USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 993 hydrogens (0 hets) HEADER ALLERGEN 07-APR-97 1AHK TITLE DER F 2, THE MAJOR MITE ALLERGEN FROM DERMATOPHAGOIDES TITLE 2 FARINAE, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DER F 2; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: DER F II; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DERMATOPHAGOIDES FARINAE; SOURCE 3 ORGANISM_COMMON: AMERICAN HOUSE DUST MITE; SOURCE 4 ORGANISM_TAXID: 6954; SOURCE 5 CELLULAR_LOCATION: EXTRACELLULAR; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PFLT1 KEYWDS ALLERGEN, IMMUNOGLOBULIN FOLD EXPDTA SOLUTION NMR AUTHOR S.ICHIKAWA,H.HATANAKA,T.YUUKI,N.IWAMOTO,K.OGURA,Y.OKUMURA, AUTHOR 2 F.INAGAKI REVDAT 2 24-FEB-09 1AHK 1 VERSN REVDAT 1 08-APR-98 1AHK 0 JRNL AUTH S.ICHIKAWA,H.HATANAKA,T.YUUKI,N.IWAMOTO,S.KOJIMA, JRNL AUTH 2 C.NISHIYAMA,K.OGURA,Y.OKUMURA,F.INAGAKI JRNL TITL SOLUTION STRUCTURE OF DER F 2, THE MAJOR MITE JRNL TITL 2 ALLERGEN FOR ATOPIC DISEASES. JRNL REF J.BIOL.CHEM. V. 273 356 1998 JRNL REFN ISSN 0021-9258 JRNL PMID 9417088 JRNL DOI 10.1074/JBC.273.1.356 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 1AHK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 328 REMARK 210 PH : 5.6 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, HN(CO)CA, HNCA, REMARK 210 CBCA(CO)NH, CBCANH, HBHA(CO) REMARK 210 NH, HN(CA)HA, C(CO)NH, HC(C)H- REMARK 210 TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS 600 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DYNAMICAL SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST FNOE+FREPEL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 GLN A 2 -178.60 -57.64 REMARK 500 LYS A 6 87.74 -69.68 REMARK 500 CYS A 8 48.59 -146.91 REMARK 500 ASN A 10 36.67 167.48 REMARK 500 ASN A 11 28.74 49.82 REMARK 500 LYS A 15 108.40 -172.91 REMARK 500 ASP A 19 86.57 -62.03 REMARK 500 CYS A 21 -37.41 154.47 REMARK 500 HIS A 22 127.21 77.71 REMARK 500 SER A 24 -84.49 70.96 REMARK 500 ASP A 25 -169.18 -54.80 REMARK 500 CYS A 27 93.58 -27.87 REMARK 500 THR A 36 84.91 -69.21 REMARK 500 ALA A 39 104.79 158.81 REMARK 500 PHE A 41 145.33 178.22 REMARK 500 GLN A 45 -141.15 -87.62 REMARK 500 ASN A 46 68.27 -155.29 REMARK 500 ALA A 50 154.25 175.59 REMARK 500 LYS A 51 -165.32 -124.62 REMARK 500 GLU A 53 48.78 -151.64 REMARK 500 LEU A 61 77.19 -151.72 REMARK 500 ASP A 64 149.00 -174.11 REMARK 500 ASP A 69 -162.58 -76.79 REMARK 500 ASN A 71 65.05 175.49 REMARK 500 ALA A 72 29.31 39.92 REMARK 500 LYS A 77 86.62 -63.36 REMARK 500 CYS A 78 -57.75 -26.79 REMARK 500 LEU A 80 -70.85 -92.83 REMARK 500 VAL A 81 -170.19 41.96 REMARK 500 LYS A 82 43.09 -102.42 REMARK 500 ILE A 88 -164.29 -57.55 REMARK 500 LYS A 89 177.97 163.01 REMARK 500 TYR A 90 76.36 -163.32 REMARK 500 THR A 91 -175.65 -47.50 REMARK 500 TRP A 92 95.47 -165.36 REMARK 500 PRO A 95 -89.14 -80.11 REMARK 500 LYS A 96 -47.74 -133.49 REMARK 500 ALA A 98 174.03 52.44 REMARK 500 LYS A 100 132.54 57.59 REMARK 500 ASN A 103 156.92 176.57 REMARK 500 VAL A 105 117.61 -176.59 REMARK 500 LYS A 109 129.03 178.86 REMARK 500 CYS A 119 156.50 179.33 REMARK 500 ALA A 120 127.11 -173.73 REMARK 500 HIS A 124 155.13 59.01 REMARK 500 ARG A 128 -82.96 138.85 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 31 0.11 SIDE_CHAIN REMARK 500 ARG A 128 0.29 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AHM RELATED DB: PDB DBREF 1AHK A 1 129 UNP Q00855 ALL2_DERFA 14 142 SEQRES 1 A 129 ASP GLN VAL ASP VAL LYS ASP CYS ALA ASN ASN GLU ILE SEQRES 2 A 129 LYS LYS VAL MET VAL ASP GLY CYS HIS GLY SER ASP PRO SEQRES 3 A 129 CYS ILE ILE HIS ARG GLY LYS PRO PHE THR LEU GLU ALA SEQRES 4 A 129 LEU PHE ASP ALA ASN GLN ASN THR LYS THR ALA LYS ILE SEQRES 5 A 129 GLU ILE LYS ALA SER LEU ASP GLY LEU GLU ILE ASP VAL SEQRES 6 A 129 PRO GLY ILE ASP THR ASN ALA CYS HIS PHE VAL LYS CYS SEQRES 7 A 129 PRO LEU VAL LYS GLY GLN GLN TYR ASP ILE LYS TYR THR SEQRES 8 A 129 TRP ASN VAL PRO LYS ILE ALA PRO LYS SER GLU ASN VAL SEQRES 9 A 129 VAL VAL THR VAL LYS LEU ILE GLY ASP ASN GLY VAL LEU SEQRES 10 A 129 ALA CYS ALA ILE ALA THR HIS GLY LYS ILE ARG ASP SHEET 1 A 3 ILE A 13 ASP A 19 0 SHEET 2 A 3 THR A 36 ALA A 43 -1 N GLU A 38 O MET A 17 SHEET 3 A 3 GLN A 85 TRP A 92 -1 N ILE A 88 O ALA A 39 SHEET 1 B 5 GLU A 62 VAL A 65 0 SHEET 2 B 5 THR A 49 SER A 57 -1 N ALA A 56 O ILE A 63 SHEET 3 B 5 VAL A 104 ILE A 111 -1 N THR A 107 O LYS A 55 SHEET 4 B 5 VAL A 116 ILE A 127 -1 N ALA A 120 O VAL A 108 SHEET 5 B 5 VAL A 5 CYS A 8 -1 N LYS A 6 O ILE A 121 SSBOND *** CYS A 8 CYS A 119 1555 1555 2.02 SSBOND *** CYS A 21 CYS A 27 1555 1555 2.02 SSBOND *** CYS A 73 CYS A 78 1555 1555 2.03 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 46 ASN : amide:sc= -8.26! C(o=-13!,f=-18!) USER MOD Set 1.2: A 114 ASN : amide:sc= -4.36! C(o=-13!,f=-14!) USER MOD Set 2.1: A 47 THR OG1 : rot -128:sc= -1.21! USER MOD Set 2.2: A 49 THR OG1 : rot -57:sc= 0.461 USER MOD Set 3.1: A 14 LYS NZ :NH3+ -122:sc= -1.1 (180deg=-2.88!) USER MOD Set 3.2: A 85 GLN : amide:sc= -6.32! C(o=-7.4!,f=-14!) USER MOD Single : A 1 ASP N :NH3+ 175:sc= 0.826 (180deg=0.757) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.825! C(o=-2.2!,f=-0.83!) USER MOD Single : A 11 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -141:sc= -4.02! (180deg=-7.04!) USER MOD Single : A 22 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.33) USER MOD Single : A 24 SER OG : rot 180:sc=-0.00808 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.828 F(o=-2.4!,f=-0.83) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 44 ASN : amide:sc= -3.93! C(o=-3.9!,f=-3.8!) USER MOD Single : A 45 GLN : amide:sc= -19.8! C(o=-20!,f=-29!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= -1.21! (180deg=-1.88!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.1 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -3.73! C(o=-3.7!,f=-4.5!) USER MOD Single : A 74 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.12) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 86 TYR OH : rot 144:sc= -3.89 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 130:sc= -1.96! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.0694 K(o=-0.069,f=-2.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -161:sc= -0.222 (180deg=-0.677) USER MOD Single : A 101 SER OG : rot 112:sc= -0.764 USER MOD Single : A 103 ASN : amide:sc= -0.361 K(o=-0.36,f=-5.6!) USER MOD Single : A 107 THR OG1 : rot -41:sc= 0.175 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -1.150 -0.466 -0.637 1.00 1.65 N ATOM 2 CA ASP A 1 -2.073 0.690 -0.815 1.00 1.27 C ATOM 3 C ASP A 1 -3.263 0.545 0.133 1.00 1.13 C ATOM 4 O ASP A 1 -4.008 -0.412 0.069 1.00 2.07 O ATOM 5 CB ASP A 1 -2.578 0.721 -2.259 1.00 1.71 C ATOM 6 CG ASP A 1 -1.392 0.860 -3.214 1.00 2.60 C ATOM 7 OD1 ASP A 1 -0.268 0.822 -2.740 1.00 3.10 O ATOM 8 OD2 ASP A 1 -1.627 1.002 -4.402 1.00 3.71 O ATOM 0 H1 ASP A 1 -0.385 -0.411 -1.340 1.00 1.65 H new ATOM 0 H2 ASP A 1 -0.743 -0.441 0.320 1.00 1.65 H new ATOM 0 H3 ASP A 1 -1.676 -1.354 -0.766 1.00 1.65 H new ATOM 0 HA ASP A 1 -1.541 1.615 -0.593 1.00 1.27 H new ATOM 0 HB2 ASP A 1 -3.132 -0.191 -2.481 1.00 1.71 H new ATOM 0 HB3 ASP A 1 -3.268 1.554 -2.396 1.00 1.71 H new ATOM 15 N GLN A 2 -3.449 1.492 1.010 1.00 0.95 N ATOM 16 CA GLN A 2 -4.594 1.414 1.958 1.00 0.76 C ATOM 17 C GLN A 2 -5.896 1.317 1.168 1.00 0.99 C ATOM 18 O GLN A 2 -5.899 1.284 -0.047 1.00 2.13 O ATOM 19 CB GLN A 2 -4.622 2.666 2.831 1.00 1.00 C ATOM 20 CG GLN A 2 -4.245 3.870 1.978 1.00 1.36 C ATOM 21 CD GLN A 2 -4.729 5.151 2.656 1.00 1.90 C ATOM 22 OE1 GLN A 2 -5.916 5.358 2.815 1.00 2.89 O ATOM 23 NE2 GLN A 2 -3.854 6.027 3.067 1.00 1.97 N ATOM 0 H GLN A 2 -2.857 2.317 1.111 1.00 0.95 H new ATOM 0 HA GLN A 2 -4.483 0.534 2.592 1.00 0.76 H new ATOM 0 HB2 GLN A 2 -5.614 2.804 3.260 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -3.926 2.561 3.663 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -3.164 3.906 1.839 1.00 1.36 H new ATOM 0 HG3 GLN A 2 -4.691 3.780 0.987 1.00 1.36 H new ATOM 0 HE21 GLN A 2 -2.858 5.854 2.934 1.00 1.97 H new ATOM 0 HE22 GLN A 2 -4.166 6.885 3.522 1.00 1.97 H new ATOM 32 N VAL A 3 -7.000 1.269 1.851 1.00 0.83 N ATOM 33 CA VAL A 3 -8.312 1.170 1.146 1.00 0.80 C ATOM 34 C VAL A 3 -9.384 1.908 1.952 1.00 0.88 C ATOM 35 O VAL A 3 -9.084 2.741 2.784 1.00 1.38 O ATOM 36 CB VAL A 3 -8.698 -0.302 0.999 1.00 1.01 C ATOM 37 CG1 VAL A 3 -8.639 -0.708 -0.475 1.00 1.64 C ATOM 38 CG2 VAL A 3 -7.720 -1.162 1.797 1.00 1.18 C ATOM 0 H VAL A 3 -7.056 1.294 2.869 1.00 0.83 H new ATOM 0 HA VAL A 3 -8.231 1.624 0.158 1.00 0.80 H new ATOM 0 HB VAL A 3 -9.711 -0.448 1.374 1.00 1.01 H new ATOM 0 HG11 VAL A 3 -8.915 -1.758 -0.575 1.00 1.64 H new ATOM 0 HG12 VAL A 3 -9.333 -0.094 -1.049 1.00 1.64 H new ATOM 0 HG13 VAL A 3 -7.627 -0.561 -0.853 1.00 1.64 H new ATOM 0 HG21 VAL A 3 -7.992 -2.213 1.695 1.00 1.18 H new ATOM 0 HG22 VAL A 3 -6.709 -1.010 1.418 1.00 1.18 H new ATOM 0 HG23 VAL A 3 -7.760 -0.878 2.849 1.00 1.18 H new ATOM 48 N ASP A 4 -10.634 1.618 1.711 1.00 0.94 N ATOM 49 CA ASP A 4 -11.714 2.316 2.464 1.00 1.07 C ATOM 50 C ASP A 4 -12.556 1.302 3.245 1.00 0.88 C ATOM 51 O ASP A 4 -13.725 1.115 2.972 1.00 1.31 O ATOM 52 CB ASP A 4 -12.615 3.065 1.482 1.00 1.41 C ATOM 53 CG ASP A 4 -12.545 4.565 1.769 1.00 1.68 C ATOM 54 OD1 ASP A 4 -11.466 5.121 1.654 1.00 2.03 O ATOM 55 OD2 ASP A 4 -13.573 5.133 2.100 1.00 2.16 O ATOM 0 H ASP A 4 -10.953 0.931 1.028 1.00 0.94 H new ATOM 0 HA ASP A 4 -11.260 3.018 3.163 1.00 1.07 H new ATOM 0 HB2 ASP A 4 -12.300 2.865 0.458 1.00 1.41 H new ATOM 0 HB3 ASP A 4 -13.643 2.714 1.574 1.00 1.41 H new ATOM 60 N VAL A 5 -11.980 0.654 4.222 1.00 0.84 N ATOM 61 CA VAL A 5 -12.764 -0.333 5.021 1.00 0.76 C ATOM 62 C VAL A 5 -13.464 0.400 6.166 1.00 0.75 C ATOM 63 O VAL A 5 -12.879 1.236 6.827 1.00 0.90 O ATOM 64 CB VAL A 5 -11.826 -1.398 5.594 1.00 0.79 C ATOM 65 CG1 VAL A 5 -11.380 -2.343 4.477 1.00 0.89 C ATOM 66 CG2 VAL A 5 -10.599 -0.721 6.208 1.00 0.89 C ATOM 0 H VAL A 5 -11.005 0.764 4.501 1.00 0.84 H new ATOM 0 HA VAL A 5 -13.503 -0.816 4.382 1.00 0.76 H new ATOM 0 HB VAL A 5 -12.351 -1.966 6.362 1.00 0.79 H new ATOM 0 HG11 VAL A 5 -10.712 -3.101 4.887 1.00 0.89 H new ATOM 0 HG12 VAL A 5 -12.253 -2.827 4.040 1.00 0.89 H new ATOM 0 HG13 VAL A 5 -10.856 -1.775 3.708 1.00 0.89 H new ATOM 0 HG21 VAL A 5 -9.931 -1.480 6.616 1.00 0.89 H new ATOM 0 HG22 VAL A 5 -10.075 -0.151 5.440 1.00 0.89 H new ATOM 0 HG23 VAL A 5 -10.915 -0.049 7.006 1.00 0.89 H new ATOM 76 N LYS A 6 -14.712 0.103 6.406 1.00 0.69 N ATOM 77 CA LYS A 6 -15.437 0.796 7.507 1.00 0.69 C ATOM 78 C LYS A 6 -14.880 0.338 8.855 1.00 0.63 C ATOM 79 O LYS A 6 -15.372 -0.594 9.458 1.00 0.71 O ATOM 80 CB LYS A 6 -16.928 0.466 7.429 1.00 0.72 C ATOM 81 CG LYS A 6 -17.656 1.582 6.677 1.00 0.88 C ATOM 82 CD LYS A 6 -19.031 1.086 6.225 1.00 1.87 C ATOM 83 CE LYS A 6 -20.115 1.996 6.804 1.00 2.36 C ATOM 84 NZ LYS A 6 -20.408 3.096 5.842 1.00 3.34 N ATOM 0 H LYS A 6 -15.258 -0.586 5.890 1.00 0.69 H new ATOM 0 HA LYS A 6 -15.301 1.873 7.407 1.00 0.69 H new ATOM 0 HB2 LYS A 6 -17.075 -0.487 6.920 1.00 0.72 H new ATOM 0 HB3 LYS A 6 -17.341 0.359 8.432 1.00 0.72 H new ATOM 0 HG2 LYS A 6 -17.767 2.455 7.320 1.00 0.88 H new ATOM 0 HG3 LYS A 6 -17.069 1.895 5.813 1.00 0.88 H new ATOM 0 HD2 LYS A 6 -19.088 1.081 5.137 1.00 1.87 H new ATOM 0 HD3 LYS A 6 -19.187 0.060 6.557 1.00 1.87 H new ATOM 0 HE2 LYS A 6 -21.020 1.421 7.002 1.00 2.36 H new ATOM 0 HE3 LYS A 6 -19.786 2.410 7.757 1.00 2.36 H new ATOM 0 HZ1 LYS A 6 -21.145 3.715 6.236 1.00 3.34 H new ATOM 0 HZ2 LYS A 6 -19.544 3.650 5.675 1.00 3.34 H new ATOM 0 HZ3 LYS A 6 -20.740 2.692 4.943 1.00 3.34 H new ATOM 98 N ASP A 7 -13.857 0.989 9.332 1.00 0.62 N ATOM 99 CA ASP A 7 -13.267 0.594 10.640 1.00 0.61 C ATOM 100 C ASP A 7 -14.042 1.275 11.769 1.00 0.59 C ATOM 101 O ASP A 7 -14.793 2.204 11.545 1.00 0.66 O ATOM 102 CB ASP A 7 -11.800 1.025 10.692 1.00 0.70 C ATOM 103 CG ASP A 7 -11.697 2.525 10.404 1.00 1.57 C ATOM 104 OD1 ASP A 7 -12.681 3.216 10.606 1.00 2.42 O ATOM 105 OD2 ASP A 7 -10.635 2.956 9.986 1.00 2.18 O ATOM 0 H ASP A 7 -13.404 1.778 8.872 1.00 0.62 H new ATOM 0 HA ASP A 7 -13.328 -0.488 10.756 1.00 0.61 H new ATOM 0 HB2 ASP A 7 -11.379 0.803 11.673 1.00 0.70 H new ATOM 0 HB3 ASP A 7 -11.219 0.463 9.961 1.00 0.70 H new ATOM 110 N CYS A 8 -13.873 0.822 12.982 1.00 0.69 N ATOM 111 CA CYS A 8 -14.611 1.449 14.113 1.00 0.75 C ATOM 112 C CYS A 8 -13.758 1.404 15.385 1.00 0.82 C ATOM 113 O CYS A 8 -14.224 1.015 16.437 1.00 1.32 O ATOM 114 CB CYS A 8 -15.919 0.689 14.354 1.00 0.92 C ATOM 115 SG CYS A 8 -16.539 0.025 12.787 1.00 1.54 S ATOM 0 H CYS A 8 -13.259 0.049 13.237 1.00 0.69 H new ATOM 0 HA CYS A 8 -14.829 2.487 13.863 1.00 0.75 H new ATOM 0 HB2 CYS A 8 -15.754 -0.122 15.063 1.00 0.92 H new ATOM 0 HB3 CYS A 8 -16.661 1.354 14.797 1.00 0.92 H new ATOM 120 N ALA A 9 -12.517 1.804 15.306 1.00 0.55 N ATOM 121 CA ALA A 9 -11.654 1.784 16.524 1.00 0.66 C ATOM 122 C ALA A 9 -11.916 3.032 17.355 1.00 0.90 C ATOM 123 O ALA A 9 -12.459 2.971 18.440 1.00 1.27 O ATOM 124 CB ALA A 9 -10.175 1.786 16.129 1.00 0.59 C ATOM 0 H ALA A 9 -12.065 2.142 14.456 1.00 0.55 H new ATOM 0 HA ALA A 9 -11.887 0.884 17.093 1.00 0.66 H new ATOM 0 HB1 ALA A 9 -9.558 1.771 17.028 1.00 0.59 H new ATOM 0 HB2 ALA A 9 -9.958 0.904 15.526 1.00 0.59 H new ATOM 0 HB3 ALA A 9 -9.954 2.684 15.552 1.00 0.59 H new ATOM 130 N ASN A 10 -11.505 4.164 16.860 1.00 1.11 N ATOM 131 CA ASN A 10 -11.696 5.419 17.626 1.00 1.43 C ATOM 132 C ASN A 10 -10.863 6.525 16.981 1.00 1.39 C ATOM 133 O ASN A 10 -10.297 7.362 17.655 1.00 2.14 O ATOM 134 CB ASN A 10 -11.207 5.182 19.052 1.00 1.74 C ATOM 135 CG ASN A 10 -12.393 5.226 20.018 1.00 2.32 C ATOM 136 OD1 ASN A 10 -12.800 6.377 20.481 1.00 2.88 O flip ATOM 137 ND2 ASN A 10 -12.955 4.203 20.357 1.00 2.84 N flip ATOM 0 H ASN A 10 -11.045 4.272 15.956 1.00 1.11 H new ATOM 0 HA ASN A 10 -12.746 5.712 17.631 1.00 1.43 H new ATOM 0 HB2 ASN A 10 -10.706 4.216 19.119 1.00 1.74 H new ATOM 0 HB3 ASN A 10 -10.474 5.941 19.326 1.00 1.74 H new ATOM 0 HD21 ASN A 10 -12.638 3.303 19.996 1.00 2.84 H new ATOM 0 HD22 ASN A 10 -13.744 4.244 21.002 1.00 2.84 H new ATOM 144 N ASN A 11 -10.769 6.527 15.680 1.00 0.95 N ATOM 145 CA ASN A 11 -9.955 7.570 15.002 1.00 0.94 C ATOM 146 C ASN A 11 -8.582 7.631 15.673 1.00 1.05 C ATOM 147 O ASN A 11 -7.939 8.661 15.706 1.00 1.22 O ATOM 148 CB ASN A 11 -10.649 8.928 15.127 1.00 1.06 C ATOM 149 CG ASN A 11 -10.113 9.875 14.052 1.00 2.16 C ATOM 150 OD1 ASN A 11 -9.425 9.453 13.143 1.00 2.98 O ATOM 151 ND2 ASN A 11 -10.399 11.146 14.117 1.00 2.99 N ATOM 0 H ASN A 11 -11.219 5.853 15.060 1.00 0.95 H new ATOM 0 HA ASN A 11 -9.843 7.326 13.946 1.00 0.94 H new ATOM 0 HB2 ASN A 11 -11.727 8.809 15.017 1.00 1.06 H new ATOM 0 HB3 ASN A 11 -10.474 9.348 16.117 1.00 1.06 H new ATOM 0 HD21 ASN A 11 -10.045 11.785 13.405 1.00 2.99 H new ATOM 0 HD22 ASN A 11 -10.976 11.500 14.880 1.00 2.99 H new ATOM 158 N GLU A 12 -8.134 6.530 16.218 1.00 1.08 N ATOM 159 CA GLU A 12 -6.809 6.519 16.898 1.00 1.33 C ATOM 160 C GLU A 12 -5.886 5.499 16.225 1.00 1.20 C ATOM 161 O GLU A 12 -4.695 5.484 16.463 1.00 1.70 O ATOM 162 CB GLU A 12 -6.995 6.139 18.368 1.00 1.59 C ATOM 163 CG GLU A 12 -7.742 7.257 19.097 1.00 1.86 C ATOM 164 CD GLU A 12 -6.734 8.189 19.772 1.00 1.83 C ATOM 165 OE1 GLU A 12 -5.609 8.250 19.304 1.00 2.20 O ATOM 166 OE2 GLU A 12 -7.103 8.824 20.746 1.00 2.27 O ATOM 0 H GLU A 12 -8.630 5.639 16.221 1.00 1.08 H new ATOM 0 HA GLU A 12 -6.362 7.511 16.827 1.00 1.33 H new ATOM 0 HB2 GLU A 12 -7.552 5.205 18.445 1.00 1.59 H new ATOM 0 HB3 GLU A 12 -6.025 5.971 18.836 1.00 1.59 H new ATOM 0 HG2 GLU A 12 -8.356 7.818 18.393 1.00 1.86 H new ATOM 0 HG3 GLU A 12 -8.416 6.833 19.841 1.00 1.86 H new ATOM 173 N ILE A 13 -6.418 4.643 15.391 1.00 0.69 N ATOM 174 CA ILE A 13 -5.552 3.633 14.718 1.00 0.72 C ATOM 175 C ILE A 13 -4.279 4.315 14.226 1.00 0.95 C ATOM 176 O ILE A 13 -4.278 5.474 13.863 1.00 1.68 O ATOM 177 CB ILE A 13 -6.297 3.007 13.538 1.00 0.74 C ATOM 178 CG1 ILE A 13 -7.522 2.246 14.063 1.00 0.81 C ATOM 179 CG2 ILE A 13 -5.362 2.043 12.801 1.00 0.72 C ATOM 180 CD1 ILE A 13 -8.124 1.383 12.949 1.00 0.78 C ATOM 0 H ILE A 13 -7.408 4.600 15.149 1.00 0.69 H new ATOM 0 HA ILE A 13 -5.295 2.845 15.426 1.00 0.72 H new ATOM 0 HB ILE A 13 -6.623 3.786 12.849 1.00 0.74 H new ATOM 0 HG12 ILE A 13 -7.235 1.617 14.906 1.00 0.81 H new ATOM 0 HG13 ILE A 13 -8.268 2.951 14.430 1.00 0.81 H new ATOM 0 HG21 ILE A 13 -5.891 1.595 11.959 1.00 0.72 H new ATOM 0 HG22 ILE A 13 -4.492 2.588 12.435 1.00 0.72 H new ATOM 0 HG23 ILE A 13 -5.037 1.258 13.484 1.00 0.72 H new ATOM 0 HD11 ILE A 13 -8.992 0.848 13.333 1.00 0.78 H new ATOM 0 HD12 ILE A 13 -8.428 2.021 12.119 1.00 0.78 H new ATOM 0 HD13 ILE A 13 -7.380 0.666 12.602 1.00 0.78 H new ATOM 192 N LYS A 14 -3.193 3.603 14.227 1.00 0.73 N ATOM 193 CA LYS A 14 -1.905 4.198 13.778 1.00 0.76 C ATOM 194 C LYS A 14 -1.622 3.771 12.348 1.00 0.78 C ATOM 195 O LYS A 14 -0.826 4.372 11.655 1.00 0.94 O ATOM 196 CB LYS A 14 -0.767 3.685 14.658 1.00 0.96 C ATOM 197 CG LYS A 14 -1.333 3.063 15.938 1.00 0.91 C ATOM 198 CD LYS A 14 -0.350 3.284 17.087 1.00 1.40 C ATOM 199 CE LYS A 14 -0.371 4.758 17.497 1.00 1.50 C ATOM 200 NZ LYS A 14 0.792 5.461 16.885 1.00 2.14 N ATOM 0 H LYS A 14 -3.139 2.628 14.521 1.00 0.73 H new ATOM 0 HA LYS A 14 -1.975 5.284 13.846 1.00 0.76 H new ATOM 0 HB2 LYS A 14 -0.180 2.945 14.113 1.00 0.96 H new ATOM 0 HB3 LYS A 14 -0.093 4.504 14.909 1.00 0.96 H new ATOM 0 HG2 LYS A 14 -2.297 3.512 16.178 1.00 0.91 H new ATOM 0 HG3 LYS A 14 -1.505 1.997 15.792 1.00 0.91 H new ATOM 0 HD2 LYS A 14 -0.618 2.655 17.936 1.00 1.40 H new ATOM 0 HD3 LYS A 14 0.655 2.994 16.781 1.00 1.40 H new ATOM 0 HE2 LYS A 14 -1.302 5.223 17.173 1.00 1.50 H new ATOM 0 HE3 LYS A 14 -0.332 4.845 18.583 1.00 1.50 H new ATOM 0 HZ1 LYS A 14 1.372 5.889 17.634 1.00 2.14 H new ATOM 0 HZ2 LYS A 14 1.367 4.780 16.349 1.00 2.14 H new ATOM 0 HZ3 LYS A 14 0.450 6.205 16.244 1.00 2.14 H new ATOM 214 N LYS A 15 -2.243 2.719 11.907 1.00 0.74 N ATOM 215 CA LYS A 15 -1.973 2.246 10.527 1.00 0.77 C ATOM 216 C LYS A 15 -2.929 1.116 10.161 1.00 0.74 C ATOM 217 O LYS A 15 -2.814 0.010 10.644 1.00 0.87 O ATOM 218 CB LYS A 15 -0.546 1.725 10.473 1.00 0.84 C ATOM 219 CG LYS A 15 0.250 2.509 9.427 1.00 0.96 C ATOM 220 CD LYS A 15 1.310 1.600 8.803 1.00 1.14 C ATOM 221 CE LYS A 15 2.172 0.986 9.907 1.00 1.11 C ATOM 222 NZ LYS A 15 3.509 1.644 9.918 1.00 1.76 N ATOM 0 H LYS A 15 -2.920 2.170 12.437 1.00 0.74 H new ATOM 0 HA LYS A 15 -2.112 3.067 9.824 1.00 0.77 H new ATOM 0 HB2 LYS A 15 -0.075 1.824 11.451 1.00 0.84 H new ATOM 0 HB3 LYS A 15 -0.545 0.664 10.224 1.00 0.84 H new ATOM 0 HG2 LYS A 15 -0.419 2.888 8.655 1.00 0.96 H new ATOM 0 HG3 LYS A 15 0.725 3.374 9.890 1.00 0.96 H new ATOM 0 HD2 LYS A 15 0.831 0.813 8.221 1.00 1.14 H new ATOM 0 HD3 LYS A 15 1.934 2.171 8.115 1.00 1.14 H new ATOM 0 HE2 LYS A 15 1.686 1.111 10.874 1.00 1.11 H new ATOM 0 HE3 LYS A 15 2.284 -0.086 9.742 1.00 1.11 H new ATOM 0 HZ1 LYS A 15 4.095 1.226 10.669 1.00 1.76 H new ATOM 0 HZ2 LYS A 15 3.973 1.503 8.998 1.00 1.76 H new ATOM 0 HZ3 LYS A 15 3.393 2.662 10.095 1.00 1.76 H new ATOM 236 N VAL A 16 -3.860 1.384 9.300 1.00 0.71 N ATOM 237 CA VAL A 16 -4.823 0.327 8.888 1.00 0.73 C ATOM 238 C VAL A 16 -4.915 0.297 7.363 1.00 0.62 C ATOM 239 O VAL A 16 -5.450 1.196 6.745 1.00 0.70 O ATOM 240 CB VAL A 16 -6.199 0.634 9.482 1.00 0.91 C ATOM 241 CG1 VAL A 16 -6.674 2.003 8.991 1.00 1.10 C ATOM 242 CG2 VAL A 16 -7.197 -0.439 9.041 1.00 0.98 C ATOM 0 H VAL A 16 -4.000 2.293 8.859 1.00 0.71 H new ATOM 0 HA VAL A 16 -4.483 -0.643 9.250 1.00 0.73 H new ATOM 0 HB VAL A 16 -6.130 0.642 10.570 1.00 0.91 H new ATOM 0 HG11 VAL A 16 -7.654 2.221 9.414 1.00 1.10 H new ATOM 0 HG12 VAL A 16 -5.964 2.768 9.305 1.00 1.10 H new ATOM 0 HG13 VAL A 16 -6.742 1.996 7.903 1.00 1.10 H new ATOM 0 HG21 VAL A 16 -8.177 -0.220 9.464 1.00 0.98 H new ATOM 0 HG22 VAL A 16 -7.265 -0.447 7.953 1.00 0.98 H new ATOM 0 HG23 VAL A 16 -6.860 -1.415 9.391 1.00 0.98 H new ATOM 252 N MET A 17 -4.395 -0.729 6.752 1.00 0.53 N ATOM 253 CA MET A 17 -4.449 -0.815 5.266 1.00 0.54 C ATOM 254 C MET A 17 -4.656 -2.269 4.843 1.00 0.65 C ATOM 255 O MET A 17 -4.906 -3.137 5.657 1.00 1.13 O ATOM 256 CB MET A 17 -3.138 -0.296 4.673 1.00 0.60 C ATOM 257 CG MET A 17 -2.847 1.102 5.220 1.00 0.81 C ATOM 258 SD MET A 17 -1.764 0.972 6.664 1.00 1.64 S ATOM 259 CE MET A 17 -0.785 2.461 6.350 1.00 2.05 C ATOM 0 H MET A 17 -3.935 -1.512 7.216 1.00 0.53 H new ATOM 0 HA MET A 17 -5.278 -0.209 4.901 1.00 0.54 H new ATOM 0 HB2 MET A 17 -2.321 -0.973 4.923 1.00 0.60 H new ATOM 0 HB3 MET A 17 -3.206 -0.265 3.586 1.00 0.60 H new ATOM 0 HG2 MET A 17 -2.374 1.714 4.452 1.00 0.81 H new ATOM 0 HG3 MET A 17 -3.778 1.598 5.494 1.00 0.81 H new ATOM 0 HE1 MET A 17 0.258 2.270 6.600 1.00 2.05 H new ATOM 0 HE2 MET A 17 -0.862 2.732 5.297 1.00 2.05 H new ATOM 0 HE3 MET A 17 -1.161 3.280 6.963 1.00 2.05 H new ATOM 269 N VAL A 18 -4.563 -2.534 3.572 1.00 0.65 N ATOM 270 CA VAL A 18 -4.762 -3.920 3.075 1.00 0.61 C ATOM 271 C VAL A 18 -4.073 -4.053 1.712 1.00 0.68 C ATOM 272 O VAL A 18 -4.343 -3.303 0.795 1.00 1.06 O ATOM 273 CB VAL A 18 -6.264 -4.202 2.937 1.00 0.65 C ATOM 274 CG1 VAL A 18 -6.576 -5.585 3.507 1.00 1.18 C ATOM 275 CG2 VAL A 18 -7.071 -3.155 3.716 1.00 1.08 C ATOM 0 H VAL A 18 -4.356 -1.843 2.851 1.00 0.65 H new ATOM 0 HA VAL A 18 -4.333 -4.638 3.774 1.00 0.61 H new ATOM 0 HB VAL A 18 -6.534 -4.160 1.882 1.00 0.65 H new ATOM 0 HG11 VAL A 18 -7.643 -5.787 3.410 1.00 1.18 H new ATOM 0 HG12 VAL A 18 -6.013 -6.340 2.959 1.00 1.18 H new ATOM 0 HG13 VAL A 18 -6.296 -5.616 4.560 1.00 1.18 H new ATOM 0 HG21 VAL A 18 -8.136 -3.364 3.611 1.00 1.08 H new ATOM 0 HG22 VAL A 18 -6.795 -3.194 4.770 1.00 1.08 H new ATOM 0 HG23 VAL A 18 -6.856 -2.162 3.321 1.00 1.08 H new ATOM 285 N ASP A 19 -3.166 -4.982 1.581 1.00 0.74 N ATOM 286 CA ASP A 19 -2.437 -5.141 0.287 1.00 0.80 C ATOM 287 C ASP A 19 -3.404 -5.497 -0.849 1.00 0.75 C ATOM 288 O ASP A 19 -3.598 -6.651 -1.173 1.00 1.29 O ATOM 289 CB ASP A 19 -1.395 -6.251 0.425 1.00 0.90 C ATOM 290 CG ASP A 19 0.003 -5.670 0.204 1.00 1.27 C ATOM 291 OD1 ASP A 19 0.329 -4.695 0.861 1.00 1.59 O ATOM 292 OD2 ASP A 19 0.724 -6.211 -0.619 1.00 1.73 O ATOM 0 H ASP A 19 -2.897 -5.639 2.313 1.00 0.74 H new ATOM 0 HA ASP A 19 -1.952 -4.195 0.047 1.00 0.80 H new ATOM 0 HB2 ASP A 19 -1.460 -6.704 1.414 1.00 0.90 H new ATOM 0 HB3 ASP A 19 -1.591 -7.040 -0.301 1.00 0.90 H new ATOM 297 N GLY A 20 -3.989 -4.511 -1.475 1.00 0.99 N ATOM 298 CA GLY A 20 -4.919 -4.790 -2.609 1.00 0.95 C ATOM 299 C GLY A 20 -6.201 -5.455 -2.100 1.00 0.84 C ATOM 300 O GLY A 20 -6.167 -6.341 -1.270 1.00 1.59 O ATOM 0 H GLY A 20 -3.863 -3.524 -1.250 1.00 0.99 H new ATOM 0 HA2 GLY A 20 -5.164 -3.861 -3.123 1.00 0.95 H new ATOM 0 HA3 GLY A 20 -4.430 -5.438 -3.337 1.00 0.95 H new ATOM 304 N CYS A 21 -7.329 -5.030 -2.609 1.00 0.79 N ATOM 305 CA CYS A 21 -8.635 -5.618 -2.186 1.00 0.49 C ATOM 306 C CYS A 21 -9.736 -4.572 -2.412 1.00 0.55 C ATOM 307 O CYS A 21 -10.849 -4.891 -2.773 1.00 0.95 O ATOM 308 CB CYS A 21 -8.612 -5.945 -0.692 1.00 0.52 C ATOM 309 SG CYS A 21 -10.174 -5.403 0.059 1.00 0.91 S ATOM 0 H CYS A 21 -7.401 -4.291 -3.309 1.00 0.79 H new ATOM 0 HA CYS A 21 -8.817 -6.526 -2.762 1.00 0.49 H new ATOM 0 HB2 CYS A 21 -8.475 -7.016 -0.544 1.00 0.52 H new ATOM 0 HB3 CYS A 21 -7.771 -5.446 -0.211 1.00 0.52 H new ATOM 314 N HIS A 22 -9.423 -3.318 -2.163 1.00 0.71 N ATOM 315 CA HIS A 22 -10.422 -2.226 -2.327 1.00 0.73 C ATOM 316 C HIS A 22 -11.375 -2.226 -1.129 1.00 0.61 C ATOM 317 O HIS A 22 -11.947 -3.233 -0.773 1.00 1.00 O ATOM 318 CB HIS A 22 -11.204 -2.411 -3.625 1.00 0.98 C ATOM 319 CG HIS A 22 -10.894 -1.272 -4.558 1.00 1.46 C ATOM 320 ND1 HIS A 22 -11.016 0.055 -4.174 1.00 2.03 N ATOM 321 CD2 HIS A 22 -10.458 -1.246 -5.861 1.00 2.52 C ATOM 322 CE1 HIS A 22 -10.661 0.816 -5.226 1.00 2.44 C ATOM 323 NE2 HIS A 22 -10.311 0.073 -6.280 1.00 2.90 N ATOM 0 H HIS A 22 -8.503 -3.009 -1.849 1.00 0.71 H new ATOM 0 HA HIS A 22 -9.902 -1.269 -2.375 1.00 0.73 H new ATOM 0 HB2 HIS A 22 -10.939 -3.360 -4.091 1.00 0.98 H new ATOM 0 HB3 HIS A 22 -12.273 -2.445 -3.417 1.00 0.98 H new ATOM 0 HD2 HIS A 22 -10.260 -2.117 -6.468 1.00 2.52 H new ATOM 0 HE1 HIS A 22 -10.659 1.896 -5.219 1.00 2.44 H new ATOM 0 HE2 HIS A 22 -10.002 0.402 -7.195 1.00 2.90 H new ATOM 331 N GLY A 23 -11.529 -1.102 -0.492 1.00 0.70 N ATOM 332 CA GLY A 23 -12.433 -1.029 0.697 1.00 0.85 C ATOM 333 C GLY A 23 -13.730 -0.297 0.330 1.00 0.68 C ATOM 334 O GLY A 23 -13.849 0.281 -0.732 1.00 0.72 O ATOM 0 H GLY A 23 -11.069 -0.226 -0.740 1.00 0.70 H new ATOM 0 HA2 GLY A 23 -12.662 -2.034 1.052 1.00 0.85 H new ATOM 0 HA3 GLY A 23 -11.932 -0.509 1.513 1.00 0.85 H new ATOM 338 N SER A 24 -14.702 -0.320 1.207 1.00 0.67 N ATOM 339 CA SER A 24 -15.994 0.372 0.917 1.00 0.79 C ATOM 340 C SER A 24 -16.751 -0.398 -0.167 1.00 0.85 C ATOM 341 O SER A 24 -17.593 -1.225 0.119 1.00 1.62 O ATOM 342 CB SER A 24 -15.713 1.794 0.431 1.00 0.93 C ATOM 343 OG SER A 24 -16.180 2.721 1.401 1.00 1.38 O ATOM 0 H SER A 24 -14.656 -0.789 2.112 1.00 0.67 H new ATOM 0 HA SER A 24 -16.597 0.412 1.824 1.00 0.79 H new ATOM 0 HB2 SER A 24 -14.644 1.930 0.266 1.00 0.93 H new ATOM 0 HB3 SER A 24 -16.208 1.969 -0.524 1.00 0.93 H new ATOM 0 HG SER A 24 -16.000 3.634 1.094 1.00 1.38 H new ATOM 349 N ASP A 25 -16.442 -0.140 -1.407 1.00 0.90 N ATOM 350 CA ASP A 25 -17.106 -0.850 -2.518 1.00 0.93 C ATOM 351 C ASP A 25 -16.935 -2.359 -2.286 1.00 0.82 C ATOM 352 O ASP A 25 -16.505 -2.761 -1.223 1.00 0.73 O ATOM 353 CB ASP A 25 -16.415 -0.397 -3.807 1.00 1.07 C ATOM 354 CG ASP A 25 -15.180 -1.267 -4.060 1.00 2.14 C ATOM 355 OD1 ASP A 25 -14.466 -1.540 -3.109 1.00 3.08 O ATOM 356 OD2 ASP A 25 -14.969 -1.645 -5.201 1.00 2.50 O ATOM 0 H ASP A 25 -15.744 0.546 -1.695 1.00 0.90 H new ATOM 0 HA ASP A 25 -18.172 -0.634 -2.583 1.00 0.93 H new ATOM 0 HB2 ASP A 25 -17.105 -0.473 -4.648 1.00 1.07 H new ATOM 0 HB3 ASP A 25 -16.124 0.651 -3.727 1.00 1.07 H new ATOM 361 N PRO A 26 -17.262 -3.163 -3.266 1.00 0.84 N ATOM 362 CA PRO A 26 -17.129 -4.618 -3.139 1.00 0.77 C ATOM 363 C PRO A 26 -15.649 -4.973 -3.228 1.00 0.72 C ATOM 364 O PRO A 26 -15.130 -5.290 -4.279 1.00 0.86 O ATOM 365 CB PRO A 26 -17.948 -5.167 -4.311 1.00 0.87 C ATOM 366 CG PRO A 26 -18.054 -4.020 -5.341 1.00 0.99 C ATOM 367 CD PRO A 26 -17.762 -2.712 -4.577 1.00 1.00 C ATOM 0 HA PRO A 26 -17.487 -5.033 -2.197 1.00 0.77 H new ATOM 0 HB2 PRO A 26 -17.463 -6.039 -4.749 1.00 0.87 H new ATOM 0 HB3 PRO A 26 -18.937 -5.485 -3.980 1.00 0.87 H new ATOM 0 HG2 PRO A 26 -17.341 -4.162 -6.153 1.00 0.99 H new ATOM 0 HG3 PRO A 26 -19.047 -3.993 -5.790 1.00 0.99 H new ATOM 0 HD2 PRO A 26 -17.022 -2.103 -5.097 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -18.660 -2.103 -4.473 1.00 1.00 H new ATOM 375 N CYS A 27 -14.973 -4.864 -2.113 1.00 0.66 N ATOM 376 CA CYS A 27 -13.508 -5.129 -2.053 1.00 0.65 C ATOM 377 C CYS A 27 -13.067 -6.125 -3.116 1.00 0.58 C ATOM 378 O CYS A 27 -13.058 -7.322 -2.904 1.00 0.58 O ATOM 379 CB CYS A 27 -13.132 -5.669 -0.665 1.00 0.68 C ATOM 380 SG CYS A 27 -11.577 -6.605 -0.766 1.00 0.98 S ATOM 0 H CYS A 27 -15.388 -4.596 -1.221 1.00 0.66 H new ATOM 0 HA CYS A 27 -12.996 -4.185 -2.241 1.00 0.65 H new ATOM 0 HB2 CYS A 27 -13.025 -4.844 0.039 1.00 0.68 H new ATOM 0 HB3 CYS A 27 -13.928 -6.310 -0.286 1.00 0.68 H new ATOM 385 N ILE A 28 -12.639 -5.637 -4.245 1.00 0.63 N ATOM 386 CA ILE A 28 -12.126 -6.564 -5.272 1.00 0.60 C ATOM 387 C ILE A 28 -10.639 -6.704 -5.000 1.00 0.57 C ATOM 388 O ILE A 28 -9.960 -5.737 -4.721 1.00 0.72 O ATOM 389 CB ILE A 28 -12.319 -6.029 -6.679 1.00 0.66 C ATOM 390 CG1 ILE A 28 -13.805 -5.915 -7.000 1.00 0.71 C ATOM 391 CG2 ILE A 28 -11.654 -7.020 -7.629 1.00 0.75 C ATOM 392 CD1 ILE A 28 -14.379 -7.313 -7.121 1.00 0.90 C ATOM 0 H ILE A 28 -12.624 -4.648 -4.494 1.00 0.63 H new ATOM 0 HA ILE A 28 -12.664 -7.511 -5.217 1.00 0.60 H new ATOM 0 HB ILE A 28 -11.879 -5.037 -6.779 1.00 0.66 H new ATOM 0 HG12 ILE A 28 -14.321 -5.360 -6.216 1.00 0.71 H new ATOM 0 HG13 ILE A 28 -13.951 -5.364 -7.929 1.00 0.71 H new ATOM 0 HG21 ILE A 28 -11.769 -6.673 -8.656 1.00 0.75 H new ATOM 0 HG22 ILE A 28 -10.594 -7.098 -7.389 1.00 0.75 H new ATOM 0 HG23 ILE A 28 -12.123 -7.998 -7.522 1.00 0.75 H new ATOM 0 HD11 ILE A 28 -15.443 -7.251 -7.351 1.00 0.90 H new ATOM 0 HD12 ILE A 28 -13.866 -7.849 -7.919 1.00 0.90 H new ATOM 0 HD13 ILE A 28 -14.242 -7.845 -6.180 1.00 0.90 H new ATOM 404 N ILE A 29 -10.125 -7.885 -5.031 1.00 0.47 N ATOM 405 CA ILE A 29 -8.691 -8.048 -4.713 1.00 0.47 C ATOM 406 C ILE A 29 -7.928 -8.617 -5.897 1.00 0.47 C ATOM 407 O ILE A 29 -8.499 -9.033 -6.886 1.00 0.61 O ATOM 408 CB ILE A 29 -8.607 -8.984 -3.537 1.00 0.50 C ATOM 409 CG1 ILE A 29 -10.005 -9.036 -2.921 1.00 0.62 C ATOM 410 CG2 ILE A 29 -7.569 -8.472 -2.533 1.00 0.62 C ATOM 411 CD1 ILE A 29 -9.938 -9.657 -1.532 1.00 0.64 C ATOM 0 H ILE A 29 -10.628 -8.742 -5.261 1.00 0.47 H new ATOM 0 HA ILE A 29 -8.242 -7.082 -4.481 1.00 0.47 H new ATOM 0 HB ILE A 29 -8.290 -9.983 -3.837 1.00 0.50 H new ATOM 0 HG12 ILE A 29 -10.422 -8.031 -2.859 1.00 0.62 H new ATOM 0 HG13 ILE A 29 -10.671 -9.619 -3.558 1.00 0.62 H new ATOM 0 HG21 ILE A 29 -7.515 -9.155 -1.685 1.00 0.62 H new ATOM 0 HG22 ILE A 29 -6.593 -8.415 -3.016 1.00 0.62 H new ATOM 0 HG23 ILE A 29 -7.859 -7.482 -2.183 1.00 0.62 H new ATOM 0 HD11 ILE A 29 -10.938 -9.690 -1.100 1.00 0.64 H new ATOM 0 HD12 ILE A 29 -9.540 -10.669 -1.605 1.00 0.64 H new ATOM 0 HD13 ILE A 29 -9.288 -9.056 -0.896 1.00 0.64 H new ATOM 423 N HIS A 30 -6.635 -8.623 -5.800 1.00 0.53 N ATOM 424 CA HIS A 30 -5.808 -9.151 -6.923 1.00 0.59 C ATOM 425 C HIS A 30 -5.080 -10.434 -6.504 1.00 0.60 C ATOM 426 O HIS A 30 -4.915 -10.722 -5.335 1.00 0.77 O ATOM 427 CB HIS A 30 -4.780 -8.096 -7.332 1.00 0.83 C ATOM 428 CG HIS A 30 -5.478 -6.788 -7.586 1.00 0.99 C ATOM 429 ND1 HIS A 30 -6.346 -6.048 -6.821 1.00 1.45 N flip ATOM 430 CD2 HIS A 30 -5.317 -6.081 -8.767 1.00 1.19 C flip ATOM 431 CE1 HIS A 30 -6.719 -4.900 -7.513 1.00 1.62 C flip ATOM 432 NE2 HIS A 30 -6.071 -4.969 -8.679 1.00 1.47 N flip ATOM 0 H HIS A 30 -6.109 -8.286 -4.993 1.00 0.53 H new ATOM 0 HA HIS A 30 -6.464 -9.381 -7.763 1.00 0.59 H new ATOM 0 HB2 HIS A 30 -4.034 -7.976 -6.546 1.00 0.83 H new ATOM 0 HB3 HIS A 30 -4.250 -8.418 -8.228 1.00 0.83 H new ATOM 0 HD2 HIS A 30 -4.700 -6.369 -9.605 1.00 1.19 H new ATOM 0 HE1 HIS A 30 -7.388 -4.121 -7.179 1.00 1.62 H new ATOM 0 HE2 HIS A 30 -6.139 -4.265 -9.414 1.00 1.47 H new ATOM 440 N ARG A 31 -4.634 -11.194 -7.469 1.00 0.69 N ATOM 441 CA ARG A 31 -3.894 -12.463 -7.173 1.00 0.77 C ATOM 442 C ARG A 31 -2.397 -12.221 -7.396 1.00 0.93 C ATOM 443 O ARG A 31 -2.005 -11.249 -8.010 1.00 1.49 O ATOM 444 CB ARG A 31 -4.364 -13.575 -8.119 1.00 0.86 C ATOM 445 CG ARG A 31 -5.159 -12.966 -9.269 1.00 1.18 C ATOM 446 CD ARG A 31 -5.494 -14.047 -10.296 1.00 1.43 C ATOM 447 NE ARG A 31 -4.846 -13.718 -11.598 1.00 2.11 N ATOM 448 CZ ARG A 31 -4.936 -12.511 -12.085 1.00 2.78 C ATOM 449 NH1 ARG A 31 -5.897 -11.721 -11.695 1.00 3.13 N ATOM 450 NH2 ARG A 31 -4.066 -12.096 -12.966 1.00 3.97 N ATOM 0 H ARG A 31 -4.751 -10.990 -8.462 1.00 0.69 H new ATOM 0 HA ARG A 31 -4.083 -12.763 -6.142 1.00 0.77 H new ATOM 0 HB2 ARG A 31 -3.506 -14.123 -8.507 1.00 0.86 H new ATOM 0 HB3 ARG A 31 -4.981 -14.291 -7.576 1.00 0.86 H new ATOM 0 HG2 ARG A 31 -6.076 -12.514 -8.890 1.00 1.18 H new ATOM 0 HG3 ARG A 31 -4.583 -12.170 -9.740 1.00 1.18 H new ATOM 0 HD2 ARG A 31 -5.149 -15.019 -9.942 1.00 1.43 H new ATOM 0 HD3 ARG A 31 -6.574 -14.119 -10.424 1.00 1.43 H new ATOM 0 HE ARG A 31 -4.332 -14.437 -12.108 1.00 2.11 H new ATOM 0 HH11 ARG A 31 -6.578 -12.047 -11.009 1.00 3.13 H new ATOM 0 HH12 ARG A 31 -5.968 -10.777 -12.076 1.00 3.13 H new ATOM 0 HH21 ARG A 31 -3.316 -12.715 -13.273 1.00 3.97 H new ATOM 0 HH22 ARG A 31 -4.136 -11.152 -13.347 1.00 3.97 H new ATOM 464 N GLY A 32 -1.556 -13.099 -6.921 1.00 0.85 N ATOM 465 CA GLY A 32 -0.089 -12.913 -7.131 1.00 0.98 C ATOM 466 C GLY A 32 0.462 -11.865 -6.157 1.00 0.94 C ATOM 467 O GLY A 32 1.604 -11.460 -6.251 1.00 0.95 O ATOM 0 H GLY A 32 -1.818 -13.935 -6.398 1.00 0.85 H new ATOM 0 HA2 GLY A 32 0.429 -13.861 -6.986 1.00 0.98 H new ATOM 0 HA3 GLY A 32 0.101 -12.600 -8.158 1.00 0.98 H new ATOM 471 N LYS A 33 -0.331 -11.431 -5.217 1.00 0.96 N ATOM 472 CA LYS A 33 0.156 -10.421 -4.236 1.00 0.98 C ATOM 473 C LYS A 33 -0.370 -10.795 -2.850 1.00 0.83 C ATOM 474 O LYS A 33 -1.472 -11.282 -2.726 1.00 0.59 O ATOM 475 CB LYS A 33 -0.358 -9.034 -4.626 1.00 1.03 C ATOM 476 CG LYS A 33 0.725 -8.290 -5.413 1.00 1.29 C ATOM 477 CD LYS A 33 0.525 -6.782 -5.253 1.00 1.38 C ATOM 478 CE LYS A 33 -0.246 -6.239 -6.457 1.00 1.80 C ATOM 479 NZ LYS A 33 0.597 -5.244 -7.180 1.00 1.94 N ATOM 0 H LYS A 33 -1.297 -11.733 -5.086 1.00 0.96 H new ATOM 0 HA LYS A 33 1.246 -10.404 -4.229 1.00 0.98 H new ATOM 0 HB2 LYS A 33 -1.262 -9.126 -5.228 1.00 1.03 H new ATOM 0 HB3 LYS A 33 -0.626 -8.469 -3.733 1.00 1.03 H new ATOM 0 HG2 LYS A 33 1.713 -8.577 -5.053 1.00 1.29 H new ATOM 0 HG3 LYS A 33 0.677 -8.564 -6.467 1.00 1.29 H new ATOM 0 HD2 LYS A 33 -0.021 -6.572 -4.333 1.00 1.38 H new ATOM 0 HD3 LYS A 33 1.491 -6.283 -5.171 1.00 1.38 H new ATOM 0 HE2 LYS A 33 -0.518 -7.055 -7.126 1.00 1.80 H new ATOM 0 HE3 LYS A 33 -1.175 -5.773 -6.128 1.00 1.80 H new ATOM 0 HZ1 LYS A 33 0.073 -4.875 -7.999 1.00 1.94 H new ATOM 0 HZ2 LYS A 33 0.835 -4.460 -6.539 1.00 1.94 H new ATOM 0 HZ3 LYS A 33 1.472 -5.702 -7.507 1.00 1.94 H new ATOM 493 N PRO A 34 0.440 -10.562 -1.851 1.00 1.03 N ATOM 494 CA PRO A 34 0.091 -10.882 -0.454 1.00 0.98 C ATOM 495 C PRO A 34 -0.969 -9.920 0.082 1.00 0.96 C ATOM 496 O PRO A 34 -0.704 -8.765 0.346 1.00 1.30 O ATOM 497 CB PRO A 34 1.419 -10.732 0.293 1.00 1.30 C ATOM 498 CG PRO A 34 2.308 -9.820 -0.583 1.00 1.52 C ATOM 499 CD PRO A 34 1.767 -9.941 -2.019 1.00 1.38 C ATOM 0 HA PRO A 34 -0.341 -11.876 -0.340 1.00 0.98 H new ATOM 0 HB2 PRO A 34 1.263 -10.293 1.279 1.00 1.30 H new ATOM 0 HB3 PRO A 34 1.890 -11.703 0.447 1.00 1.30 H new ATOM 0 HG2 PRO A 34 2.266 -8.787 -0.237 1.00 1.52 H new ATOM 0 HG3 PRO A 34 3.352 -10.130 -0.533 1.00 1.52 H new ATOM 0 HD2 PRO A 34 1.693 -8.966 -2.501 1.00 1.38 H new ATOM 0 HD3 PRO A 34 2.419 -10.555 -2.640 1.00 1.38 H new ATOM 507 N PHE A 35 -2.170 -10.402 0.243 1.00 0.80 N ATOM 508 CA PHE A 35 -3.273 -9.549 0.760 1.00 0.93 C ATOM 509 C PHE A 35 -3.241 -9.550 2.292 1.00 0.90 C ATOM 510 O PHE A 35 -4.221 -9.849 2.944 1.00 1.90 O ATOM 511 CB PHE A 35 -4.604 -10.123 0.268 1.00 1.09 C ATOM 512 CG PHE A 35 -5.750 -9.312 0.818 1.00 1.73 C ATOM 513 CD1 PHE A 35 -5.730 -7.919 0.723 1.00 2.29 C ATOM 514 CD2 PHE A 35 -6.834 -9.957 1.420 1.00 2.40 C ATOM 515 CE1 PHE A 35 -6.794 -7.170 1.230 1.00 3.25 C ATOM 516 CE2 PHE A 35 -7.900 -9.208 1.929 1.00 3.36 C ATOM 517 CZ PHE A 35 -7.880 -7.813 1.834 1.00 3.71 C ATOM 0 H PHE A 35 -2.436 -11.364 0.035 1.00 0.80 H new ATOM 0 HA PHE A 35 -3.158 -8.525 0.403 1.00 0.93 H new ATOM 0 HB2 PHE A 35 -4.632 -10.115 -0.822 1.00 1.09 H new ATOM 0 HB3 PHE A 35 -4.700 -11.162 0.582 1.00 1.09 H new ATOM 0 HD1 PHE A 35 -4.892 -7.421 0.258 1.00 2.29 H new ATOM 0 HD2 PHE A 35 -6.849 -11.034 1.492 1.00 2.40 H new ATOM 0 HE1 PHE A 35 -6.779 -6.093 1.156 1.00 3.25 H new ATOM 0 HE2 PHE A 35 -8.737 -9.706 2.395 1.00 3.36 H new ATOM 0 HZ PHE A 35 -8.702 -7.233 2.226 1.00 3.71 H new ATOM 527 N THR A 36 -2.116 -9.220 2.869 1.00 0.80 N ATOM 528 CA THR A 36 -2.009 -9.202 4.356 1.00 0.87 C ATOM 529 C THR A 36 -2.844 -8.053 4.921 1.00 0.81 C ATOM 530 O THR A 36 -2.338 -6.979 5.181 1.00 0.89 O ATOM 531 CB THR A 36 -0.547 -8.995 4.753 1.00 1.08 C ATOM 532 OG1 THR A 36 0.152 -10.226 4.635 1.00 1.38 O ATOM 533 CG2 THR A 36 -0.476 -8.500 6.199 1.00 1.02 C ATOM 0 H THR A 36 -1.264 -8.961 2.372 1.00 0.80 H new ATOM 0 HA THR A 36 -2.375 -10.148 4.754 1.00 0.87 H new ATOM 0 HB THR A 36 -0.091 -8.255 4.096 1.00 1.08 H new ATOM 0 HG1 THR A 36 1.090 -10.095 4.887 1.00 1.38 H new ATOM 0 HG21 THR A 36 0.566 -8.352 6.482 1.00 1.02 H new ATOM 0 HG22 THR A 36 -1.013 -7.556 6.287 1.00 1.02 H new ATOM 0 HG23 THR A 36 -0.930 -9.239 6.859 1.00 1.02 H new ATOM 541 N LEU A 37 -4.115 -8.264 5.126 1.00 0.77 N ATOM 542 CA LEU A 37 -4.959 -7.174 5.688 1.00 0.77 C ATOM 543 C LEU A 37 -4.379 -6.756 7.038 1.00 0.75 C ATOM 544 O LEU A 37 -3.604 -7.478 7.635 1.00 1.04 O ATOM 545 CB LEU A 37 -6.391 -7.676 5.876 1.00 0.89 C ATOM 546 CG LEU A 37 -6.485 -8.482 7.172 1.00 1.25 C ATOM 547 CD1 LEU A 37 -7.113 -7.616 8.266 1.00 1.78 C ATOM 548 CD2 LEU A 37 -7.356 -9.719 6.939 1.00 1.67 C ATOM 0 H LEU A 37 -4.603 -9.138 4.930 1.00 0.77 H new ATOM 0 HA LEU A 37 -4.970 -6.323 5.007 1.00 0.77 H new ATOM 0 HB2 LEU A 37 -7.081 -6.833 5.909 1.00 0.89 H new ATOM 0 HB3 LEU A 37 -6.684 -8.295 5.028 1.00 0.89 H new ATOM 0 HG LEU A 37 -5.487 -8.792 7.482 1.00 1.25 H new ATOM 0 HD11 LEU A 37 -7.180 -8.190 9.190 1.00 1.78 H new ATOM 0 HD12 LEU A 37 -6.495 -6.733 8.431 1.00 1.78 H new ATOM 0 HD13 LEU A 37 -8.112 -7.307 7.957 1.00 1.78 H new ATOM 0 HD21 LEU A 37 -7.424 -10.295 7.862 1.00 1.67 H new ATOM 0 HD22 LEU A 37 -8.354 -9.408 6.631 1.00 1.67 H new ATOM 0 HD23 LEU A 37 -6.911 -10.336 6.158 1.00 1.67 H new ATOM 560 N GLU A 38 -4.728 -5.597 7.525 1.00 0.62 N ATOM 561 CA GLU A 38 -4.165 -5.161 8.832 1.00 0.63 C ATOM 562 C GLU A 38 -5.060 -4.106 9.484 1.00 0.57 C ATOM 563 O GLU A 38 -6.158 -3.832 9.043 1.00 0.71 O ATOM 564 CB GLU A 38 -2.775 -4.562 8.605 1.00 0.66 C ATOM 565 CG GLU A 38 -1.863 -5.612 7.969 1.00 0.86 C ATOM 566 CD GLU A 38 -0.422 -5.098 7.956 1.00 1.23 C ATOM 567 OE1 GLU A 38 -0.142 -4.161 8.686 1.00 1.51 O ATOM 568 OE2 GLU A 38 0.376 -5.650 7.216 1.00 1.62 O ATOM 0 H GLU A 38 -5.370 -4.941 7.081 1.00 0.62 H new ATOM 0 HA GLU A 38 -4.104 -6.027 9.491 1.00 0.63 H new ATOM 0 HB2 GLU A 38 -2.846 -3.687 7.959 1.00 0.66 H new ATOM 0 HB3 GLU A 38 -2.354 -4.225 9.552 1.00 0.66 H new ATOM 0 HG2 GLU A 38 -1.922 -6.546 8.528 1.00 0.86 H new ATOM 0 HG3 GLU A 38 -2.192 -5.827 6.953 1.00 0.86 H new ATOM 575 N ALA A 39 -4.572 -3.519 10.540 1.00 0.58 N ATOM 576 CA ALA A 39 -5.333 -2.472 11.277 1.00 0.58 C ATOM 577 C ALA A 39 -4.753 -2.394 12.687 1.00 0.55 C ATOM 578 O ALA A 39 -4.968 -3.264 13.507 1.00 0.74 O ATOM 579 CB ALA A 39 -6.815 -2.834 11.353 1.00 0.63 C ATOM 0 H ALA A 39 -3.654 -3.727 10.933 1.00 0.58 H new ATOM 0 HA ALA A 39 -5.248 -1.515 10.762 1.00 0.58 H new ATOM 0 HB1 ALA A 39 -7.352 -2.056 11.895 1.00 0.63 H new ATOM 0 HB2 ALA A 39 -7.221 -2.920 10.345 1.00 0.63 H new ATOM 0 HB3 ALA A 39 -6.931 -3.785 11.873 1.00 0.63 H new ATOM 585 N LEU A 40 -3.990 -1.380 12.962 1.00 0.52 N ATOM 586 CA LEU A 40 -3.357 -1.263 14.303 1.00 0.48 C ATOM 587 C LEU A 40 -4.129 -0.270 15.170 1.00 0.47 C ATOM 588 O LEU A 40 -5.053 0.375 14.720 1.00 0.60 O ATOM 589 CB LEU A 40 -1.932 -0.745 14.124 1.00 0.50 C ATOM 590 CG LEU A 40 -0.997 -1.872 13.675 1.00 0.55 C ATOM 591 CD1 LEU A 40 -1.793 -3.089 13.177 1.00 0.57 C ATOM 592 CD2 LEU A 40 -0.102 -1.361 12.545 1.00 0.66 C ATOM 0 H LEU A 40 -3.775 -0.622 12.314 1.00 0.52 H new ATOM 0 HA LEU A 40 -3.360 -2.240 14.787 1.00 0.48 H new ATOM 0 HB2 LEU A 40 -1.922 0.058 13.387 1.00 0.50 H new ATOM 0 HB3 LEU A 40 -1.574 -0.321 15.062 1.00 0.50 H new ATOM 0 HG LEU A 40 -0.394 -2.181 14.529 1.00 0.55 H new ATOM 0 HD11 LEU A 40 -1.102 -3.873 12.865 1.00 0.57 H new ATOM 0 HD12 LEU A 40 -2.427 -3.463 13.981 1.00 0.57 H new ATOM 0 HD13 LEU A 40 -2.415 -2.796 12.331 1.00 0.57 H new ATOM 0 HD21 LEU A 40 0.566 -2.159 12.221 1.00 0.66 H new ATOM 0 HD22 LEU A 40 -0.721 -1.043 11.706 1.00 0.66 H new ATOM 0 HD23 LEU A 40 0.488 -0.516 12.902 1.00 0.66 H new ATOM 604 N PHE A 41 -3.743 -0.129 16.411 1.00 0.47 N ATOM 605 CA PHE A 41 -4.440 0.842 17.299 1.00 0.48 C ATOM 606 C PHE A 41 -3.821 0.769 18.685 1.00 0.40 C ATOM 607 O PHE A 41 -3.421 -0.280 19.148 1.00 0.47 O ATOM 608 CB PHE A 41 -5.936 0.523 17.395 1.00 0.51 C ATOM 609 CG PHE A 41 -6.129 -0.958 17.568 1.00 0.47 C ATOM 610 CD1 PHE A 41 -6.224 -1.776 16.437 1.00 0.46 C ATOM 611 CD2 PHE A 41 -6.216 -1.519 18.854 1.00 0.53 C ATOM 612 CE1 PHE A 41 -6.404 -3.151 16.582 1.00 0.49 C ATOM 613 CE2 PHE A 41 -6.396 -2.895 18.995 1.00 0.58 C ATOM 614 CZ PHE A 41 -6.490 -3.712 17.857 1.00 0.55 C ATOM 0 H PHE A 41 -2.977 -0.644 16.845 1.00 0.47 H new ATOM 0 HA PHE A 41 -4.329 1.843 16.882 1.00 0.48 H new ATOM 0 HB2 PHE A 41 -6.378 1.058 18.236 1.00 0.51 H new ATOM 0 HB3 PHE A 41 -6.449 0.864 16.495 1.00 0.51 H new ATOM 0 HD1 PHE A 41 -6.158 -1.342 15.450 1.00 0.46 H new ATOM 0 HD2 PHE A 41 -6.144 -0.888 19.728 1.00 0.53 H new ATOM 0 HE1 PHE A 41 -6.477 -3.782 15.708 1.00 0.49 H new ATOM 0 HE2 PHE A 41 -6.463 -3.332 19.980 1.00 0.58 H new ATOM 0 HZ PHE A 41 -6.629 -4.777 17.969 1.00 0.55 H new ATOM 624 N ASP A 42 -3.751 1.875 19.354 1.00 0.52 N ATOM 625 CA ASP A 42 -3.172 1.876 20.715 1.00 0.47 C ATOM 626 C ASP A 42 -4.298 1.781 21.707 1.00 0.41 C ATOM 627 O ASP A 42 -5.149 2.643 21.793 1.00 0.43 O ATOM 628 CB ASP A 42 -2.388 3.162 20.961 1.00 0.58 C ATOM 629 CG ASP A 42 -1.437 2.959 22.142 1.00 2.06 C ATOM 630 OD1 ASP A 42 -1.883 2.446 23.155 1.00 2.68 O ATOM 631 OD2 ASP A 42 -0.279 3.322 22.015 1.00 3.15 O ATOM 0 H ASP A 42 -4.071 2.783 19.016 1.00 0.52 H new ATOM 0 HA ASP A 42 -2.492 1.031 20.823 1.00 0.47 H new ATOM 0 HB2 ASP A 42 -1.824 3.434 20.068 1.00 0.58 H new ATOM 0 HB3 ASP A 42 -3.073 3.984 21.168 1.00 0.58 H new ATOM 636 N ALA A 43 -4.303 0.736 22.458 1.00 0.41 N ATOM 637 CA ALA A 43 -5.355 0.553 23.462 1.00 0.40 C ATOM 638 C ALA A 43 -5.616 1.887 24.167 1.00 0.46 C ATOM 639 O ALA A 43 -4.729 2.465 24.761 1.00 0.51 O ATOM 640 CB ALA A 43 -4.839 -0.482 24.435 1.00 0.40 C ATOM 0 H ALA A 43 -3.610 -0.011 22.417 1.00 0.41 H new ATOM 0 HA ALA A 43 -6.295 0.224 23.019 1.00 0.40 H new ATOM 0 HB1 ALA A 43 -5.586 -0.658 25.209 1.00 0.40 H new ATOM 0 HB2 ALA A 43 -4.639 -1.413 23.904 1.00 0.40 H new ATOM 0 HB3 ALA A 43 -3.919 -0.122 24.895 1.00 0.40 H new ATOM 646 N ASN A 44 -6.823 2.389 24.085 1.00 0.50 N ATOM 647 CA ASN A 44 -7.142 3.695 24.738 1.00 0.61 C ATOM 648 C ASN A 44 -8.326 3.516 25.694 1.00 0.60 C ATOM 649 O ASN A 44 -8.773 4.451 26.329 1.00 0.92 O ATOM 650 CB ASN A 44 -7.502 4.730 23.668 1.00 0.75 C ATOM 651 CG ASN A 44 -7.504 4.067 22.290 1.00 1.01 C ATOM 652 OD1 ASN A 44 -6.670 4.366 21.458 1.00 2.01 O ATOM 653 ND2 ASN A 44 -8.414 3.176 22.010 1.00 1.06 N ATOM 0 H ASN A 44 -7.602 1.950 23.594 1.00 0.50 H new ATOM 0 HA ASN A 44 -6.273 4.040 25.298 1.00 0.61 H new ATOM 0 HB2 ASN A 44 -8.482 5.158 23.878 1.00 0.75 H new ATOM 0 HB3 ASN A 44 -6.785 5.551 23.686 1.00 0.75 H new ATOM 0 HD21 ASN A 44 -8.426 2.730 21.093 1.00 1.06 H new ATOM 0 HD22 ASN A 44 -9.114 2.925 22.708 1.00 1.06 H new ATOM 660 N GLN A 45 -8.827 2.318 25.810 1.00 0.48 N ATOM 661 CA GLN A 45 -9.968 2.061 26.735 1.00 0.54 C ATOM 662 C GLN A 45 -9.398 1.753 28.108 1.00 0.52 C ATOM 663 O GLN A 45 -8.431 2.343 28.526 1.00 0.50 O ATOM 664 CB GLN A 45 -10.766 0.861 26.222 1.00 0.59 C ATOM 665 CG GLN A 45 -9.878 -0.389 26.243 1.00 0.54 C ATOM 666 CD GLN A 45 -10.577 -1.544 25.513 1.00 0.60 C ATOM 667 OE1 GLN A 45 -10.072 -2.648 25.488 1.00 0.67 O ATOM 668 NE2 GLN A 45 -11.721 -1.342 24.913 1.00 0.68 N ATOM 0 H GLN A 45 -8.493 1.500 25.301 1.00 0.48 H new ATOM 0 HA GLN A 45 -10.626 2.928 26.790 1.00 0.54 H new ATOM 0 HB2 GLN A 45 -11.648 0.704 26.843 1.00 0.59 H new ATOM 0 HB3 GLN A 45 -11.120 1.052 25.209 1.00 0.59 H new ATOM 0 HG2 GLN A 45 -8.922 -0.173 25.767 1.00 0.54 H new ATOM 0 HG3 GLN A 45 -9.664 -0.676 27.273 1.00 0.54 H new ATOM 0 HE21 GLN A 45 -12.150 -0.417 24.931 1.00 0.68 H new ATOM 0 HE22 GLN A 45 -12.185 -2.110 24.427 1.00 0.68 H new ATOM 677 N ASN A 46 -9.972 0.829 28.812 1.00 0.59 N ATOM 678 CA ASN A 46 -9.419 0.482 30.143 1.00 0.62 C ATOM 679 C ASN A 46 -9.813 -0.962 30.511 1.00 0.70 C ATOM 680 O ASN A 46 -10.609 -1.171 31.404 1.00 0.81 O ATOM 681 CB ASN A 46 -9.973 1.419 31.202 1.00 0.66 C ATOM 682 CG ASN A 46 -10.702 2.597 30.551 1.00 1.28 C ATOM 683 OD1 ASN A 46 -10.095 3.420 29.899 1.00 1.55 O ATOM 684 ND2 ASN A 46 -11.991 2.720 30.716 1.00 2.07 N ATOM 0 H ASN A 46 -10.796 0.300 28.527 1.00 0.59 H new ATOM 0 HA ASN A 46 -8.334 0.576 30.101 1.00 0.62 H new ATOM 0 HB2 ASN A 46 -10.658 0.876 31.854 1.00 0.66 H new ATOM 0 HB3 ASN A 46 -9.161 1.788 31.829 1.00 0.66 H new ATOM 0 HD21 ASN A 46 -12.486 3.507 30.297 1.00 2.07 H new ATOM 0 HD22 ASN A 46 -12.503 2.029 31.264 1.00 2.07 H new ATOM 691 N THR A 47 -9.299 -1.968 29.836 1.00 0.66 N ATOM 692 CA THR A 47 -9.715 -3.354 30.190 1.00 0.74 C ATOM 693 C THR A 47 -8.578 -4.351 29.960 1.00 0.75 C ATOM 694 O THR A 47 -8.182 -4.603 28.840 1.00 0.76 O ATOM 695 CB THR A 47 -10.880 -3.745 29.291 1.00 0.77 C ATOM 696 OG1 THR A 47 -11.267 -5.085 29.562 1.00 0.82 O ATOM 697 CG2 THR A 47 -10.423 -3.620 27.840 1.00 0.74 C ATOM 0 H THR A 47 -8.626 -1.887 29.074 1.00 0.66 H new ATOM 0 HA THR A 47 -9.992 -3.377 31.244 1.00 0.74 H new ATOM 0 HB THR A 47 -11.734 -3.093 29.474 1.00 0.77 H new ATOM 0 HG1 THR A 47 -11.299 -5.592 28.724 1.00 0.82 H new ATOM 0 HG21 THR A 47 -11.242 -3.895 27.176 1.00 0.74 H new ATOM 0 HG22 THR A 47 -10.124 -2.591 27.640 1.00 0.74 H new ATOM 0 HG23 THR A 47 -9.576 -4.284 27.667 1.00 0.74 H new ATOM 705 N LYS A 48 -8.071 -4.952 31.000 1.00 0.82 N ATOM 706 CA LYS A 48 -6.991 -5.958 30.798 1.00 0.84 C ATOM 707 C LYS A 48 -7.557 -7.103 29.953 1.00 0.84 C ATOM 708 O LYS A 48 -6.828 -7.874 29.361 1.00 0.90 O ATOM 709 CB LYS A 48 -6.504 -6.516 32.126 1.00 0.93 C ATOM 710 CG LYS A 48 -7.642 -6.548 33.149 1.00 1.67 C ATOM 711 CD LYS A 48 -7.212 -7.371 34.362 1.00 2.01 C ATOM 712 CE LYS A 48 -6.003 -6.708 35.027 1.00 2.06 C ATOM 713 NZ LYS A 48 -4.915 -7.714 35.194 1.00 1.97 N ATOM 0 H LYS A 48 -8.352 -4.794 31.968 1.00 0.82 H new ATOM 0 HA LYS A 48 -6.148 -5.480 30.300 1.00 0.84 H new ATOM 0 HB2 LYS A 48 -6.110 -7.522 31.981 1.00 0.93 H new ATOM 0 HB3 LYS A 48 -5.685 -5.905 32.505 1.00 0.93 H new ATOM 0 HG2 LYS A 48 -7.898 -5.534 33.456 1.00 1.67 H new ATOM 0 HG3 LYS A 48 -8.536 -6.981 32.701 1.00 1.67 H new ATOM 0 HD2 LYS A 48 -8.035 -7.448 35.073 1.00 2.01 H new ATOM 0 HD3 LYS A 48 -6.960 -8.386 34.055 1.00 2.01 H new ATOM 0 HE2 LYS A 48 -5.652 -5.874 34.419 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -6.287 -6.299 35.997 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -4.093 -7.265 35.646 1.00 1.97 H new ATOM 0 HZ2 LYS A 48 -5.254 -8.496 35.791 1.00 1.97 H new ATOM 0 HZ3 LYS A 48 -4.639 -8.084 34.262 1.00 1.97 H new ATOM 727 N THR A 49 -8.855 -7.206 29.888 1.00 0.84 N ATOM 728 CA THR A 49 -9.483 -8.284 29.074 1.00 0.85 C ATOM 729 C THR A 49 -9.582 -7.820 27.616 1.00 0.64 C ATOM 730 O THR A 49 -8.936 -6.873 27.215 1.00 0.68 O ATOM 731 CB THR A 49 -10.886 -8.580 29.612 1.00 1.00 C ATOM 732 OG1 THR A 49 -11.682 -7.406 29.524 1.00 1.09 O ATOM 733 CG2 THR A 49 -10.792 -9.026 31.072 1.00 1.27 C ATOM 0 H THR A 49 -9.511 -6.587 30.366 1.00 0.84 H new ATOM 0 HA THR A 49 -8.876 -9.188 29.132 1.00 0.85 H new ATOM 0 HB THR A 49 -11.342 -9.374 29.021 1.00 1.00 H new ATOM 0 HG1 THR A 49 -11.249 -6.680 30.019 1.00 1.09 H new ATOM 0 HG21 THR A 49 -11.791 -9.236 31.453 1.00 1.27 H new ATOM 0 HG22 THR A 49 -10.181 -9.926 31.139 1.00 1.27 H new ATOM 0 HG23 THR A 49 -10.336 -8.234 31.666 1.00 1.27 H new ATOM 741 N ALA A 50 -10.383 -8.480 26.821 1.00 0.57 N ATOM 742 CA ALA A 50 -10.517 -8.078 25.388 1.00 0.47 C ATOM 743 C ALA A 50 -11.422 -9.072 24.664 1.00 0.44 C ATOM 744 O ALA A 50 -11.522 -10.216 25.045 1.00 0.44 O ATOM 745 CB ALA A 50 -9.141 -8.106 24.721 1.00 0.57 C ATOM 0 H ALA A 50 -10.950 -9.280 27.101 1.00 0.57 H new ATOM 0 HA ALA A 50 -10.941 -7.075 25.336 1.00 0.47 H new ATOM 0 HB1 ALA A 50 -9.237 -7.813 23.676 1.00 0.57 H new ATOM 0 HB2 ALA A 50 -8.475 -7.412 25.233 1.00 0.57 H new ATOM 0 HB3 ALA A 50 -8.729 -9.113 24.779 1.00 0.57 H new ATOM 751 N LYS A 51 -12.065 -8.658 23.609 1.00 0.47 N ATOM 752 CA LYS A 51 -12.927 -9.604 22.859 1.00 0.48 C ATOM 753 C LYS A 51 -12.471 -9.610 21.410 1.00 0.54 C ATOM 754 O LYS A 51 -11.404 -9.131 21.086 1.00 1.21 O ATOM 755 CB LYS A 51 -14.384 -9.156 22.934 1.00 0.59 C ATOM 756 CG LYS A 51 -14.796 -9.035 24.397 1.00 0.50 C ATOM 757 CD LYS A 51 -16.309 -9.227 24.522 1.00 1.00 C ATOM 758 CE LYS A 51 -16.990 -7.865 24.658 1.00 1.27 C ATOM 759 NZ LYS A 51 -18.433 -8.062 24.974 1.00 1.65 N ATOM 0 H LYS A 51 -12.030 -7.709 23.237 1.00 0.47 H new ATOM 0 HA LYS A 51 -12.848 -10.603 23.289 1.00 0.48 H new ATOM 0 HB2 LYS A 51 -14.509 -8.199 22.428 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -15.025 -9.874 22.421 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -14.274 -9.782 24.995 1.00 0.50 H new ATOM 0 HG3 LYS A 51 -14.510 -8.058 24.786 1.00 0.50 H new ATOM 0 HD2 LYS A 51 -16.693 -9.751 23.646 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -16.537 -9.847 25.389 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -16.510 -7.283 25.445 1.00 1.27 H new ATOM 0 HE3 LYS A 51 -16.883 -7.299 23.733 1.00 1.27 H new ATOM 0 HZ1 LYS A 51 -18.898 -7.136 25.067 1.00 1.65 H new ATOM 0 HZ2 LYS A 51 -18.886 -8.601 24.209 1.00 1.65 H new ATOM 0 HZ3 LYS A 51 -18.524 -8.586 25.868 1.00 1.65 H new ATOM 773 N ILE A 52 -13.259 -10.138 20.529 1.00 0.66 N ATOM 774 CA ILE A 52 -12.833 -10.154 19.105 1.00 0.60 C ATOM 775 C ILE A 52 -13.961 -10.671 18.214 1.00 0.60 C ATOM 776 O ILE A 52 -14.790 -11.458 18.625 1.00 0.72 O ATOM 777 CB ILE A 52 -11.609 -11.058 18.957 1.00 0.69 C ATOM 778 CG1 ILE A 52 -11.053 -10.936 17.537 1.00 0.68 C ATOM 779 CG2 ILE A 52 -12.007 -12.509 19.226 1.00 0.78 C ATOM 780 CD1 ILE A 52 -9.578 -11.344 17.530 1.00 0.90 C ATOM 0 H ILE A 52 -14.169 -10.555 20.724 1.00 0.66 H new ATOM 0 HA ILE A 52 -12.585 -9.138 18.798 1.00 0.60 H new ATOM 0 HB ILE A 52 -10.846 -10.754 19.674 1.00 0.69 H new ATOM 0 HG12 ILE A 52 -11.620 -11.571 16.857 1.00 0.68 H new ATOM 0 HG13 ILE A 52 -11.160 -9.912 17.180 1.00 0.68 H new ATOM 0 HG21 ILE A 52 -11.133 -13.152 19.120 1.00 0.78 H new ATOM 0 HG22 ILE A 52 -12.401 -12.596 20.239 1.00 0.78 H new ATOM 0 HG23 ILE A 52 -12.771 -12.815 18.512 1.00 0.78 H new ATOM 0 HD11 ILE A 52 -9.181 -11.257 16.518 1.00 0.90 H new ATOM 0 HD12 ILE A 52 -9.016 -10.690 18.197 1.00 0.90 H new ATOM 0 HD13 ILE A 52 -9.484 -12.376 17.869 1.00 0.90 H new ATOM 792 N GLU A 53 -13.984 -10.231 16.988 1.00 0.55 N ATOM 793 CA GLU A 53 -15.036 -10.684 16.040 1.00 0.58 C ATOM 794 C GLU A 53 -14.467 -10.624 14.623 1.00 0.57 C ATOM 795 O GLU A 53 -15.074 -10.086 13.719 1.00 0.85 O ATOM 796 CB GLU A 53 -16.257 -9.767 16.146 1.00 0.60 C ATOM 797 CG GLU A 53 -17.463 -10.577 16.626 1.00 0.87 C ATOM 798 CD GLU A 53 -18.294 -9.731 17.593 1.00 1.15 C ATOM 799 OE1 GLU A 53 -17.758 -8.768 18.116 1.00 1.77 O ATOM 800 OE2 GLU A 53 -19.452 -10.059 17.793 1.00 1.84 O ATOM 0 H GLU A 53 -13.311 -9.570 16.599 1.00 0.55 H new ATOM 0 HA GLU A 53 -15.341 -11.703 16.278 1.00 0.58 H new ATOM 0 HB2 GLU A 53 -16.054 -8.952 16.840 1.00 0.60 H new ATOM 0 HB3 GLU A 53 -16.471 -9.315 15.177 1.00 0.60 H new ATOM 0 HG2 GLU A 53 -18.073 -10.880 15.775 1.00 0.87 H new ATOM 0 HG3 GLU A 53 -17.128 -11.489 17.120 1.00 0.87 H new ATOM 807 N ILE A 54 -13.296 -11.168 14.429 1.00 0.50 N ATOM 808 CA ILE A 54 -12.672 -11.144 13.076 1.00 0.42 C ATOM 809 C ILE A 54 -13.246 -12.271 12.240 1.00 0.47 C ATOM 810 O ILE A 54 -13.633 -13.287 12.754 1.00 0.67 O ATOM 811 CB ILE A 54 -11.174 -11.376 13.192 1.00 0.47 C ATOM 812 CG1 ILE A 54 -10.467 -10.127 13.711 1.00 0.57 C ATOM 813 CG2 ILE A 54 -10.620 -11.745 11.817 1.00 0.53 C ATOM 814 CD1 ILE A 54 -11.448 -9.260 14.503 1.00 0.88 C ATOM 0 H ILE A 54 -12.744 -11.629 15.152 1.00 0.50 H new ATOM 0 HA ILE A 54 -12.872 -10.176 12.617 1.00 0.42 H new ATOM 0 HB ILE A 54 -10.997 -12.186 13.899 1.00 0.47 H new ATOM 0 HG12 ILE A 54 -9.627 -10.412 14.345 1.00 0.57 H new ATOM 0 HG13 ILE A 54 -10.058 -9.558 12.876 1.00 0.57 H new ATOM 0 HG21 ILE A 54 -9.546 -11.913 11.891 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -11.106 -12.653 11.461 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -10.813 -10.932 11.117 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -10.934 -8.371 14.869 1.00 0.88 H new ATOM 0 HD12 ILE A 54 -12.274 -8.962 13.857 1.00 0.88 H new ATOM 0 HD13 ILE A 54 -11.836 -9.829 15.348 1.00 0.88 H new ATOM 826 N LYS A 55 -13.281 -12.113 10.955 1.00 0.39 N ATOM 827 CA LYS A 55 -13.818 -13.205 10.099 1.00 0.46 C ATOM 828 C LYS A 55 -13.319 -13.043 8.667 1.00 0.45 C ATOM 829 O LYS A 55 -13.900 -12.335 7.869 1.00 0.60 O ATOM 830 CB LYS A 55 -15.338 -13.161 10.080 1.00 0.60 C ATOM 831 CG LYS A 55 -15.912 -13.921 11.283 1.00 0.59 C ATOM 832 CD LYS A 55 -17.017 -13.087 11.943 1.00 0.73 C ATOM 833 CE LYS A 55 -16.526 -11.655 12.197 1.00 0.60 C ATOM 834 NZ LYS A 55 -17.260 -11.083 13.361 1.00 0.96 N ATOM 0 H LYS A 55 -12.964 -11.281 10.457 1.00 0.39 H new ATOM 0 HA LYS A 55 -13.478 -14.155 10.510 1.00 0.46 H new ATOM 0 HB2 LYS A 55 -15.678 -12.126 10.100 1.00 0.60 H new ATOM 0 HB3 LYS A 55 -15.709 -13.600 9.154 1.00 0.60 H new ATOM 0 HG2 LYS A 55 -16.312 -14.882 10.961 1.00 0.59 H new ATOM 0 HG3 LYS A 55 -15.122 -14.130 12.004 1.00 0.59 H new ATOM 0 HD2 LYS A 55 -17.899 -13.068 11.303 1.00 0.73 H new ATOM 0 HD3 LYS A 55 -17.317 -13.548 12.884 1.00 0.73 H new ATOM 0 HE2 LYS A 55 -15.454 -11.655 12.393 1.00 0.60 H new ATOM 0 HE3 LYS A 55 -16.688 -11.040 11.312 1.00 0.60 H new ATOM 0 HZ1 LYS A 55 -16.778 -10.221 13.686 1.00 0.96 H new ATOM 0 HZ2 LYS A 55 -18.233 -10.850 13.077 1.00 0.96 H new ATOM 0 HZ3 LYS A 55 -17.282 -11.779 14.134 1.00 0.96 H new ATOM 848 N ALA A 56 -12.264 -13.714 8.332 1.00 0.50 N ATOM 849 CA ALA A 56 -11.734 -13.632 6.942 1.00 0.58 C ATOM 850 C ALA A 56 -11.951 -14.989 6.269 1.00 0.58 C ATOM 851 O ALA A 56 -11.591 -16.017 6.808 1.00 0.67 O ATOM 852 CB ALA A 56 -10.240 -13.302 6.975 1.00 0.77 C ATOM 0 H ALA A 56 -11.738 -14.321 8.961 1.00 0.50 H new ATOM 0 HA ALA A 56 -12.250 -12.849 6.387 1.00 0.58 H new ATOM 0 HB1 ALA A 56 -9.858 -13.243 5.956 1.00 0.77 H new ATOM 0 HB2 ALA A 56 -10.090 -12.345 7.475 1.00 0.77 H new ATOM 0 HB3 ALA A 56 -9.707 -14.082 7.518 1.00 0.77 H new ATOM 858 N SER A 57 -12.552 -15.015 5.111 1.00 0.65 N ATOM 859 CA SER A 57 -12.795 -16.327 4.444 1.00 0.78 C ATOM 860 C SER A 57 -12.063 -16.379 3.105 1.00 0.93 C ATOM 861 O SER A 57 -12.274 -15.555 2.238 1.00 1.03 O ATOM 862 CB SER A 57 -14.294 -16.507 4.207 1.00 0.86 C ATOM 863 OG SER A 57 -14.557 -16.472 2.811 1.00 1.34 O ATOM 0 H SER A 57 -12.882 -14.195 4.602 1.00 0.65 H new ATOM 0 HA SER A 57 -12.423 -17.126 5.086 1.00 0.78 H new ATOM 0 HB2 SER A 57 -14.629 -17.455 4.628 1.00 0.86 H new ATOM 0 HB3 SER A 57 -14.851 -15.719 4.713 1.00 0.86 H new ATOM 0 HG SER A 57 -15.518 -16.589 2.656 1.00 1.34 H new ATOM 869 N LEU A 58 -11.210 -17.349 2.925 1.00 0.99 N ATOM 870 CA LEU A 58 -10.480 -17.460 1.649 1.00 1.19 C ATOM 871 C LEU A 58 -10.724 -18.854 1.070 1.00 1.38 C ATOM 872 O LEU A 58 -10.931 -19.807 1.795 1.00 1.54 O ATOM 873 CB LEU A 58 -8.986 -17.254 1.909 1.00 1.03 C ATOM 874 CG LEU A 58 -8.273 -16.975 0.581 1.00 1.64 C ATOM 875 CD1 LEU A 58 -8.120 -18.283 -0.192 1.00 2.60 C ATOM 876 CD2 LEU A 58 -9.089 -15.987 -0.260 1.00 2.13 C ATOM 0 H LEU A 58 -10.992 -18.068 3.614 1.00 0.99 H new ATOM 0 HA LEU A 58 -10.826 -16.705 0.943 1.00 1.19 H new ATOM 0 HB2 LEU A 58 -8.836 -16.422 2.597 1.00 1.03 H new ATOM 0 HB3 LEU A 58 -8.562 -18.139 2.383 1.00 1.03 H new ATOM 0 HG LEU A 58 -7.293 -16.545 0.787 1.00 1.64 H new ATOM 0 HD11 LEU A 58 -7.613 -18.090 -1.138 1.00 2.60 H new ATOM 0 HD12 LEU A 58 -7.533 -18.987 0.397 1.00 2.60 H new ATOM 0 HD13 LEU A 58 -9.105 -18.707 -0.388 1.00 2.60 H new ATOM 0 HD21 LEU A 58 -8.572 -15.797 -1.201 1.00 2.13 H new ATOM 0 HD22 LEU A 58 -10.073 -16.410 -0.465 1.00 2.13 H new ATOM 0 HD23 LEU A 58 -9.203 -15.051 0.287 1.00 2.13 H new ATOM 888 N ASP A 59 -10.711 -18.987 -0.226 1.00 1.61 N ATOM 889 CA ASP A 59 -10.950 -20.325 -0.830 1.00 1.80 C ATOM 890 C ASP A 59 -10.086 -21.358 -0.108 1.00 1.55 C ATOM 891 O ASP A 59 -10.584 -22.245 0.557 1.00 2.39 O ATOM 892 CB ASP A 59 -10.582 -20.295 -2.316 1.00 2.09 C ATOM 893 CG ASP A 59 -10.926 -21.642 -2.952 1.00 2.45 C ATOM 894 OD1 ASP A 59 -10.840 -22.641 -2.258 1.00 2.72 O ATOM 895 OD2 ASP A 59 -11.268 -21.652 -4.123 1.00 2.73 O ATOM 0 H ASP A 59 -10.546 -18.231 -0.890 1.00 1.61 H new ATOM 0 HA ASP A 59 -12.003 -20.590 -0.730 1.00 1.80 H new ATOM 0 HB2 ASP A 59 -11.123 -19.494 -2.820 1.00 2.09 H new ATOM 0 HB3 ASP A 59 -9.519 -20.085 -2.434 1.00 2.09 H new ATOM 900 N GLY A 60 -8.794 -21.249 -0.231 1.00 1.14 N ATOM 901 CA GLY A 60 -7.897 -22.223 0.448 1.00 1.19 C ATOM 902 C GLY A 60 -7.416 -21.648 1.785 1.00 1.08 C ATOM 903 O GLY A 60 -6.442 -22.107 2.347 1.00 1.33 O ATOM 0 H GLY A 60 -8.320 -20.527 -0.773 1.00 1.14 H new ATOM 0 HA2 GLY A 60 -8.426 -23.161 0.615 1.00 1.19 H new ATOM 0 HA3 GLY A 60 -7.042 -22.448 -0.189 1.00 1.19 H new ATOM 907 N LEU A 61 -8.089 -20.655 2.307 1.00 0.84 N ATOM 908 CA LEU A 61 -7.657 -20.073 3.609 1.00 0.80 C ATOM 909 C LEU A 61 -8.878 -19.500 4.317 1.00 0.72 C ATOM 910 O LEU A 61 -9.103 -18.308 4.323 1.00 0.89 O ATOM 911 CB LEU A 61 -6.644 -18.958 3.366 1.00 0.99 C ATOM 912 CG LEU A 61 -5.344 -19.272 4.111 1.00 1.24 C ATOM 913 CD1 LEU A 61 -5.628 -19.399 5.609 1.00 1.83 C ATOM 914 CD2 LEU A 61 -4.763 -20.590 3.592 1.00 1.89 C ATOM 0 H LEU A 61 -8.914 -20.225 1.889 1.00 0.84 H new ATOM 0 HA LEU A 61 -7.195 -20.847 4.223 1.00 0.80 H new ATOM 0 HB2 LEU A 61 -6.448 -18.858 2.298 1.00 0.99 H new ATOM 0 HB3 LEU A 61 -7.049 -18.005 3.707 1.00 0.99 H new ATOM 0 HG LEU A 61 -4.629 -18.466 3.944 1.00 1.24 H new ATOM 0 HD11 LEU A 61 -4.701 -19.623 6.137 1.00 1.83 H new ATOM 0 HD12 LEU A 61 -6.041 -18.462 5.982 1.00 1.83 H new ATOM 0 HD13 LEU A 61 -6.344 -20.203 5.777 1.00 1.83 H new ATOM 0 HD21 LEU A 61 -3.837 -20.814 4.122 1.00 1.89 H new ATOM 0 HD22 LEU A 61 -5.480 -21.394 3.758 1.00 1.89 H new ATOM 0 HD23 LEU A 61 -4.558 -20.502 2.525 1.00 1.89 H new ATOM 926 N GLU A 62 -9.675 -20.344 4.898 1.00 0.81 N ATOM 927 CA GLU A 62 -10.899 -19.862 5.591 1.00 0.82 C ATOM 928 C GLU A 62 -10.548 -19.249 6.947 1.00 0.69 C ATOM 929 O GLU A 62 -10.867 -19.808 7.977 1.00 0.75 O ATOM 930 CB GLU A 62 -11.852 -21.041 5.807 1.00 1.12 C ATOM 931 CG GLU A 62 -12.655 -21.289 4.528 1.00 1.38 C ATOM 932 CD GLU A 62 -14.001 -21.922 4.885 1.00 2.02 C ATOM 933 OE1 GLU A 62 -13.999 -22.899 5.615 1.00 2.66 O ATOM 934 OE2 GLU A 62 -15.011 -21.419 4.421 1.00 2.32 O ATOM 0 H GLU A 62 -9.532 -21.354 4.924 1.00 0.81 H new ATOM 0 HA GLU A 62 -11.373 -19.099 4.973 1.00 0.82 H new ATOM 0 HB2 GLU A 62 -11.288 -21.935 6.074 1.00 1.12 H new ATOM 0 HB3 GLU A 62 -12.526 -20.830 6.637 1.00 1.12 H new ATOM 0 HG2 GLU A 62 -12.812 -20.350 3.997 1.00 1.38 H new ATOM 0 HG3 GLU A 62 -12.099 -21.945 3.858 1.00 1.38 H new ATOM 941 N ILE A 63 -9.927 -18.093 6.979 1.00 0.64 N ATOM 942 CA ILE A 63 -9.631 -17.495 8.304 1.00 0.60 C ATOM 943 C ILE A 63 -10.954 -17.486 9.068 1.00 0.60 C ATOM 944 O ILE A 63 -12.010 -17.604 8.480 1.00 1.19 O ATOM 945 CB ILE A 63 -9.109 -16.053 8.179 1.00 0.66 C ATOM 946 CG1 ILE A 63 -8.016 -15.942 7.094 1.00 0.57 C ATOM 947 CG2 ILE A 63 -8.523 -15.625 9.529 1.00 1.09 C ATOM 948 CD1 ILE A 63 -7.299 -14.580 7.240 1.00 0.60 C ATOM 0 H ILE A 63 -9.623 -17.557 6.166 1.00 0.64 H new ATOM 0 HA ILE A 63 -8.856 -18.071 8.810 1.00 0.60 H new ATOM 0 HB ILE A 63 -9.938 -15.406 7.893 1.00 0.66 H new ATOM 0 HG12 ILE A 63 -7.300 -16.757 7.196 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -8.460 -16.030 6.102 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.149 -14.604 9.456 1.00 1.09 H new ATOM 0 HG22 ILE A 63 -9.298 -15.673 10.294 1.00 1.09 H new ATOM 0 HG23 ILE A 63 -7.705 -16.293 9.799 1.00 1.09 H new ATOM 0 HD11 ILE A 63 -6.525 -14.493 6.478 1.00 0.60 H new ATOM 0 HD12 ILE A 63 -8.022 -13.773 7.117 1.00 0.60 H new ATOM 0 HD13 ILE A 63 -6.844 -14.512 8.228 1.00 0.60 H new ATOM 960 N ASP A 64 -10.926 -17.360 10.357 1.00 0.97 N ATOM 961 CA ASP A 64 -12.209 -17.362 11.111 1.00 0.89 C ATOM 962 C ASP A 64 -11.943 -17.057 12.578 1.00 0.91 C ATOM 963 O ASP A 64 -10.904 -17.384 13.117 1.00 1.10 O ATOM 964 CB ASP A 64 -12.870 -18.737 10.991 1.00 1.04 C ATOM 965 CG ASP A 64 -14.235 -18.590 10.317 1.00 1.49 C ATOM 966 OD1 ASP A 64 -15.123 -18.031 10.939 1.00 1.74 O ATOM 967 OD2 ASP A 64 -14.370 -19.041 9.191 1.00 2.21 O ATOM 0 H ASP A 64 -10.082 -17.256 10.921 1.00 0.97 H new ATOM 0 HA ASP A 64 -12.870 -16.601 10.697 1.00 0.89 H new ATOM 0 HB2 ASP A 64 -12.236 -19.407 10.410 1.00 1.04 H new ATOM 0 HB3 ASP A 64 -12.986 -19.184 11.978 1.00 1.04 H new ATOM 972 N VAL A 65 -12.877 -16.429 13.227 1.00 0.79 N ATOM 973 CA VAL A 65 -12.687 -16.092 14.657 1.00 0.88 C ATOM 974 C VAL A 65 -14.017 -16.240 15.396 1.00 0.97 C ATOM 975 O VAL A 65 -14.598 -15.273 15.845 1.00 1.04 O ATOM 976 CB VAL A 65 -12.189 -14.659 14.759 1.00 0.78 C ATOM 977 CG1 VAL A 65 -11.829 -14.355 16.212 1.00 0.94 C ATOM 978 CG2 VAL A 65 -10.946 -14.497 13.878 1.00 0.71 C ATOM 0 H VAL A 65 -13.767 -16.134 12.826 1.00 0.79 H new ATOM 0 HA VAL A 65 -11.957 -16.764 15.108 1.00 0.88 H new ATOM 0 HB VAL A 65 -12.966 -13.971 14.425 1.00 0.78 H new ATOM 0 HG11 VAL A 65 -11.471 -13.328 16.291 1.00 0.94 H new ATOM 0 HG12 VAL A 65 -12.711 -14.481 16.839 1.00 0.94 H new ATOM 0 HG13 VAL A 65 -11.047 -15.038 16.544 1.00 0.94 H new ATOM 0 HG21 VAL A 65 -10.583 -13.471 13.946 1.00 0.71 H new ATOM 0 HG22 VAL A 65 -10.168 -15.181 14.217 1.00 0.71 H new ATOM 0 HG23 VAL A 65 -11.202 -14.723 12.843 1.00 0.71 H new ATOM 988 N PRO A 66 -14.447 -17.465 15.487 1.00 1.01 N ATOM 989 CA PRO A 66 -15.708 -17.835 16.155 1.00 1.14 C ATOM 990 C PRO A 66 -15.523 -17.868 17.673 1.00 1.21 C ATOM 991 O PRO A 66 -16.430 -18.189 18.415 1.00 1.97 O ATOM 992 CB PRO A 66 -15.991 -19.239 15.620 1.00 1.19 C ATOM 993 CG PRO A 66 -14.632 -19.809 15.142 1.00 1.11 C ATOM 994 CD PRO A 66 -13.701 -18.602 14.922 1.00 0.99 C ATOM 0 HA PRO A 66 -16.517 -17.131 15.961 1.00 1.14 H new ATOM 0 HB2 PRO A 66 -16.425 -19.870 16.396 1.00 1.19 H new ATOM 0 HB3 PRO A 66 -16.708 -19.204 14.799 1.00 1.19 H new ATOM 0 HG2 PRO A 66 -14.215 -20.490 15.884 1.00 1.11 H new ATOM 0 HG3 PRO A 66 -14.753 -20.378 14.220 1.00 1.11 H new ATOM 0 HD2 PRO A 66 -12.744 -18.740 15.425 1.00 0.99 H new ATOM 0 HD3 PRO A 66 -13.486 -18.452 13.864 1.00 0.99 H new ATOM 1002 N GLY A 67 -14.353 -17.544 18.132 1.00 1.17 N ATOM 1003 CA GLY A 67 -14.090 -17.558 19.600 1.00 1.18 C ATOM 1004 C GLY A 67 -12.848 -18.407 19.882 1.00 1.02 C ATOM 1005 O GLY A 67 -12.728 -19.025 20.922 1.00 1.45 O ATOM 0 H GLY A 67 -13.559 -17.268 17.554 1.00 1.17 H new ATOM 0 HA2 GLY A 67 -13.940 -16.542 19.964 1.00 1.18 H new ATOM 0 HA3 GLY A 67 -14.951 -17.964 20.132 1.00 1.18 H new ATOM 1009 N ILE A 68 -11.924 -18.441 18.961 1.00 1.05 N ATOM 1010 CA ILE A 68 -10.691 -19.245 19.163 1.00 0.90 C ATOM 1011 C ILE A 68 -10.057 -18.888 20.508 1.00 0.93 C ATOM 1012 O ILE A 68 -9.851 -19.737 21.353 1.00 1.60 O ATOM 1013 CB ILE A 68 -9.710 -18.930 18.036 1.00 0.95 C ATOM 1014 CG1 ILE A 68 -10.336 -19.314 16.693 1.00 0.97 C ATOM 1015 CG2 ILE A 68 -8.424 -19.725 18.245 1.00 1.20 C ATOM 1016 CD1 ILE A 68 -9.487 -20.399 16.028 1.00 1.84 C ATOM 0 H ILE A 68 -11.973 -17.942 18.073 1.00 1.05 H new ATOM 0 HA ILE A 68 -10.937 -20.307 19.157 1.00 0.90 H new ATOM 0 HB ILE A 68 -9.482 -17.864 18.039 1.00 0.95 H new ATOM 0 HG12 ILE A 68 -11.354 -19.674 16.843 1.00 0.97 H new ATOM 0 HG13 ILE A 68 -10.400 -18.439 16.046 1.00 0.97 H new ATOM 0 HG21 ILE A 68 -7.723 -19.501 17.441 1.00 1.20 H new ATOM 0 HG22 ILE A 68 -7.979 -19.452 19.202 1.00 1.20 H new ATOM 0 HG23 ILE A 68 -8.651 -20.791 18.242 1.00 1.20 H new ATOM 0 HD11 ILE A 68 -9.932 -20.674 15.071 1.00 1.84 H new ATOM 0 HD12 ILE A 68 -8.478 -20.022 15.864 1.00 1.84 H new ATOM 0 HD13 ILE A 68 -9.446 -21.276 16.674 1.00 1.84 H new ATOM 1028 N ASP A 69 -9.744 -17.638 20.713 1.00 0.97 N ATOM 1029 CA ASP A 69 -9.121 -17.228 22.003 1.00 0.93 C ATOM 1030 C ASP A 69 -10.193 -17.170 23.090 1.00 1.01 C ATOM 1031 O ASP A 69 -11.270 -17.713 22.948 1.00 1.84 O ATOM 1032 CB ASP A 69 -8.490 -15.842 21.847 1.00 1.06 C ATOM 1033 CG ASP A 69 -9.589 -14.814 21.570 1.00 2.13 C ATOM 1034 OD1 ASP A 69 -10.497 -14.714 22.379 1.00 2.69 O ATOM 1035 OD2 ASP A 69 -9.507 -14.146 20.553 1.00 2.83 O ATOM 0 H ASP A 69 -9.893 -16.883 20.043 1.00 0.97 H new ATOM 0 HA ASP A 69 -8.355 -17.952 22.280 1.00 0.93 H new ATOM 0 HB2 ASP A 69 -7.945 -15.574 22.752 1.00 1.06 H new ATOM 0 HB3 ASP A 69 -7.768 -15.848 21.030 1.00 1.06 H new ATOM 1040 N THR A 70 -9.904 -16.506 24.173 1.00 1.23 N ATOM 1041 CA THR A 70 -10.900 -16.397 25.273 1.00 1.44 C ATOM 1042 C THR A 70 -11.189 -14.918 25.540 1.00 1.12 C ATOM 1043 O THR A 70 -12.069 -14.572 26.303 1.00 1.31 O ATOM 1044 CB THR A 70 -10.335 -17.047 26.539 1.00 2.01 C ATOM 1045 OG1 THR A 70 -9.006 -16.590 26.752 1.00 2.99 O ATOM 1046 CG2 THR A 70 -10.334 -18.568 26.372 1.00 3.07 C ATOM 0 H THR A 70 -9.017 -16.032 24.344 1.00 1.23 H new ATOM 0 HA THR A 70 -11.821 -16.905 24.989 1.00 1.44 H new ATOM 0 HB THR A 70 -10.952 -16.777 27.396 1.00 2.01 H new ATOM 0 HG1 THR A 70 -8.644 -17.004 27.563 1.00 2.99 H new ATOM 0 HG21 THR A 70 -9.932 -19.033 27.272 1.00 3.07 H new ATOM 0 HG22 THR A 70 -11.354 -18.917 26.208 1.00 3.07 H new ATOM 0 HG23 THR A 70 -9.716 -18.840 25.517 1.00 3.07 H new ATOM 1054 N ASN A 71 -10.451 -14.042 24.912 1.00 0.86 N ATOM 1055 CA ASN A 71 -10.671 -12.585 25.120 1.00 0.62 C ATOM 1056 C ASN A 71 -9.613 -11.804 24.363 1.00 0.60 C ATOM 1057 O ASN A 71 -8.805 -11.108 24.943 1.00 0.60 O ATOM 1058 CB ASN A 71 -10.584 -12.253 26.611 1.00 0.76 C ATOM 1059 CG ASN A 71 -11.993 -12.157 27.196 1.00 0.89 C ATOM 1060 OD1 ASN A 71 -12.916 -11.743 26.523 1.00 1.58 O ATOM 1061 ND2 ASN A 71 -12.200 -12.522 28.432 1.00 1.43 N ATOM 0 H ASN A 71 -9.702 -14.276 24.261 1.00 0.86 H new ATOM 0 HA ASN A 71 -11.660 -12.314 24.752 1.00 0.62 H new ATOM 0 HB2 ASN A 71 -10.014 -13.022 27.133 1.00 0.76 H new ATOM 0 HB3 ASN A 71 -10.054 -11.311 26.754 1.00 0.76 H new ATOM 0 HD21 ASN A 71 -13.136 -12.460 28.832 1.00 1.43 H new ATOM 0 HD22 ASN A 71 -11.426 -12.870 28.998 1.00 1.43 H new ATOM 1068 N ALA A 72 -9.636 -11.898 23.064 1.00 0.60 N ATOM 1069 CA ALA A 72 -8.658 -11.143 22.243 1.00 0.60 C ATOM 1070 C ALA A 72 -7.287 -11.171 22.911 1.00 0.61 C ATOM 1071 O ALA A 72 -6.494 -10.262 22.781 1.00 0.67 O ATOM 1072 CB ALA A 72 -9.151 -9.716 22.156 1.00 0.59 C ATOM 0 H ALA A 72 -10.295 -12.469 22.535 1.00 0.60 H new ATOM 0 HA ALA A 72 -8.566 -11.585 21.251 1.00 0.60 H new ATOM 0 HB1 ALA A 72 -8.456 -9.127 21.558 1.00 0.59 H new ATOM 0 HB2 ALA A 72 -10.136 -9.699 21.689 1.00 0.59 H new ATOM 0 HB3 ALA A 72 -9.217 -9.292 23.158 1.00 0.59 H new ATOM 1078 N CYS A 73 -7.017 -12.205 23.634 1.00 0.60 N ATOM 1079 CA CYS A 73 -5.705 -12.319 24.326 1.00 0.62 C ATOM 1080 C CYS A 73 -4.794 -13.230 23.502 1.00 0.60 C ATOM 1081 O CYS A 73 -3.683 -12.878 23.161 1.00 0.73 O ATOM 1082 CB CYS A 73 -5.930 -12.938 25.708 1.00 0.75 C ATOM 1083 SG CYS A 73 -4.354 -13.102 26.594 1.00 1.32 S ATOM 0 H CYS A 73 -7.652 -12.990 23.782 1.00 0.60 H new ATOM 0 HA CYS A 73 -5.244 -11.337 24.434 1.00 0.62 H new ATOM 0 HB2 CYS A 73 -6.615 -12.316 26.284 1.00 0.75 H new ATOM 0 HB3 CYS A 73 -6.399 -13.916 25.603 1.00 0.75 H new ATOM 1088 N HIS A 74 -5.269 -14.401 23.175 1.00 0.95 N ATOM 1089 CA HIS A 74 -4.452 -15.348 22.367 1.00 0.96 C ATOM 1090 C HIS A 74 -4.134 -14.718 21.007 1.00 0.99 C ATOM 1091 O HIS A 74 -3.298 -15.201 20.269 1.00 1.10 O ATOM 1092 CB HIS A 74 -5.250 -16.639 22.157 1.00 1.16 C ATOM 1093 CG HIS A 74 -4.304 -17.786 21.935 1.00 1.35 C ATOM 1094 ND1 HIS A 74 -4.604 -18.835 21.080 1.00 1.71 N ATOM 1095 CD2 HIS A 74 -3.062 -18.064 22.449 1.00 1.87 C ATOM 1096 CE1 HIS A 74 -3.563 -19.687 21.104 1.00 2.15 C ATOM 1097 NE2 HIS A 74 -2.596 -19.265 21.923 1.00 2.21 N ATOM 0 H HIS A 74 -6.194 -14.744 23.435 1.00 0.95 H new ATOM 0 HA HIS A 74 -3.520 -15.569 22.888 1.00 0.96 H new ATOM 0 HB2 HIS A 74 -5.878 -16.836 23.026 1.00 1.16 H new ATOM 0 HB3 HIS A 74 -5.915 -16.532 21.300 1.00 1.16 H new ATOM 0 HD2 HIS A 74 -2.528 -17.445 23.154 1.00 1.87 H new ATOM 0 HE1 HIS A 74 -3.515 -20.601 20.531 1.00 2.15 H new ATOM 0 HE2 HIS A 74 -1.707 -19.724 22.120 1.00 2.21 H new ATOM 1105 N PHE A 75 -4.802 -13.647 20.667 1.00 1.04 N ATOM 1106 CA PHE A 75 -4.550 -12.990 19.350 1.00 1.17 C ATOM 1107 C PHE A 75 -3.843 -11.655 19.550 1.00 1.11 C ATOM 1108 O PHE A 75 -3.245 -11.121 18.637 1.00 1.31 O ATOM 1109 CB PHE A 75 -5.882 -12.693 18.659 1.00 1.37 C ATOM 1110 CG PHE A 75 -6.455 -13.946 18.061 1.00 1.24 C ATOM 1111 CD1 PHE A 75 -6.132 -14.308 16.749 1.00 1.21 C ATOM 1112 CD2 PHE A 75 -7.322 -14.736 18.817 1.00 1.27 C ATOM 1113 CE1 PHE A 75 -6.676 -15.468 16.191 1.00 1.17 C ATOM 1114 CE2 PHE A 75 -7.866 -15.899 18.263 1.00 1.27 C ATOM 1115 CZ PHE A 75 -7.544 -16.266 16.948 1.00 1.20 C ATOM 0 H PHE A 75 -5.512 -13.198 21.245 1.00 1.04 H new ATOM 0 HA PHE A 75 -3.936 -13.662 18.751 1.00 1.17 H new ATOM 0 HB2 PHE A 75 -6.585 -12.271 19.377 1.00 1.37 H new ATOM 0 HB3 PHE A 75 -5.735 -11.945 17.880 1.00 1.37 H new ATOM 0 HD1 PHE A 75 -5.463 -13.691 16.168 1.00 1.21 H new ATOM 0 HD2 PHE A 75 -7.572 -14.450 19.828 1.00 1.27 H new ATOM 0 HE1 PHE A 75 -6.428 -15.749 15.178 1.00 1.17 H new ATOM 0 HE2 PHE A 75 -8.534 -16.514 18.847 1.00 1.27 H new ATOM 0 HZ PHE A 75 -7.965 -17.163 16.519 1.00 1.20 H new ATOM 1125 N VAL A 76 -3.952 -11.074 20.710 1.00 0.94 N ATOM 1126 CA VAL A 76 -3.331 -9.740 20.904 1.00 0.90 C ATOM 1127 C VAL A 76 -3.025 -9.487 22.375 1.00 0.74 C ATOM 1128 O VAL A 76 -3.317 -10.299 23.226 1.00 0.92 O ATOM 1129 CB VAL A 76 -4.338 -8.711 20.386 1.00 0.98 C ATOM 1130 CG1 VAL A 76 -5.640 -9.435 20.044 1.00 1.65 C ATOM 1131 CG2 VAL A 76 -4.633 -7.620 21.438 1.00 0.66 C ATOM 0 H VAL A 76 -4.437 -11.459 21.520 1.00 0.94 H new ATOM 0 HA VAL A 76 -2.384 -9.675 20.368 1.00 0.90 H new ATOM 0 HB VAL A 76 -3.913 -8.226 19.507 1.00 0.98 H new ATOM 0 HG11 VAL A 76 -6.370 -8.715 19.673 1.00 1.65 H new ATOM 0 HG12 VAL A 76 -5.448 -10.186 19.277 1.00 1.65 H new ATOM 0 HG13 VAL A 76 -6.032 -9.921 20.938 1.00 1.65 H new ATOM 0 HG21 VAL A 76 -5.352 -6.908 21.032 1.00 0.66 H new ATOM 0 HG22 VAL A 76 -5.046 -8.082 22.335 1.00 0.66 H new ATOM 0 HG23 VAL A 76 -3.710 -7.099 21.690 1.00 0.66 H new ATOM 1141 N LYS A 77 -2.458 -8.346 22.676 1.00 0.63 N ATOM 1142 CA LYS A 77 -2.156 -8.015 24.100 1.00 0.67 C ATOM 1143 C LYS A 77 -3.480 -7.931 24.864 1.00 0.66 C ATOM 1144 O LYS A 77 -4.075 -6.885 24.976 1.00 1.02 O ATOM 1145 CB LYS A 77 -1.437 -6.671 24.176 1.00 0.86 C ATOM 1146 CG LYS A 77 -0.319 -6.627 23.132 1.00 1.59 C ATOM 1147 CD LYS A 77 0.554 -7.876 23.265 1.00 1.50 C ATOM 1148 CE LYS A 77 1.258 -7.864 24.622 1.00 1.76 C ATOM 1149 NZ LYS A 77 2.693 -8.224 24.442 1.00 2.33 N ATOM 0 H LYS A 77 -2.192 -7.632 21.998 1.00 0.63 H new ATOM 0 HA LYS A 77 -1.516 -8.782 24.535 1.00 0.67 H new ATOM 0 HB2 LYS A 77 -2.143 -5.859 24.002 1.00 0.86 H new ATOM 0 HB3 LYS A 77 -1.023 -6.525 25.174 1.00 0.86 H new ATOM 0 HG2 LYS A 77 -0.745 -6.573 22.130 1.00 1.59 H new ATOM 0 HG3 LYS A 77 0.286 -5.731 23.270 1.00 1.59 H new ATOM 0 HD2 LYS A 77 -0.058 -8.773 23.169 1.00 1.50 H new ATOM 0 HD3 LYS A 77 1.290 -7.905 22.462 1.00 1.50 H new ATOM 0 HE2 LYS A 77 1.174 -6.878 25.078 1.00 1.76 H new ATOM 0 HE3 LYS A 77 0.777 -8.570 25.299 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 3.171 -8.216 25.365 1.00 2.33 H new ATOM 0 HZ2 LYS A 77 2.763 -9.174 24.024 1.00 2.33 H new ATOM 0 HZ3 LYS A 77 3.147 -7.534 23.810 1.00 2.33 H new ATOM 1163 N CYS A 78 -3.946 -9.047 25.345 1.00 0.77 N ATOM 1164 CA CYS A 78 -5.262 -9.112 26.072 1.00 0.65 C ATOM 1165 C CYS A 78 -5.630 -7.788 26.735 1.00 0.59 C ATOM 1166 O CYS A 78 -6.680 -7.249 26.461 1.00 0.51 O ATOM 1167 CB CYS A 78 -5.261 -10.216 27.146 1.00 0.78 C ATOM 1168 SG CYS A 78 -3.754 -11.223 27.060 1.00 1.54 S ATOM 0 H CYS A 78 -3.465 -9.943 25.267 1.00 0.77 H new ATOM 0 HA CYS A 78 -6.007 -9.340 25.310 1.00 0.65 H new ATOM 0 HB2 CYS A 78 -5.342 -9.764 28.135 1.00 0.78 H new ATOM 0 HB3 CYS A 78 -6.135 -10.854 27.015 1.00 0.78 H new ATOM 1173 N PRO A 79 -4.790 -7.298 27.596 1.00 0.68 N ATOM 1174 CA PRO A 79 -5.070 -6.042 28.286 1.00 0.69 C ATOM 1175 C PRO A 79 -4.877 -4.874 27.337 1.00 0.64 C ATOM 1176 O PRO A 79 -3.771 -4.494 27.010 1.00 0.68 O ATOM 1177 CB PRO A 79 -4.075 -6.015 29.435 1.00 0.84 C ATOM 1178 CG PRO A 79 -2.937 -6.973 29.043 1.00 0.91 C ATOM 1179 CD PRO A 79 -3.504 -7.920 27.962 1.00 0.82 C ATOM 0 HA PRO A 79 -6.096 -5.965 28.647 1.00 0.69 H new ATOM 0 HB2 PRO A 79 -3.695 -5.006 29.597 1.00 0.84 H new ATOM 0 HB3 PRO A 79 -4.547 -6.331 30.365 1.00 0.84 H new ATOM 0 HG2 PRO A 79 -2.080 -6.419 28.661 1.00 0.91 H new ATOM 0 HG3 PRO A 79 -2.591 -7.538 29.909 1.00 0.91 H new ATOM 0 HD2 PRO A 79 -2.836 -7.994 27.104 1.00 0.82 H new ATOM 0 HD3 PRO A 79 -3.642 -8.930 28.347 1.00 0.82 H new ATOM 1187 N LEU A 80 -5.954 -4.294 26.899 1.00 0.58 N ATOM 1188 CA LEU A 80 -5.849 -3.149 25.982 1.00 0.52 C ATOM 1189 C LEU A 80 -5.862 -1.904 26.828 1.00 0.47 C ATOM 1190 O LEU A 80 -4.859 -1.242 27.001 1.00 0.48 O ATOM 1191 CB LEU A 80 -7.059 -3.121 25.061 1.00 0.50 C ATOM 1192 CG LEU A 80 -6.970 -4.227 24.006 1.00 0.64 C ATOM 1193 CD1 LEU A 80 -6.711 -3.599 22.625 1.00 1.52 C ATOM 1194 CD2 LEU A 80 -5.842 -5.217 24.334 1.00 1.59 C ATOM 0 H LEU A 80 -6.905 -4.571 27.142 1.00 0.58 H new ATOM 0 HA LEU A 80 -4.942 -3.218 25.381 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -7.970 -3.245 25.647 1.00 0.50 H new ATOM 0 HB3 LEU A 80 -7.125 -2.150 24.571 1.00 0.50 H new ATOM 0 HG LEU A 80 -7.915 -4.771 24.000 1.00 0.64 H new ATOM 0 HD11 LEU A 80 -6.648 -4.386 21.874 1.00 1.52 H new ATOM 0 HD12 LEU A 80 -7.528 -2.923 22.374 1.00 1.52 H new ATOM 0 HD13 LEU A 80 -5.774 -3.043 22.648 1.00 1.52 H new ATOM 0 HD21 LEU A 80 -5.803 -5.991 23.568 1.00 1.59 H new ATOM 0 HD22 LEU A 80 -4.890 -4.687 24.363 1.00 1.59 H new ATOM 0 HD23 LEU A 80 -6.032 -5.676 25.304 1.00 1.59 H new ATOM 1206 N VAL A 81 -6.998 -1.610 27.387 1.00 0.48 N ATOM 1207 CA VAL A 81 -7.115 -0.443 28.246 1.00 0.47 C ATOM 1208 C VAL A 81 -6.354 0.718 27.610 1.00 0.36 C ATOM 1209 O VAL A 81 -5.981 0.659 26.459 1.00 0.35 O ATOM 1210 CB VAL A 81 -6.624 -0.866 29.632 1.00 0.59 C ATOM 1211 CG1 VAL A 81 -6.192 -2.328 29.577 1.00 1.23 C ATOM 1212 CG2 VAL A 81 -5.477 0.012 30.135 1.00 1.08 C ATOM 0 H VAL A 81 -7.856 -2.149 27.273 1.00 0.48 H new ATOM 0 HA VAL A 81 -8.137 -0.081 28.361 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.445 -0.742 30.338 1.00 0.59 H new ATOM 0 HG11 VAL A 81 -5.840 -2.641 30.560 1.00 1.23 H new ATOM 0 HG12 VAL A 81 -7.039 -2.947 29.281 1.00 1.23 H new ATOM 0 HG13 VAL A 81 -5.388 -2.443 28.850 1.00 1.23 H new ATOM 0 HG21 VAL A 81 -5.164 -0.328 31.122 1.00 1.08 H new ATOM 0 HG22 VAL A 81 -4.637 -0.056 29.444 1.00 1.08 H new ATOM 0 HG23 VAL A 81 -5.812 1.047 30.198 1.00 1.08 H new ATOM 1222 N LYS A 82 -6.170 1.790 28.298 1.00 0.35 N ATOM 1223 CA LYS A 82 -5.483 2.940 27.663 1.00 0.41 C ATOM 1224 C LYS A 82 -4.045 3.011 28.138 1.00 0.52 C ATOM 1225 O LYS A 82 -3.532 4.068 28.447 1.00 0.66 O ATOM 1226 CB LYS A 82 -6.193 4.213 28.061 1.00 0.47 C ATOM 1227 CG LYS A 82 -6.226 4.226 29.572 1.00 0.48 C ATOM 1228 CD LYS A 82 -7.679 4.272 30.052 1.00 0.66 C ATOM 1229 CE LYS A 82 -7.887 5.497 30.942 1.00 1.01 C ATOM 1230 NZ LYS A 82 -8.541 6.579 30.154 1.00 1.91 N ATOM 0 H LYS A 82 -6.460 1.927 29.266 1.00 0.35 H new ATOM 0 HA LYS A 82 -5.499 2.818 26.580 1.00 0.41 H new ATOM 0 HB2 LYS A 82 -5.668 5.087 27.676 1.00 0.47 H new ATOM 0 HB3 LYS A 82 -7.202 4.240 27.650 1.00 0.47 H new ATOM 0 HG2 LYS A 82 -5.730 3.338 29.965 1.00 0.48 H new ATOM 0 HG3 LYS A 82 -5.680 5.090 29.951 1.00 0.48 H new ATOM 0 HD2 LYS A 82 -8.354 4.313 29.197 1.00 0.66 H new ATOM 0 HD3 LYS A 82 -7.919 3.364 30.605 1.00 0.66 H new ATOM 0 HE2 LYS A 82 -8.504 5.235 31.801 1.00 1.01 H new ATOM 0 HE3 LYS A 82 -6.930 5.844 31.331 1.00 1.01 H new ATOM 0 HZ1 LYS A 82 -8.683 7.413 30.760 1.00 1.91 H new ATOM 0 HZ2 LYS A 82 -7.936 6.835 29.348 1.00 1.91 H new ATOM 0 HZ3 LYS A 82 -9.462 6.245 29.804 1.00 1.91 H new ATOM 1244 N GLY A 83 -3.392 1.901 28.204 1.00 0.53 N ATOM 1245 CA GLY A 83 -1.989 1.914 28.666 1.00 0.69 C ATOM 1246 C GLY A 83 -1.158 0.936 27.834 1.00 0.66 C ATOM 1247 O GLY A 83 -0.182 0.389 28.310 1.00 0.75 O ATOM 0 H GLY A 83 -3.766 0.984 27.959 1.00 0.53 H new ATOM 0 HA2 GLY A 83 -1.578 2.920 28.579 1.00 0.69 H new ATOM 0 HA3 GLY A 83 -1.941 1.640 29.720 1.00 0.69 H new ATOM 1251 N GLN A 84 -1.523 0.699 26.596 1.00 0.59 N ATOM 1252 CA GLN A 84 -0.724 -0.252 25.782 1.00 0.64 C ATOM 1253 C GLN A 84 -1.025 -0.062 24.301 1.00 0.56 C ATOM 1254 O GLN A 84 -2.150 0.146 23.892 1.00 0.68 O ATOM 1255 CB GLN A 84 -1.071 -1.686 26.201 1.00 0.89 C ATOM 1256 CG GLN A 84 -0.579 -2.703 25.159 1.00 1.00 C ATOM 1257 CD GLN A 84 0.765 -3.281 25.608 1.00 1.67 C ATOM 1258 OE1 GLN A 84 1.808 -2.775 25.246 1.00 2.56 O ATOM 1259 NE2 GLN A 84 0.784 -4.328 26.388 1.00 2.42 N ATOM 0 H GLN A 84 -2.326 1.118 26.127 1.00 0.59 H new ATOM 0 HA GLN A 84 0.337 -0.065 25.949 1.00 0.64 H new ATOM 0 HB2 GLN A 84 -0.619 -1.905 27.168 1.00 0.89 H new ATOM 0 HB3 GLN A 84 -2.150 -1.781 26.325 1.00 0.89 H new ATOM 0 HG2 GLN A 84 -1.310 -3.503 25.042 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -0.474 -2.222 24.187 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -0.092 -4.753 26.692 1.00 2.42 H new ATOM 0 HE22 GLN A 84 1.675 -4.721 26.693 1.00 2.42 H new ATOM 1268 N GLN A 85 -0.012 -0.183 23.499 1.00 0.70 N ATOM 1269 CA GLN A 85 -0.186 -0.068 22.027 1.00 0.69 C ATOM 1270 C GLN A 85 -0.016 -1.472 21.465 1.00 0.76 C ATOM 1271 O GLN A 85 0.760 -2.249 21.985 1.00 1.09 O ATOM 1272 CB GLN A 85 0.882 0.862 21.444 1.00 0.95 C ATOM 1273 CG GLN A 85 0.415 1.398 20.089 1.00 1.59 C ATOM 1274 CD GLN A 85 1.485 2.332 19.520 1.00 1.94 C ATOM 1275 OE1 GLN A 85 1.190 3.441 19.121 1.00 3.03 O ATOM 1276 NE2 GLN A 85 2.727 1.932 19.471 1.00 2.20 N ATOM 0 H GLN A 85 0.945 -0.360 23.804 1.00 0.70 H new ATOM 0 HA GLN A 85 -1.162 0.346 21.774 1.00 0.69 H new ATOM 0 HB2 GLN A 85 1.070 1.690 22.128 1.00 0.95 H new ATOM 0 HB3 GLN A 85 1.823 0.324 21.328 1.00 0.95 H new ATOM 0 HG2 GLN A 85 0.233 0.572 19.401 1.00 1.59 H new ATOM 0 HG3 GLN A 85 -0.528 1.932 20.202 1.00 1.59 H new ATOM 0 HE21 GLN A 85 2.977 1.001 19.806 1.00 2.20 H new ATOM 0 HE22 GLN A 85 3.448 2.550 19.098 1.00 2.20 H new ATOM 1285 N TYR A 86 -0.731 -1.847 20.444 1.00 0.59 N ATOM 1286 CA TYR A 86 -0.556 -3.235 19.962 1.00 0.85 C ATOM 1287 C TYR A 86 -1.078 -3.353 18.525 1.00 0.57 C ATOM 1288 O TYR A 86 -1.785 -2.489 18.048 1.00 1.08 O ATOM 1289 CB TYR A 86 -1.282 -4.150 20.950 1.00 1.48 C ATOM 1290 CG TYR A 86 -2.515 -4.726 20.353 1.00 0.97 C ATOM 1291 CD1 TYR A 86 -2.395 -5.697 19.364 1.00 1.17 C ATOM 1292 CD2 TYR A 86 -3.779 -4.334 20.822 1.00 0.77 C ATOM 1293 CE1 TYR A 86 -3.527 -6.287 18.832 1.00 1.23 C ATOM 1294 CE2 TYR A 86 -4.918 -4.937 20.279 1.00 1.17 C ATOM 1295 CZ TYR A 86 -4.791 -5.916 19.286 1.00 1.31 C ATOM 1296 OH TYR A 86 -5.915 -6.517 18.756 1.00 1.83 O ATOM 0 H TYR A 86 -1.406 -1.273 19.939 1.00 0.59 H new ATOM 0 HA TYR A 86 0.492 -3.530 19.923 1.00 0.85 H new ATOM 0 HB2 TYR A 86 -0.616 -4.955 21.259 1.00 1.48 H new ATOM 0 HB3 TYR A 86 -1.539 -3.587 21.847 1.00 1.48 H new ATOM 0 HD1 TYR A 86 -1.417 -5.990 19.011 1.00 1.17 H new ATOM 0 HD2 TYR A 86 -3.870 -3.579 21.589 1.00 0.77 H new ATOM 0 HE1 TYR A 86 -3.431 -7.038 18.062 1.00 1.23 H new ATOM 0 HE2 TYR A 86 -5.898 -4.647 20.627 1.00 1.17 H new ATOM 0 HH TYR A 86 -6.589 -6.628 19.459 1.00 1.83 H new ATOM 1306 N ASP A 87 -0.675 -4.370 17.796 1.00 0.71 N ATOM 1307 CA ASP A 87 -1.099 -4.448 16.365 1.00 0.63 C ATOM 1308 C ASP A 87 -1.633 -5.826 15.943 1.00 0.61 C ATOM 1309 O ASP A 87 -0.886 -6.676 15.504 1.00 0.68 O ATOM 1310 CB ASP A 87 0.122 -4.136 15.502 1.00 0.91 C ATOM 1311 CG ASP A 87 1.200 -5.193 15.745 1.00 1.14 C ATOM 1312 OD1 ASP A 87 1.802 -5.164 16.805 1.00 1.42 O ATOM 1313 OD2 ASP A 87 1.406 -6.014 14.866 1.00 1.52 O ATOM 0 H ASP A 87 -0.083 -5.133 18.124 1.00 0.71 H new ATOM 0 HA ASP A 87 -1.915 -3.738 16.234 1.00 0.63 H new ATOM 0 HB2 ASP A 87 -0.158 -4.122 14.449 1.00 0.91 H new ATOM 0 HB3 ASP A 87 0.508 -3.145 15.743 1.00 0.91 H new ATOM 1318 N ILE A 88 -2.923 -6.030 15.998 1.00 0.63 N ATOM 1319 CA ILE A 88 -3.493 -7.316 15.520 1.00 0.61 C ATOM 1320 C ILE A 88 -3.079 -7.502 14.054 1.00 0.55 C ATOM 1321 O ILE A 88 -2.197 -6.818 13.578 1.00 0.72 O ATOM 1322 CB ILE A 88 -5.007 -7.213 15.622 1.00 0.62 C ATOM 1323 CG1 ILE A 88 -5.615 -8.603 15.730 1.00 0.62 C ATOM 1324 CG2 ILE A 88 -5.567 -6.475 14.407 1.00 0.77 C ATOM 1325 CD1 ILE A 88 -6.024 -8.811 17.178 1.00 1.33 C ATOM 0 H ILE A 88 -3.604 -5.359 16.354 1.00 0.63 H new ATOM 0 HA ILE A 88 -3.137 -8.161 16.109 1.00 0.61 H new ATOM 0 HB ILE A 88 -5.266 -6.649 16.518 1.00 0.62 H new ATOM 0 HG12 ILE A 88 -6.478 -8.696 15.071 1.00 0.62 H new ATOM 0 HG13 ILE A 88 -4.895 -9.361 15.422 1.00 0.62 H new ATOM 0 HG21 ILE A 88 -6.652 -6.407 14.491 1.00 0.77 H new ATOM 0 HG22 ILE A 88 -5.143 -5.472 14.363 1.00 0.77 H new ATOM 0 HG23 ILE A 88 -5.306 -7.019 13.499 1.00 0.77 H new ATOM 0 HD11 ILE A 88 -6.465 -9.801 17.293 1.00 1.33 H new ATOM 0 HD12 ILE A 88 -5.147 -8.728 17.819 1.00 1.33 H new ATOM 0 HD13 ILE A 88 -6.754 -8.053 17.462 1.00 1.33 H new ATOM 1337 N LYS A 89 -3.709 -8.395 13.323 1.00 0.60 N ATOM 1338 CA LYS A 89 -3.324 -8.570 11.877 1.00 0.51 C ATOM 1339 C LYS A 89 -3.841 -9.902 11.292 1.00 0.50 C ATOM 1340 O LYS A 89 -4.455 -10.705 11.965 1.00 0.53 O ATOM 1341 CB LYS A 89 -1.800 -8.527 11.748 1.00 0.61 C ATOM 1342 CG LYS A 89 -1.382 -7.228 11.050 1.00 0.54 C ATOM 1343 CD LYS A 89 -0.073 -7.454 10.294 1.00 0.77 C ATOM 1344 CE LYS A 89 0.934 -6.372 10.687 1.00 0.96 C ATOM 1345 NZ LYS A 89 2.231 -6.629 10.002 1.00 1.45 N ATOM 0 H LYS A 89 -4.460 -9.001 13.654 1.00 0.60 H new ATOM 0 HA LYS A 89 -3.783 -7.757 11.315 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -1.339 -8.587 12.734 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -1.448 -9.388 11.179 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -2.162 -6.906 10.360 1.00 0.54 H new ATOM 0 HG3 LYS A 89 -1.258 -6.432 11.784 1.00 0.54 H new ATOM 0 HD2 LYS A 89 0.328 -8.441 10.526 1.00 0.77 H new ATOM 0 HD3 LYS A 89 -0.252 -7.427 9.219 1.00 0.77 H new ATOM 0 HE2 LYS A 89 0.553 -5.389 10.411 1.00 0.96 H new ATOM 0 HE3 LYS A 89 1.076 -6.367 11.768 1.00 0.96 H new ATOM 0 HZ1 LYS A 89 2.916 -5.894 10.269 1.00 1.45 H new ATOM 0 HZ2 LYS A 89 2.595 -7.561 10.286 1.00 1.45 H new ATOM 0 HZ3 LYS A 89 2.089 -6.612 8.972 1.00 1.45 H new ATOM 1359 N TYR A 90 -3.580 -10.111 10.016 1.00 0.53 N ATOM 1360 CA TYR A 90 -4.019 -11.352 9.288 1.00 0.57 C ATOM 1361 C TYR A 90 -3.201 -11.442 7.994 1.00 0.70 C ATOM 1362 O TYR A 90 -3.669 -11.120 6.920 1.00 0.85 O ATOM 1363 CB TYR A 90 -5.513 -11.247 8.987 1.00 0.60 C ATOM 1364 CG TYR A 90 -6.249 -11.420 10.292 1.00 0.58 C ATOM 1365 CD1 TYR A 90 -6.332 -12.688 10.882 1.00 0.59 C ATOM 1366 CD2 TYR A 90 -6.815 -10.312 10.931 1.00 0.70 C ATOM 1367 CE1 TYR A 90 -6.983 -12.847 12.112 1.00 0.70 C ATOM 1368 CE2 TYR A 90 -7.471 -10.471 12.158 1.00 0.78 C ATOM 1369 CZ TYR A 90 -7.553 -11.738 12.749 1.00 0.76 C ATOM 1370 OH TYR A 90 -8.195 -11.894 13.960 1.00 0.91 O ATOM 0 H TYR A 90 -3.065 -9.451 9.433 1.00 0.53 H new ATOM 0 HA TYR A 90 -3.855 -12.249 9.886 1.00 0.57 H new ATOM 0 HB2 TYR A 90 -5.747 -10.281 8.539 1.00 0.60 H new ATOM 0 HB3 TYR A 90 -5.815 -12.012 8.272 1.00 0.60 H new ATOM 0 HD1 TYR A 90 -5.894 -13.543 10.388 1.00 0.59 H new ATOM 0 HD2 TYR A 90 -6.746 -9.334 10.478 1.00 0.70 H new ATOM 0 HE1 TYR A 90 -7.045 -13.824 12.568 1.00 0.70 H new ATOM 0 HE2 TYR A 90 -7.914 -9.617 12.648 1.00 0.78 H new ATOM 0 HH TYR A 90 -7.856 -11.231 14.598 1.00 0.91 H new ATOM 1380 N THR A 91 -1.957 -11.846 8.115 1.00 0.90 N ATOM 1381 CA THR A 91 -1.045 -11.939 6.930 1.00 1.12 C ATOM 1382 C THR A 91 -1.723 -12.654 5.763 1.00 0.94 C ATOM 1383 O THR A 91 -2.890 -12.988 5.814 1.00 1.07 O ATOM 1384 CB THR A 91 0.219 -12.708 7.323 1.00 1.39 C ATOM 1385 OG1 THR A 91 -0.130 -14.043 7.665 1.00 2.04 O ATOM 1386 CG2 THR A 91 0.882 -12.028 8.522 1.00 2.44 C ATOM 0 H THR A 91 -1.529 -12.119 9.000 1.00 0.90 H new ATOM 0 HA THR A 91 -0.792 -10.927 6.614 1.00 1.12 H new ATOM 0 HB THR A 91 0.915 -12.717 6.485 1.00 1.39 H new ATOM 0 HG1 THR A 91 0.678 -14.538 7.915 1.00 2.04 H new ATOM 0 HG21 THR A 91 1.782 -12.577 8.800 1.00 2.44 H new ATOM 0 HG22 THR A 91 1.149 -11.005 8.258 1.00 2.44 H new ATOM 0 HG23 THR A 91 0.189 -12.017 9.363 1.00 2.44 H new ATOM 1394 N TRP A 92 -0.996 -12.876 4.696 1.00 1.06 N ATOM 1395 CA TRP A 92 -1.609 -13.546 3.520 1.00 1.25 C ATOM 1396 C TRP A 92 -0.537 -14.035 2.538 1.00 1.26 C ATOM 1397 O TRP A 92 -0.098 -13.301 1.675 1.00 1.29 O ATOM 1398 CB TRP A 92 -2.500 -12.534 2.806 1.00 1.72 C ATOM 1399 CG TRP A 92 -3.460 -13.247 1.920 1.00 2.06 C ATOM 1400 CD1 TRP A 92 -3.117 -13.994 0.848 1.00 2.87 C ATOM 1401 CD2 TRP A 92 -4.909 -13.292 2.007 1.00 2.44 C ATOM 1402 NE1 TRP A 92 -4.267 -14.488 0.265 1.00 3.46 N ATOM 1403 CE2 TRP A 92 -5.397 -14.083 0.945 1.00 3.26 C ATOM 1404 CE3 TRP A 92 -5.838 -12.727 2.896 1.00 2.88 C ATOM 1405 CZ2 TRP A 92 -6.757 -14.305 0.768 1.00 4.05 C ATOM 1406 CZ3 TRP A 92 -7.212 -12.951 2.723 1.00 3.73 C ATOM 1407 CH2 TRP A 92 -7.671 -13.737 1.659 1.00 4.22 C ATOM 0 H TRP A 92 -0.013 -12.623 4.593 1.00 1.06 H new ATOM 0 HA TRP A 92 -2.181 -14.408 3.863 1.00 1.25 H new ATOM 0 HB2 TRP A 92 -3.042 -11.933 3.536 1.00 1.72 H new ATOM 0 HB3 TRP A 92 -1.889 -11.848 2.219 1.00 1.72 H new ATOM 0 HD1 TRP A 92 -2.109 -14.175 0.504 1.00 2.87 H new ATOM 0 HE1 TRP A 92 -4.280 -15.079 -0.566 1.00 3.46 H new ATOM 0 HE3 TRP A 92 -5.493 -12.117 3.717 1.00 2.88 H new ATOM 0 HZ2 TRP A 92 -7.106 -14.913 -0.054 1.00 4.05 H new ATOM 0 HZ3 TRP A 92 -7.919 -12.515 3.414 1.00 3.73 H new ATOM 0 HH2 TRP A 92 -8.730 -13.904 1.527 1.00 4.22 H new ATOM 1418 N ASN A 93 -0.141 -15.278 2.629 1.00 1.42 N ATOM 1419 CA ASN A 93 0.862 -15.804 1.660 1.00 1.57 C ATOM 1420 C ASN A 93 0.142 -15.989 0.325 1.00 1.42 C ATOM 1421 O ASN A 93 -0.650 -16.897 0.163 1.00 1.50 O ATOM 1422 CB ASN A 93 1.401 -17.152 2.149 1.00 1.97 C ATOM 1423 CG ASN A 93 2.656 -17.524 1.358 1.00 1.91 C ATOM 1424 OD1 ASN A 93 3.058 -16.809 0.461 1.00 2.32 O ATOM 1425 ND2 ASN A 93 3.298 -18.622 1.654 1.00 2.50 N ATOM 0 H ASN A 93 -0.467 -15.946 3.327 1.00 1.42 H new ATOM 0 HA ASN A 93 1.702 -15.117 1.559 1.00 1.57 H new ATOM 0 HB2 ASN A 93 1.633 -17.097 3.213 1.00 1.97 H new ATOM 0 HB3 ASN A 93 0.641 -17.924 2.028 1.00 1.97 H new ATOM 0 HD21 ASN A 93 4.136 -18.879 1.133 1.00 2.50 H new ATOM 0 HD22 ASN A 93 2.961 -19.223 2.407 1.00 2.50 H new ATOM 1432 N VAL A 94 0.361 -15.115 -0.618 1.00 1.27 N ATOM 1433 CA VAL A 94 -0.373 -15.239 -1.907 1.00 1.13 C ATOM 1434 C VAL A 94 0.480 -15.904 -2.995 1.00 1.24 C ATOM 1435 O VAL A 94 1.450 -15.337 -3.457 1.00 1.43 O ATOM 1436 CB VAL A 94 -0.799 -13.847 -2.381 1.00 0.96 C ATOM 1437 CG1 VAL A 94 -0.936 -13.832 -3.907 1.00 1.32 C ATOM 1438 CG2 VAL A 94 -2.146 -13.504 -1.743 1.00 0.89 C ATOM 0 H VAL A 94 1.008 -14.329 -0.553 1.00 1.27 H new ATOM 0 HA VAL A 94 -1.244 -15.871 -1.734 1.00 1.13 H new ATOM 0 HB VAL A 94 -0.047 -13.114 -2.089 1.00 0.96 H new ATOM 0 HG11 VAL A 94 -1.239 -12.838 -4.235 1.00 1.32 H new ATOM 0 HG12 VAL A 94 0.022 -14.088 -4.361 1.00 1.32 H new ATOM 0 HG13 VAL A 94 -1.688 -14.560 -4.212 1.00 1.32 H new ATOM 0 HG21 VAL A 94 -2.463 -12.514 -2.072 1.00 0.89 H new ATOM 0 HG22 VAL A 94 -2.890 -14.242 -2.044 1.00 0.89 H new ATOM 0 HG23 VAL A 94 -2.047 -13.511 -0.658 1.00 0.89 H new ATOM 1448 N PRO A 95 0.044 -17.069 -3.412 1.00 1.21 N ATOM 1449 CA PRO A 95 0.692 -17.826 -4.498 1.00 1.31 C ATOM 1450 C PRO A 95 0.240 -17.241 -5.843 1.00 1.32 C ATOM 1451 O PRO A 95 0.836 -16.323 -6.372 1.00 2.06 O ATOM 1452 CB PRO A 95 0.148 -19.247 -4.314 1.00 1.38 C ATOM 1453 CG PRO A 95 -1.168 -19.118 -3.518 1.00 1.35 C ATOM 1454 CD PRO A 95 -1.132 -17.747 -2.827 1.00 1.21 C ATOM 0 HA PRO A 95 1.781 -17.794 -4.479 1.00 1.31 H new ATOM 0 HB2 PRO A 95 -0.028 -19.722 -5.279 1.00 1.38 H new ATOM 0 HB3 PRO A 95 0.865 -19.870 -3.779 1.00 1.38 H new ATOM 0 HG2 PRO A 95 -2.030 -19.195 -4.180 1.00 1.35 H new ATOM 0 HG3 PRO A 95 -1.257 -19.919 -2.784 1.00 1.35 H new ATOM 0 HD2 PRO A 95 -2.047 -17.185 -3.012 1.00 1.21 H new ATOM 0 HD3 PRO A 95 -1.034 -17.850 -1.746 1.00 1.21 H new ATOM 1462 N LYS A 96 -0.841 -17.747 -6.367 1.00 1.31 N ATOM 1463 CA LYS A 96 -1.401 -17.224 -7.642 1.00 1.22 C ATOM 1464 C LYS A 96 -2.896 -17.055 -7.404 1.00 1.01 C ATOM 1465 O LYS A 96 -3.475 -16.016 -7.651 1.00 0.96 O ATOM 1466 CB LYS A 96 -1.154 -18.224 -8.773 1.00 1.43 C ATOM 1467 CG LYS A 96 0.003 -17.728 -9.641 1.00 1.63 C ATOM 1468 CD LYS A 96 -0.539 -17.221 -10.978 1.00 1.92 C ATOM 1469 CE LYS A 96 0.624 -16.999 -11.947 1.00 2.18 C ATOM 1470 NZ LYS A 96 0.995 -15.555 -11.956 1.00 2.75 N ATOM 0 H LYS A 96 -1.370 -18.516 -5.956 1.00 1.31 H new ATOM 0 HA LYS A 96 -0.934 -16.282 -7.931 1.00 1.22 H new ATOM 0 HB2 LYS A 96 -0.920 -19.206 -8.361 1.00 1.43 H new ATOM 0 HB3 LYS A 96 -2.054 -18.338 -9.377 1.00 1.43 H new ATOM 0 HG2 LYS A 96 0.539 -16.929 -9.128 1.00 1.63 H new ATOM 0 HG3 LYS A 96 0.717 -18.535 -9.809 1.00 1.63 H new ATOM 0 HD2 LYS A 96 -1.242 -17.942 -11.395 1.00 1.92 H new ATOM 0 HD3 LYS A 96 -1.087 -16.290 -10.831 1.00 1.92 H new ATOM 0 HE2 LYS A 96 1.480 -17.604 -11.649 1.00 2.18 H new ATOM 0 HE3 LYS A 96 0.342 -17.319 -12.950 1.00 2.18 H new ATOM 0 HZ1 LYS A 96 1.786 -15.404 -12.615 1.00 2.75 H new ATOM 0 HZ2 LYS A 96 0.178 -14.988 -12.260 1.00 2.75 H new ATOM 0 HZ3 LYS A 96 1.281 -15.264 -10.999 1.00 2.75 H new ATOM 1484 N ILE A 97 -3.498 -18.069 -6.851 1.00 1.06 N ATOM 1485 CA ILE A 97 -4.936 -18.010 -6.490 1.00 0.99 C ATOM 1486 C ILE A 97 -5.845 -17.775 -7.703 1.00 0.92 C ATOM 1487 O ILE A 97 -7.048 -17.696 -7.557 1.00 0.91 O ATOM 1488 CB ILE A 97 -5.097 -16.881 -5.485 1.00 0.90 C ATOM 1489 CG1 ILE A 97 -3.984 -16.998 -4.438 1.00 1.05 C ATOM 1490 CG2 ILE A 97 -6.463 -16.981 -4.804 1.00 1.15 C ATOM 1491 CD1 ILE A 97 -3.161 -15.716 -4.450 1.00 0.99 C ATOM 0 H ILE A 97 -3.042 -18.954 -6.630 1.00 1.06 H new ATOM 0 HA ILE A 97 -5.239 -18.970 -6.072 1.00 0.99 H new ATOM 0 HB ILE A 97 -5.031 -15.919 -5.993 1.00 0.90 H new ATOM 0 HG12 ILE A 97 -4.412 -17.162 -3.449 1.00 1.05 H new ATOM 0 HG13 ILE A 97 -3.349 -17.856 -4.657 1.00 1.05 H new ATOM 0 HG21 ILE A 97 -6.571 -16.169 -4.085 1.00 1.15 H new ATOM 0 HG22 ILE A 97 -7.250 -16.909 -5.555 1.00 1.15 H new ATOM 0 HG23 ILE A 97 -6.542 -17.937 -4.286 1.00 1.15 H new ATOM 0 HD11 ILE A 97 -2.365 -15.787 -3.708 1.00 0.99 H new ATOM 0 HD12 ILE A 97 -2.724 -15.573 -5.438 1.00 0.99 H new ATOM 0 HD13 ILE A 97 -3.804 -14.869 -4.212 1.00 0.99 H new ATOM 1503 N ALA A 98 -5.316 -17.680 -8.893 1.00 0.96 N ATOM 1504 CA ALA A 98 -6.199 -17.468 -10.059 1.00 0.94 C ATOM 1505 C ALA A 98 -7.106 -16.266 -9.793 1.00 0.77 C ATOM 1506 O ALA A 98 -7.111 -15.710 -8.713 1.00 0.73 O ATOM 1507 CB ALA A 98 -7.050 -18.720 -10.265 1.00 1.07 C ATOM 0 H ALA A 98 -4.319 -17.740 -9.100 1.00 0.96 H new ATOM 0 HA ALA A 98 -5.603 -17.277 -10.952 1.00 0.94 H new ATOM 0 HB1 ALA A 98 -7.707 -18.576 -11.123 1.00 1.07 H new ATOM 0 HB2 ALA A 98 -6.400 -19.576 -10.445 1.00 1.07 H new ATOM 0 HB3 ALA A 98 -7.651 -18.902 -9.374 1.00 1.07 H new ATOM 1513 N PRO A 99 -7.844 -15.907 -10.798 1.00 0.75 N ATOM 1514 CA PRO A 99 -8.783 -14.778 -10.745 1.00 0.73 C ATOM 1515 C PRO A 99 -10.046 -15.227 -10.045 1.00 0.86 C ATOM 1516 O PRO A 99 -10.442 -16.368 -10.154 1.00 1.57 O ATOM 1517 CB PRO A 99 -9.107 -14.503 -12.202 1.00 0.83 C ATOM 1518 CG PRO A 99 -8.857 -15.831 -12.923 1.00 0.88 C ATOM 1519 CD PRO A 99 -7.812 -16.597 -12.089 1.00 0.88 C ATOM 0 HA PRO A 99 -8.381 -13.910 -10.222 1.00 0.73 H new ATOM 0 HB2 PRO A 99 -10.140 -14.178 -12.322 1.00 0.83 H new ATOM 0 HB3 PRO A 99 -8.475 -13.711 -12.604 1.00 0.83 H new ATOM 0 HG2 PRO A 99 -9.780 -16.405 -13.009 1.00 0.88 H new ATOM 0 HG3 PRO A 99 -8.493 -15.659 -13.936 1.00 0.88 H new ATOM 0 HD2 PRO A 99 -8.071 -17.651 -11.989 1.00 0.88 H new ATOM 0 HD3 PRO A 99 -6.823 -16.554 -12.545 1.00 0.88 H new ATOM 1527 N LYS A 100 -10.707 -14.342 -9.376 1.00 0.72 N ATOM 1528 CA LYS A 100 -11.969 -14.724 -8.728 1.00 0.72 C ATOM 1529 C LYS A 100 -11.760 -15.888 -7.748 1.00 0.68 C ATOM 1530 O LYS A 100 -11.139 -16.884 -8.058 1.00 0.73 O ATOM 1531 CB LYS A 100 -12.917 -15.136 -9.852 1.00 0.80 C ATOM 1532 CG LYS A 100 -13.219 -13.932 -10.754 1.00 0.96 C ATOM 1533 CD LYS A 100 -13.837 -12.793 -9.939 1.00 0.92 C ATOM 1534 CE LYS A 100 -15.293 -12.589 -10.361 1.00 1.01 C ATOM 1535 NZ LYS A 100 -16.145 -12.450 -9.146 1.00 1.93 N ATOM 0 H LYS A 100 -10.426 -13.370 -9.251 1.00 0.72 H new ATOM 0 HA LYS A 100 -12.373 -13.895 -8.146 1.00 0.72 H new ATOM 0 HB2 LYS A 100 -12.470 -15.938 -10.440 1.00 0.80 H new ATOM 0 HB3 LYS A 100 -13.844 -15.527 -9.432 1.00 0.80 H new ATOM 0 HG2 LYS A 100 -12.301 -13.589 -11.232 1.00 0.96 H new ATOM 0 HG3 LYS A 100 -13.901 -14.229 -11.551 1.00 0.96 H new ATOM 0 HD2 LYS A 100 -13.786 -13.025 -8.875 1.00 0.92 H new ATOM 0 HD3 LYS A 100 -13.271 -11.874 -10.093 1.00 0.92 H new ATOM 0 HE2 LYS A 100 -15.381 -11.699 -10.984 1.00 1.01 H new ATOM 0 HE3 LYS A 100 -15.631 -13.434 -10.961 1.00 1.01 H new ATOM 0 HZ1 LYS A 100 -17.138 -12.633 -9.395 1.00 1.93 H new ATOM 0 HZ2 LYS A 100 -15.837 -13.134 -8.426 1.00 1.93 H new ATOM 0 HZ3 LYS A 100 -16.055 -11.485 -8.768 1.00 1.93 H new ATOM 1549 N SER A 101 -12.291 -15.766 -6.561 1.00 0.79 N ATOM 1550 CA SER A 101 -12.144 -16.856 -5.555 1.00 0.80 C ATOM 1551 C SER A 101 -13.499 -17.530 -5.345 1.00 0.85 C ATOM 1552 O SER A 101 -14.535 -16.901 -5.436 1.00 1.18 O ATOM 1553 CB SER A 101 -11.656 -16.268 -4.230 1.00 0.80 C ATOM 1554 OG SER A 101 -11.556 -17.307 -3.265 1.00 1.43 O ATOM 0 H SER A 101 -12.822 -14.955 -6.244 1.00 0.79 H new ATOM 0 HA SER A 101 -11.420 -17.589 -5.912 1.00 0.80 H new ATOM 0 HB2 SER A 101 -10.687 -15.788 -4.367 1.00 0.80 H new ATOM 0 HB3 SER A 101 -12.347 -15.499 -3.884 1.00 0.80 H new ATOM 0 HG SER A 101 -10.613 -17.459 -3.045 1.00 1.43 H new ATOM 1560 N GLU A 102 -13.503 -18.805 -5.067 1.00 1.25 N ATOM 1561 CA GLU A 102 -14.795 -19.517 -4.853 1.00 1.36 C ATOM 1562 C GLU A 102 -15.714 -18.654 -3.987 1.00 1.21 C ATOM 1563 O GLU A 102 -16.923 -18.717 -4.094 1.00 1.29 O ATOM 1564 CB GLU A 102 -14.533 -20.850 -4.148 1.00 1.54 C ATOM 1565 CG GLU A 102 -14.650 -21.994 -5.158 1.00 2.17 C ATOM 1566 CD GLU A 102 -13.713 -23.132 -4.751 1.00 2.73 C ATOM 1567 OE1 GLU A 102 -13.104 -23.024 -3.699 1.00 3.31 O ATOM 1568 OE2 GLU A 102 -13.620 -24.092 -5.497 1.00 2.97 O ATOM 0 H GLU A 102 -12.668 -19.384 -4.979 1.00 1.25 H new ATOM 0 HA GLU A 102 -15.271 -19.703 -5.816 1.00 1.36 H new ATOM 0 HB2 GLU A 102 -13.540 -20.847 -3.699 1.00 1.54 H new ATOM 0 HB3 GLU A 102 -15.248 -20.992 -3.338 1.00 1.54 H new ATOM 0 HG2 GLU A 102 -15.678 -22.353 -5.200 1.00 2.17 H new ATOM 0 HG3 GLU A 102 -14.396 -21.639 -6.157 1.00 2.17 H new ATOM 1575 N ASN A 103 -15.148 -17.842 -3.136 1.00 1.08 N ATOM 1576 CA ASN A 103 -15.987 -16.968 -2.264 1.00 0.95 C ATOM 1577 C ASN A 103 -15.086 -16.185 -1.309 1.00 0.82 C ATOM 1578 O ASN A 103 -13.975 -16.585 -1.020 1.00 0.85 O ATOM 1579 CB ASN A 103 -16.957 -17.829 -1.450 1.00 1.09 C ATOM 1580 CG ASN A 103 -18.191 -17.001 -1.087 1.00 1.40 C ATOM 1581 OD1 ASN A 103 -18.080 -15.967 -0.458 1.00 2.47 O ATOM 1582 ND2 ASN A 103 -19.372 -17.415 -1.456 1.00 1.84 N ATOM 0 H ASN A 103 -14.141 -17.745 -3.006 1.00 1.08 H new ATOM 0 HA ASN A 103 -16.552 -16.275 -2.888 1.00 0.95 H new ATOM 0 HB2 ASN A 103 -17.251 -18.707 -2.025 1.00 1.09 H new ATOM 0 HB3 ASN A 103 -16.468 -18.190 -0.545 1.00 1.09 H new ATOM 0 HD21 ASN A 103 -20.201 -16.871 -1.217 1.00 1.84 H new ATOM 0 HD22 ASN A 103 -19.466 -18.283 -1.984 1.00 1.84 H new ATOM 1589 N VAL A 104 -15.554 -15.072 -0.811 1.00 0.74 N ATOM 1590 CA VAL A 104 -14.720 -14.272 0.128 1.00 0.66 C ATOM 1591 C VAL A 104 -15.617 -13.406 1.014 1.00 0.63 C ATOM 1592 O VAL A 104 -16.769 -13.168 0.711 1.00 0.83 O ATOM 1593 CB VAL A 104 -13.771 -13.370 -0.663 1.00 0.64 C ATOM 1594 CG1 VAL A 104 -12.397 -13.376 0.010 1.00 0.68 C ATOM 1595 CG2 VAL A 104 -13.645 -13.889 -2.099 1.00 0.68 C ATOM 0 H VAL A 104 -16.475 -14.684 -1.014 1.00 0.74 H new ATOM 0 HA VAL A 104 -14.141 -14.952 0.753 1.00 0.66 H new ATOM 0 HB VAL A 104 -14.163 -12.353 -0.684 1.00 0.64 H new ATOM 0 HG11 VAL A 104 -11.715 -12.735 -0.549 1.00 0.68 H new ATOM 0 HG12 VAL A 104 -12.490 -13.004 1.030 1.00 0.68 H new ATOM 0 HG13 VAL A 104 -12.005 -14.393 0.029 1.00 0.68 H new ATOM 0 HG21 VAL A 104 -12.968 -13.245 -2.661 1.00 0.68 H new ATOM 0 HG22 VAL A 104 -13.251 -14.905 -2.085 1.00 0.68 H new ATOM 0 HG23 VAL A 104 -14.626 -13.887 -2.574 1.00 0.68 H new ATOM 1605 N VAL A 105 -15.087 -12.930 2.107 1.00 0.60 N ATOM 1606 CA VAL A 105 -15.887 -12.073 3.026 1.00 0.58 C ATOM 1607 C VAL A 105 -14.984 -11.599 4.166 1.00 0.56 C ATOM 1608 O VAL A 105 -14.464 -12.392 4.926 1.00 0.74 O ATOM 1609 CB VAL A 105 -17.055 -12.882 3.596 1.00 0.58 C ATOM 1610 CG1 VAL A 105 -17.146 -12.654 5.106 1.00 0.82 C ATOM 1611 CG2 VAL A 105 -18.359 -12.427 2.936 1.00 0.86 C ATOM 0 H VAL A 105 -14.126 -13.100 2.405 1.00 0.60 H new ATOM 0 HA VAL A 105 -16.282 -11.214 2.484 1.00 0.58 H new ATOM 0 HB VAL A 105 -16.894 -13.941 3.397 1.00 0.58 H new ATOM 0 HG11 VAL A 105 -17.978 -13.230 5.511 1.00 0.82 H new ATOM 0 HG12 VAL A 105 -16.218 -12.975 5.579 1.00 0.82 H new ATOM 0 HG13 VAL A 105 -17.307 -11.595 5.305 1.00 0.82 H new ATOM 0 HG21 VAL A 105 -19.192 -13.002 3.341 1.00 0.86 H new ATOM 0 HG22 VAL A 105 -18.518 -11.368 3.137 1.00 0.86 H new ATOM 0 HG23 VAL A 105 -18.297 -12.587 1.860 1.00 0.86 H new ATOM 1621 N VAL A 106 -14.778 -10.316 4.287 1.00 0.55 N ATOM 1622 CA VAL A 106 -13.893 -9.810 5.372 1.00 0.52 C ATOM 1623 C VAL A 106 -14.728 -9.087 6.431 1.00 0.53 C ATOM 1624 O VAL A 106 -15.742 -8.485 6.137 1.00 0.95 O ATOM 1625 CB VAL A 106 -12.872 -8.834 4.782 1.00 0.62 C ATOM 1626 CG1 VAL A 106 -11.989 -8.273 5.899 1.00 0.71 C ATOM 1627 CG2 VAL A 106 -11.997 -9.566 3.765 1.00 0.88 C ATOM 0 H VAL A 106 -15.183 -9.600 3.684 1.00 0.55 H new ATOM 0 HA VAL A 106 -13.376 -10.652 5.833 1.00 0.52 H new ATOM 0 HB VAL A 106 -13.399 -8.016 4.291 1.00 0.62 H new ATOM 0 HG11 VAL A 106 -11.263 -7.579 5.475 1.00 0.71 H new ATOM 0 HG12 VAL A 106 -12.610 -7.750 6.626 1.00 0.71 H new ATOM 0 HG13 VAL A 106 -11.463 -9.090 6.393 1.00 0.71 H new ATOM 0 HG21 VAL A 106 -11.270 -8.872 3.344 1.00 0.88 H new ATOM 0 HG22 VAL A 106 -11.474 -10.385 4.258 1.00 0.88 H new ATOM 0 HG23 VAL A 106 -12.623 -9.964 2.966 1.00 0.88 H new ATOM 1637 N THR A 107 -14.300 -9.142 7.659 1.00 0.46 N ATOM 1638 CA THR A 107 -15.044 -8.462 8.755 1.00 0.44 C ATOM 1639 C THR A 107 -14.157 -8.450 9.997 1.00 0.37 C ATOM 1640 O THR A 107 -13.262 -9.259 10.130 1.00 0.50 O ATOM 1641 CB THR A 107 -16.336 -9.226 9.052 1.00 0.48 C ATOM 1642 OG1 THR A 107 -16.991 -9.537 7.830 1.00 0.74 O ATOM 1643 CG2 THR A 107 -17.251 -8.363 9.921 1.00 0.58 C ATOM 0 H THR A 107 -13.457 -9.634 7.954 1.00 0.46 H new ATOM 0 HA THR A 107 -15.298 -7.443 8.463 1.00 0.44 H new ATOM 0 HB THR A 107 -16.101 -10.149 9.582 1.00 0.48 H new ATOM 0 HG1 THR A 107 -16.937 -8.768 7.225 1.00 0.74 H new ATOM 0 HG21 THR A 107 -18.171 -8.907 10.133 1.00 0.58 H new ATOM 0 HG22 THR A 107 -16.746 -8.126 10.858 1.00 0.58 H new ATOM 0 HG23 THR A 107 -17.489 -7.439 9.393 1.00 0.58 H new ATOM 1651 N VAL A 108 -14.378 -7.545 10.910 1.00 0.35 N ATOM 1652 CA VAL A 108 -13.513 -7.523 12.119 1.00 0.35 C ATOM 1653 C VAL A 108 -14.083 -6.578 13.177 1.00 0.35 C ATOM 1654 O VAL A 108 -14.912 -5.734 12.900 1.00 0.41 O ATOM 1655 CB VAL A 108 -12.110 -7.046 11.722 1.00 0.41 C ATOM 1656 CG1 VAL A 108 -11.461 -6.290 12.885 1.00 0.93 C ATOM 1657 CG2 VAL A 108 -11.236 -8.246 11.351 1.00 1.09 C ATOM 0 H VAL A 108 -15.107 -6.832 10.873 1.00 0.35 H new ATOM 0 HA VAL A 108 -13.469 -8.529 12.537 1.00 0.35 H new ATOM 0 HB VAL A 108 -12.199 -6.380 10.863 1.00 0.41 H new ATOM 0 HG11 VAL A 108 -10.466 -5.956 12.592 1.00 0.93 H new ATOM 0 HG12 VAL A 108 -12.072 -5.425 13.143 1.00 0.93 H new ATOM 0 HG13 VAL A 108 -11.382 -6.950 13.749 1.00 0.93 H new ATOM 0 HG21 VAL A 108 -10.242 -7.899 11.070 1.00 1.09 H new ATOM 0 HG22 VAL A 108 -11.158 -8.918 12.206 1.00 1.09 H new ATOM 0 HG23 VAL A 108 -11.685 -8.778 10.512 1.00 1.09 H new ATOM 1667 N LYS A 109 -13.620 -6.716 14.391 1.00 0.35 N ATOM 1668 CA LYS A 109 -14.090 -5.838 15.492 1.00 0.38 C ATOM 1669 C LYS A 109 -13.402 -6.246 16.794 1.00 0.36 C ATOM 1670 O LYS A 109 -13.412 -7.397 17.184 1.00 0.45 O ATOM 1671 CB LYS A 109 -15.598 -5.971 15.672 1.00 0.44 C ATOM 1672 CG LYS A 109 -15.956 -5.572 17.106 1.00 0.45 C ATOM 1673 CD LYS A 109 -17.255 -4.768 17.100 1.00 0.43 C ATOM 1674 CE LYS A 109 -18.406 -5.665 16.644 1.00 0.77 C ATOM 1675 NZ LYS A 109 -19.547 -4.820 16.195 1.00 1.33 N ATOM 0 H LYS A 109 -12.926 -7.411 14.666 1.00 0.35 H new ATOM 0 HA LYS A 109 -13.847 -4.805 15.242 1.00 0.38 H new ATOM 0 HB2 LYS A 109 -16.122 -5.333 14.960 1.00 0.44 H new ATOM 0 HB3 LYS A 109 -15.914 -6.995 15.474 1.00 0.44 H new ATOM 0 HG2 LYS A 109 -16.069 -6.462 17.725 1.00 0.45 H new ATOM 0 HG3 LYS A 109 -15.151 -4.980 17.542 1.00 0.45 H new ATOM 0 HD2 LYS A 109 -17.458 -4.376 18.097 1.00 0.43 H new ATOM 0 HD3 LYS A 109 -17.162 -3.911 16.434 1.00 0.43 H new ATOM 0 HE2 LYS A 109 -18.077 -6.312 15.831 1.00 0.77 H new ATOM 0 HE3 LYS A 109 -18.720 -6.315 17.461 1.00 0.77 H new ATOM 0 HZ1 LYS A 109 -20.330 -5.430 15.885 1.00 1.33 H new ATOM 0 HZ2 LYS A 109 -19.866 -4.221 16.983 1.00 1.33 H new ATOM 0 HZ3 LYS A 109 -19.243 -4.218 15.403 1.00 1.33 H new ATOM 1689 N LEU A 110 -12.826 -5.302 17.480 1.00 0.40 N ATOM 1690 CA LEU A 110 -12.158 -5.611 18.770 1.00 0.40 C ATOM 1691 C LEU A 110 -12.945 -4.930 19.891 1.00 0.41 C ATOM 1692 O LEU A 110 -13.174 -3.739 19.862 1.00 0.49 O ATOM 1693 CB LEU A 110 -10.723 -5.082 18.744 1.00 0.43 C ATOM 1694 CG LEU A 110 -9.921 -5.725 19.874 1.00 0.68 C ATOM 1695 CD1 LEU A 110 -9.732 -7.214 19.585 1.00 0.78 C ATOM 1696 CD2 LEU A 110 -8.553 -5.049 19.969 1.00 0.97 C ATOM 0 H LEU A 110 -12.789 -4.322 17.199 1.00 0.40 H new ATOM 0 HA LEU A 110 -12.130 -6.688 18.935 1.00 0.40 H new ATOM 0 HB2 LEU A 110 -10.260 -5.305 17.783 1.00 0.43 H new ATOM 0 HB3 LEU A 110 -10.722 -3.998 18.855 1.00 0.43 H new ATOM 0 HG LEU A 110 -10.457 -5.604 20.815 1.00 0.68 H new ATOM 0 HD11 LEU A 110 -9.160 -7.671 20.392 1.00 0.78 H new ATOM 0 HD12 LEU A 110 -10.706 -7.697 19.512 1.00 0.78 H new ATOM 0 HD13 LEU A 110 -9.195 -7.337 18.644 1.00 0.78 H new ATOM 0 HD21 LEU A 110 -7.977 -5.505 20.774 1.00 0.97 H new ATOM 0 HD22 LEU A 110 -8.020 -5.173 19.026 1.00 0.97 H new ATOM 0 HD23 LEU A 110 -8.686 -3.987 20.174 1.00 0.97 H new ATOM 1708 N ILE A 111 -13.391 -5.681 20.858 1.00 0.40 N ATOM 1709 CA ILE A 111 -14.196 -5.081 21.962 1.00 0.45 C ATOM 1710 C ILE A 111 -13.563 -5.377 23.322 1.00 0.45 C ATOM 1711 O ILE A 111 -13.541 -6.504 23.770 1.00 0.46 O ATOM 1712 CB ILE A 111 -15.584 -5.703 21.942 1.00 0.53 C ATOM 1713 CG1 ILE A 111 -16.070 -5.822 20.495 1.00 0.53 C ATOM 1714 CG2 ILE A 111 -16.553 -4.825 22.737 1.00 0.65 C ATOM 1715 CD1 ILE A 111 -17.309 -6.717 20.444 1.00 0.68 C ATOM 0 H ILE A 111 -13.234 -6.686 20.933 1.00 0.40 H new ATOM 0 HA ILE A 111 -14.240 -4.002 21.815 1.00 0.45 H new ATOM 0 HB ILE A 111 -15.542 -6.694 22.394 1.00 0.53 H new ATOM 0 HG12 ILE A 111 -16.305 -4.835 20.097 1.00 0.53 H new ATOM 0 HG13 ILE A 111 -15.281 -6.239 19.869 1.00 0.53 H new ATOM 0 HG21 ILE A 111 -17.547 -5.273 22.721 1.00 0.65 H new ATOM 0 HG22 ILE A 111 -16.208 -4.744 23.768 1.00 0.65 H new ATOM 0 HG23 ILE A 111 -16.595 -3.832 22.289 1.00 0.65 H new ATOM 0 HD11 ILE A 111 -17.655 -6.801 19.414 1.00 0.68 H new ATOM 0 HD12 ILE A 111 -17.059 -7.707 20.825 1.00 0.68 H new ATOM 0 HD13 ILE A 111 -18.098 -6.281 21.057 1.00 0.68 H new ATOM 1727 N GLY A 112 -13.078 -4.376 24.002 1.00 0.53 N ATOM 1728 CA GLY A 112 -12.480 -4.620 25.344 1.00 0.59 C ATOM 1729 C GLY A 112 -13.603 -4.716 26.378 1.00 0.66 C ATOM 1730 O GLY A 112 -14.337 -5.684 26.421 1.00 0.76 O ATOM 0 H GLY A 112 -13.070 -3.405 23.689 1.00 0.53 H new ATOM 0 HA2 GLY A 112 -11.897 -5.541 25.335 1.00 0.59 H new ATOM 0 HA3 GLY A 112 -11.796 -3.812 25.604 1.00 0.59 H new ATOM 1734 N ASP A 113 -13.755 -3.716 27.201 1.00 0.69 N ATOM 1735 CA ASP A 113 -14.834 -3.738 28.214 1.00 0.79 C ATOM 1736 C ASP A 113 -15.396 -2.327 28.325 1.00 0.78 C ATOM 1737 O ASP A 113 -16.207 -2.033 29.181 1.00 0.92 O ATOM 1738 CB ASP A 113 -14.260 -4.160 29.563 1.00 0.94 C ATOM 1739 CG ASP A 113 -15.264 -5.055 30.292 1.00 1.20 C ATOM 1740 OD1 ASP A 113 -16.092 -5.650 29.623 1.00 1.34 O ATOM 1741 OD2 ASP A 113 -15.187 -5.130 31.508 1.00 1.92 O ATOM 0 H ASP A 113 -13.171 -2.880 27.211 1.00 0.69 H new ATOM 0 HA ASP A 113 -15.614 -4.442 27.925 1.00 0.79 H new ATOM 0 HB2 ASP A 113 -13.320 -4.693 29.419 1.00 0.94 H new ATOM 0 HB3 ASP A 113 -14.038 -3.280 30.166 1.00 0.94 H new ATOM 1746 N ASN A 114 -14.959 -1.445 27.467 1.00 0.71 N ATOM 1747 CA ASN A 114 -15.451 -0.059 27.527 1.00 0.77 C ATOM 1748 C ASN A 114 -16.069 0.332 26.181 1.00 0.81 C ATOM 1749 O ASN A 114 -16.826 1.278 26.086 1.00 1.05 O ATOM 1750 CB ASN A 114 -14.290 0.878 27.858 1.00 0.80 C ATOM 1751 CG ASN A 114 -13.420 0.240 28.941 1.00 0.93 C ATOM 1752 OD1 ASN A 114 -13.461 0.645 30.085 1.00 1.47 O ATOM 1753 ND2 ASN A 114 -12.632 -0.752 28.629 1.00 0.76 N ATOM 0 H ASN A 114 -14.281 -1.635 26.729 1.00 0.71 H new ATOM 0 HA ASN A 114 -16.213 0.022 28.302 1.00 0.77 H new ATOM 0 HB2 ASN A 114 -13.696 1.070 26.964 1.00 0.80 H new ATOM 0 HB3 ASN A 114 -14.670 1.840 28.201 1.00 0.80 H new ATOM 0 HD21 ASN A 114 -12.051 -1.187 29.346 1.00 0.76 H new ATOM 0 HD22 ASN A 114 -12.597 -1.093 27.668 1.00 0.76 H new ATOM 1760 N GLY A 115 -15.748 -0.387 25.139 1.00 0.72 N ATOM 1761 CA GLY A 115 -16.311 -0.058 23.799 1.00 0.78 C ATOM 1762 C GLY A 115 -15.660 -0.953 22.741 1.00 0.75 C ATOM 1763 O GLY A 115 -15.294 -2.080 23.010 1.00 1.21 O ATOM 0 H GLY A 115 -15.119 -1.190 25.159 1.00 0.72 H new ATOM 0 HA2 GLY A 115 -17.391 -0.204 23.800 1.00 0.78 H new ATOM 0 HA3 GLY A 115 -16.131 0.991 23.564 1.00 0.78 H new ATOM 1767 N VAL A 116 -15.513 -0.463 21.540 1.00 0.57 N ATOM 1768 CA VAL A 116 -14.885 -1.291 20.470 1.00 0.49 C ATOM 1769 C VAL A 116 -13.493 -0.742 20.144 1.00 0.49 C ATOM 1770 O VAL A 116 -13.349 0.270 19.487 1.00 0.62 O ATOM 1771 CB VAL A 116 -15.758 -1.250 19.216 1.00 0.52 C ATOM 1772 CG1 VAL A 116 -16.362 0.146 19.061 1.00 0.68 C ATOM 1773 CG2 VAL A 116 -14.899 -1.574 17.992 1.00 0.58 C ATOM 0 H VAL A 116 -15.800 0.473 21.253 1.00 0.57 H new ATOM 0 HA VAL A 116 -14.794 -2.321 20.816 1.00 0.49 H new ATOM 0 HB VAL A 116 -16.560 -1.983 19.304 1.00 0.52 H new ATOM 0 HG11 VAL A 116 -16.985 0.176 18.167 1.00 0.68 H new ATOM 0 HG12 VAL A 116 -16.971 0.378 19.935 1.00 0.68 H new ATOM 0 HG13 VAL A 116 -15.562 0.881 18.971 1.00 0.68 H new ATOM 0 HG21 VAL A 116 -15.518 -1.546 17.095 1.00 0.58 H new ATOM 0 HG22 VAL A 116 -14.099 -0.839 17.904 1.00 0.58 H new ATOM 0 HG23 VAL A 116 -14.467 -2.569 18.104 1.00 0.58 H new ATOM 1783 N LEU A 117 -12.470 -1.404 20.607 1.00 0.42 N ATOM 1784 CA LEU A 117 -11.080 -0.935 20.343 1.00 0.41 C ATOM 1785 C LEU A 117 -10.861 -0.704 18.845 1.00 0.41 C ATOM 1786 O LEU A 117 -10.352 0.321 18.437 1.00 0.53 O ATOM 1787 CB LEU A 117 -10.093 -1.998 20.826 1.00 0.39 C ATOM 1788 CG LEU A 117 -10.275 -2.221 22.324 1.00 0.44 C ATOM 1789 CD1 LEU A 117 -10.256 -3.724 22.627 1.00 0.53 C ATOM 1790 CD2 LEU A 117 -9.133 -1.531 23.069 1.00 0.58 C ATOM 0 H LEU A 117 -12.537 -2.257 21.162 1.00 0.42 H new ATOM 0 HA LEU A 117 -10.923 0.004 20.873 1.00 0.41 H new ATOM 0 HB2 LEU A 117 -10.255 -2.931 20.287 1.00 0.39 H new ATOM 0 HB3 LEU A 117 -9.071 -1.682 20.616 1.00 0.39 H new ATOM 0 HG LEU A 117 -11.230 -1.806 22.646 1.00 0.44 H new ATOM 0 HD11 LEU A 117 -10.386 -3.881 23.698 1.00 0.53 H new ATOM 0 HD12 LEU A 117 -11.066 -4.214 22.087 1.00 0.53 H new ATOM 0 HD13 LEU A 117 -9.302 -4.147 22.312 1.00 0.53 H new ATOM 0 HD21 LEU A 117 -9.253 -1.684 24.141 1.00 0.58 H new ATOM 0 HD22 LEU A 117 -8.181 -1.953 22.747 1.00 0.58 H new ATOM 0 HD23 LEU A 117 -9.149 -0.463 22.851 1.00 0.58 H new ATOM 1802 N ALA A 118 -11.217 -1.652 18.023 1.00 0.36 N ATOM 1803 CA ALA A 118 -10.999 -1.482 16.557 1.00 0.42 C ATOM 1804 C ALA A 118 -12.173 -2.069 15.777 1.00 0.49 C ATOM 1805 O ALA A 118 -13.160 -2.493 16.342 1.00 1.10 O ATOM 1806 CB ALA A 118 -9.713 -2.204 16.152 1.00 0.70 C ATOM 0 H ALA A 118 -11.648 -2.534 18.300 1.00 0.36 H new ATOM 0 HA ALA A 118 -10.918 -0.419 16.330 1.00 0.42 H new ATOM 0 HB1 ALA A 118 -9.549 -2.083 15.081 1.00 0.70 H new ATOM 0 HB2 ALA A 118 -8.870 -1.780 16.698 1.00 0.70 H new ATOM 0 HB3 ALA A 118 -9.802 -3.265 16.388 1.00 0.70 H new ATOM 1812 N CYS A 119 -12.071 -2.091 14.477 1.00 0.37 N ATOM 1813 CA CYS A 119 -13.178 -2.649 13.654 1.00 0.39 C ATOM 1814 C CYS A 119 -12.815 -2.541 12.172 1.00 0.40 C ATOM 1815 O CYS A 119 -12.006 -1.724 11.778 1.00 0.53 O ATOM 1816 CB CYS A 119 -14.462 -1.865 13.933 1.00 0.73 C ATOM 1817 SG CYS A 119 -15.324 -1.538 12.376 1.00 0.79 S ATOM 0 H CYS A 119 -11.269 -1.747 13.950 1.00 0.37 H new ATOM 0 HA CYS A 119 -13.333 -3.697 13.909 1.00 0.39 H new ATOM 0 HB2 CYS A 119 -15.107 -2.431 14.605 1.00 0.73 H new ATOM 0 HB3 CYS A 119 -14.225 -0.926 14.433 1.00 0.73 H new ATOM 1822 N ALA A 120 -13.403 -3.365 11.350 1.00 0.34 N ATOM 1823 CA ALA A 120 -13.096 -3.320 9.892 1.00 0.45 C ATOM 1824 C ALA A 120 -14.032 -4.277 9.152 1.00 0.40 C ATOM 1825 O ALA A 120 -14.143 -5.438 9.493 1.00 0.40 O ATOM 1826 CB ALA A 120 -11.644 -3.744 9.659 1.00 0.59 C ATOM 0 H ALA A 120 -14.086 -4.071 11.626 1.00 0.34 H new ATOM 0 HA ALA A 120 -13.238 -2.305 9.520 1.00 0.45 H new ATOM 0 HB1 ALA A 120 -11.422 -3.710 8.592 1.00 0.59 H new ATOM 0 HB2 ALA A 120 -10.977 -3.065 10.190 1.00 0.59 H new ATOM 0 HB3 ALA A 120 -11.498 -4.759 10.028 1.00 0.59 H new ATOM 1832 N ILE A 121 -14.713 -3.800 8.147 1.00 0.43 N ATOM 1833 CA ILE A 121 -15.646 -4.688 7.399 1.00 0.39 C ATOM 1834 C ILE A 121 -15.544 -4.405 5.899 1.00 0.44 C ATOM 1835 O ILE A 121 -15.603 -3.271 5.466 1.00 0.49 O ATOM 1836 CB ILE A 121 -17.077 -4.423 7.867 1.00 0.40 C ATOM 1837 CG1 ILE A 121 -17.168 -4.659 9.377 1.00 0.54 C ATOM 1838 CG2 ILE A 121 -18.037 -5.371 7.146 1.00 0.62 C ATOM 1839 CD1 ILE A 121 -17.516 -3.345 10.080 1.00 0.62 C ATOM 0 H ILE A 121 -14.664 -2.838 7.812 1.00 0.43 H new ATOM 0 HA ILE A 121 -15.381 -5.729 7.587 1.00 0.39 H new ATOM 0 HB ILE A 121 -17.348 -3.392 7.640 1.00 0.40 H new ATOM 0 HG12 ILE A 121 -17.927 -5.411 9.593 1.00 0.54 H new ATOM 0 HG13 ILE A 121 -16.221 -5.045 9.753 1.00 0.54 H new ATOM 0 HG21 ILE A 121 -19.057 -5.180 7.481 1.00 0.62 H new ATOM 0 HG22 ILE A 121 -17.972 -5.206 6.070 1.00 0.62 H new ATOM 0 HG23 ILE A 121 -17.768 -6.403 7.372 1.00 0.62 H new ATOM 0 HD11 ILE A 121 -17.581 -3.513 11.155 1.00 0.62 H new ATOM 0 HD12 ILE A 121 -16.741 -2.606 9.874 1.00 0.62 H new ATOM 0 HD13 ILE A 121 -18.474 -2.978 9.712 1.00 0.62 H new ATOM 1851 N ALA A 122 -15.400 -5.428 5.101 1.00 0.47 N ATOM 1852 CA ALA A 122 -15.306 -5.219 3.629 1.00 0.53 C ATOM 1853 C ALA A 122 -16.556 -5.799 2.965 1.00 0.73 C ATOM 1854 O ALA A 122 -16.560 -6.921 2.500 1.00 1.58 O ATOM 1855 CB ALA A 122 -14.061 -5.926 3.089 1.00 0.54 C ATOM 0 H ALA A 122 -15.343 -6.400 5.406 1.00 0.47 H new ATOM 0 HA ALA A 122 -15.234 -4.154 3.411 1.00 0.53 H new ATOM 0 HB1 ALA A 122 -13.994 -5.772 2.012 1.00 0.54 H new ATOM 0 HB2 ALA A 122 -13.173 -5.517 3.570 1.00 0.54 H new ATOM 0 HB3 ALA A 122 -14.129 -6.993 3.300 1.00 0.54 H new ATOM 1861 N THR A 123 -17.621 -5.045 2.930 1.00 1.06 N ATOM 1862 CA THR A 123 -18.878 -5.551 2.309 1.00 1.13 C ATOM 1863 C THR A 123 -18.556 -6.298 1.014 1.00 1.04 C ATOM 1864 O THR A 123 -18.124 -5.716 0.039 1.00 1.21 O ATOM 1865 CB THR A 123 -19.808 -4.376 2.002 1.00 1.35 C ATOM 1866 OG1 THR A 123 -19.618 -3.355 2.971 1.00 1.74 O ATOM 1867 CG2 THR A 123 -21.261 -4.852 2.038 1.00 1.87 C ATOM 0 H THR A 123 -17.675 -4.098 3.306 1.00 1.06 H new ATOM 0 HA THR A 123 -19.369 -6.233 3.004 1.00 1.13 H new ATOM 0 HB THR A 123 -19.580 -3.982 1.012 1.00 1.35 H new ATOM 0 HG1 THR A 123 -20.213 -2.602 2.773 1.00 1.74 H new ATOM 0 HG21 THR A 123 -21.924 -4.015 1.819 1.00 1.87 H new ATOM 0 HG22 THR A 123 -21.406 -5.634 1.293 1.00 1.87 H new ATOM 0 HG23 THR A 123 -21.490 -5.247 3.028 1.00 1.87 H new ATOM 1875 N HIS A 124 -18.771 -7.584 0.997 1.00 0.88 N ATOM 1876 CA HIS A 124 -18.490 -8.375 -0.233 1.00 0.88 C ATOM 1877 C HIS A 124 -17.016 -8.234 -0.619 1.00 0.81 C ATOM 1878 O HIS A 124 -16.362 -7.265 -0.289 1.00 1.13 O ATOM 1879 CB HIS A 124 -19.368 -7.866 -1.377 1.00 1.03 C ATOM 1880 CG HIS A 124 -20.722 -8.514 -1.295 1.00 1.32 C ATOM 1881 ND1 HIS A 124 -21.852 -7.819 -0.892 1.00 2.02 N ATOM 1882 CD2 HIS A 124 -21.144 -9.794 -1.558 1.00 2.35 C ATOM 1883 CE1 HIS A 124 -22.889 -8.676 -0.924 1.00 2.58 C ATOM 1884 NE2 HIS A 124 -22.512 -9.894 -1.323 1.00 2.94 N ATOM 0 H HIS A 124 -19.130 -8.123 1.785 1.00 0.88 H new ATOM 0 HA HIS A 124 -18.710 -9.425 -0.042 1.00 0.88 H new ATOM 0 HB2 HIS A 124 -19.467 -6.782 -1.319 1.00 1.03 H new ATOM 0 HB3 HIS A 124 -18.902 -8.092 -2.336 1.00 1.03 H new ATOM 0 HD2 HIS A 124 -20.510 -10.601 -1.896 1.00 2.35 H new ATOM 0 HE1 HIS A 124 -23.902 -8.412 -0.659 1.00 2.58 H new ATOM 0 HE2 HIS A 124 -23.101 -10.720 -1.432 1.00 2.94 H new ATOM 1892 N GLY A 125 -16.495 -9.200 -1.323 1.00 0.71 N ATOM 1893 CA GLY A 125 -15.067 -9.142 -1.747 1.00 0.75 C ATOM 1894 C GLY A 125 -14.843 -10.168 -2.858 1.00 0.76 C ATOM 1895 O GLY A 125 -14.906 -11.361 -2.634 1.00 1.28 O ATOM 0 H GLY A 125 -17.000 -10.033 -1.625 1.00 0.71 H new ATOM 0 HA2 GLY A 125 -14.818 -8.142 -2.101 1.00 0.75 H new ATOM 0 HA3 GLY A 125 -14.413 -9.352 -0.901 1.00 0.75 H new ATOM 1899 N LYS A 126 -14.598 -9.720 -4.058 1.00 0.66 N ATOM 1900 CA LYS A 126 -14.393 -10.681 -5.177 1.00 0.60 C ATOM 1901 C LYS A 126 -12.961 -10.581 -5.706 1.00 0.59 C ATOM 1902 O LYS A 126 -12.454 -9.509 -5.965 1.00 0.94 O ATOM 1903 CB LYS A 126 -15.370 -10.354 -6.309 1.00 0.74 C ATOM 1904 CG LYS A 126 -16.637 -11.198 -6.157 1.00 1.00 C ATOM 1905 CD LYS A 126 -17.804 -10.495 -6.856 1.00 1.11 C ATOM 1906 CE LYS A 126 -19.037 -11.401 -6.830 1.00 1.65 C ATOM 1907 NZ LYS A 126 -20.265 -10.573 -6.999 1.00 2.10 N ATOM 0 H LYS A 126 -14.531 -8.734 -4.311 1.00 0.66 H new ATOM 0 HA LYS A 126 -14.568 -11.693 -4.811 1.00 0.60 H new ATOM 0 HB2 LYS A 126 -15.623 -9.294 -6.289 1.00 0.74 H new ATOM 0 HB3 LYS A 126 -14.903 -10.552 -7.274 1.00 0.74 H new ATOM 0 HG2 LYS A 126 -16.482 -12.187 -6.589 1.00 1.00 H new ATOM 0 HG3 LYS A 126 -16.866 -11.344 -5.101 1.00 1.00 H new ATOM 0 HD2 LYS A 126 -18.024 -9.550 -6.359 1.00 1.11 H new ATOM 0 HD3 LYS A 126 -17.535 -10.258 -7.886 1.00 1.11 H new ATOM 0 HE2 LYS A 126 -18.973 -12.143 -7.626 1.00 1.65 H new ATOM 0 HE3 LYS A 126 -19.080 -11.947 -5.888 1.00 1.65 H new ATOM 0 HZ1 LYS A 126 -21.103 -11.188 -6.981 1.00 2.10 H new ATOM 0 HZ2 LYS A 126 -20.327 -9.881 -6.225 1.00 2.10 H new ATOM 0 HZ3 LYS A 126 -20.223 -10.071 -7.909 1.00 2.10 H new ATOM 1921 N ILE A 127 -12.313 -11.698 -5.885 1.00 0.54 N ATOM 1922 CA ILE A 127 -10.922 -11.681 -6.417 1.00 0.56 C ATOM 1923 C ILE A 127 -10.985 -11.534 -7.934 1.00 0.61 C ATOM 1924 O ILE A 127 -11.947 -11.929 -8.538 1.00 0.79 O ATOM 1925 CB ILE A 127 -10.237 -13.002 -6.074 1.00 0.69 C ATOM 1926 CG1 ILE A 127 -9.833 -12.998 -4.602 1.00 0.81 C ATOM 1927 CG2 ILE A 127 -9.003 -13.185 -6.957 1.00 0.77 C ATOM 1928 CD1 ILE A 127 -11.013 -13.495 -3.767 1.00 0.86 C ATOM 0 H ILE A 127 -12.688 -12.625 -5.685 1.00 0.54 H new ATOM 0 HA ILE A 127 -10.363 -10.854 -5.979 1.00 0.56 H new ATOM 0 HB ILE A 127 -10.925 -13.828 -6.253 1.00 0.69 H new ATOM 0 HG12 ILE A 127 -8.965 -13.638 -4.447 1.00 0.81 H new ATOM 0 HG13 ILE A 127 -9.547 -11.993 -4.292 1.00 0.81 H new ATOM 0 HG21 ILE A 127 -8.516 -14.128 -6.710 1.00 0.77 H new ATOM 0 HG22 ILE A 127 -9.304 -13.195 -8.005 1.00 0.77 H new ATOM 0 HG23 ILE A 127 -8.308 -12.362 -6.786 1.00 0.77 H new ATOM 0 HD11 ILE A 127 -10.737 -13.497 -2.712 1.00 0.86 H new ATOM 0 HD12 ILE A 127 -11.868 -12.836 -3.917 1.00 0.86 H new ATOM 0 HD13 ILE A 127 -11.276 -14.507 -4.075 1.00 0.86 H new ATOM 1940 N ARG A 128 -9.964 -10.978 -8.539 1.00 0.66 N ATOM 1941 CA ARG A 128 -9.935 -10.801 -10.030 1.00 0.76 C ATOM 1942 C ARG A 128 -9.354 -9.429 -10.354 1.00 1.02 C ATOM 1943 O ARG A 128 -8.182 -9.286 -10.644 1.00 1.16 O ATOM 1944 CB ARG A 128 -11.332 -10.906 -10.631 1.00 0.72 C ATOM 1945 CG ARG A 128 -11.380 -10.261 -12.022 1.00 1.08 C ATOM 1946 CD ARG A 128 -12.333 -9.063 -11.996 1.00 1.09 C ATOM 1947 NE ARG A 128 -13.484 -9.325 -12.907 1.00 1.56 N ATOM 1948 CZ ARG A 128 -13.467 -8.866 -14.128 1.00 1.67 C ATOM 1949 NH1 ARG A 128 -13.546 -7.581 -14.344 1.00 2.14 N ATOM 1950 NH2 ARG A 128 -13.373 -9.691 -15.135 1.00 2.22 N ATOM 0 H ARG A 128 -9.134 -10.633 -8.057 1.00 0.66 H new ATOM 0 HA ARG A 128 -9.320 -11.592 -10.458 1.00 0.76 H new ATOM 0 HB2 ARG A 128 -11.624 -11.954 -10.701 1.00 0.72 H new ATOM 0 HB3 ARG A 128 -12.052 -10.418 -9.974 1.00 0.72 H new ATOM 0 HG2 ARG A 128 -10.382 -9.939 -12.320 1.00 1.08 H new ATOM 0 HG3 ARG A 128 -11.714 -10.989 -12.761 1.00 1.08 H new ATOM 0 HD2 ARG A 128 -12.691 -8.891 -10.981 1.00 1.09 H new ATOM 0 HD3 ARG A 128 -11.808 -8.160 -12.306 1.00 1.09 H new ATOM 0 HE ARG A 128 -14.285 -9.863 -12.576 1.00 1.56 H new ATOM 0 HH11 ARG A 128 -13.621 -6.935 -13.558 1.00 2.14 H new ATOM 0 HH12 ARG A 128 -13.533 -7.223 -15.299 1.00 2.14 H new ATOM 0 HH21 ARG A 128 -13.313 -10.695 -14.968 1.00 2.22 H new ATOM 0 HH22 ARG A 128 -13.360 -9.331 -16.089 1.00 2.22 H new ATOM 1964 N ASP A 129 -10.174 -8.418 -10.306 1.00 1.35 N ATOM 1965 CA ASP A 129 -9.687 -7.043 -10.609 1.00 1.69 C ATOM 1966 C ASP A 129 -10.841 -6.050 -10.462 1.00 2.62 C ATOM 1967 O ASP A 129 -10.614 -4.985 -9.912 1.00 4.00 O ATOM 1968 CB ASP A 129 -9.152 -6.994 -12.042 1.00 2.66 C ATOM 1969 CG ASP A 129 -8.455 -5.654 -12.282 1.00 3.16 C ATOM 1970 OD1 ASP A 129 -7.950 -5.091 -11.324 1.00 3.70 O ATOM 1971 OD2 ASP A 129 -8.437 -5.213 -13.420 1.00 3.61 O ATOM 1972 OXT ASP A 129 -11.933 -6.372 -10.902 1.00 3.14 O ATOM 0 H ASP A 129 -11.164 -8.484 -10.069 1.00 1.35 H new ATOM 0 HA ASP A 129 -8.889 -6.780 -9.915 1.00 1.69 H new ATOM 0 HB2 ASP A 129 -8.454 -7.814 -12.209 1.00 2.66 H new ATOM 0 HB3 ASP A 129 -9.970 -7.123 -12.751 1.00 2.66 H new TER 1977 ASP A 129 CONECT 115 1817 CONECT 309 380 CONECT 380 309 CONECT 1083 1168 CONECT 1168 1083 CONECT 1817 115 END