606 1.00 0.39 H new ATOM 0 HB2 LEU A 94 5.160 -4.557 -5.058 1.00 0.38 H new ATOM 0 HB3 LEU A 94 5.754 -5.289 -3.581 1.00 0.38 H new ATOM 0 HG LEU A 94 7.092 -3.495 -4.564 1.00 0.39 H new ATOM 0 HD11 LEU A 94 9.309 -4.528 -4.206 1.00 0.41 H new ATOM 0 HD12 LEU A 94 8.118 -4.947 -2.952 1.00 0.41 H new ATOM 0 HD13 LEU A 94 8.528 -6.126 -4.221 1.00 0.41 H new ATOM 0 HD21 LEU A 94 8.709 -4.067 -6.331 1.00 0.41 H new ATOM 0 HD22 LEU A 94 7.851 -5.608 -6.563 1.00 0.41 H new ATOM 0 HD23 LEU A 94 7.019 -4.069 -6.886 1.00 0.41 H new ATOM 1467 N ASP A 95 3.494 -6.091 -4.551 1.00 0.38 N ATOM 1468 CA ASP A 95 2.117 -5.770 -4.780 1.00 0.39 C ATOM 1469 C ASP A 95 1.807 -4.548 -3.976 1.00 0.38 C ATOM 1470 O ASP A 95 2.331 -4.375 -2.880 1.00 0.38 O ATOM 1471 CB ASP A 95 1.116 -6.862 -4.386 1.00 0.51 C ATOM 1472 CG ASP A 95 1.095 -8.075 -5.295 1.00 0.41 C ATOM 1473 OD1 ASP A 95 0.580 -7.966 -6.427 1.00 0.49 O ATOM 1474 OD2 ASP A 95 1.618 -9.137 -4.894 1.00 0.55 O ATOM 0 H ASP A 95 3.868 -5.705 -3.684 1.00 0.38 H new ATOM 0 HA ASP A 95 2.003 -5.636 -5.856 1.00 0.39 H new ATOM 0 HB2 ASP A 95 1.342 -7.191 -3.372 1.00 0.51 H new ATOM 0 HB3 ASP A 95 0.117 -6.426 -4.364 1.00 0.51 H new ATOM 1479 N LEU A 96 0.964 -3.709 -4.510 1.00 0.39 N ATOM 1480 CA LEU A 96 0.585 -2.494 -3.834 1.00 0.39 C ATOM 1481 C LEU A 96 -0.890 -2.245 -4.035 1.00 0.43 C ATOM 1482 O LEU A 96 -1.470 -2.685 -5.024 1.00 0.47 O ATOM 1483 CB LEU A 96 1.398 -1.320 -4.365 1.00 0.41 C ATOM 1484 CG LEU A 96 2.905 -1.435 -4.164 1.00 0.43 C ATOM 1485 CD1 LEU A 96 3.614 -0.641 -5.225 1.00 0.44 C ATOM 1486 CD2 LEU A 96 3.288 -0.945 -2.786 1.00 0.50 C ATOM 0 H LEU A 96 0.522 -3.844 -5.419 1.00 0.39 H new ATOM 0 HA LEU A 96 0.788 -2.598 -2.768 1.00 0.39 H new ATOM 0 HB2 LEU A 96 1.196 -1.211 -5.431 1.00 0.41 H new ATOM 0 HB3 LEU A 96 1.051 -0.408 -3.879 1.00 0.41 H new ATOM 0 HG LEU A 96 3.202 -2.481 -4.247 1.00 0.43 H new ATOM 0 HD11 LEU A 96 4.691 -0.723 -5.082 1.00 0.44 H new ATOM 0 HD12 LEU A 96 3.348 -1.029 -6.208 1.00 0.44 H new ATOM 0 HD13 LEU A 96 3.317 0.406 -5.156 1.00 0.44 H new ATOM 0 HD21 LEU A 96 4.367 -1.033 -2.655 1.00 0.50 H new ATOM 0 HD22 LEU A 96 2.993 0.098 -2.676 1.00 0.50 H new ATOM 0 HD23 LEU A 96 2.781 -1.547 -2.032 1.00 0.50 H new ATOM 1498 N VAL A 97 -1.492 -1.567 -3.091 1.00 0.46 N ATOM 1499 CA VAL A 97 -2.881 -1.193 -3.193 1.00 0.53 C ATOM 1500 C VAL A 97 -3.027 0.267 -2.821 1.00 0.65 C ATOM 1501 O VAL A 97 -2.304 0.793 -1.973 1.00 0.70 O ATOM 1502 CB VAL A 97 -3.820 -2.059 -2.320 1.00 0.57 C ATOM 1503 CG1 VAL A 97 -3.751 -3.520 -2.714 1.00 0.53 C ATOM 1504 CG2 VAL A 97 -3.506 -1.881 -0.854 1.00 0.64 C ATOM 0 H VAL A 97 -1.035 -1.259 -2.232 1.00 0.46 H new ATOM 0 HA VAL A 97 -3.186 -1.364 -4.226 1.00 0.53 H new ATOM 0 HB VAL A 97 -4.841 -1.719 -2.494 1.00 0.57 H new ATOM 0 HG11 VAL A 97 -4.423 -4.100 -2.081 1.00 0.53 H new ATOM 0 HG12 VAL A 97 -4.050 -3.630 -3.756 1.00 0.53 H new ATOM 0 HG13 VAL A 97 -2.731 -3.883 -2.589 1.00 0.53 H new ATOM 0 HG21 VAL A 97 -4.179 -2.500 -0.260 1.00 0.64 H new ATOM 0 HG22 VAL A 97 -2.475 -2.180 -0.664 1.00 0.64 H new ATOM 0 HG23 VAL A 97 -3.637 -0.835 -0.578 1.00 0.64 H new ATOM 1514 N GLU A 98 -3.927 0.911 -3.514 1.00 0.78 N ATOM 1515 CA GLU A 98 -4.101 2.348 -3.428 1.00 0.98 C ATOM 1516 C GLU A 98 -4.700 2.749 -2.113 1.00 1.14 C ATOM 1517 O GLU A 98 -5.747 2.263 -1.685 1.00 1.31 O ATOM 1518 CB GLU A 98 -4.927 2.852 -4.612 1.00 1.18 C ATOM 1519 CG GLU A 98 -5.060 4.362 -4.685 1.00 1.70 C ATOM 1520 CD GLU A 98 -5.645 4.820 -6.003 1.00 2.33 C ATOM 1521 OE1 GLU A 98 -6.844 4.564 -6.249 1.00 2.83 O ATOM 1522 OE2 GLU A 98 -4.919 5.459 -6.792 1.00 2.77 O ATOM 0 H GLU A 98 -4.569 0.455 -4.162 1.00 0.78 H new ATOM 0 HA GLU A 98 -3.120 2.820 -3.480 1.00 0.98 H new ATOM 0 HB2 GLU A 98 -4.472 2.494 -5.536 1.00 1.18 H new ATOM 0 HB3 GLU A 98 -5.923 2.414 -4.557 1.00 1.18 H new ATOM 0 HG2 GLU A 98 -5.693 4.709 -3.868 1.00 1.70 H new ATOM 0 HG3 GLU A 98 -4.080 4.819 -4.546 1.00 1.70 H new ATOM 1529 N PHE A 99 -3.973 3.631 -1.491 1.00 1.35 N ATOM 1530 CA PHE A 99 -4.291 4.163 -0.206 1.00 1.63 C ATOM 1531 C PHE A 99 -5.553 5.028 -0.231 1.00 1.76 C ATOM 1532 O PHE A 99 -5.993 5.483 -1.287 1.00 1.88 O ATOM 1533 CB PHE A 99 -3.069 4.916 0.267 1.00 1.99 C ATOM 1534 CG PHE A 99 -2.723 6.184 -0.463 1.00 2.57 C ATOM 1535 CD1 PHE A 99 -3.185 6.467 -1.742 1.00 3.32 C ATOM 1536 CD2 PHE A 99 -1.898 7.087 0.157 1.00 2.85 C ATOM 1537 CE1 PHE A 99 -2.826 7.638 -2.379 1.00 4.08 C ATOM 1538 CE2 PHE A 99 -1.533 8.262 -0.471 1.00 3.52 C ATOM 1539 CZ PHE A 99 -1.999 8.540 -1.741 1.00 4.06 C ATOM 0 H PHE A 99 -3.111 4.011 -1.883 1.00 1.35 H new ATOM 0 HA PHE A 99 -4.531 3.363 0.494 1.00 1.63 H new ATOM 0 HB2 PHE A 99 -3.208 5.159 1.321 1.00 1.99 H new ATOM 0 HB3 PHE A 99 -2.212 4.245 0.205 1.00 1.99 H new ATOM 0 HD1 PHE A 99 -3.832 5.763 -2.244 1.00 3.32 H new ATOM 0 HD2 PHE A 99 -1.529 6.877 1.150 1.00 2.85 H new ATOM 0 HE1 PHE A 99 -3.191 7.848 -3.374 1.00 4.08 H new ATOM 0 HE2 PHE A 99 -0.883 8.963 0.031 1.00 3.52 H new ATOM 0 HZ PHE A 99 -1.717 9.459 -2.233 1.00 4.06 H new ATOM 1549 N THR A 100 -6.126 5.252 0.942 1.00 2.06 N ATOM 1550 CA THR A 100 -7.455 5.845 1.039 1.00 2.38 C ATOM 1551 C THR A 100 -7.396 7.365 1.125 1.00 2.94 C ATOM 1552 O THR A 100 -6.307 7.937 1.171 1.00 3.28 O ATOM 1553 CB THR A 100 -8.227 5.289 2.249 1.00 2.84 C ATOM 1554 OG1 THR A 100 -7.657 5.783 3.466 1.00 3.38 O ATOM 1555 CG2 THR A 100 -8.170 3.771 2.254 1.00 2.94 C ATOM 0 H THR A 100 -5.694 5.033 1.840 1.00 2.06 H new ATOM 0 HA THR A 100 -7.983 5.574 0.125 1.00 2.38 H new ATOM 0 HB THR A 100 -9.265 5.614 2.175 1.00 2.84 H new ATOM 0 HG1 THR A 100 -8.048 5.306 4.228 1.00 3.38 H new ATOM 0 HG21 THR A 100 -8.719 3.389 3.114 1.00 2.94 H new ATOM 0 HG22 THR A 100 -8.618 3.387 1.338 1.00 2.94 H new ATOM 0 HG23 THR A 100 -7.131 3.446 2.314 1.00 2.94 H new ATOM 1563 N ASN A 101 -8.555 8.021 1.161 1.00 3.32 N ATOM 1564 CA ASN A 101 -8.596 9.472 1.305 1.00 4.03 C ATOM 1565 C ASN A 101 -8.047 9.868 2.667 1.00 4.57 C ATOM 1566 O ASN A 101 -7.261 10.807 2.773 1.00 5.20 O ATOM 1567 CB ASN A 101 -10.014 10.027 1.126 1.00 4.31 C ATOM 1568 CG ASN A 101 -10.568 9.790 -0.268 1.00 4.72 C ATOM 1569 OD1 ASN A 101 -10.269 10.535 -1.203 1.00 4.96 O ATOM 1570 ND2 ASN A 101 -11.404 8.773 -0.409 1.00 5.26 N ATOM 0 H ASN A 101 -9.469 7.574 1.093 1.00 3.32 H new ATOM 0 HA ASN A 101 -7.976 9.903 0.518 1.00 4.03 H new ATOM 0 HB2 ASN A 101 -10.675 9.564 1.858 1.00 4.31 H new ATOM 0 HB3 ASN A 101 -10.009 11.097 1.333 1.00 4.31 H new ATOM 0 HD21 ASN A 101 -11.827 8.583 -1.318 1.00 5.26 H new ATOM 0 HD22 ASN A 101 -11.625 8.180 0.391 1.00 5.26 H new ATOM 1577 N GLU A 102 -8.463 9.128 3.699 1.00 4.60 N ATOM 1578 CA GLU A 102 -7.897 9.258 5.044 1.00 5.35 C ATOM 1579 C GLU A 102 -6.399 9.258 4.981 1.00 5.46 C ATOM 1580 O GLU A 102 -5.748 10.117 5.534 1.00 6.29 O ATOM 1581 CB GLU A 102 -8.306 8.069 5.908 1.00 5.53 C ATOM 1582 CG GLU A 102 -7.808 8.156 7.346 1.00 6.47 C ATOM 1583 CD GLU A 102 -8.343 7.043 8.218 1.00 6.94 C ATOM 1584 OE1 GLU A 102 -7.752 5.946 8.225 1.00 7.14 O ATOM 1585 OE2 GLU A 102 -9.354 7.270 8.912 1.00 7.27 O ATOM 0 H GLU A 102 -9.198 8.425 3.626 1.00 4.60 H new ATOM 0 HA GLU A 102 -8.268 10.191 5.467 1.00 5.35 H new ATOM 0 HB2 GLU A 102 -9.393 7.992 5.913 1.00 5.53 H new ATOM 0 HB3 GLU A 102 -7.924 7.154 5.455 1.00 5.53 H new ATOM 0 HG2 GLU A 102 -6.718 8.124 7.351 1.00 6.47 H new ATOM 0 HG3 GLU A 102 -8.101 9.117 7.770 1.00 6.47 H new ATOM 1592 N ILE A 103 -5.883 8.277 4.287 1.00 4.72 N ATOM 1593 CA ILE A 103 -4.470 7.992 4.254 1.00 4.83 C ATOM 1594 C ILE A 103 -3.708 8.985 3.381 1.00 5.33 C ATOM 1595 O ILE A 103 -2.639 9.460 3.753 1.00 6.13 O ATOM 1596 CB ILE A 103 -4.305 6.556 3.764 1.00 3.89 C ATOM 1597 CG1 ILE A 103 -5.003 5.635 4.776 1.00 3.79 C ATOM 1598 CG2 ILE A 103 -2.842 6.208 3.563 1.00 4.11 C ATOM 1599 CD1 ILE A 103 -4.195 5.345 6.023 1.00 4.69 C ATOM 0 H ILE A 103 -6.442 7.642 3.718 1.00 4.72 H new ATOM 0 HA ILE A 103 -4.043 8.098 5.251 1.00 4.83 H new ATOM 0 HB ILE A 103 -4.769 6.427 2.786 1.00 3.89 H new ATOM 0 HG12 ILE A 103 -5.949 6.090 5.069 1.00 3.79 H new ATOM 0 HG13 ILE A 103 -5.241 4.691 4.285 1.00 3.79 H new ATOM 0 HG21 ILE A 103 -2.757 5.179 3.214 1.00 4.11 H new ATOM 0 HG22 ILE A 103 -2.407 6.879 2.823 1.00 4.11 H new ATOM 0 HG23 ILE A 103 -2.309 6.315 4.508 1.00 4.11 H new ATOM 0 HD11 ILE A 103 -4.764 4.688 6.681 1.00 4.69 H new ATOM 0 HD12 ILE A 103 -3.260 4.859 5.746 1.00 4.69 H new ATOM 0 HD13 ILE A 103 -3.979 6.279 6.542 1.00 4.69 H new ATOM 1611 N GLN A 104 -4.264 9.292 2.225 1.00 5.08 N ATOM 1612 CA GLN A 104 -3.741 10.349 1.363 1.00 5.89 C ATOM 1613 C GLN A 104 -3.739 11.691 2.093 1.00 6.83 C ATOM 1614 O GLN A 104 -2.885 12.539 1.850 1.00 7.71 O ATOM 1615 CB GLN A 104 -4.584 10.435 0.086 1.00 5.73 C ATOM 1616 CG GLN A 104 -4.165 11.542 -0.867 1.00 6.66 C ATOM 1617 CD GLN A 104 -5.060 11.619 -2.087 1.00 6.98 C ATOM 1618 OE1 GLN A 104 -6.078 12.310 -2.081 1.00 7.29 O ATOM 1619 NE2 GLN A 104 -4.691 10.911 -3.141 1.00 7.22 N ATOM 0 H GLN A 104 -5.088 8.821 1.853 1.00 5.08 H new ATOM 0 HA GLN A 104 -2.712 10.109 1.097 1.00 5.89 H new ATOM 0 HB2 GLN A 104 -4.528 9.481 -0.437 1.00 5.73 H new ATOM 0 HB3 GLN A 104 -5.627 10.586 0.363 1.00 5.73 H new ATOM 0 HG2 GLN A 104 -4.186 12.497 -0.343 1.00 6.66 H new ATOM 0 HG3 GLN A 104 -3.136 11.375 -1.184 1.00 6.66 H new ATOM 0 HE21 GLN A 104 -3.840 10.350 -3.106 1.00 7.22 H new ATOM 0 HE22 GLN A 104 -5.258 10.925 -3.989 1.00 7.22 H new ATOM 1628 N THR A 105 -4.698 11.882 2.978 1.00 6.74 N ATOM 1629 CA THR A 105 -4.740 13.068 3.810 1.00 7.68 C ATOM 1630 C THR A 105 -3.802 12.910 5.004 1.00 8.30 C ATOM 1631 O THR A 105 -3.058 13.826 5.352 1.00 9.19 O ATOM 1632 CB THR A 105 -6.172 13.326 4.291 1.00 7.57 C ATOM 1633 OG1 THR A 105 -7.036 13.459 3.153 1.00 7.08 O ATOM 1634 CG2 THR A 105 -6.245 14.575 5.142 1.00 8.57 C ATOM 0 H THR A 105 -5.463 11.227 3.140 1.00 6.74 H new ATOM 0 HA THR A 105 -4.410 13.922 3.218 1.00 7.68 H new ATOM 0 HB THR A 105 -6.491 12.483 4.903 1.00 7.57 H new ATOM 0 HG1 THR A 105 -7.154 12.584 2.728 1.00 7.08 H new ATOM 0 HG21 THR A 105 -7.273 14.733 5.469 1.00 8.57 H new ATOM 0 HG22 THR A 105 -5.601 14.460 6.014 1.00 8.57 H new ATOM 0 HG23 THR A 105 -5.914 15.433 4.557 1.00 8.57 H new ATOM 1642 N LEU A 106 -3.830 11.723 5.589 1.00 7.91 N ATOM 1643 CA LEU A 106 -3.012 11.374 6.727 1.00 8.57 C ATOM 1644 C LEU A 106 -1.536 11.589 6.409 1.00 9.03 C ATOM 1645 O LEU A 106 -0.870 12.457 6.969 1.00 9.98 O ATOM 1646 CB LEU A 106 -3.204 9.880 7.015 1.00 8.07 C ATOM 1647 CG LEU A 106 -3.159 9.468 8.473 1.00 8.62 C ATOM 1648 CD1 LEU A 106 -1.789 9.733 9.082 1.00 9.66 C ATOM 1649 CD2 LEU A 106 -4.237 10.221 9.199 1.00 8.76 C ATOM 0 H LEU A 106 -4.436 10.964 5.276 1.00 7.91 H new ATOM 0 HA LEU A 106 -3.302 11.994 7.575 1.00 8.57 H new ATOM 0 HB2 LEU A 106 -4.164 9.572 6.602 1.00 8.07 H new ATOM 0 HB3 LEU A 106 -2.434 9.326 6.479 1.00 8.07 H new ATOM 0 HG LEU A 106 -3.332 8.395 8.562 1.00 8.62 H new ATOM 0 HD11 LEU A 106 -1.790 9.427 10.128 1.00 9.66 H new ATOM 0 HD12 LEU A 106 -1.033 9.166 8.539 1.00 9.66 H new ATOM 0 HD13 LEU A 106 -1.561 10.797 9.016 1.00 9.66 H new ATOM 0 HD21 LEU A 106 -4.228 9.944 10.253 1.00 8.76 H new ATOM 0 HD22 LEU A 106 -4.060 11.292 9.104 1.00 8.76 H new ATOM 0 HD23 LEU A 106 -5.207 9.974 8.767 1.00 8.76 H new ATOM 1661 N LEU A 107 -1.061 10.771 5.485 1.00 8.40 N ATOM 1662 CA LEU A 107 0.328 10.761 5.076 1.00 8.87 C ATOM 1663 C LEU A 107 0.621 11.910 4.105 1.00 9.47 C ATOM 1664 O LEU A 107 1.635 12.592 4.237 1.00 10.40 O ATOM 1665 CB LEU A 107 0.667 9.327 4.559 1.00 8.12 C ATOM 1666 CG LEU A 107 1.328 9.115 3.177 1.00 7.72 C ATOM 1667 CD1 LEU A 107 0.388 9.479 2.029 1.00 7.31 C ATOM 1668 CD2 LEU A 107 2.659 9.842 3.075 1.00 8.15 C ATOM 0 H LEU A 107 -1.638 10.088 4.994 1.00 8.40 H new ATOM 0 HA LEU A 107 1.002 10.959 5.910 1.00 8.87 H new ATOM 0 HB2 LEU A 107 1.321 8.867 5.300 1.00 8.12 H new ATOM 0 HB3 LEU A 107 -0.264 8.759 4.558 1.00 8.12 H new ATOM 0 HG LEU A 107 1.537 8.049 3.083 1.00 7.72 H new ATOM 0 HD11 LEU A 107 0.894 9.314 1.078 1.00 7.31 H new ATOM 0 HD12 LEU A 107 -0.504 8.855 2.078 1.00 7.31 H new ATOM 0 HD13 LEU A 107 0.102 10.528 2.111 1.00 7.31 H new ATOM 0 HD21 LEU A 107 3.093 9.670 2.090 1.00 8.15 H new ATOM 0 HD22 LEU A 107 2.502 10.911 3.220 1.00 8.15 H new ATOM 0 HD23 LEU A 107 3.338 9.468 3.841 1.00 8.15 H new ATOM 1680 N GLY A 108 -0.291 12.155 3.168 1.00 9.03 N ATOM 1681 CA GLY A 108 -0.059 13.167 2.147 1.00 9.69 C ATOM 1682 C GLY A 108 0.001 14.576 2.702 1.00 10.48 C ATOM 1683 O GLY A 108 0.915 15.337 2.386 1.00 11.40 O ATOM 0 H GLY A 108 -1.187 11.672 3.096 1.00 9.03 H new ATOM 0 HA2 GLY A 108 0.876 12.946 1.633 1.00 9.69 H new ATOM 0 HA3 GLY A 108 -0.853 13.111 1.402 1.00 9.69 H new ATOM 1687 N SER A 109 -0.974 14.933 3.526 1.00 10.17 N ATOM 1688 CA SER A 109 -1.010 16.261 4.120 1.00 10.92 C ATOM 1689 C SER A 109 -0.205 16.297 5.413 1.00 11.57 C ATOM 1690 O SER A 109 -0.129 17.328 6.082 1.00 12.29 O ATOM 1691 CB SER A 109 -2.454 16.691 4.381 1.00 10.44 C ATOM 1692 OG SER A 109 -3.221 16.624 3.190 1.00 10.23 O ATOM 0 H SER A 109 -1.747 14.325 3.797 1.00 10.17 H new ATOM 0 HA SER A 109 -0.559 16.961 3.416 1.00 10.92 H new ATOM 0 HB2 SER A 109 -2.898 16.049 5.142 1.00 10.44 H new ATOM 0 HB3 SER A 109 -2.470 17.708 4.773 1.00 10.44 H new ATOM 0 HG SER A 109 -4.142 16.901 3.378 1.00 10.23 H new ATOM 1698 N SER A 110 0.409 15.152 5.731 1.00 11.42 N ATOM 1699 CA SER A 110 1.137 14.939 6.981 1.00 12.14 C ATOM 1700 C SER A 110 0.331 15.430 8.184 1.00 12.39 C ATOM 1701 O SER A 110 0.611 16.484 8.758 1.00 13.11 O ATOM 1702 CB SER A 110 2.525 15.601 6.928 1.00 13.07 C ATOM 1703 OG SER A 110 2.448 16.960 6.532 1.00 13.50 O ATOM 0 H SER A 110 0.413 14.338 5.117 1.00 11.42 H new ATOM 0 HA SER A 110 1.284 13.866 7.104 1.00 12.14 H new ATOM 0 HB2 SER A 110 2.996 15.535 7.909 1.00 13.07 H new ATOM 0 HB3 SER A 110 3.161 15.055 6.231 1.00 13.07 H new ATOM 0 HG SER A 110 1.551 17.306 6.721 1.00 13.50 H new ATOM 1709 N VAL A 111 -0.665 14.646 8.567 1.00 11.91 N ATOM 1710 CA VAL A 111 -1.522 14.985 9.690 1.00 12.25 C ATOM 1711 C VAL A 111 -1.645 13.817 10.645 1.00 12.29 C ATOM 1712 O VAL A 111 -2.039 12.718 10.259 1.00 11.92 O ATOM 1713 CB VAL A 111 -2.909 15.425 9.245 1.00 11.96 C ATOM 1714 CG1 VAL A 111 -3.821 15.669 10.439 1.00 11.92 C ATOM 1715 CG2 VAL A 111 -2.820 16.671 8.392 1.00 11.91 C ATOM 0 H VAL A 111 -0.900 13.764 8.112 1.00 11.91 H new ATOM 0 HA VAL A 111 -1.049 15.825 10.200 1.00 12.25 H new ATOM 0 HB VAL A 111 -3.339 14.619 8.650 1.00 11.96 H new ATOM 0 HG11 VAL A 111 -4.804 15.982 10.088 1.00 11.92 H new ATOM 0 HG12 VAL A 111 -3.918 14.750 11.017 1.00 11.92 H new ATOM 0 HG13 VAL A 111 -3.395 16.450 11.069 1.00 11.92 H new ATOM 0 HG21 VAL A 111 -3.821 16.972 8.082 1.00 11.91 H new ATOM 0 HG22 VAL A 111 -2.361 17.475 8.968 1.00 11.91 H new ATOM 0 HG23 VAL A 111 -2.214 16.465 7.510 1.00 11.91 H new ATOM 1725 N GLU A 112 -1.318 14.070 11.893 1.00 12.90 N ATOM 1726 CA GLU A 112 -1.338 13.058 12.915 1.00 13.24 C ATOM 1727 C GLU A 112 -1.341 13.724 14.286 1.00 13.69 C ATOM 1728 O GLU A 112 -0.290 14.015 14.859 1.00 14.29 O ATOM 1729 CB GLU A 112 -0.126 12.145 12.760 1.00 13.71 C ATOM 1730 CG GLU A 112 0.093 11.259 13.957 1.00 13.91 C ATOM 1731 CD GLU A 112 1.429 10.554 13.923 1.00 14.63 C ATOM 1732 OE1 GLU A 112 1.503 9.440 13.369 1.00 14.80 O ATOM 1733 OE2 GLU A 112 2.417 11.117 14.445 1.00 15.16 O ATOM 0 H GLU A 112 -1.030 14.990 12.225 1.00 12.90 H new ATOM 0 HA GLU A 112 -2.239 12.453 12.817 1.00 13.24 H new ATOM 0 HB2 GLU A 112 -0.255 11.525 11.873 1.00 13.71 H new ATOM 0 HB3 GLU A 112 0.763 12.754 12.597 1.00 13.71 H new ATOM 0 HG2 GLU A 112 0.026 11.858 14.865 1.00 13.91 H new ATOM 0 HG3 GLU A 112 -0.704 10.517 14.005 1.00 13.91 H new ATOM 1740 N TRP A 113 -2.531 13.999 14.788 1.00 13.54 N ATOM 1741 CA TRP A 113 -2.681 14.660 16.077 1.00 14.09 C ATOM 1742 C TRP A 113 -3.565 13.818 16.981 1.00 14.39 C ATOM 1743 O TRP A 113 -4.243 14.327 17.874 1.00 14.69 O ATOM 1744 CB TRP A 113 -3.282 16.055 15.889 1.00 14.55 C ATOM 1745 CG TRP A 113 -2.615 16.848 14.804 1.00 15.20 C ATOM 1746 CD1 TRP A 113 -3.186 17.285 13.644 1.00 15.73 C ATOM 1747 CD2 TRP A 113 -1.248 17.278 14.765 1.00 15.55 C ATOM 1748 NE1 TRP A 113 -2.262 17.966 12.892 1.00 16.37 N ATOM 1749 CE2 TRP A 113 -1.066 17.976 13.556 1.00 16.28 C ATOM 1750 CE3 TRP A 113 -0.162 17.145 15.634 1.00 15.47 C ATOM 1751 CZ2 TRP A 113 0.157 18.536 13.195 1.00 16.91 C ATOM 1752 CZ3 TRP A 113 1.050 17.701 15.275 1.00 16.12 C ATOM 1753 CH2 TRP A 113 1.200 18.388 14.065 1.00 16.82 C ATOM 0 H TRP A 113 -3.411 13.775 14.324 1.00 13.54 H new ATOM 0 HA TRP A 113 -1.701 14.769 16.541 1.00 14.09 H new ATOM 0 HB2 TRP A 113 -4.343 15.958 15.658 1.00 14.55 H new ATOM 0 HB3 TRP A 113 -3.209 16.604 16.828 1.00 14.55 H new ATOM 0 HD1 TRP A 113 -4.215 17.119 13.360 1.00 15.73 H new ATOM 0 HE1 TRP A 113 -2.439 18.396 11.984 1.00 16.37 H new ATOM 0 HE3 TRP A 113 -0.269 16.617 16.570 1.00 15.47 H new ATOM 0 HZ2 TRP A 113 0.276 19.067 12.262 1.00 16.91 H new ATOM 0 HZ3 TRP A 113 1.896 17.604 15.939 1.00 16.12 H new ATOM 0 HH2 TRP A 113 2.162 18.811 13.813 1.00 16.82 H new ATOM 1764 N LEU A 114 -3.536 12.518 16.729 1.00 14.46 N ATOM 1765 CA LEU A 114 -4.385 11.559 17.416 1.00 14.88 C ATOM 1766 C LEU A 114 -3.983 10.166 16.961 1.00 14.77 C ATOM 1767 O LEU A 114 -2.922 10.006 16.355 1.00 14.87 O ATOM 1768 CB LEU A 114 -5.872 11.822 17.085 1.00 14.71 C ATOM 1769 CG LEU A 114 -6.405 11.225 15.765 1.00 14.42 C ATOM 1770 CD1 LEU A 114 -7.851 11.632 15.544 1.00 14.77 C ATOM 1771 CD2 LEU A 114 -5.560 11.628 14.562 1.00 13.74 C ATOM 0 H LEU A 114 -2.917 12.097 16.036 1.00 14.46 H new ATOM 0 HA LEU A 114 -4.261 11.654 18.495 1.00 14.88 H new ATOM 0 HB2 LEU A 114 -6.477 11.432 17.904 1.00 14.71 H new ATOM 0 HB3 LEU A 114 -6.029 12.900 17.059 1.00 14.71 H new ATOM 0 HG LEU A 114 -6.343 10.141 15.859 1.00 14.42 H new ATOM 0 HD11 LEU A 114 -8.211 11.203 14.609 1.00 14.77 H new ATOM 0 HD12 LEU A 114 -8.462 11.267 16.370 1.00 14.77 H new ATOM 0 HD13 LEU A 114 -7.920 12.719 15.494 1.00 14.77 H new ATOM 0 HD21 LEU A 114 -5.977 11.182 13.659 1.00 13.74 H new ATOM 0 HD22 LEU A 114 -5.560 12.714 14.464 1.00 13.74 H new ATOM 0 HD23 LEU A 114 -4.538 11.277 14.701 1.00 13.74 H new ATOM 1783 N HIS A 115 -4.810 9.171 17.236 1.00 14.74 N ATOM 1784 CA HIS A 115 -4.666 7.885 16.576 1.00 14.69 C ATOM 1785 C HIS A 115 -5.117 8.060 15.129 1.00 13.76 C ATOM 1786 O HIS A 115 -6.314 8.160 14.866 1.00 13.30 O ATOM 1787 CB HIS A 115 -5.498 6.808 17.277 1.00 15.28 C ATOM 1788 CG HIS A 115 -5.087 6.571 18.697 1.00 16.23 C ATOM 1789 ND1 HIS A 115 -5.824 7.005 19.776 1.00 16.92 N ATOM 1790 CD2 HIS A 115 -4.002 5.947 19.213 1.00 16.71 C ATOM 1791 CE1 HIS A 115 -5.208 6.663 20.891 1.00 17.74 C ATOM 1792 NE2 HIS A 115 -4.099 6.021 20.579 1.00 17.64 N ATOM 0 H HIS A 115 -5.579 9.227 17.904 1.00 14.74 H new ATOM 0 HA HIS A 115 -3.627 7.557 16.616 1.00 14.69 H new ATOM 0 HB2 HIS A 115 -6.548 7.098 17.254 1.00 15.28 H new ATOM 0 HB3 HIS A 115 -5.413 5.874 16.721 1.00 15.28 H new ATOM 0 HD2 HIS A 115 -3.207 5.478 18.653 1.00 16.71 H new ATOM 0 HE1 HIS A 115 -5.554 6.874 21.892 1.00 17.74 H new ATOM 0 HE2 HIS A 115 -3.425 5.642 21.244 1.00 17.64 H new ATOM 1801 N PRO A 116 -4.156 8.116 14.184 1.00 13.61 N ATOM 1802 CA PRO A 116 -4.357 8.585 12.807 1.00 12.85 C ATOM 1803 C PRO A 116 -5.666 8.144 12.171 1.00 12.23 C ATOM 1804 O PRO A 116 -5.972 6.952 12.071 1.00 12.33 O ATOM 1805 CB PRO A 116 -3.148 8.019 12.060 1.00 13.13 C ATOM 1806 CG PRO A 116 -2.490 7.095 13.023 1.00 13.94 C ATOM 1807 CD PRO A 116 -2.769 7.706 14.354 1.00 14.31 C ATOM 0 HA PRO A 116 -4.431 9.672 12.772 1.00 12.85 H new ATOM 0 HB2 PRO A 116 -3.455 7.492 11.156 1.00 13.13 H new ATOM 0 HB3 PRO A 116 -2.469 8.814 11.751 1.00 13.13 H new ATOM 0 HG2 PRO A 116 -2.899 6.087 12.953 1.00 13.94 H new ATOM 0 HG3 PRO A 116 -1.419 7.018 12.835 1.00 13.94 H new ATOM 0 HD2 PRO A 116 -2.646 6.993 15.169 1.00 14.31 H new ATOM 0 HD3 PRO A 116 -2.112 8.550 14.567 1.00 14.31 H new ATOM 1815 N SER A 117 -6.429 9.143 11.750 1.00 11.74 N ATOM 1816 CA SER A 117 -7.751 8.954 11.182 1.00 11.28 C ATOM 1817 C SER A 117 -8.123 10.185 10.358 1.00 10.87 C ATOM 1818 O SER A 117 -9.178 10.783 10.562 1.00 11.32 O ATOM 1819 CB SER A 117 -8.778 8.741 12.300 1.00 11.79 C ATOM 1820 OG SER A 117 -8.495 7.566 13.045 1.00 12.28 O ATOM 0 H SER A 117 -6.140 10.120 11.795 1.00 11.74 H new ATOM 0 HA SER A 117 -7.748 8.073 10.540 1.00 11.28 H new ATOM 0 HB2 SER A 117 -8.778 9.604 12.965 1.00 11.79 H new ATOM 0 HB3 SER A 117 -9.777 8.669 11.870 1.00 11.79 H new ATOM 0 HG SER A 117 -7.814 7.764 13.722 1.00 12.28 H new ATOM 1826 N ASP A 118 -7.233 10.533 9.426 1.00 10.18 N ATOM 1827 CA ASP A 118 -7.342 11.753 8.616 1.00 9.94 C ATOM 1828 C ASP A 118 -7.129 12.973 9.509 1.00 10.35 C ATOM 1829 O ASP A 118 -5.981 13.448 9.590 1.00 10.70 O ATOM 1830 CB ASP A 118 -8.707 11.831 7.908 1.00 10.30 C ATOM 1831 CG ASP A 118 -8.820 12.975 6.914 1.00 10.88 C ATOM 1832 OD1 ASP A 118 -8.691 14.150 7.318 1.00 11.18 O ATOM 1833 OD2 ASP A 118 -9.062 12.700 5.720 1.00 11.20 O ATOM 1834 OXT ASP A 118 -8.097 13.431 10.156 1.00 10.55 O ATOM 0 H ASP A 118 -6.409 9.973 9.209 1.00 10.18 H new ATOM 0 HA ASP A 118 -6.574 11.731 7.843 1.00 9.94 H new ATOM 0 HB2 ASP A 118 -8.890 10.891 7.387 1.00 10.30 H new ATOM 0 HB3 ASP A 118 -9.490 11.937 8.659 1.00 10.30 H new TER 1839 ASP A 118 END