USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 868 hydrogens (0 hets) HEADER HYDROLASE 08-JAN-02 1IT4 TITLE SOLUTION STRUCTURE OF THE PROKARYOTIC PHOSPHOLIPASE A2 FROM TITLE 2 STREPTOMYCES VIOLACEORUBER COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHOLIPASE A2; COMPND 3 CHAIN: A; COMPND 4 EC: 3.1.1.4; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VIOLACEORUBER; SOURCE 3 ORGANISM_TAXID: 1935; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PROKARYOTIC PLA2, HYDROLASE EXPDTA SOLUTION NMR AUTHOR K.OHTANI,M.SUGIYAMA,M.IZUHARA,T.KOIKE REVDAT 3 24-FEB-09 1IT4 1 VERSN REVDAT 2 01-APR-03 1IT4 1 JRNL REVDAT 1 04-SEP-02 1IT4 0 JRNL AUTH M.SUGIYAMA,K.OHTANI,M.IZUHARA,T.KOIKE,K.SUZUKI, JRNL AUTH 2 S.IMAMURA,H.MISAKI JRNL TITL A NOVEL PROKARYOTIC PHOSPHOLIPASE A2. JRNL TITL 2 CHARACTERIZATION, GENE CLONING, AND SOLUTION JRNL TITL 3 STRUCTURE. JRNL REF J.BIOL.CHEM. V. 277 20051 2002 JRNL REFN ISSN 0021-9258 JRNL PMID 11897786 JRNL DOI 10.1074/JBC.M200264200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1IT4 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-FEB-02. REMARK 100 THE RCSB ID CODE IS RCSB005253. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 28 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 LEU A 44 CB - CA - C ANGL. DEV. = 11.7 DEGREES REMARK 500 ARG A 63 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES REMARK 500 HIS A 64 ND1 - CE1 - NE2 ANGL. DEV. = 7.9 DEGREES REMARK 500 ARG A 69 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES REMARK 500 ASP A 78 CB - CA - C ANGL. DEV. = 12.1 DEGREES REMARK 500 ARG A 83 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 ARG A 94 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LEU A 44 -139.13 54.53 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 TYR A 114 0.08 SIDE_CHAIN REMARK 500 TYR A 115 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 200 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 65 OD1 REMARK 620 2 ASP A 65 OD2 49.7 REMARK 620 3 ASP A 43 OD1 99.0 82.2 REMARK 620 4 LEU A 44 O 134.4 86.3 83.7 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 200 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IT5 RELATED DB: PDB REMARK 900 1IT5 CONTAINS APO-TYPE PLA2 DBREF 1IT4 A 1 122 UNP Q9Z4W2 Q9Z4W2_STRCO 30 151 SEQRES 1 A 122 ALA PRO ALA ASP LYS PRO GLN VAL LEU ALA SER PHE THR SEQRES 2 A 122 GLN THR SER ALA SER SER GLN ASN ALA TRP LEU ALA ALA SEQRES 3 A 122 ASN ARG ASN GLN SER ALA TRP ALA ALA TYR GLU PHE ASP SEQRES 4 A 122 TRP SER THR ASP LEU CYS THR GLN ALA PRO ASP ASN PRO SEQRES 5 A 122 PHE GLY PHE PRO PHE ASN THR ALA CYS ALA ARG HIS ASP SEQRES 6 A 122 PHE GLY TYR ARG ASN TYR LYS ALA ALA GLY SER PHE ASP SEQRES 7 A 122 ALA ASN LYS SER ARG ILE ASP SER ALA PHE TYR GLU ASP SEQRES 8 A 122 MET LYS ARG VAL CYS THR GLY TYR THR GLY GLU LYS ASN SEQRES 9 A 122 THR ALA CYS ASN SER THR ALA TRP THR TYR TYR GLN ALA SEQRES 10 A 122 VAL LYS ILE PHE GLY HET CA A 200 1 HETNAM CA CALCIUM ION FORMUL 2 CA CA 2+ HELIX 1 1 ASP A 4 THR A 13 1 10 HELIX 2 2 SER A 16 ASN A 29 1 14 HELIX 3 3 GLN A 30 GLU A 37 5 8 HELIX 4 4 PHE A 57 GLY A 75 1 19 HELIX 5 5 SER A 76 THR A 97 1 22 HELIX 6 6 THR A 100 GLY A 122 1 23 SSBOND *** CYS A 45 CYS A 61 1555 1555 1.99 SSBOND *** CYS A 96 CYS A 107 1555 1555 2.00 LINK CA CA A 200 OD1 ASP A 65 1555 1555 2.49 LINK CA CA A 200 OD2 ASP A 65 1555 1555 2.49 LINK CA CA A 200 OD1 ASP A 43 1555 1555 2.34 LINK CA CA A 200 O LEU A 44 1555 1555 2.27 SITE *** AC1 3 ASP A 43 LEU A 44 ASP A 65 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 86 SER OG : rot 78:sc= 1.31 USER MOD Set 1.2: A 115 TYR OH : rot 30:sc= 1.37 USER MOD Set 1.3: A 119 LYS NZ :NH3+ -157:sc= 1.04 (180deg=0.256) USER MOD Set 2.1: A 68 TYR OH : rot 55:sc= 1.22 USER MOD Set 2.2: A 81 LYS NZ :NH3+ 178:sc= 1.44 (180deg=1.43) USER MOD Set 3.1: A 16 SER OG : rot 120:sc= 0.0165 USER MOD Set 3.2: A 18 SER OG : rot 180:sc=0.000282 USER MOD Single : A 1 ALA N :NH3+ 131:sc= 0.133 (180deg=0.00626) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 1.34 (180deg=1.31) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot -33:sc= 1.25 USER MOD Single : A 13 THR OG1 : rot -79:sc= 1.25 USER MOD Single : A 14 GLN : amide:sc= 0.571 K(o=0.57,f=-0.3) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 78:sc= 1.69 USER MOD Single : A 20 GLN : amide:sc= 0.809 K(o=0.81,f=-3.3!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0.04) USER MOD Single : A 29 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.38) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 156:sc= 1.29 USER MOD Single : A 41 SER OG : rot -49:sc= 1.2 USER MOD Single : A 42 THR OG1 : rot 55:sc= 1.25 USER MOD Single : A 46 THR OG1 : rot 108:sc= 1.18 USER MOD Single : A 47 GLN : amide:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.276 K(o=0.28,f=-2.3!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0.489 K(o=0.49,f=-5.1!) USER MOD Single : A 70 ASN : amide:sc= 1.77 K(o=1.8,f=-4.3!) USER MOD Single : A 71 TYR OH : rot 110:sc= 0.0719 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 1.47 K(o=1.5,f=-5.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -167:sc=-0.00212 (180deg=-0.465) USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= 0.617 (180deg=0.137!) USER MOD Single : A 97 THR OG1 : rot 61:sc= 0.465 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 103 LYS NZ :NH3+ -137:sc= -0.0111 (180deg=-1.32) USER MOD Single : A 104 ASN : amide:sc= 0.442 X(o=0.44,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 70:sc= 0.186 USER MOD Single : A 113 THR OG1 : rot 80:sc= 0.54 USER MOD Single : A 114 TYR OH : rot -38:sc= 1.22 USER MOD Single : A 116 GLN : amide:sc= 0.0493 X(o=0.049,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.233 -1.534 16.307 1.00 56.35 N ATOM 2 CA ALA A 1 15.743 -1.344 17.659 1.00 51.51 C ATOM 3 C ALA A 1 16.275 -2.644 18.235 1.00 45.66 C ATOM 4 O ALA A 1 15.758 -3.682 17.787 1.00 49.49 O ATOM 5 CB ALA A 1 14.512 -0.876 18.465 1.00 71.43 C ATOM 0 H1 ALA A 1 14.287 -1.108 16.230 1.00 56.35 H new ATOM 0 H2 ALA A 1 15.874 -1.079 15.627 1.00 56.35 H new ATOM 0 H3 ALA A 1 15.173 -2.551 16.098 1.00 56.35 H new ATOM 0 HA ALA A 1 16.570 -0.634 17.686 1.00 51.51 H new ATOM 0 HB1 ALA A 1 14.800 -0.706 19.503 1.00 71.43 H new ATOM 0 HB2 ALA A 1 14.129 0.051 18.038 1.00 71.43 H new ATOM 0 HB3 ALA A 1 13.738 -1.642 18.424 1.00 71.43 H new ATOM 13 N PRO A 2 17.228 -2.541 19.161 1.00 35.89 N ATOM 14 CA PRO A 2 17.721 -3.707 19.895 1.00 36.34 C ATOM 15 C PRO A 2 16.589 -4.345 20.686 1.00 41.00 C ATOM 16 O PRO A 2 15.652 -3.714 21.175 1.00 38.18 O ATOM 17 CB PRO A 2 18.818 -3.145 20.828 1.00 33.02 C ATOM 18 CG PRO A 2 19.288 -1.865 20.153 1.00 36.36 C ATOM 19 CD PRO A 2 18.020 -1.325 19.502 1.00 35.69 C ATOM 0 HA PRO A 2 18.112 -4.486 19.241 1.00 36.34 H new ATOM 0 HB2 PRO A 2 18.424 -2.945 21.825 1.00 33.02 H new ATOM 0 HB3 PRO A 2 19.638 -3.854 20.946 1.00 33.02 H new ATOM 0 HG2 PRO A 2 19.702 -1.159 20.873 1.00 36.36 H new ATOM 0 HG3 PRO A 2 20.066 -2.062 19.416 1.00 36.36 H new ATOM 0 HD2 PRO A 2 17.472 -0.672 20.182 1.00 35.69 H new ATOM 0 HD3 PRO A 2 18.249 -0.738 18.612 1.00 35.69 H new ATOM 27 N ALA A 3 16.658 -5.656 20.838 1.00 45.62 N ATOM 28 CA ALA A 3 15.607 -6.375 21.549 1.00 47.64 C ATOM 29 C ALA A 3 15.560 -6.057 23.043 1.00 44.91 C ATOM 30 O ALA A 3 14.533 -6.388 23.649 1.00 44.94 O ATOM 31 CB ALA A 3 15.856 -7.870 21.265 1.00 47.55 C ATOM 0 H ALA A 3 17.417 -6.240 20.486 1.00 45.62 H new ATOM 0 HA ALA A 3 14.624 -6.065 21.196 1.00 47.64 H new ATOM 0 HB1 ALA A 3 15.099 -8.468 21.772 1.00 47.55 H new ATOM 0 HB2 ALA A 3 15.802 -8.050 20.191 1.00 47.55 H new ATOM 0 HB3 ALA A 3 16.844 -8.150 21.631 1.00 47.55 H new ATOM 37 N ASP A 4 16.574 -5.466 23.683 1.00 41.13 N ATOM 38 CA ASP A 4 16.376 -5.126 25.097 1.00 33.20 C ATOM 39 C ASP A 4 15.909 -3.678 25.273 1.00 29.69 C ATOM 40 O ASP A 4 15.935 -3.139 26.376 1.00 32.22 O ATOM 41 CB ASP A 4 17.797 -5.344 25.726 1.00 35.48 C ATOM 42 CG ASP A 4 18.977 -4.517 25.165 1.00 37.09 C ATOM 43 OD1 ASP A 4 19.440 -4.821 24.045 1.00 47.63 O ATOM 44 OD2 ASP A 4 19.413 -3.546 25.813 1.00 44.06 O ATOM 0 H ASP A 4 17.480 -5.226 23.281 1.00 41.13 H new ATOM 0 HA ASP A 4 15.602 -5.731 25.568 1.00 33.20 H new ATOM 0 HB2 ASP A 4 17.724 -5.138 26.794 1.00 35.48 H new ATOM 0 HB3 ASP A 4 18.050 -6.399 25.621 1.00 35.48 H new ATOM 49 N LYS A 5 15.453 -3.024 24.200 1.00 32.97 N ATOM 50 CA LYS A 5 14.979 -1.645 24.327 1.00 35.53 C ATOM 51 C LYS A 5 13.884 -1.513 25.374 1.00 35.39 C ATOM 52 O LYS A 5 13.935 -0.562 26.162 1.00 29.40 O ATOM 53 CB LYS A 5 14.668 -1.008 22.929 1.00 38.08 C ATOM 54 CG LYS A 5 14.212 0.482 22.962 1.00 34.76 C ATOM 55 CD LYS A 5 13.920 1.101 21.574 1.00 32.41 C ATOM 56 CE LYS A 5 13.485 2.578 21.669 1.00 30.84 C ATOM 57 NZ LYS A 5 13.165 3.154 20.323 1.00 33.36 N ATOM 0 H LYS A 5 15.403 -3.415 23.259 1.00 32.97 H new ATOM 0 HA LYS A 5 15.790 -1.033 24.723 1.00 35.53 H new ATOM 0 HB2 LYS A 5 15.560 -1.084 22.307 1.00 38.08 H new ATOM 0 HB3 LYS A 5 13.890 -1.598 22.444 1.00 38.08 H new ATOM 0 HG2 LYS A 5 13.314 0.559 23.575 1.00 34.76 H new ATOM 0 HG3 LYS A 5 14.985 1.073 23.453 1.00 34.76 H new ATOM 0 HD2 LYS A 5 14.812 1.027 20.951 1.00 32.41 H new ATOM 0 HD3 LYS A 5 13.137 0.526 21.080 1.00 32.41 H new ATOM 0 HE2 LYS A 5 12.611 2.658 22.315 1.00 30.84 H new ATOM 0 HE3 LYS A 5 14.280 3.161 22.134 1.00 30.84 H new ATOM 0 HZ1 LYS A 5 12.959 4.169 20.420 1.00 33.36 H new ATOM 0 HZ2 LYS A 5 13.978 3.024 19.688 1.00 33.36 H new ATOM 0 HZ3 LYS A 5 12.335 2.669 19.926 1.00 33.36 H new ATOM 71 N PRO A 6 12.879 -2.362 25.411 1.00 33.22 N ATOM 72 CA PRO A 6 11.870 -2.217 26.485 1.00 31.15 C ATOM 73 C PRO A 6 12.430 -2.285 27.887 1.00 30.04 C ATOM 74 O PRO A 6 11.897 -1.571 28.768 1.00 29.71 O ATOM 75 CB PRO A 6 10.852 -3.332 26.157 1.00 30.07 C ATOM 76 CG PRO A 6 11.001 -3.568 24.654 1.00 31.98 C ATOM 77 CD PRO A 6 12.499 -3.395 24.411 1.00 32.59 C ATOM 0 HA PRO A 6 11.419 -1.225 26.496 1.00 31.15 H new ATOM 0 HB2 PRO A 6 11.063 -4.239 26.723 1.00 30.07 H new ATOM 0 HB3 PRO A 6 9.837 -3.028 26.411 1.00 30.07 H new ATOM 0 HG2 PRO A 6 10.661 -4.563 24.369 1.00 31.98 H new ATOM 0 HG3 PRO A 6 10.416 -2.853 24.076 1.00 31.98 H new ATOM 0 HD2 PRO A 6 13.044 -4.326 24.565 1.00 32.59 H new ATOM 0 HD3 PRO A 6 12.708 -3.068 23.392 1.00 32.59 H new ATOM 85 N GLN A 7 13.454 -3.094 28.103 1.00 27.37 N ATOM 86 CA GLN A 7 14.005 -3.189 29.449 1.00 30.17 C ATOM 87 C GLN A 7 14.786 -1.936 29.813 1.00 29.60 C ATOM 88 O GLN A 7 14.847 -1.423 30.934 1.00 29.10 O ATOM 89 CB GLN A 7 14.849 -4.496 29.568 1.00 36.39 C ATOM 90 CG GLN A 7 14.064 -5.838 29.675 1.00 46.32 C ATOM 91 CD GLN A 7 13.342 -6.344 28.421 1.00 54.14 C ATOM 92 OE1 GLN A 7 12.132 -6.230 28.269 1.00 72.90 O ATOM 93 NE2 GLN A 7 14.045 -6.936 27.492 1.00 43.74 N ATOM 0 H GLN A 7 13.907 -3.674 27.397 1.00 27.37 H new ATOM 0 HA GLN A 7 13.196 -3.251 30.176 1.00 30.17 H new ATOM 0 HB2 GLN A 7 15.505 -4.556 28.700 1.00 36.39 H new ATOM 0 HB3 GLN A 7 15.489 -4.407 30.446 1.00 36.39 H new ATOM 0 HG2 GLN A 7 14.763 -6.611 29.994 1.00 46.32 H new ATOM 0 HG3 GLN A 7 13.324 -5.731 30.468 1.00 46.32 H new ATOM 0 HE21 GLN A 7 15.054 -7.039 27.603 1.00 43.74 H new ATOM 0 HE22 GLN A 7 13.585 -7.295 26.655 1.00 43.74 H new ATOM 102 N VAL A 8 15.469 -1.441 28.782 1.00 26.30 N ATOM 103 CA VAL A 8 16.261 -0.239 29.002 1.00 24.54 C ATOM 104 C VAL A 8 15.301 0.912 29.328 1.00 23.85 C ATOM 105 O VAL A 8 15.540 1.686 30.271 1.00 29.47 O ATOM 106 CB VAL A 8 17.270 0.020 27.826 1.00 27.12 C ATOM 107 CG1 VAL A 8 18.025 1.366 27.933 1.00 28.97 C ATOM 108 CG2 VAL A 8 18.367 -1.066 27.721 1.00 33.86 C ATOM 0 H VAL A 8 15.491 -1.828 27.839 1.00 26.30 H new ATOM 0 HA VAL A 8 16.921 -0.351 29.862 1.00 24.54 H new ATOM 0 HB VAL A 8 16.622 0.016 26.950 1.00 27.12 H new ATOM 0 HG11 VAL A 8 18.702 1.472 27.085 1.00 28.97 H new ATOM 0 HG12 VAL A 8 17.308 2.187 27.929 1.00 28.97 H new ATOM 0 HG13 VAL A 8 18.598 1.389 28.860 1.00 28.97 H new ATOM 0 HG21 VAL A 8 19.033 -0.832 26.890 1.00 33.86 H new ATOM 0 HG22 VAL A 8 18.940 -1.095 28.648 1.00 33.86 H new ATOM 0 HG23 VAL A 8 17.902 -2.037 27.551 1.00 33.86 H new ATOM 118 N LEU A 9 14.255 0.941 28.506 1.00 22.11 N ATOM 119 CA LEU A 9 13.267 2.039 28.662 1.00 24.60 C ATOM 120 C LEU A 9 12.679 2.016 30.076 1.00 30.37 C ATOM 121 O LEU A 9 12.494 2.989 30.843 1.00 24.18 O ATOM 122 CB LEU A 9 12.232 1.976 27.504 1.00 22.70 C ATOM 123 CG LEU A 9 11.160 3.095 27.473 1.00 24.69 C ATOM 124 CD1 LEU A 9 11.731 4.521 27.458 1.00 25.51 C ATOM 125 CD2 LEU A 9 10.211 2.911 26.279 1.00 31.00 C ATOM 0 H LEU A 9 14.063 0.268 27.764 1.00 22.11 H new ATOM 0 HA LEU A 9 13.740 3.017 28.572 1.00 24.60 H new ATOM 0 HB2 LEU A 9 12.775 1.998 26.559 1.00 22.70 H new ATOM 0 HB3 LEU A 9 11.721 1.015 27.555 1.00 22.70 H new ATOM 0 HG LEU A 9 10.615 2.989 28.411 1.00 24.69 H new ATOM 0 HD11 LEU A 9 10.912 5.240 27.436 1.00 25.51 H new ATOM 0 HD12 LEU A 9 12.332 4.682 28.353 1.00 25.51 H new ATOM 0 HD13 LEU A 9 12.354 4.654 26.574 1.00 25.51 H new ATOM 0 HD21 LEU A 9 9.468 3.708 26.279 1.00 31.00 H new ATOM 0 HD22 LEU A 9 10.782 2.947 25.351 1.00 31.00 H new ATOM 0 HD23 LEU A 9 9.709 1.947 26.359 1.00 31.00 H new ATOM 137 N ALA A 10 12.346 0.805 30.527 1.00 27.64 N ATOM 138 CA ALA A 10 11.785 0.637 31.874 1.00 29.07 C ATOM 139 C ALA A 10 12.799 1.036 32.921 1.00 29.07 C ATOM 140 O ALA A 10 12.445 1.649 33.935 1.00 28.72 O ATOM 141 CB ALA A 10 11.295 -0.821 31.981 1.00 31.52 C ATOM 0 H ALA A 10 12.451 -0.059 29.994 1.00 27.64 H new ATOM 0 HA ALA A 10 10.934 1.294 32.053 1.00 29.07 H new ATOM 0 HB1 ALA A 10 10.869 -0.990 32.970 1.00 31.52 H new ATOM 0 HB2 ALA A 10 10.535 -1.006 31.222 1.00 31.52 H new ATOM 0 HB3 ALA A 10 12.134 -1.499 31.827 1.00 31.52 H new ATOM 147 N SER A 11 14.053 0.721 32.679 1.00 26.66 N ATOM 148 CA SER A 11 15.067 1.034 33.683 1.00 29.64 C ATOM 149 C SER A 11 15.236 2.526 33.827 1.00 31.36 C ATOM 150 O SER A 11 15.714 2.884 34.907 1.00 26.50 O ATOM 151 CB SER A 11 16.385 0.290 33.344 1.00 29.52 C ATOM 152 OG SER A 11 17.092 0.856 32.235 1.00 37.03 O ATOM 0 H SER A 11 14.394 0.266 31.832 1.00 26.66 H new ATOM 0 HA SER A 11 14.744 0.678 34.661 1.00 29.64 H new ATOM 0 HB2 SER A 11 17.033 0.298 34.220 1.00 29.52 H new ATOM 0 HB3 SER A 11 16.158 -0.753 33.125 1.00 29.52 H new ATOM 0 HG SER A 11 16.451 1.225 31.592 1.00 37.03 H new ATOM 158 N PHE A 12 14.893 3.354 32.829 1.00 23.99 N ATOM 159 CA PHE A 12 15.112 4.791 32.963 1.00 22.59 C ATOM 160 C PHE A 12 13.917 5.556 33.537 1.00 28.73 C ATOM 161 O PHE A 12 14.040 6.782 33.706 1.00 26.36 O ATOM 162 CB PHE A 12 15.476 5.323 31.538 1.00 25.20 C ATOM 163 CG PHE A 12 16.844 5.002 30.891 1.00 26.77 C ATOM 164 CD1 PHE A 12 17.968 4.586 31.618 1.00 26.98 C ATOM 165 CD2 PHE A 12 16.972 5.214 29.512 1.00 33.56 C ATOM 166 CE1 PHE A 12 19.185 4.368 30.975 1.00 33.78 C ATOM 167 CE2 PHE A 12 18.191 5.006 28.872 1.00 30.64 C ATOM 168 CZ PHE A 12 19.291 4.574 29.603 1.00 29.48 C ATOM 0 H PHE A 12 14.475 3.059 31.946 1.00 23.99 H new ATOM 0 HA PHE A 12 15.913 4.957 33.683 1.00 22.59 H new ATOM 0 HB2 PHE A 12 14.708 4.959 30.856 1.00 25.20 H new ATOM 0 HB3 PHE A 12 15.385 6.409 31.570 1.00 25.20 H new ATOM 0 HD1 PHE A 12 17.890 4.433 32.684 1.00 26.98 H new ATOM 0 HD2 PHE A 12 16.117 5.542 28.940 1.00 33.56 H new ATOM 0 HE1 PHE A 12 20.044 4.040 31.541 1.00 33.78 H new ATOM 0 HE2 PHE A 12 18.281 5.180 27.810 1.00 30.64 H new ATOM 0 HZ PHE A 12 20.232 4.397 29.104 1.00 29.48 H new ATOM 178 N THR A 13 12.817 4.837 33.770 1.00 25.27 N ATOM 179 CA THR A 13 11.561 5.478 34.159 1.00 25.41 C ATOM 180 C THR A 13 10.889 4.871 35.384 1.00 22.39 C ATOM 181 O THR A 13 9.689 4.846 35.435 1.00 23.33 O ATOM 182 CB THR A 13 10.625 5.463 32.887 1.00 24.38 C ATOM 183 OG1 THR A 13 10.427 4.133 32.408 1.00 26.89 O ATOM 184 CG2 THR A 13 11.081 6.301 31.678 1.00 24.30 C ATOM 0 H THR A 13 12.771 3.821 33.697 1.00 25.27 H new ATOM 0 HA THR A 13 11.772 6.498 34.481 1.00 25.41 H new ATOM 0 HB THR A 13 9.714 5.922 33.270 1.00 24.38 H new ATOM 0 HG1 THR A 13 11.213 3.849 31.896 1.00 26.89 H new ATOM 0 HG21 THR A 13 10.352 6.205 30.873 1.00 24.30 H new ATOM 0 HG22 THR A 13 11.163 7.348 31.971 1.00 24.30 H new ATOM 0 HG23 THR A 13 12.051 5.944 31.333 1.00 24.30 H new ATOM 192 N GLN A 14 11.622 4.340 36.329 1.00 24.43 N ATOM 193 CA GLN A 14 11.127 3.878 37.619 1.00 24.22 C ATOM 194 C GLN A 14 11.083 5.060 38.552 1.00 24.03 C ATOM 195 O GLN A 14 11.747 6.085 38.272 1.00 26.18 O ATOM 196 CB GLN A 14 11.956 2.679 38.174 1.00 24.05 C ATOM 197 CG GLN A 14 12.073 1.400 37.306 1.00 28.26 C ATOM 198 CD GLN A 14 10.759 0.688 36.969 1.00 30.14 C ATOM 199 OE1 GLN A 14 9.893 0.453 37.803 1.00 34.59 O ATOM 200 NE2 GLN A 14 10.564 0.299 35.740 1.00 32.24 N ATOM 0 H GLN A 14 12.628 4.208 36.224 1.00 24.43 H new ATOM 0 HA GLN A 14 10.118 3.479 37.512 1.00 24.22 H new ATOM 0 HB2 GLN A 14 12.966 3.038 38.375 1.00 24.05 H new ATOM 0 HB3 GLN A 14 11.524 2.392 39.132 1.00 24.05 H new ATOM 0 HG2 GLN A 14 12.569 1.664 36.372 1.00 28.26 H new ATOM 0 HG3 GLN A 14 12.723 0.694 37.823 1.00 28.26 H new ATOM 0 HE21 GLN A 14 11.271 0.484 35.028 1.00 32.24 H new ATOM 0 HE22 GLN A 14 9.704 -0.190 35.490 1.00 32.24 H new ATOM 209 N THR A 15 10.412 4.924 39.693 1.00 27.69 N ATOM 210 CA THR A 15 10.370 6.083 40.590 1.00 25.51 C ATOM 211 C THR A 15 11.596 6.338 41.431 1.00 28.89 C ATOM 212 O THR A 15 11.689 7.410 42.058 1.00 28.25 O ATOM 213 CB THR A 15 9.087 5.945 41.479 1.00 23.25 C ATOM 214 OG1 THR A 15 9.233 4.909 42.444 1.00 30.80 O ATOM 215 CG2 THR A 15 7.726 5.706 40.800 1.00 33.07 C ATOM 0 H THR A 15 9.921 4.087 40.007 1.00 27.69 H new ATOM 0 HA THR A 15 10.342 6.966 39.952 1.00 25.51 H new ATOM 0 HB THR A 15 9.040 6.951 41.897 1.00 23.25 H new ATOM 0 HG1 THR A 15 8.418 4.848 42.984 1.00 30.80 H new ATOM 0 HG21 THR A 15 6.948 5.635 41.560 1.00 33.07 H new ATOM 0 HG22 THR A 15 7.503 6.536 40.129 1.00 33.07 H new ATOM 0 HG23 THR A 15 7.762 4.778 40.230 1.00 33.07 H new ATOM 223 N SER A 16 12.551 5.409 41.504 1.00 24.32 N ATOM 224 CA SER A 16 13.665 5.546 42.417 1.00 25.67 C ATOM 225 C SER A 16 14.699 6.559 41.965 1.00 28.96 C ATOM 226 O SER A 16 14.853 6.887 40.762 1.00 28.02 O ATOM 227 CB SER A 16 14.264 4.126 42.633 1.00 26.20 C ATOM 228 OG SER A 16 14.934 3.619 41.471 1.00 37.67 O ATOM 0 H SER A 16 12.567 4.559 40.940 1.00 24.32 H new ATOM 0 HA SER A 16 13.309 5.952 43.364 1.00 25.67 H new ATOM 0 HB2 SER A 16 14.966 4.156 43.466 1.00 26.20 H new ATOM 0 HB3 SER A 16 13.465 3.439 42.914 1.00 26.20 H new ATOM 0 HG SER A 16 15.874 3.445 41.685 1.00 37.67 H new ATOM 234 N ALA A 17 15.485 7.083 42.926 1.00 20.63 N ATOM 235 CA ALA A 17 16.636 7.889 42.644 1.00 27.64 C ATOM 236 C ALA A 17 17.654 7.116 41.756 1.00 27.42 C ATOM 237 O ALA A 17 18.217 7.776 40.860 1.00 26.28 O ATOM 238 CB ALA A 17 17.246 8.310 43.994 1.00 26.10 C ATOM 0 H ALA A 17 15.317 6.943 43.922 1.00 20.63 H new ATOM 0 HA ALA A 17 16.357 8.777 42.076 1.00 27.64 H new ATOM 0 HB1 ALA A 17 18.127 8.927 43.818 1.00 26.10 H new ATOM 0 HB2 ALA A 17 16.512 8.880 44.563 1.00 26.10 H new ATOM 0 HB3 ALA A 17 17.531 7.421 44.557 1.00 26.10 H new ATOM 244 N SER A 18 17.878 5.810 41.993 1.00 27.07 N ATOM 245 CA SER A 18 18.876 5.260 41.046 1.00 26.06 C ATOM 246 C SER A 18 18.348 5.191 39.616 1.00 25.21 C ATOM 247 O SER A 18 19.158 5.245 38.695 1.00 28.69 O ATOM 248 CB SER A 18 19.287 3.862 41.577 1.00 31.88 C ATOM 249 OG SER A 18 18.204 2.924 41.557 1.00 37.13 O ATOM 0 H SER A 18 17.468 5.200 42.700 1.00 27.07 H new ATOM 0 HA SER A 18 19.742 5.920 40.995 1.00 26.06 H new ATOM 0 HB2 SER A 18 20.108 3.476 40.974 1.00 31.88 H new ATOM 0 HB3 SER A 18 19.659 3.960 42.597 1.00 31.88 H new ATOM 0 HG SER A 18 18.514 2.059 41.899 1.00 37.13 H new ATOM 255 N SER A 19 17.059 5.023 39.376 1.00 25.12 N ATOM 256 CA SER A 19 16.543 5.100 38.004 1.00 28.66 C ATOM 257 C SER A 19 16.680 6.536 37.467 1.00 32.16 C ATOM 258 O SER A 19 17.150 6.773 36.369 1.00 26.09 O ATOM 259 CB SER A 19 15.104 4.557 37.983 1.00 23.52 C ATOM 260 OG SER A 19 14.574 4.543 36.655 1.00 25.59 O ATOM 0 H SER A 19 16.356 4.836 40.091 1.00 25.12 H new ATOM 0 HA SER A 19 17.128 4.477 37.328 1.00 28.66 H new ATOM 0 HB2 SER A 19 15.088 3.548 38.394 1.00 23.52 H new ATOM 0 HB3 SER A 19 14.471 5.172 38.623 1.00 23.52 H new ATOM 0 HG SER A 19 14.937 3.775 36.166 1.00 25.59 H new ATOM 266 N GLN A 20 16.287 7.574 38.232 1.00 27.98 N ATOM 267 CA GLN A 20 16.519 8.958 37.805 1.00 26.10 C ATOM 268 C GLN A 20 17.983 9.209 37.451 1.00 27.44 C ATOM 269 O GLN A 20 18.397 9.914 36.536 1.00 24.29 O ATOM 270 CB GLN A 20 16.022 9.927 38.919 1.00 23.19 C ATOM 271 CG GLN A 20 16.021 11.436 38.527 1.00 27.40 C ATOM 272 CD GLN A 20 15.771 12.435 39.663 1.00 29.67 C ATOM 273 OE1 GLN A 20 15.653 12.109 40.839 1.00 25.33 O ATOM 274 NE2 GLN A 20 15.676 13.700 39.348 1.00 24.41 N ATOM 0 H GLN A 20 15.816 7.479 39.132 1.00 27.98 H new ATOM 0 HA GLN A 20 15.952 9.143 36.893 1.00 26.10 H new ATOM 0 HB2 GLN A 20 15.010 9.640 39.204 1.00 23.19 H new ATOM 0 HB3 GLN A 20 16.650 9.796 39.800 1.00 23.19 H new ATOM 0 HG2 GLN A 20 16.983 11.671 38.071 1.00 27.40 H new ATOM 0 HG3 GLN A 20 15.259 11.590 37.763 1.00 27.40 H new ATOM 0 HE21 GLN A 20 15.771 13.992 38.375 1.00 24.41 H new ATOM 0 HE22 GLN A 20 15.507 14.395 40.075 1.00 24.41 H new ATOM 283 N ASN A 21 18.916 8.636 38.233 1.00 27.90 N ATOM 284 CA ASN A 21 20.331 8.893 38.031 1.00 29.84 C ATOM 285 C ASN A 21 20.784 8.122 36.783 1.00 27.82 C ATOM 286 O ASN A 21 21.620 8.595 36.017 1.00 32.06 O ATOM 287 CB ASN A 21 21.141 8.532 39.305 1.00 33.42 C ATOM 288 CG ASN A 21 20.986 9.487 40.495 1.00 38.22 C ATOM 289 OD1 ASN A 21 20.213 10.437 40.514 1.00 36.85 O ATOM 290 ND2 ASN A 21 21.747 9.278 41.536 1.00 45.98 N ATOM 0 H ASN A 21 18.706 7.999 39.001 1.00 27.90 H new ATOM 0 HA ASN A 21 20.514 9.954 37.860 1.00 29.84 H new ATOM 0 HB2 ASN A 21 20.848 7.533 39.626 1.00 33.42 H new ATOM 0 HB3 ASN A 21 22.197 8.484 39.038 1.00 33.42 H new ATOM 0 HD21 ASN A 21 21.690 9.900 42.343 1.00 45.98 H new ATOM 0 HD22 ASN A 21 22.398 8.493 41.542 1.00 45.98 H new ATOM 297 N ALA A 22 20.218 6.919 36.598 1.00 27.94 N ATOM 298 CA ALA A 22 20.645 6.189 35.386 1.00 25.83 C ATOM 299 C ALA A 22 20.228 6.989 34.166 1.00 27.36 C ATOM 300 O ALA A 22 20.997 7.036 33.200 1.00 31.90 O ATOM 301 CB ALA A 22 20.036 4.774 35.457 1.00 23.37 C ATOM 0 H ALA A 22 19.533 6.463 37.200 1.00 27.94 H new ATOM 0 HA ALA A 22 21.726 6.072 35.316 1.00 25.83 H new ATOM 0 HB1 ALA A 22 20.332 4.206 34.575 1.00 23.37 H new ATOM 0 HB2 ALA A 22 20.396 4.267 36.353 1.00 23.37 H new ATOM 0 HB3 ALA A 22 18.949 4.847 35.494 1.00 23.37 H new ATOM 307 N TRP A 23 19.038 7.586 34.246 1.00 24.61 N ATOM 308 CA TRP A 23 18.593 8.414 33.104 1.00 22.27 C ATOM 309 C TRP A 23 19.443 9.643 32.982 1.00 27.00 C ATOM 310 O TRP A 23 19.805 10.018 31.815 1.00 25.87 O ATOM 311 CB TRP A 23 17.084 8.740 33.287 1.00 22.88 C ATOM 312 CG TRP A 23 16.515 9.644 32.179 1.00 24.88 C ATOM 313 CD1 TRP A 23 16.205 9.229 30.872 1.00 26.54 C ATOM 314 CD2 TRP A 23 16.427 11.034 32.157 1.00 28.20 C ATOM 315 NE1 TRP A 23 15.894 10.319 30.050 1.00 28.58 N ATOM 316 CE2 TRP A 23 16.035 11.422 30.855 1.00 30.99 C ATOM 317 CE3 TRP A 23 16.714 12.020 33.139 1.00 30.69 C ATOM 318 CZ2 TRP A 23 15.895 12.787 30.526 1.00 32.48 C ATOM 319 CZ3 TRP A 23 16.561 13.366 32.795 1.00 35.45 C ATOM 320 CH2 TRP A 23 16.159 13.743 31.509 1.00 33.73 C ATOM 0 H TRP A 23 18.393 7.525 35.034 1.00 24.61 H new ATOM 0 HA TRP A 23 18.712 7.870 32.167 1.00 22.27 H new ATOM 0 HB2 TRP A 23 16.519 7.808 33.311 1.00 22.88 H new ATOM 0 HB3 TRP A 23 16.939 9.226 34.252 1.00 22.88 H new ATOM 0 HD1 TRP A 23 16.207 8.200 30.544 1.00 26.54 H new ATOM 0 HE1 TRP A 23 15.622 10.298 29.067 1.00 28.58 H new ATOM 0 HE3 TRP A 23 17.043 11.736 34.128 1.00 30.69 H new ATOM 0 HZ2 TRP A 23 15.590 13.086 29.534 1.00 32.48 H new ATOM 0 HZ3 TRP A 23 16.756 14.128 33.535 1.00 35.45 H new ATOM 0 HH2 TRP A 23 16.051 14.791 31.273 1.00 33.73 H new ATOM 331 N LEU A 24 19.842 10.289 34.077 1.00 24.58 N ATOM 332 CA LEU A 24 20.644 11.504 33.835 1.00 25.84 C ATOM 333 C LEU A 24 21.975 11.224 33.149 1.00 27.97 C ATOM 334 O LEU A 24 22.490 11.974 32.310 1.00 32.59 O ATOM 335 CB LEU A 24 20.847 12.233 35.202 1.00 29.39 C ATOM 336 CG LEU A 24 19.609 12.954 35.784 1.00 38.35 C ATOM 337 CD1 LEU A 24 19.800 13.273 37.276 1.00 42.80 C ATOM 338 CD2 LEU A 24 19.311 14.252 35.025 1.00 32.85 C ATOM 0 H LEU A 24 19.654 10.035 35.047 1.00 24.58 H new ATOM 0 HA LEU A 24 20.100 12.143 33.139 1.00 25.84 H new ATOM 0 HB2 LEU A 24 21.191 11.501 35.932 1.00 29.39 H new ATOM 0 HB3 LEU A 24 21.646 12.965 35.084 1.00 29.39 H new ATOM 0 HG LEU A 24 18.765 12.274 35.670 1.00 38.35 H new ATOM 0 HD11 LEU A 24 18.913 13.780 37.656 1.00 42.80 H new ATOM 0 HD12 LEU A 24 19.954 12.347 37.829 1.00 42.80 H new ATOM 0 HD13 LEU A 24 20.669 13.919 37.402 1.00 42.80 H new ATOM 0 HD21 LEU A 24 18.435 14.734 35.459 1.00 32.85 H new ATOM 0 HD22 LEU A 24 20.168 14.922 35.099 1.00 32.85 H new ATOM 0 HD23 LEU A 24 19.118 14.024 33.977 1.00 32.85 H new ATOM 350 N ALA A 25 22.525 10.090 33.559 1.00 27.55 N ATOM 351 CA ALA A 25 23.804 9.770 32.960 1.00 30.41 C ATOM 352 C ALA A 25 23.654 9.509 31.464 1.00 33.80 C ATOM 353 O ALA A 25 24.536 9.907 30.708 1.00 32.81 O ATOM 354 CB ALA A 25 24.361 8.568 33.751 1.00 31.42 C ATOM 0 H ALA A 25 22.147 9.432 34.240 1.00 27.55 H new ATOM 0 HA ALA A 25 24.509 10.599 33.021 1.00 30.41 H new ATOM 0 HB1 ALA A 25 25.330 8.281 33.342 1.00 31.42 H new ATOM 0 HB2 ALA A 25 24.477 8.844 34.799 1.00 31.42 H new ATOM 0 HB3 ALA A 25 23.670 7.729 33.672 1.00 31.42 H new ATOM 360 N ALA A 26 22.580 8.815 31.081 1.00 31.23 N ATOM 361 CA ALA A 26 22.344 8.525 29.660 1.00 32.80 C ATOM 362 C ALA A 26 22.010 9.811 28.890 1.00 33.43 C ATOM 363 O ALA A 26 22.465 10.006 27.757 1.00 35.78 O ATOM 364 CB ALA A 26 21.221 7.472 29.642 1.00 34.38 C ATOM 0 H ALA A 26 21.872 8.449 31.717 1.00 31.23 H new ATOM 0 HA ALA A 26 23.225 8.132 29.152 1.00 32.80 H new ATOM 0 HB1 ALA A 26 20.989 7.205 28.611 1.00 34.38 H new ATOM 0 HB2 ALA A 26 21.547 6.583 30.183 1.00 34.38 H new ATOM 0 HB3 ALA A 26 20.331 7.881 30.120 1.00 34.38 H new ATOM 370 N ASN A 27 21.255 10.722 29.489 1.00 29.91 N ATOM 371 CA ASN A 27 20.875 11.992 28.883 1.00 28.57 C ATOM 372 C ASN A 27 22.117 12.821 28.543 1.00 33.76 C ATOM 373 O ASN A 27 22.073 13.485 27.498 1.00 40.55 O ATOM 374 CB ASN A 27 19.846 12.680 29.819 1.00 30.12 C ATOM 375 CG ASN A 27 19.145 13.888 29.203 1.00 39.82 C ATOM 376 OD1 ASN A 27 18.222 13.770 28.410 1.00 38.19 O ATOM 377 ND2 ASN A 27 19.552 15.088 29.519 1.00 55.71 N ATOM 0 H ASN A 27 20.881 10.596 30.430 1.00 29.91 H new ATOM 0 HA ASN A 27 20.382 11.855 27.921 1.00 28.57 H new ATOM 0 HB2 ASN A 27 19.093 11.948 30.112 1.00 30.12 H new ATOM 0 HB3 ASN A 27 20.355 12.996 30.730 1.00 30.12 H new ATOM 0 HD21 ASN A 27 19.101 15.905 29.106 1.00 55.71 H new ATOM 0 HD22 ASN A 27 20.321 15.209 30.179 1.00 55.71 H new ATOM 384 N ARG A 28 23.137 12.728 29.396 1.00 33.78 N ATOM 385 CA ARG A 28 24.451 13.336 29.301 1.00 38.53 C ATOM 386 C ARG A 28 25.300 12.715 28.179 1.00 38.19 C ATOM 387 O ARG A 28 26.218 13.356 27.685 1.00 36.76 O ATOM 388 CB ARG A 28 25.136 13.384 30.695 1.00 49.92 C ATOM 389 CG ARG A 28 24.569 14.484 31.637 1.00 60.87 C ATOM 390 CD ARG A 28 25.184 14.521 33.049 1.00 68.83 C ATOM 391 NE ARG A 28 24.631 13.407 33.872 1.00 75.22 N ATOM 392 CZ ARG A 28 25.010 13.092 35.104 1.00 78.82 C ATOM 393 NH1 ARG A 28 25.887 13.776 35.783 1.00 88.84 N ATOM 394 NH2 ARG A 28 24.481 12.052 35.664 1.00 81.29 N ATOM 0 H ARG A 28 23.049 12.173 30.247 1.00 33.78 H new ATOM 0 HA ARG A 28 24.336 14.376 28.995 1.00 38.53 H new ATOM 0 HB2 ARG A 28 25.024 12.413 31.178 1.00 49.92 H new ATOM 0 HB3 ARG A 28 26.204 13.551 30.559 1.00 49.92 H new ATOM 0 HG2 ARG A 28 24.721 15.456 31.167 1.00 60.87 H new ATOM 0 HG3 ARG A 28 23.493 14.340 31.731 1.00 60.87 H new ATOM 0 HD2 ARG A 28 26.269 14.434 32.985 1.00 68.83 H new ATOM 0 HD3 ARG A 28 24.968 15.478 33.524 1.00 68.83 H new ATOM 0 HE ARG A 28 23.897 12.837 33.451 1.00 75.22 H new ATOM 0 HH11 ARG A 28 26.321 14.602 35.370 1.00 88.84 H new ATOM 0 HH12 ARG A 28 26.140 13.486 36.728 1.00 88.84 H new ATOM 0 HH21 ARG A 28 23.790 11.497 35.159 1.00 81.29 H new ATOM 0 HH22 ARG A 28 24.755 11.788 36.610 1.00 81.29 H new ATOM 408 N ASN A 29 25.040 11.474 27.780 1.00 33.96 N ATOM 409 CA ASN A 29 25.813 10.836 26.723 1.00 39.81 C ATOM 410 C ASN A 29 24.856 10.157 25.768 1.00 32.65 C ATOM 411 O ASN A 29 24.881 8.946 25.580 1.00 33.54 O ATOM 412 CB ASN A 29 26.875 9.940 27.437 1.00 48.92 C ATOM 413 CG ASN A 29 27.975 9.295 26.594 1.00 58.46 C ATOM 414 OD1 ASN A 29 28.288 8.124 26.743 1.00 62.30 O ATOM 415 ND2 ASN A 29 28.668 10.021 25.754 1.00 63.59 N ATOM 0 H ASN A 29 24.301 10.892 28.173 1.00 33.96 H new ATOM 0 HA ASN A 29 26.375 11.515 26.082 1.00 39.81 H new ATOM 0 HB2 ASN A 29 27.358 10.546 28.203 1.00 48.92 H new ATOM 0 HB3 ASN A 29 26.341 9.141 27.952 1.00 48.92 H new ATOM 0 HD21 ASN A 29 29.447 9.606 25.243 1.00 63.59 H new ATOM 0 HD22 ASN A 29 28.429 11.002 25.610 1.00 63.59 H new ATOM 422 N GLN A 30 24.011 10.982 25.181 1.00 34.15 N ATOM 423 CA GLN A 30 22.958 10.461 24.299 1.00 37.27 C ATOM 424 C GLN A 30 23.556 9.645 23.186 1.00 41.47 C ATOM 425 O GLN A 30 22.995 8.678 22.658 1.00 44.53 O ATOM 426 CB GLN A 30 22.071 11.595 23.698 1.00 35.75 C ATOM 427 CG GLN A 30 21.411 12.555 24.711 1.00 36.94 C ATOM 428 CD GLN A 30 20.441 13.606 24.171 1.00 38.75 C ATOM 429 OE1 GLN A 30 20.109 13.701 22.996 1.00 38.32 O ATOM 430 NE2 GLN A 30 19.950 14.449 25.043 1.00 38.32 N ATOM 0 H GLN A 30 24.022 11.996 25.288 1.00 34.15 H new ATOM 0 HA GLN A 30 22.318 9.829 24.914 1.00 37.27 H new ATOM 0 HB2 GLN A 30 22.684 12.185 23.017 1.00 35.75 H new ATOM 0 HB3 GLN A 30 21.284 11.134 23.101 1.00 35.75 H new ATOM 0 HG2 GLN A 30 20.876 11.952 25.445 1.00 36.94 H new ATOM 0 HG3 GLN A 30 22.206 13.076 25.245 1.00 36.94 H new ATOM 0 HE21 GLN A 30 20.218 14.381 26.025 1.00 38.32 H new ATOM 0 HE22 GLN A 30 19.299 15.174 24.741 1.00 38.32 H new ATOM 439 N SER A 31 24.773 10.051 22.783 1.00 41.32 N ATOM 440 CA SER A 31 25.388 9.394 21.644 1.00 41.18 C ATOM 441 C SER A 31 25.626 7.930 21.938 1.00 40.62 C ATOM 442 O SER A 31 25.447 7.189 20.960 1.00 52.29 O ATOM 443 CB SER A 31 26.667 10.167 21.230 1.00 40.47 C ATOM 444 OG SER A 31 27.660 10.198 22.262 1.00 58.82 O ATOM 0 H SER A 31 25.320 10.797 23.213 1.00 41.32 H new ATOM 0 HA SER A 31 24.715 9.415 20.786 1.00 41.18 H new ATOM 0 HB2 SER A 31 27.091 9.705 20.339 1.00 40.47 H new ATOM 0 HB3 SER A 31 26.397 11.189 20.962 1.00 40.47 H new ATOM 0 HG SER A 31 28.444 10.695 21.947 1.00 58.82 H new ATOM 450 N ALA A 32 26.007 7.492 23.122 1.00 37.21 N ATOM 451 CA ALA A 32 26.215 6.091 23.429 1.00 36.04 C ATOM 452 C ALA A 32 24.925 5.257 23.318 1.00 37.51 C ATOM 453 O ALA A 32 25.025 4.015 23.332 1.00 42.16 O ATOM 454 CB ALA A 32 26.852 6.024 24.827 1.00 34.91 C ATOM 0 H ALA A 32 26.184 8.112 23.912 1.00 37.21 H new ATOM 0 HA ALA A 32 26.882 5.642 22.693 1.00 36.04 H new ATOM 0 HB1 ALA A 32 27.026 4.983 25.098 1.00 34.91 H new ATOM 0 HB2 ALA A 32 27.801 6.561 24.821 1.00 34.91 H new ATOM 0 HB3 ALA A 32 26.181 6.481 25.555 1.00 34.91 H new ATOM 460 N TRP A 33 23.779 5.948 23.225 1.00 29.54 N ATOM 461 CA TRP A 33 22.502 5.241 23.101 1.00 28.92 C ATOM 462 C TRP A 33 21.804 5.310 21.759 1.00 27.01 C ATOM 463 O TRP A 33 20.619 4.986 21.548 1.00 28.38 O ATOM 464 CB TRP A 33 21.583 5.772 24.253 1.00 31.58 C ATOM 465 CG TRP A 33 22.049 5.442 25.686 1.00 30.16 C ATOM 466 CD1 TRP A 33 22.866 6.268 26.486 1.00 32.33 C ATOM 467 CD2 TRP A 33 21.939 4.250 26.379 1.00 29.61 C ATOM 468 NE1 TRP A 33 23.289 5.611 27.658 1.00 33.34 N ATOM 469 CE2 TRP A 33 22.705 4.361 27.567 1.00 33.44 C ATOM 470 CE3 TRP A 33 21.300 3.030 26.051 1.00 32.06 C ATOM 471 CZ2 TRP A 33 22.835 3.251 28.434 1.00 35.68 C ATOM 472 CZ3 TRP A 33 21.444 1.947 26.919 1.00 29.54 C ATOM 473 CH2 TRP A 33 22.193 2.057 28.097 1.00 35.42 C ATOM 0 H TRP A 33 23.712 6.966 23.233 1.00 29.54 H new ATOM 0 HA TRP A 33 22.718 4.176 23.182 1.00 28.92 H new ATOM 0 HB2 TRP A 33 21.501 6.855 24.158 1.00 31.58 H new ATOM 0 HB3 TRP A 33 20.583 5.363 24.113 1.00 31.58 H new ATOM 0 HD1 TRP A 33 23.135 7.282 26.231 1.00 32.33 H new ATOM 0 HE1 TRP A 33 23.887 5.973 28.401 1.00 33.34 H new ATOM 0 HE3 TRP A 33 20.714 2.940 25.148 1.00 32.06 H new ATOM 0 HZ2 TRP A 33 23.419 3.325 29.339 1.00 35.68 H new ATOM 0 HZ3 TRP A 33 20.969 1.007 26.678 1.00 29.54 H new ATOM 0 HH2 TRP A 33 22.276 1.205 28.756 1.00 35.42 H new ATOM 484 N ALA A 34 22.563 5.790 20.767 1.00 30.28 N ATOM 485 CA ALA A 34 21.952 5.997 19.451 1.00 29.18 C ATOM 486 C ALA A 34 21.308 4.771 18.881 1.00 27.03 C ATOM 487 O ALA A 34 20.314 4.842 18.144 1.00 29.16 O ATOM 488 CB ALA A 34 23.051 6.601 18.553 1.00 35.28 C ATOM 0 H ALA A 34 23.551 6.032 20.841 1.00 30.28 H new ATOM 0 HA ALA A 34 21.108 6.683 19.529 1.00 29.18 H new ATOM 0 HB1 ALA A 34 22.650 6.777 17.555 1.00 35.28 H new ATOM 0 HB2 ALA A 34 23.391 7.545 18.979 1.00 35.28 H new ATOM 0 HB3 ALA A 34 23.890 5.909 18.490 1.00 35.28 H new ATOM 494 N ALA A 35 21.841 3.583 19.209 1.00 27.12 N ATOM 495 CA ALA A 35 21.267 2.406 18.569 1.00 26.19 C ATOM 496 C ALA A 35 19.820 2.199 18.955 1.00 27.63 C ATOM 497 O ALA A 35 19.100 1.519 18.215 1.00 30.38 O ATOM 498 CB ALA A 35 22.166 1.216 18.967 1.00 29.91 C ATOM 0 H ALA A 35 22.608 3.422 19.862 1.00 27.12 H new ATOM 0 HA ALA A 35 21.245 2.520 17.485 1.00 26.19 H new ATOM 0 HB1 ALA A 35 21.782 0.302 18.514 1.00 29.91 H new ATOM 0 HB2 ALA A 35 23.183 1.395 18.617 1.00 29.91 H new ATOM 0 HB3 ALA A 35 22.169 1.109 20.052 1.00 29.91 H new ATOM 504 N TYR A 36 19.465 2.771 20.112 1.00 26.54 N ATOM 505 CA TYR A 36 18.142 2.603 20.646 1.00 28.19 C ATOM 506 C TYR A 36 17.145 3.611 20.076 1.00 26.99 C ATOM 507 O TYR A 36 15.950 3.373 20.258 1.00 29.10 O ATOM 508 CB TYR A 36 18.239 2.612 22.202 1.00 26.93 C ATOM 509 CG TYR A 36 18.956 1.409 22.861 1.00 27.75 C ATOM 510 CD1 TYR A 36 20.353 1.361 22.920 1.00 28.61 C ATOM 511 CD2 TYR A 36 18.218 0.353 23.406 1.00 26.48 C ATOM 512 CE1 TYR A 36 20.999 0.275 23.506 1.00 30.57 C ATOM 513 CE2 TYR A 36 18.865 -0.735 23.991 1.00 27.41 C ATOM 514 CZ TYR A 36 20.255 -0.772 24.041 1.00 34.01 C ATOM 515 OH TYR A 36 20.908 -1.826 24.625 1.00 29.30 O ATOM 0 H TYR A 36 20.084 3.348 20.681 1.00 26.54 H new ATOM 0 HA TYR A 36 17.735 1.641 20.335 1.00 28.19 H new ATOM 0 HB2 TYR A 36 18.755 3.523 22.505 1.00 26.93 H new ATOM 0 HB3 TYR A 36 17.228 2.668 22.606 1.00 26.93 H new ATOM 0 HD1 TYR A 36 20.935 2.172 22.508 1.00 28.61 H new ATOM 0 HD2 TYR A 36 17.139 0.381 23.373 1.00 26.48 H new ATOM 0 HE1 TYR A 36 22.078 0.246 23.545 1.00 30.57 H new ATOM 0 HE2 TYR A 36 18.288 -1.548 24.405 1.00 27.41 H new ATOM 0 HH TYR A 36 20.312 -2.265 25.267 1.00 29.30 H new ATOM 525 N GLU A 37 17.571 4.660 19.423 1.00 26.05 N ATOM 526 CA GLU A 37 16.743 5.697 18.835 1.00 23.43 C ATOM 527 C GLU A 37 15.685 6.191 19.805 1.00 25.75 C ATOM 528 O GLU A 37 14.499 6.287 19.461 1.00 25.07 O ATOM 529 CB GLU A 37 16.222 5.243 17.399 1.00 27.11 C ATOM 530 CG GLU A 37 16.313 3.775 16.819 1.00 34.48 C ATOM 531 CD GLU A 37 15.324 2.649 17.163 1.00 43.48 C ATOM 532 OE1 GLU A 37 14.382 2.825 17.960 1.00 28.37 O ATOM 533 OE2 GLU A 37 15.497 1.537 16.610 1.00 34.09 O ATOM 0 H GLU A 37 18.566 4.830 19.275 1.00 26.05 H new ATOM 0 HA GLU A 37 17.342 6.588 18.646 1.00 23.43 H new ATOM 0 HB2 GLU A 37 15.166 5.512 17.366 1.00 27.11 H new ATOM 0 HB3 GLU A 37 16.736 5.880 16.680 1.00 27.11 H new ATOM 0 HG2 GLU A 37 16.294 3.875 15.734 1.00 34.48 H new ATOM 0 HG3 GLU A 37 17.302 3.403 17.087 1.00 34.48 H new ATOM 540 N PHE A 38 16.152 6.533 21.012 1.00 25.23 N ATOM 541 CA PHE A 38 15.150 7.170 21.884 1.00 26.52 C ATOM 542 C PHE A 38 14.871 8.618 21.445 1.00 27.06 C ATOM 543 O PHE A 38 15.707 9.322 20.863 1.00 26.91 O ATOM 544 CB PHE A 38 15.684 7.144 23.352 1.00 25.51 C ATOM 545 CG PHE A 38 15.860 5.785 24.057 1.00 25.80 C ATOM 546 CD1 PHE A 38 14.744 4.991 24.341 1.00 28.19 C ATOM 547 CD2 PHE A 38 17.124 5.364 24.486 1.00 28.35 C ATOM 548 CE1 PHE A 38 14.892 3.784 25.016 1.00 34.10 C ATOM 549 CE2 PHE A 38 17.269 4.159 25.173 1.00 25.75 C ATOM 550 CZ PHE A 38 16.153 3.366 25.428 1.00 31.63 C ATOM 0 H PHE A 38 17.095 6.404 21.379 1.00 25.23 H new ATOM 0 HA PHE A 38 14.211 6.620 21.814 1.00 26.52 H new ATOM 0 HB2 PHE A 38 16.651 7.647 23.360 1.00 25.51 H new ATOM 0 HB3 PHE A 38 15.007 7.745 23.959 1.00 25.51 H new ATOM 0 HD1 PHE A 38 13.761 5.317 24.034 1.00 28.19 H new ATOM 0 HD2 PHE A 38 17.991 5.975 24.284 1.00 28.35 H new ATOM 0 HE1 PHE A 38 14.027 3.171 25.220 1.00 34.10 H new ATOM 0 HE2 PHE A 38 18.246 3.841 25.507 1.00 25.75 H new ATOM 0 HZ PHE A 38 16.267 2.425 25.946 1.00 31.63 H new ATOM 560 N ASP A 39 13.661 9.063 21.779 1.00 24.51 N ATOM 561 CA ASP A 39 13.323 10.469 21.606 1.00 22.80 C ATOM 562 C ASP A 39 13.858 11.184 22.816 1.00 24.20 C ATOM 563 O ASP A 39 13.403 10.976 23.944 1.00 22.37 O ATOM 564 CB ASP A 39 11.811 10.655 21.320 1.00 20.88 C ATOM 565 CG ASP A 39 11.477 12.064 20.821 1.00 27.38 C ATOM 566 OD1 ASP A 39 11.380 12.985 21.667 1.00 28.71 O ATOM 567 OD2 ASP A 39 11.323 12.272 19.605 1.00 29.35 O ATOM 0 H ASP A 39 12.915 8.483 22.163 1.00 24.51 H new ATOM 0 HA ASP A 39 13.786 10.911 20.724 1.00 22.80 H new ATOM 0 HB2 ASP A 39 11.493 9.925 20.576 1.00 20.88 H new ATOM 0 HB3 ASP A 39 11.245 10.451 22.229 1.00 20.88 H new ATOM 572 N TRP A 40 14.820 12.075 22.656 1.00 24.66 N ATOM 573 CA TRP A 40 15.344 12.825 23.779 1.00 25.26 C ATOM 574 C TRP A 40 14.767 14.226 23.840 1.00 24.40 C ATOM 575 O TRP A 40 15.380 15.108 24.488 1.00 27.85 O ATOM 576 CB TRP A 40 16.903 12.789 23.675 1.00 32.99 C ATOM 577 CG TRP A 40 17.609 11.426 23.850 1.00 28.42 C ATOM 578 CD1 TRP A 40 18.102 10.617 22.803 1.00 33.02 C ATOM 579 CD2 TRP A 40 17.957 10.766 25.016 1.00 31.36 C ATOM 580 NE1 TRP A 40 18.755 9.462 23.287 1.00 33.16 N ATOM 581 CE2 TRP A 40 18.636 9.570 24.661 1.00 31.30 C ATOM 582 CE3 TRP A 40 17.742 11.090 26.380 1.00 29.83 C ATOM 583 CZ2 TRP A 40 19.075 8.678 25.666 1.00 31.27 C ATOM 584 CZ3 TRP A 40 18.186 10.191 27.352 1.00 33.19 C ATOM 585 CH2 TRP A 40 18.833 9.001 27.001 1.00 33.19 C ATOM 0 H TRP A 40 15.253 12.296 21.759 1.00 24.66 H new ATOM 0 HA TRP A 40 15.043 12.373 24.724 1.00 25.26 H new ATOM 0 HB2 TRP A 40 17.182 13.187 22.699 1.00 32.99 H new ATOM 0 HB3 TRP A 40 17.304 13.472 24.424 1.00 32.99 H new ATOM 0 HD1 TRP A 40 17.993 10.854 21.755 1.00 33.02 H new ATOM 0 HE1 TRP A 40 19.208 8.722 22.750 1.00 33.16 H new ATOM 0 HE3 TRP A 40 17.248 12.009 26.660 1.00 29.83 H new ATOM 0 HZ2 TRP A 40 19.588 7.764 25.405 1.00 31.27 H new ATOM 0 HZ3 TRP A 40 18.027 10.419 28.396 1.00 33.19 H new ATOM 0 HH2 TRP A 40 19.151 8.321 27.777 1.00 33.19 H new ATOM 596 N SER A 41 13.657 14.516 23.161 1.00 23.05 N ATOM 597 CA SER A 41 13.283 15.919 23.149 1.00 23.51 C ATOM 598 C SER A 41 12.500 16.322 24.384 1.00 24.26 C ATOM 599 O SER A 41 11.889 15.431 24.982 1.00 25.75 O ATOM 600 CB SER A 41 12.450 16.127 21.846 1.00 24.00 C ATOM 601 OG SER A 41 11.160 15.496 21.876 1.00 30.96 O ATOM 0 H SER A 41 13.054 13.865 22.658 1.00 23.05 H new ATOM 0 HA SER A 41 14.169 16.553 23.163 1.00 23.51 H new ATOM 0 HB2 SER A 41 12.318 17.196 21.677 1.00 24.00 H new ATOM 0 HB3 SER A 41 13.015 15.738 20.999 1.00 24.00 H new ATOM 0 HG SER A 41 11.257 14.568 22.174 1.00 30.96 H new ATOM 607 N THR A 42 12.511 17.587 24.708 1.00 21.73 N ATOM 608 CA THR A 42 11.722 17.948 25.900 1.00 20.53 C ATOM 609 C THR A 42 11.299 19.403 25.795 1.00 24.97 C ATOM 610 O THR A 42 12.120 20.189 25.314 1.00 24.03 O ATOM 611 CB THR A 42 12.425 17.627 27.271 1.00 20.80 C ATOM 612 OG1 THR A 42 11.663 18.114 28.380 1.00 27.19 O ATOM 613 CG2 THR A 42 13.838 18.206 27.464 1.00 25.34 C ATOM 0 H THR A 42 13.003 18.340 24.227 1.00 21.73 H new ATOM 0 HA THR A 42 10.839 17.309 25.908 1.00 20.53 H new ATOM 0 HB THR A 42 12.497 16.540 27.236 1.00 20.80 H new ATOM 0 HG1 THR A 42 10.753 17.753 28.335 1.00 27.19 H new ATOM 0 HG21 THR A 42 14.218 17.918 28.444 1.00 25.34 H new ATOM 0 HG22 THR A 42 14.499 17.817 26.690 1.00 25.34 H new ATOM 0 HG23 THR A 42 13.798 19.293 27.395 1.00 25.34 H new ATOM 621 N ASP A 43 10.108 19.774 26.258 1.00 26.99 N ATOM 622 CA ASP A 43 9.722 21.195 26.322 1.00 23.97 C ATOM 623 C ASP A 43 9.771 21.667 27.790 1.00 23.04 C ATOM 624 O ASP A 43 9.127 22.634 28.198 1.00 27.04 O ATOM 625 CB ASP A 43 8.341 21.361 25.629 1.00 23.74 C ATOM 626 CG ASP A 43 7.264 20.462 26.208 1.00 28.03 C ATOM 627 OD1 ASP A 43 7.432 20.074 27.386 1.00 22.75 O ATOM 628 OD2 ASP A 43 6.392 19.991 25.445 1.00 30.32 O ATOM 0 H ASP A 43 9.396 19.125 26.592 1.00 26.99 H new ATOM 0 HA ASP A 43 10.417 21.839 25.782 1.00 23.97 H new ATOM 0 HB2 ASP A 43 8.022 22.400 25.715 1.00 23.74 H new ATOM 0 HB3 ASP A 43 8.449 21.148 24.565 1.00 23.74 H new ATOM 633 N LEU A 44 10.534 20.945 28.609 1.00 23.07 N ATOM 634 CA LEU A 44 10.653 21.272 30.075 1.00 19.50 C ATOM 635 C LEU A 44 9.255 21.319 30.670 1.00 23.68 C ATOM 636 O LEU A 44 8.509 20.412 30.248 1.00 21.65 O ATOM 637 CB LEU A 44 11.697 22.418 30.319 1.00 21.51 C ATOM 638 CG LEU A 44 13.128 22.238 29.740 1.00 24.69 C ATOM 639 CD1 LEU A 44 13.986 23.482 30.024 1.00 27.67 C ATOM 640 CD2 LEU A 44 13.837 20.980 30.270 1.00 29.24 C ATOM 0 H LEU A 44 11.081 20.137 28.312 1.00 23.07 H new ATOM 0 HA LEU A 44 11.127 20.499 30.680 1.00 19.50 H new ATOM 0 HB2 LEU A 44 11.284 23.339 29.908 1.00 21.51 H new ATOM 0 HB3 LEU A 44 11.788 22.563 31.395 1.00 21.51 H new ATOM 0 HG LEU A 44 13.011 22.110 28.664 1.00 24.69 H new ATOM 0 HD11 LEU A 44 14.984 23.337 29.611 1.00 27.67 H new ATOM 0 HD12 LEU A 44 13.525 24.355 29.562 1.00 27.67 H new ATOM 0 HD13 LEU A 44 14.057 23.637 31.101 1.00 27.67 H new ATOM 0 HD21 LEU A 44 14.831 20.910 29.829 1.00 29.24 H new ATOM 0 HD22 LEU A 44 13.924 21.041 31.355 1.00 29.24 H new ATOM 0 HD23 LEU A 44 13.258 20.096 30.002 1.00 29.24 H new ATOM 652 N CYS A 45 8.974 22.281 31.548 1.00 27.65 N ATOM 653 CA CYS A 45 7.690 22.377 32.285 1.00 20.85 C ATOM 654 C CYS A 45 6.739 23.293 31.536 1.00 23.43 C ATOM 655 O CYS A 45 5.794 23.801 32.118 1.00 26.74 O ATOM 656 CB CYS A 45 8.024 22.949 33.692 1.00 23.08 C ATOM 657 SG CYS A 45 9.249 22.005 34.617 1.00 24.20 S ATOM 0 H CYS A 45 9.629 23.028 31.778 1.00 27.65 H new ATOM 0 HA CYS A 45 7.204 21.406 32.377 1.00 20.85 H new ATOM 0 HB2 CYS A 45 8.384 23.972 33.578 1.00 23.08 H new ATOM 0 HB3 CYS A 45 7.105 22.998 34.277 1.00 23.08 H new ATOM 662 N THR A 46 6.961 23.465 30.226 1.00 26.71 N ATOM 663 CA THR A 46 5.952 24.276 29.471 1.00 23.06 C ATOM 664 C THR A 46 4.546 23.746 29.635 1.00 23.20 C ATOM 665 O THR A 46 4.327 22.528 29.505 1.00 31.63 O ATOM 666 CB THR A 46 6.401 24.360 27.972 1.00 22.50 C ATOM 667 OG1 THR A 46 7.757 24.784 27.861 1.00 25.23 O ATOM 668 CG2 THR A 46 5.625 25.358 27.101 1.00 27.63 C ATOM 0 H THR A 46 7.749 23.099 29.691 1.00 26.71 H new ATOM 0 HA THR A 46 5.916 25.284 29.885 1.00 23.06 H new ATOM 0 HB THR A 46 6.220 23.345 27.619 1.00 22.50 H new ATOM 0 HG1 THR A 46 8.315 24.028 27.583 1.00 25.23 H new ATOM 0 HG21 THR A 46 6.017 25.335 26.084 1.00 27.63 H new ATOM 0 HG22 THR A 46 4.569 25.087 27.089 1.00 27.63 H new ATOM 0 HG23 THR A 46 5.737 26.362 27.510 1.00 27.63 H new ATOM 676 N GLN A 47 3.582 24.627 29.910 1.00 28.56 N ATOM 677 CA GLN A 47 2.169 24.353 30.109 1.00 31.01 C ATOM 678 C GLN A 47 1.853 23.727 31.448 1.00 28.11 C ATOM 679 O GLN A 47 0.781 23.210 31.683 1.00 31.83 O ATOM 680 CB GLN A 47 1.465 23.630 28.908 1.00 38.74 C ATOM 681 CG GLN A 47 1.562 24.248 27.487 1.00 43.54 C ATOM 682 CD GLN A 47 1.063 25.687 27.333 1.00 47.60 C ATOM 683 OE1 GLN A 47 -0.126 25.978 27.355 1.00 50.19 O ATOM 684 NE2 GLN A 47 1.942 26.639 27.158 1.00 47.78 N ATOM 0 H GLN A 47 3.790 25.621 30.005 1.00 28.56 H new ATOM 0 HA GLN A 47 1.715 25.344 30.133 1.00 31.01 H new ATOM 0 HB2 GLN A 47 1.867 22.618 28.853 1.00 38.74 H new ATOM 0 HB3 GLN A 47 0.407 23.540 29.155 1.00 38.74 H new ATOM 0 HG2 GLN A 47 2.604 24.212 27.170 1.00 43.54 H new ATOM 0 HG3 GLN A 47 0.998 23.616 26.801 1.00 43.54 H new ATOM 0 HE21 GLN A 47 2.937 26.417 27.137 1.00 47.78 H new ATOM 0 HE22 GLN A 47 1.632 27.604 27.043 1.00 47.78 H new ATOM 693 N ALA A 48 2.790 23.812 32.388 1.00 27.56 N ATOM 694 CA ALA A 48 2.570 23.347 33.743 1.00 27.23 C ATOM 695 C ALA A 48 1.893 24.452 34.570 1.00 29.74 C ATOM 696 O ALA A 48 1.731 25.558 34.041 1.00 30.96 O ATOM 697 CB ALA A 48 3.946 22.887 34.272 1.00 25.80 C ATOM 0 H ALA A 48 3.718 24.204 32.227 1.00 27.56 H new ATOM 0 HA ALA A 48 1.884 22.502 33.805 1.00 27.23 H new ATOM 0 HB1 ALA A 48 3.840 22.525 35.295 1.00 25.80 H new ATOM 0 HB2 ALA A 48 4.329 22.085 33.641 1.00 25.80 H new ATOM 0 HB3 ALA A 48 4.642 23.726 34.255 1.00 25.80 H new ATOM 703 N PRO A 49 1.462 24.186 35.780 1.00 27.86 N ATOM 704 CA PRO A 49 0.916 25.236 36.683 1.00 25.77 C ATOM 705 C PRO A 49 1.992 26.263 37.039 1.00 23.71 C ATOM 706 O PRO A 49 3.170 26.037 36.844 1.00 24.47 O ATOM 707 CB PRO A 49 0.420 24.430 37.905 1.00 26.49 C ATOM 708 CG PRO A 49 0.162 23.023 37.376 1.00 26.37 C ATOM 709 CD PRO A 49 1.260 22.824 36.337 1.00 28.59 C ATOM 0 HA PRO A 49 0.116 25.829 36.238 1.00 25.77 H new ATOM 0 HB2 PRO A 49 1.165 24.421 38.700 1.00 26.49 H new ATOM 0 HB3 PRO A 49 -0.487 24.866 38.323 1.00 26.49 H new ATOM 0 HG2 PRO A 49 0.222 22.279 38.170 1.00 26.37 H new ATOM 0 HG3 PRO A 49 -0.830 22.937 36.933 1.00 26.37 H new ATOM 0 HD2 PRO A 49 2.173 22.435 36.788 1.00 28.59 H new ATOM 0 HD3 PRO A 49 0.959 22.116 35.565 1.00 28.59 H new ATOM 717 N ASP A 50 1.516 27.434 37.549 1.00 22.72 N ATOM 718 CA ASP A 50 2.352 28.536 37.902 1.00 22.15 C ATOM 719 C ASP A 50 3.302 28.080 39.014 1.00 31.78 C ATOM 720 O ASP A 50 2.909 27.157 39.737 1.00 28.17 O ATOM 721 CB ASP A 50 1.457 29.718 38.369 1.00 23.45 C ATOM 722 CG ASP A 50 0.556 30.334 37.303 1.00 29.72 C ATOM 723 OD1 ASP A 50 -0.570 29.829 37.114 1.00 32.90 O ATOM 724 OD2 ASP A 50 0.973 31.320 36.663 1.00 28.21 O ATOM 0 H ASP A 50 0.524 27.605 37.715 1.00 22.72 H new ATOM 0 HA ASP A 50 2.943 28.874 37.051 1.00 22.15 H new ATOM 0 HB2 ASP A 50 0.830 29.371 39.191 1.00 23.45 H new ATOM 0 HB3 ASP A 50 2.102 30.501 38.769 1.00 23.45 H new ATOM 729 N ASN A 51 4.487 28.649 39.127 1.00 31.03 N ATOM 730 CA ASN A 51 5.550 28.341 40.075 1.00 28.76 C ATOM 731 C ASN A 51 6.120 29.670 40.586 1.00 23.75 C ATOM 732 O ASN A 51 7.202 30.052 40.245 1.00 25.33 O ATOM 733 CB ASN A 51 6.533 27.374 39.357 1.00 23.73 C ATOM 734 CG ASN A 51 7.569 26.677 40.237 1.00 26.73 C ATOM 735 OD1 ASN A 51 7.778 26.969 41.411 1.00 26.66 O ATOM 736 ND2 ASN A 51 8.254 25.715 39.681 1.00 25.98 N ATOM 0 H ASN A 51 4.758 29.408 38.502 1.00 31.03 H new ATOM 0 HA ASN A 51 5.233 27.814 40.975 1.00 28.76 H new ATOM 0 HB2 ASN A 51 5.947 26.608 38.848 1.00 23.73 H new ATOM 0 HB3 ASN A 51 7.062 27.935 38.587 1.00 23.73 H new ATOM 0 HD21 ASN A 51 8.957 25.211 40.221 1.00 25.98 H new ATOM 0 HD22 ASN A 51 8.086 25.467 38.706 1.00 25.98 H new ATOM 743 N PRO A 52 5.306 30.422 41.348 1.00 27.66 N ATOM 744 CA PRO A 52 5.664 31.743 41.841 1.00 31.13 C ATOM 745 C PRO A 52 7.001 31.808 42.545 1.00 30.44 C ATOM 746 O PRO A 52 7.726 32.785 42.417 1.00 32.49 O ATOM 747 CB PRO A 52 4.452 32.215 42.671 1.00 35.76 C ATOM 748 CG PRO A 52 3.742 30.932 43.087 1.00 33.60 C ATOM 749 CD PRO A 52 3.974 30.011 41.892 1.00 27.73 C ATOM 0 HA PRO A 52 5.847 32.435 41.019 1.00 31.13 H new ATOM 0 HB2 PRO A 52 4.768 32.792 43.540 1.00 35.76 H new ATOM 0 HB3 PRO A 52 3.796 32.857 42.083 1.00 35.76 H new ATOM 0 HG2 PRO A 52 4.161 30.517 44.004 1.00 33.60 H new ATOM 0 HG3 PRO A 52 2.680 31.099 43.269 1.00 33.60 H new ATOM 0 HD2 PRO A 52 3.976 28.964 42.194 1.00 27.73 H new ATOM 0 HD3 PRO A 52 3.189 30.126 41.145 1.00 27.73 H new ATOM 757 N PHE A 53 7.306 30.736 43.312 1.00 28.04 N ATOM 758 CA PHE A 53 8.558 30.784 44.014 1.00 29.87 C ATOM 759 C PHE A 53 9.710 30.289 43.172 1.00 30.79 C ATOM 760 O PHE A 53 10.850 30.306 43.648 1.00 35.31 O ATOM 761 CB PHE A 53 8.413 29.924 45.302 1.00 36.54 C ATOM 762 CG PHE A 53 7.426 30.391 46.389 1.00 48.77 C ATOM 763 CD1 PHE A 53 7.756 31.454 47.235 1.00 61.50 C ATOM 764 CD2 PHE A 53 6.201 29.735 46.557 1.00 43.45 C ATOM 765 CE1 PHE A 53 6.872 31.858 48.233 1.00 63.34 C ATOM 766 CE2 PHE A 53 5.318 30.139 47.555 1.00 51.56 C ATOM 767 CZ PHE A 53 5.654 31.200 48.393 1.00 59.82 C ATOM 0 H PHE A 53 6.737 29.899 43.441 1.00 28.04 H new ATOM 0 HA PHE A 53 8.787 31.820 44.261 1.00 29.87 H new ATOM 0 HB2 PHE A 53 8.121 28.919 44.998 1.00 36.54 H new ATOM 0 HB3 PHE A 53 9.399 29.845 45.761 1.00 36.54 H new ATOM 0 HD1 PHE A 53 8.700 31.964 47.114 1.00 61.50 H new ATOM 0 HD2 PHE A 53 5.939 28.911 45.909 1.00 43.45 H new ATOM 0 HE1 PHE A 53 7.131 32.681 48.883 1.00 63.34 H new ATOM 0 HE2 PHE A 53 4.373 29.630 47.679 1.00 51.56 H new ATOM 0 HZ PHE A 53 4.970 31.513 49.168 1.00 59.82 H new ATOM 777 N GLY A 54 9.497 29.800 41.946 1.00 28.02 N ATOM 778 CA GLY A 54 10.689 29.431 41.189 1.00 24.71 C ATOM 779 C GLY A 54 11.336 28.142 41.595 1.00 24.80 C ATOM 780 O GLY A 54 12.557 28.021 41.413 1.00 25.09 O ATOM 0 H GLY A 54 8.595 29.660 41.491 1.00 28.02 H new ATOM 0 HA2 GLY A 54 10.423 29.368 40.134 1.00 24.71 H new ATOM 0 HA3 GLY A 54 11.422 30.232 41.285 1.00 24.71 H new ATOM 784 N PHE A 55 10.715 27.091 42.138 1.00 25.95 N ATOM 785 CA PHE A 55 11.387 25.834 42.447 1.00 21.82 C ATOM 786 C PHE A 55 11.883 25.200 41.129 1.00 20.76 C ATOM 787 O PHE A 55 11.178 25.244 40.165 1.00 24.91 O ATOM 788 CB PHE A 55 10.397 24.904 43.216 1.00 25.37 C ATOM 789 CG PHE A 55 9.777 25.483 44.506 1.00 28.66 C ATOM 790 CD1 PHE A 55 10.591 25.834 45.587 1.00 30.73 C ATOM 791 CD2 PHE A 55 8.411 25.772 44.556 1.00 27.41 C ATOM 792 CE1 PHE A 55 10.053 26.485 46.694 1.00 31.21 C ATOM 793 CE2 PHE A 55 7.867 26.398 45.675 1.00 28.73 C ATOM 794 CZ PHE A 55 8.692 26.767 46.736 1.00 26.11 C ATOM 0 H PHE A 55 9.723 27.093 42.376 1.00 25.95 H new ATOM 0 HA PHE A 55 12.254 25.996 43.088 1.00 21.82 H new ATOM 0 HB2 PHE A 55 9.587 24.632 42.539 1.00 25.37 H new ATOM 0 HB3 PHE A 55 10.921 23.983 43.472 1.00 25.37 H new ATOM 0 HD1 PHE A 55 11.645 25.599 45.563 1.00 30.73 H new ATOM 0 HD2 PHE A 55 7.775 25.509 43.724 1.00 27.41 H new ATOM 0 HE1 PHE A 55 10.691 26.770 47.518 1.00 31.21 H new ATOM 0 HE2 PHE A 55 6.807 26.597 45.720 1.00 28.73 H new ATOM 0 HZ PHE A 55 8.273 27.273 47.593 1.00 26.11 H new ATOM 804 N PRO A 56 13.100 24.704 41.153 1.00 23.85 N ATOM 805 CA PRO A 56 13.681 24.289 39.889 1.00 25.85 C ATOM 806 C PRO A 56 13.390 22.828 39.521 1.00 22.56 C ATOM 807 O PRO A 56 14.134 21.892 39.791 1.00 28.24 O ATOM 808 CB PRO A 56 15.183 24.575 40.139 1.00 28.89 C ATOM 809 CG PRO A 56 15.399 24.311 41.629 1.00 31.52 C ATOM 810 CD PRO A 56 14.108 24.840 42.244 1.00 25.83 C ATOM 0 HA PRO A 56 13.268 24.813 39.027 1.00 25.85 H new ATOM 0 HB2 PRO A 56 15.814 23.928 39.529 1.00 28.89 H new ATOM 0 HB3 PRO A 56 15.436 25.603 39.881 1.00 28.89 H new ATOM 0 HG2 PRO A 56 15.544 23.251 41.837 1.00 31.52 H new ATOM 0 HG3 PRO A 56 16.276 24.834 42.012 1.00 31.52 H new ATOM 0 HD2 PRO A 56 13.822 24.265 43.125 1.00 25.83 H new ATOM 0 HD3 PRO A 56 14.214 25.877 42.561 1.00 25.83 H new ATOM 818 N PHE A 57 12.275 22.792 38.819 1.00 21.97 N ATOM 819 CA PHE A 57 11.689 21.536 38.367 1.00 21.26 C ATOM 820 C PHE A 57 12.012 21.186 36.926 1.00 24.27 C ATOM 821 O PHE A 57 11.444 20.233 36.399 1.00 23.45 O ATOM 822 CB PHE A 57 10.159 21.563 38.698 1.00 21.19 C ATOM 823 CG PHE A 57 9.675 21.594 40.174 1.00 23.97 C ATOM 824 CD1 PHE A 57 10.438 21.106 41.246 1.00 23.82 C ATOM 825 CD2 PHE A 57 8.381 22.066 40.428 1.00 25.75 C ATOM 826 CE1 PHE A 57 9.926 21.113 42.542 1.00 27.48 C ATOM 827 CE2 PHE A 57 7.868 22.063 41.723 1.00 24.19 C ATOM 828 CZ PHE A 57 8.642 21.593 42.779 1.00 26.59 C ATOM 0 H PHE A 57 11.750 23.622 38.545 1.00 21.97 H new ATOM 0 HA PHE A 57 12.150 20.712 38.911 1.00 21.26 H new ATOM 0 HB2 PHE A 57 9.737 22.437 38.202 1.00 21.19 H new ATOM 0 HB3 PHE A 57 9.713 20.685 38.231 1.00 21.19 H new ATOM 0 HD1 PHE A 57 11.431 20.722 41.065 1.00 23.82 H new ATOM 0 HD2 PHE A 57 7.776 22.435 39.613 1.00 25.75 H new ATOM 0 HE1 PHE A 57 10.526 20.746 43.362 1.00 27.48 H new ATOM 0 HE2 PHE A 57 6.868 22.426 41.908 1.00 24.19 H new ATOM 0 HZ PHE A 57 8.246 21.601 43.784 1.00 26.59 H new ATOM 838 N ASN A 58 12.873 21.917 36.230 1.00 22.82 N ATOM 839 CA ASN A 58 13.061 21.559 34.833 1.00 21.37 C ATOM 840 C ASN A 58 13.633 20.150 34.659 1.00 22.86 C ATOM 841 O ASN A 58 13.229 19.471 33.727 1.00 20.25 O ATOM 842 CB ASN A 58 13.911 22.663 34.144 1.00 23.57 C ATOM 843 CG ASN A 58 13.187 24.000 33.940 1.00 25.37 C ATOM 844 OD1 ASN A 58 12.041 24.069 33.515 1.00 31.34 O ATOM 845 ND2 ASN A 58 13.823 25.108 34.216 1.00 28.29 N ATOM 0 H ASN A 58 13.417 22.706 36.578 1.00 22.82 H new ATOM 0 HA ASN A 58 12.091 21.515 34.338 1.00 21.37 H new ATOM 0 HB2 ASN A 58 14.806 22.838 34.741 1.00 23.57 H new ATOM 0 HB3 ASN A 58 14.242 22.294 33.173 1.00 23.57 H new ATOM 0 HD21 ASN A 58 13.364 26.008 34.076 1.00 28.29 H new ATOM 0 HD22 ASN A 58 14.779 25.073 34.571 1.00 28.29 H new ATOM 852 N THR A 59 14.531 19.710 35.518 1.00 22.46 N ATOM 853 CA THR A 59 15.069 18.362 35.277 1.00 24.26 C ATOM 854 C THR A 59 14.003 17.290 35.458 1.00 24.41 C ATOM 855 O THR A 59 13.967 16.309 34.684 1.00 22.22 O ATOM 856 CB THR A 59 16.304 18.180 36.222 1.00 25.87 C ATOM 857 OG1 THR A 59 17.277 19.197 36.004 1.00 32.31 O ATOM 858 CG2 THR A 59 17.069 16.870 36.026 1.00 28.41 C ATOM 0 H THR A 59 14.889 20.210 36.332 1.00 22.46 H new ATOM 0 HA THR A 59 15.392 18.250 34.242 1.00 24.26 H new ATOM 0 HB THR A 59 15.860 18.209 37.217 1.00 25.87 H new ATOM 0 HG1 THR A 59 18.036 19.059 36.609 1.00 32.31 H new ATOM 0 HG21 THR A 59 17.907 16.830 36.722 1.00 28.41 H new ATOM 0 HG22 THR A 59 16.402 16.028 36.212 1.00 28.41 H new ATOM 0 HG23 THR A 59 17.444 16.817 35.004 1.00 28.41 H new ATOM 866 N ALA A 60 13.165 17.470 36.483 1.00 19.54 N ATOM 867 CA ALA A 60 12.032 16.544 36.569 1.00 22.65 C ATOM 868 C ALA A 60 11.085 16.552 35.381 1.00 20.70 C ATOM 869 O ALA A 60 10.681 15.456 34.981 1.00 23.24 O ATOM 870 CB ALA A 60 11.325 16.876 37.901 1.00 21.40 C ATOM 0 H ALA A 60 13.234 18.184 37.208 1.00 19.54 H new ATOM 0 HA ALA A 60 12.403 15.519 36.543 1.00 22.65 H new ATOM 0 HB1 ALA A 60 10.465 16.219 38.030 1.00 21.40 H new ATOM 0 HB2 ALA A 60 12.020 16.731 38.728 1.00 21.40 H new ATOM 0 HB3 ALA A 60 10.990 17.913 37.886 1.00 21.40 H new ATOM 876 N CYS A 61 10.702 17.712 34.824 1.00 23.00 N ATOM 877 CA CYS A 61 9.840 17.787 33.647 1.00 23.42 C ATOM 878 C CYS A 61 10.527 17.058 32.460 1.00 21.73 C ATOM 879 O CYS A 61 9.872 16.363 31.679 1.00 22.79 O ATOM 880 CB CYS A 61 9.508 19.248 33.346 1.00 20.75 C ATOM 881 SG CYS A 61 8.736 20.082 34.734 1.00 24.30 S ATOM 0 H CYS A 61 10.986 18.624 35.183 1.00 23.00 H new ATOM 0 HA CYS A 61 8.892 17.281 33.828 1.00 23.42 H new ATOM 0 HB2 CYS A 61 10.422 19.775 33.073 1.00 20.75 H new ATOM 0 HB3 CYS A 61 8.843 19.295 32.483 1.00 20.75 H new ATOM 886 N ALA A 62 11.827 17.177 32.407 1.00 21.87 N ATOM 887 CA ALA A 62 12.554 16.527 31.296 1.00 24.63 C ATOM 888 C ALA A 62 12.434 15.020 31.320 1.00 25.89 C ATOM 889 O ALA A 62 12.217 14.418 30.231 1.00 22.22 O ATOM 890 CB ALA A 62 14.004 17.049 31.317 1.00 23.60 C ATOM 0 H ALA A 62 12.403 17.688 33.076 1.00 21.87 H new ATOM 0 HA ALA A 62 12.102 16.794 30.341 1.00 24.63 H new ATOM 0 HB1 ALA A 62 14.569 16.587 30.507 1.00 23.60 H new ATOM 0 HB2 ALA A 62 14.003 18.131 31.188 1.00 23.60 H new ATOM 0 HB3 ALA A 62 14.467 16.798 32.271 1.00 23.60 H new ATOM 896 N ARG A 63 12.558 14.410 32.508 1.00 22.14 N ATOM 897 CA ARG A 63 12.514 12.955 32.514 1.00 22.24 C ATOM 898 C ARG A 63 11.077 12.540 32.317 1.00 24.71 C ATOM 899 O ARG A 63 10.788 11.524 31.701 1.00 23.28 O ATOM 900 CB ARG A 63 13.095 12.400 33.847 1.00 19.07 C ATOM 901 CG ARG A 63 13.225 10.850 33.855 1.00 20.32 C ATOM 902 CD ARG A 63 14.045 10.266 35.016 1.00 24.46 C ATOM 903 NE ARG A 63 13.229 10.121 36.257 1.00 21.75 N ATOM 904 CZ ARG A 63 12.978 8.989 36.892 1.00 22.30 C ATOM 905 NH1 ARG A 63 13.237 7.805 36.422 1.00 19.44 N ATOM 906 NH2 ARG A 63 12.450 9.063 38.060 1.00 22.64 N ATOM 0 H ARG A 63 12.681 14.867 33.412 1.00 22.14 H new ATOM 0 HA ARG A 63 13.125 12.545 31.710 1.00 22.24 H new ATOM 0 HB2 ARG A 63 14.076 12.842 34.021 1.00 19.07 H new ATOM 0 HB3 ARG A 63 12.454 12.710 34.673 1.00 19.07 H new ATOM 0 HG2 ARG A 63 12.225 10.418 33.885 1.00 20.32 H new ATOM 0 HG3 ARG A 63 13.680 10.535 32.916 1.00 20.32 H new ATOM 0 HD2 ARG A 63 14.442 9.293 34.727 1.00 24.46 H new ATOM 0 HD3 ARG A 63 14.900 10.912 35.217 1.00 24.46 H new ATOM 0 HE ARG A 63 12.829 10.972 36.651 1.00 21.75 H new ATOM 0 HH11 ARG A 63 13.664 7.704 35.501 1.00 19.44 H new ATOM 0 HH12 ARG A 63 13.013 6.977 36.974 1.00 19.44 H new ATOM 0 HH21 ARG A 63 12.239 9.974 38.467 1.00 22.64 H new ATOM 0 HH22 ARG A 63 12.242 8.211 38.581 1.00 22.64 H new ATOM 920 N HIS A 64 10.132 13.379 32.795 1.00 23.66 N ATOM 921 CA HIS A 64 8.718 13.069 32.521 1.00 27.85 C ATOM 922 C HIS A 64 8.429 13.122 31.026 1.00 25.23 C ATOM 923 O HIS A 64 7.777 12.206 30.510 1.00 24.84 O ATOM 924 CB HIS A 64 7.890 14.063 33.366 1.00 22.81 C ATOM 925 CG HIS A 64 6.391 13.826 33.299 1.00 25.90 C ATOM 926 ND1 HIS A 64 5.559 14.579 32.500 1.00 28.12 N ATOM 927 CD2 HIS A 64 5.680 12.798 33.919 1.00 24.29 C ATOM 928 CE1 HIS A 64 4.380 13.946 32.744 1.00 26.23 C ATOM 929 NE2 HIS A 64 4.355 12.890 33.595 1.00 26.89 N ATOM 0 H HIS A 64 10.307 14.224 33.339 1.00 23.66 H new ATOM 0 HA HIS A 64 8.450 12.052 32.805 1.00 27.85 H new ATOM 0 HB2 HIS A 64 8.212 13.998 34.405 1.00 22.81 H new ATOM 0 HB3 HIS A 64 8.103 15.077 33.029 1.00 22.81 H new ATOM 0 HD2 HIS A 64 6.112 12.043 34.559 1.00 24.29 H new ATOM 0 HE1 HIS A 64 3.472 14.281 32.265 1.00 26.23 H new ATOM 0 HE2 HIS A 64 3.567 12.322 33.907 1.00 26.89 H new ATOM 937 N ASP A 65 8.897 14.105 30.260 1.00 21.82 N ATOM 938 CA ASP A 65 8.726 14.072 28.788 1.00 23.12 C ATOM 939 C ASP A 65 9.369 12.839 28.207 1.00 18.89 C ATOM 940 O ASP A 65 8.825 12.189 27.306 1.00 23.97 O ATOM 941 CB ASP A 65 9.402 15.364 28.276 1.00 21.62 C ATOM 942 CG ASP A 65 8.574 16.602 28.504 1.00 23.72 C ATOM 943 OD1 ASP A 65 7.357 16.564 28.468 1.00 25.47 O ATOM 944 OD2 ASP A 65 9.128 17.673 28.591 1.00 22.92 O ATOM 0 H ASP A 65 9.390 14.925 30.614 1.00 21.82 H new ATOM 0 HA ASP A 65 7.678 14.029 28.492 1.00 23.12 H new ATOM 0 HB2 ASP A 65 10.365 15.483 28.773 1.00 21.62 H new ATOM 0 HB3 ASP A 65 9.604 15.262 27.210 1.00 21.62 H new ATOM 949 N PHE A 66 10.542 12.455 28.716 1.00 19.52 N ATOM 950 CA PHE A 66 11.138 11.222 28.172 1.00 21.80 C ATOM 951 C PHE A 66 10.230 10.011 28.344 1.00 22.50 C ATOM 952 O PHE A 66 10.096 9.227 27.378 1.00 23.00 O ATOM 953 CB PHE A 66 12.563 11.034 28.765 1.00 22.31 C ATOM 954 CG PHE A 66 13.349 9.834 28.198 1.00 23.64 C ATOM 955 CD1 PHE A 66 13.237 8.570 28.794 1.00 24.10 C ATOM 956 CD2 PHE A 66 14.210 10.003 27.110 1.00 24.04 C ATOM 957 CE1 PHE A 66 13.975 7.495 28.306 1.00 27.02 C ATOM 958 CE2 PHE A 66 14.947 8.925 26.625 1.00 25.79 C ATOM 959 CZ PHE A 66 14.833 7.674 27.224 1.00 23.62 C ATOM 0 H PHE A 66 11.069 12.933 29.447 1.00 19.52 H new ATOM 0 HA PHE A 66 11.243 11.321 27.092 1.00 21.80 H new ATOM 0 HB2 PHE A 66 13.138 11.943 28.587 1.00 22.31 H new ATOM 0 HB3 PHE A 66 12.479 10.917 29.845 1.00 22.31 H new ATOM 0 HD1 PHE A 66 12.575 8.429 29.636 1.00 24.10 H new ATOM 0 HD2 PHE A 66 14.304 10.973 26.644 1.00 24.04 H new ATOM 0 HE1 PHE A 66 13.882 6.523 28.767 1.00 27.02 H new ATOM 0 HE2 PHE A 66 15.608 9.060 25.782 1.00 25.79 H new ATOM 0 HZ PHE A 66 15.410 6.842 26.849 1.00 23.62 H new ATOM 969 N GLY A 67 9.624 9.815 29.490 1.00 21.98 N ATOM 970 CA GLY A 67 8.721 8.649 29.635 1.00 18.72 C ATOM 971 C GLY A 67 7.526 8.763 28.757 1.00 20.18 C ATOM 972 O GLY A 67 7.124 7.839 27.991 1.00 22.63 O ATOM 0 H GLY A 67 9.718 10.407 30.316 1.00 21.98 H new ATOM 0 HA2 GLY A 67 9.265 7.736 29.392 1.00 18.72 H new ATOM 0 HA3 GLY A 67 8.402 8.563 30.674 1.00 18.72 H new ATOM 976 N TYR A 68 6.840 9.905 28.701 1.00 23.35 N ATOM 977 CA TYR A 68 5.686 10.050 27.819 1.00 22.03 C ATOM 978 C TYR A 68 6.032 9.842 26.328 1.00 24.60 C ATOM 979 O TYR A 68 5.325 9.123 25.640 1.00 23.51 O ATOM 980 CB TYR A 68 5.032 11.444 28.106 1.00 20.93 C ATOM 981 CG TYR A 68 3.970 11.567 29.222 1.00 24.77 C ATOM 982 CD1 TYR A 68 3.907 10.699 30.320 1.00 24.04 C ATOM 983 CD2 TYR A 68 3.027 12.599 29.120 1.00 23.68 C ATOM 984 CE1 TYR A 68 2.912 10.847 31.280 1.00 27.59 C ATOM 985 CE2 TYR A 68 2.027 12.743 30.081 1.00 24.69 C ATOM 986 CZ TYR A 68 1.974 11.868 31.159 1.00 25.98 C ATOM 987 OH TYR A 68 1.062 12.074 32.157 1.00 27.60 O ATOM 0 H TYR A 68 7.062 10.735 29.251 1.00 23.35 H new ATOM 0 HA TYR A 68 4.967 9.260 28.033 1.00 22.03 H new ATOM 0 HB2 TYR A 68 5.836 12.141 28.341 1.00 20.93 H new ATOM 0 HB3 TYR A 68 4.574 11.788 27.179 1.00 20.93 H new ATOM 0 HD1 TYR A 68 4.637 9.909 30.422 1.00 24.04 H new ATOM 0 HD2 TYR A 68 3.075 13.288 28.290 1.00 23.68 H new ATOM 0 HE1 TYR A 68 2.867 10.169 32.120 1.00 27.59 H new ATOM 0 HE2 TYR A 68 1.296 13.532 29.988 1.00 24.69 H new ATOM 0 HH TYR A 68 1.532 12.207 33.007 1.00 27.60 H new ATOM 997 N ARG A 69 7.057 10.532 25.832 1.00 21.78 N ATOM 998 CA ARG A 69 7.285 10.510 24.383 1.00 23.05 C ATOM 999 C ARG A 69 7.709 9.127 23.949 1.00 22.10 C ATOM 1000 O ARG A 69 7.283 8.637 22.873 1.00 25.46 O ATOM 1001 CB ARG A 69 8.216 11.726 24.043 1.00 23.25 C ATOM 1002 CG ARG A 69 7.547 13.121 24.285 1.00 24.47 C ATOM 1003 CD ARG A 69 8.494 14.331 24.464 1.00 25.80 C ATOM 1004 NE ARG A 69 7.805 15.355 25.318 1.00 25.93 N ATOM 1005 CZ ARG A 69 7.521 16.614 25.018 1.00 27.87 C ATOM 1006 NH1 ARG A 69 7.831 17.191 23.902 1.00 24.60 N ATOM 1007 NH2 ARG A 69 6.904 17.319 25.904 1.00 25.84 N ATOM 0 H ARG A 69 7.715 11.088 26.377 1.00 21.78 H new ATOM 0 HA ARG A 69 6.390 10.666 23.781 1.00 23.05 H new ATOM 0 HB2 ARG A 69 9.121 11.658 24.646 1.00 23.25 H new ATOM 0 HB3 ARG A 69 8.522 11.656 22.999 1.00 23.25 H new ATOM 0 HG2 ARG A 69 6.885 13.330 23.445 1.00 24.47 H new ATOM 0 HG3 ARG A 69 6.920 13.047 25.174 1.00 24.47 H new ATOM 0 HD2 ARG A 69 9.427 14.015 24.930 1.00 25.80 H new ATOM 0 HD3 ARG A 69 8.750 14.758 23.494 1.00 25.80 H new ATOM 0 HE ARG A 69 7.519 15.042 26.246 1.00 25.93 H new ATOM 0 HH11 ARG A 69 8.329 16.670 23.180 1.00 24.60 H new ATOM 0 HH12 ARG A 69 7.577 18.166 23.744 1.00 24.60 H new ATOM 0 HH21 ARG A 69 6.651 16.904 26.801 1.00 25.84 H new ATOM 0 HH22 ARG A 69 6.669 18.292 25.708 1.00 25.84 H new ATOM 1021 N ASN A 70 8.529 8.462 24.779 1.00 19.27 N ATOM 1022 CA ASN A 70 9.058 7.148 24.360 1.00 20.84 C ATOM 1023 C ASN A 70 8.047 6.023 24.535 1.00 27.05 C ATOM 1024 O ASN A 70 8.049 5.073 23.728 1.00 24.05 O ATOM 1025 CB ASN A 70 10.397 6.864 25.086 1.00 21.57 C ATOM 1026 CG ASN A 70 11.577 7.643 24.520 1.00 31.61 C ATOM 1027 OD1 ASN A 70 12.241 7.208 23.586 1.00 24.51 O ATOM 1028 ND2 ASN A 70 11.840 8.809 25.036 1.00 23.59 N ATOM 0 H ASN A 70 8.830 8.788 25.698 1.00 19.27 H new ATOM 0 HA ASN A 70 9.253 7.188 23.288 1.00 20.84 H new ATOM 0 HB2 ASN A 70 10.286 7.107 26.143 1.00 21.57 H new ATOM 0 HB3 ASN A 70 10.614 5.798 25.025 1.00 21.57 H new ATOM 0 HD21 ASN A 70 12.605 9.371 24.663 1.00 23.59 H new ATOM 0 HD22 ASN A 70 11.281 9.161 25.813 1.00 23.59 H new ATOM 1035 N TYR A 71 7.167 6.106 25.524 1.00 23.58 N ATOM 1036 CA TYR A 71 6.116 5.068 25.699 1.00 20.77 C ATOM 1037 C TYR A 71 5.027 5.277 24.669 1.00 24.21 C ATOM 1038 O TYR A 71 4.421 4.326 24.178 1.00 24.23 O ATOM 1039 CB TYR A 71 5.651 4.925 27.171 1.00 18.84 C ATOM 1040 CG TYR A 71 6.568 4.031 28.024 1.00 25.18 C ATOM 1041 CD1 TYR A 71 6.517 2.641 27.864 1.00 30.51 C ATOM 1042 CD2 TYR A 71 7.449 4.576 28.961 1.00 29.03 C ATOM 1043 CE1 TYR A 71 7.324 1.811 28.638 1.00 26.40 C ATOM 1044 CE2 TYR A 71 8.226 3.744 29.762 1.00 28.32 C ATOM 1045 CZ TYR A 71 8.159 2.363 29.603 1.00 29.76 C ATOM 1046 OH TYR A 71 8.925 1.545 30.385 1.00 27.54 O ATOM 0 H TYR A 71 7.144 6.858 26.213 1.00 23.58 H new ATOM 0 HA TYR A 71 6.532 4.081 25.498 1.00 20.77 H new ATOM 0 HB2 TYR A 71 5.599 5.915 27.624 1.00 18.84 H new ATOM 0 HB3 TYR A 71 4.641 4.514 27.186 1.00 18.84 H new ATOM 0 HD1 TYR A 71 5.847 2.209 27.135 1.00 30.51 H new ATOM 0 HD2 TYR A 71 7.528 5.648 29.064 1.00 29.03 H new ATOM 0 HE1 TYR A 71 7.301 0.742 28.489 1.00 26.40 H new ATOM 0 HE2 TYR A 71 8.881 4.170 30.507 1.00 28.32 H new ATOM 0 HH TYR A 71 9.868 1.646 30.139 1.00 27.54 H new ATOM 1056 N LYS A 72 4.747 6.530 24.293 1.00 24.33 N ATOM 1057 CA LYS A 72 3.766 6.725 23.223 1.00 26.41 C ATOM 1058 C LYS A 72 4.276 6.135 21.911 1.00 25.93 C ATOM 1059 O LYS A 72 3.533 5.506 21.158 1.00 32.75 O ATOM 1060 CB LYS A 72 3.324 8.215 23.039 1.00 26.26 C ATOM 1061 CG LYS A 72 2.119 8.651 23.904 1.00 32.48 C ATOM 1062 CD LYS A 72 1.200 9.710 23.258 1.00 35.93 C ATOM 1063 CE LYS A 72 -0.035 9.989 24.143 1.00 42.15 C ATOM 1064 NZ LYS A 72 -1.096 10.680 23.355 1.00 54.87 N ATOM 0 H LYS A 72 5.158 7.377 24.686 1.00 24.33 H new ATOM 0 HA LYS A 72 2.869 6.187 23.530 1.00 26.41 H new ATOM 0 HB2 LYS A 72 4.171 8.861 23.271 1.00 26.26 H new ATOM 0 HB3 LYS A 72 3.077 8.378 21.990 1.00 26.26 H new ATOM 0 HG2 LYS A 72 1.523 7.770 24.140 1.00 32.48 H new ATOM 0 HG3 LYS A 72 2.493 9.045 24.849 1.00 32.48 H new ATOM 0 HD2 LYS A 72 1.757 10.634 23.104 1.00 35.93 H new ATOM 0 HD3 LYS A 72 0.877 9.365 22.276 1.00 35.93 H new ATOM 0 HE2 LYS A 72 -0.423 9.052 24.543 1.00 42.15 H new ATOM 0 HE3 LYS A 72 0.252 10.605 24.995 1.00 42.15 H new ATOM 0 HZ1 LYS A 72 -1.919 10.860 23.964 1.00 54.87 H new ATOM 0 HZ2 LYS A 72 -0.728 11.583 22.994 1.00 54.87 H new ATOM 0 HZ3 LYS A 72 -1.382 10.079 22.556 1.00 54.87 H new ATOM 1078 N ALA A 73 5.549 6.372 21.643 1.00 25.02 N ATOM 1079 CA ALA A 73 6.154 5.804 20.409 1.00 33.63 C ATOM 1080 C ALA A 73 6.217 4.276 20.449 1.00 36.49 C ATOM 1081 O ALA A 73 6.198 3.644 19.388 1.00 34.49 O ATOM 1082 CB ALA A 73 7.537 6.468 20.268 1.00 22.83 C ATOM 0 H ALA A 73 6.177 6.927 22.224 1.00 25.02 H new ATOM 0 HA ALA A 73 5.543 6.017 19.532 1.00 33.63 H new ATOM 0 HB1 ALA A 73 8.033 6.089 19.375 1.00 22.83 H new ATOM 0 HB2 ALA A 73 7.415 7.548 20.185 1.00 22.83 H new ATOM 0 HB3 ALA A 73 8.142 6.237 21.145 1.00 22.83 H new ATOM 1088 N ALA A 74 6.277 3.637 21.620 1.00 30.09 N ATOM 1089 CA ALA A 74 6.329 2.180 21.787 1.00 28.91 C ATOM 1090 C ALA A 74 4.928 1.601 21.780 1.00 27.26 C ATOM 1091 O ALA A 74 4.634 0.431 21.681 1.00 39.57 O ATOM 1092 CB ALA A 74 7.093 1.896 23.095 1.00 31.08 C ATOM 0 H ALA A 74 6.291 4.136 22.510 1.00 30.09 H new ATOM 0 HA ALA A 74 6.853 1.698 20.962 1.00 28.91 H new ATOM 0 HB1 ALA A 74 7.153 0.819 23.255 1.00 31.08 H new ATOM 0 HB2 ALA A 74 8.099 2.309 23.026 1.00 31.08 H new ATOM 0 HB3 ALA A 74 6.568 2.358 23.931 1.00 31.08 H new ATOM 1098 N GLY A 75 3.916 2.458 21.893 1.00 26.72 N ATOM 1099 CA GLY A 75 2.570 1.955 21.781 1.00 30.45 C ATOM 1100 C GLY A 75 2.086 1.472 23.157 1.00 30.49 C ATOM 1101 O GLY A 75 1.162 0.672 23.158 1.00 26.10 O ATOM 0 H GLY A 75 4.004 3.461 22.055 1.00 26.72 H new ATOM 0 HA2 GLY A 75 1.909 2.736 21.405 1.00 30.45 H new ATOM 0 HA3 GLY A 75 2.536 1.135 21.063 1.00 30.45 H new ATOM 1105 N SER A 76 2.729 1.912 24.237 1.00 24.99 N ATOM 1106 CA SER A 76 2.302 1.438 25.549 1.00 24.33 C ATOM 1107 C SER A 76 2.263 2.542 26.594 1.00 26.65 C ATOM 1108 O SER A 76 2.590 2.304 27.764 1.00 29.44 O ATOM 1109 CB SER A 76 3.162 0.192 25.922 1.00 27.26 C ATOM 1110 OG SER A 76 4.568 0.438 25.849 1.00 39.65 O ATOM 0 H SER A 76 3.512 2.566 24.234 1.00 24.99 H new ATOM 0 HA SER A 76 1.261 1.118 25.515 1.00 24.33 H new ATOM 0 HB2 SER A 76 2.907 -0.128 26.932 1.00 27.26 H new ATOM 0 HB3 SER A 76 2.908 -0.630 25.253 1.00 27.26 H new ATOM 0 HG SER A 76 5.056 -0.376 26.094 1.00 39.65 H new ATOM 1116 N PHE A 77 1.795 3.671 26.109 1.00 27.80 N ATOM 1117 CA PHE A 77 1.653 4.801 27.043 1.00 26.57 C ATOM 1118 C PHE A 77 0.594 4.549 28.099 1.00 23.62 C ATOM 1119 O PHE A 77 0.805 4.877 29.246 1.00 26.16 O ATOM 1120 CB PHE A 77 1.375 6.068 26.181 1.00 30.34 C ATOM 1121 CG PHE A 77 0.810 7.326 26.876 1.00 29.15 C ATOM 1122 CD1 PHE A 77 1.649 8.269 27.473 1.00 32.22 C ATOM 1123 CD2 PHE A 77 -0.577 7.522 26.910 1.00 29.26 C ATOM 1124 CE1 PHE A 77 1.107 9.406 28.069 1.00 33.95 C ATOM 1125 CE2 PHE A 77 -1.115 8.652 27.518 1.00 33.16 C ATOM 1126 CZ PHE A 77 -0.271 9.601 28.085 1.00 32.16 C ATOM 0 H PHE A 77 1.519 3.843 25.142 1.00 27.80 H new ATOM 0 HA PHE A 77 2.568 4.941 27.619 1.00 26.57 H new ATOM 0 HB2 PHE A 77 2.309 6.350 25.696 1.00 30.34 H new ATOM 0 HB3 PHE A 77 0.679 5.785 25.392 1.00 30.34 H new ATOM 0 HD1 PHE A 77 2.718 8.117 27.473 1.00 32.22 H new ATOM 0 HD2 PHE A 77 -1.233 6.791 26.461 1.00 29.26 H new ATOM 0 HE1 PHE A 77 1.759 10.139 28.520 1.00 33.95 H new ATOM 0 HE2 PHE A 77 -2.185 8.792 27.550 1.00 33.16 H new ATOM 0 HZ PHE A 77 -0.685 10.490 28.538 1.00 32.16 H new ATOM 1136 N ASP A 78 -0.585 4.037 27.764 1.00 23.43 N ATOM 1137 CA ASP A 78 -1.662 3.906 28.758 1.00 27.31 C ATOM 1138 C ASP A 78 -1.209 2.993 29.895 1.00 25.83 C ATOM 1139 O ASP A 78 -1.500 3.285 31.093 1.00 33.03 O ATOM 1140 CB ASP A 78 -3.010 3.710 28.022 1.00 34.79 C ATOM 1141 CG ASP A 78 -3.384 4.951 27.191 1.00 42.15 C ATOM 1142 OD1 ASP A 78 -3.902 5.935 27.762 1.00 42.62 O ATOM 1143 OD2 ASP A 78 -3.046 4.989 25.988 1.00 37.56 O ATOM 0 H ASP A 78 -0.825 3.708 26.829 1.00 23.43 H new ATOM 0 HA ASP A 78 -1.885 4.805 29.333 1.00 27.31 H new ATOM 0 HB2 ASP A 78 -2.946 2.839 27.369 1.00 34.79 H new ATOM 0 HB3 ASP A 78 -3.797 3.507 28.749 1.00 34.79 H new ATOM 1148 N ALA A 79 -0.554 1.883 29.610 1.00 22.94 N ATOM 1149 CA ALA A 79 -0.153 0.952 30.651 1.00 25.71 C ATOM 1150 C ALA A 79 0.977 1.502 31.532 1.00 31.94 C ATOM 1151 O ALA A 79 1.174 0.948 32.637 1.00 31.12 O ATOM 1152 CB ALA A 79 0.234 -0.352 29.924 1.00 29.52 C ATOM 0 H ALA A 79 -0.288 1.603 28.666 1.00 22.94 H new ATOM 0 HA ALA A 79 -0.967 0.776 31.354 1.00 25.71 H new ATOM 0 HB1 ALA A 79 0.547 -1.097 30.655 1.00 29.52 H new ATOM 0 HB2 ALA A 79 -0.625 -0.727 29.368 1.00 29.52 H new ATOM 0 HB3 ALA A 79 1.054 -0.154 29.234 1.00 29.52 H new ATOM 1158 N ASN A 80 1.738 2.503 31.059 1.00 26.27 N ATOM 1159 CA ASN A 80 2.844 2.950 31.922 1.00 23.48 C ATOM 1160 C ASN A 80 2.728 4.363 32.472 1.00 24.46 C ATOM 1161 O ASN A 80 3.552 4.830 33.258 1.00 27.28 O ATOM 1162 CB ASN A 80 4.133 2.822 31.043 1.00 29.39 C ATOM 1163 CG ASN A 80 4.640 1.402 30.763 1.00 29.06 C ATOM 1164 OD1 ASN A 80 5.536 0.893 31.427 1.00 33.64 O ATOM 1165 ND2 ASN A 80 4.141 0.736 29.756 1.00 25.91 N ATOM 0 H ASN A 80 1.627 2.982 30.166 1.00 26.27 H new ATOM 0 HA ASN A 80 2.849 2.330 32.818 1.00 23.48 H new ATOM 0 HB2 ASN A 80 3.942 3.309 30.087 1.00 29.39 H new ATOM 0 HB3 ASN A 80 4.933 3.379 31.530 1.00 29.39 H new ATOM 0 HD21 ASN A 80 4.497 -0.193 29.532 1.00 25.91 H new ATOM 0 HD22 ASN A 80 3.395 1.145 29.193 1.00 25.91 H new ATOM 1172 N LYS A 81 1.720 5.100 32.063 1.00 28.88 N ATOM 1173 CA LYS A 81 1.530 6.497 32.425 1.00 29.55 C ATOM 1174 C LYS A 81 1.642 6.753 33.918 1.00 28.65 C ATOM 1175 O LYS A 81 2.234 7.714 34.400 1.00 24.17 O ATOM 1176 CB LYS A 81 0.193 6.981 31.789 1.00 25.93 C ATOM 1177 CG LYS A 81 -0.023 8.508 31.874 1.00 27.23 C ATOM 1178 CD LYS A 81 -1.468 8.915 31.524 1.00 29.98 C ATOM 1179 CE LYS A 81 -1.695 10.437 31.557 1.00 33.62 C ATOM 1180 NZ LYS A 81 -1.659 10.946 32.970 1.00 32.11 N ATOM 0 H LYS A 81 0.987 4.740 31.453 1.00 28.88 H new ATOM 0 HA LYS A 81 2.345 7.096 32.019 1.00 29.55 H new ATOM 0 HB2 LYS A 81 0.169 6.678 30.742 1.00 25.93 H new ATOM 0 HB3 LYS A 81 -0.637 6.478 32.285 1.00 25.93 H new ATOM 0 HG2 LYS A 81 0.215 8.851 32.881 1.00 27.23 H new ATOM 0 HG3 LYS A 81 0.668 9.009 31.195 1.00 27.23 H new ATOM 0 HD2 LYS A 81 -1.714 8.539 30.531 1.00 29.98 H new ATOM 0 HD3 LYS A 81 -2.153 8.437 32.224 1.00 29.98 H new ATOM 0 HE2 LYS A 81 -0.929 10.937 30.965 1.00 33.62 H new ATOM 0 HE3 LYS A 81 -2.656 10.677 31.103 1.00 33.62 H new ATOM 0 HZ1 LYS A 81 -1.780 11.979 32.970 1.00 32.11 H new ATOM 0 HZ2 LYS A 81 -2.427 10.507 33.517 1.00 32.11 H new ATOM 0 HZ3 LYS A 81 -0.745 10.705 33.403 1.00 32.11 H new ATOM 1194 N SER A 82 0.942 5.864 34.638 1.00 27.90 N ATOM 1195 CA SER A 82 0.836 6.260 36.045 1.00 27.73 C ATOM 1196 C SER A 82 2.170 6.111 36.740 1.00 27.33 C ATOM 1197 O SER A 82 2.483 6.853 37.670 1.00 24.66 O ATOM 1198 CB SER A 82 -0.287 5.413 36.702 1.00 33.04 C ATOM 1199 OG SER A 82 0.011 4.011 36.708 1.00 43.63 O ATOM 0 H SER A 82 0.502 4.996 34.333 1.00 27.90 H new ATOM 0 HA SER A 82 0.569 7.313 36.134 1.00 27.73 H new ATOM 0 HB2 SER A 82 -0.441 5.752 37.726 1.00 33.04 H new ATOM 0 HB3 SER A 82 -1.222 5.579 36.168 1.00 33.04 H new ATOM 0 HG SER A 82 -0.724 3.522 37.133 1.00 43.63 H new ATOM 1205 N ARG A 83 3.041 5.191 36.255 1.00 23.60 N ATOM 1206 CA ARG A 83 4.339 5.090 36.871 1.00 23.22 C ATOM 1207 C ARG A 83 5.166 6.332 36.526 1.00 24.11 C ATOM 1208 O ARG A 83 5.856 6.884 37.379 1.00 21.53 O ATOM 1209 CB ARG A 83 5.002 3.746 36.454 1.00 25.82 C ATOM 1210 CG ARG A 83 6.326 3.432 37.206 1.00 24.66 C ATOM 1211 CD ARG A 83 7.089 2.194 36.697 1.00 26.40 C ATOM 1212 NE ARG A 83 7.774 2.492 35.401 1.00 26.26 N ATOM 1213 CZ ARG A 83 7.438 2.038 34.208 1.00 27.42 C ATOM 1214 NH1 ARG A 83 6.511 1.150 34.016 1.00 28.26 N ATOM 1215 NH2 ARG A 83 8.065 2.506 33.180 1.00 32.15 N ATOM 0 H ARG A 83 2.862 4.551 35.481 1.00 23.60 H new ATOM 0 HA ARG A 83 4.262 5.070 37.958 1.00 23.22 H new ATOM 0 HB2 ARG A 83 4.296 2.935 36.630 1.00 25.82 H new ATOM 0 HB3 ARG A 83 5.202 3.769 35.383 1.00 25.82 H new ATOM 0 HG2 ARG A 83 6.982 4.299 37.132 1.00 24.66 H new ATOM 0 HG3 ARG A 83 6.101 3.291 38.263 1.00 24.66 H new ATOM 0 HD2 ARG A 83 7.824 1.883 37.439 1.00 26.40 H new ATOM 0 HD3 ARG A 83 6.397 1.362 36.566 1.00 26.40 H new ATOM 0 HE ARG A 83 8.584 3.110 35.444 1.00 26.26 H new ATOM 0 HH11 ARG A 83 6.000 0.766 34.811 1.00 28.26 H new ATOM 0 HH12 ARG A 83 6.294 0.836 33.070 1.00 28.26 H new ATOM 0 HH21 ARG A 83 8.796 3.206 33.304 1.00 32.15 H new ATOM 0 HH22 ARG A 83 7.829 2.175 32.244 1.00 32.15 H new ATOM 1229 N ILE A 84 5.054 6.724 35.260 1.00 25.49 N ATOM 1230 CA ILE A 84 5.846 7.911 34.805 1.00 22.79 C ATOM 1231 C ILE A 84 5.423 9.149 35.577 1.00 22.25 C ATOM 1232 O ILE A 84 6.292 9.926 36.035 1.00 25.19 O ATOM 1233 CB ILE A 84 5.745 8.070 33.239 1.00 23.34 C ATOM 1234 CG1 ILE A 84 6.162 6.814 32.410 1.00 23.14 C ATOM 1235 CG2 ILE A 84 6.559 9.282 32.713 1.00 26.09 C ATOM 1236 CD1 ILE A 84 5.422 6.699 31.066 1.00 29.28 C ATOM 0 H ILE A 84 4.466 6.283 34.552 1.00 25.49 H new ATOM 0 HA ILE A 84 6.903 7.761 35.024 1.00 22.79 H new ATOM 0 HB ILE A 84 4.677 8.225 33.085 1.00 23.34 H new ATOM 0 HG12 ILE A 84 7.235 6.850 32.224 1.00 23.14 H new ATOM 0 HG13 ILE A 84 5.971 5.918 33.000 1.00 23.14 H new ATOM 0 HG21 ILE A 84 6.456 9.347 31.630 1.00 26.09 H new ATOM 0 HG22 ILE A 84 6.183 10.198 33.169 1.00 26.09 H new ATOM 0 HG23 ILE A 84 7.610 9.154 32.971 1.00 26.09 H new ATOM 0 HD11 ILE A 84 5.758 5.805 30.541 1.00 29.28 H new ATOM 0 HD12 ILE A 84 4.349 6.632 31.246 1.00 29.28 H new ATOM 0 HD13 ILE A 84 5.633 7.578 30.458 1.00 29.28 H new ATOM 1248 N ASP A 85 4.096 9.264 35.799 1.00 21.40 N ATOM 1249 CA ASP A 85 3.615 10.413 36.570 1.00 27.41 C ATOM 1250 C ASP A 85 4.135 10.322 38.007 1.00 27.34 C ATOM 1251 O ASP A 85 4.539 11.327 38.569 1.00 24.42 O ATOM 1252 CB ASP A 85 2.063 10.488 36.484 1.00 22.98 C ATOM 1253 CG ASP A 85 1.489 10.847 35.120 1.00 23.35 C ATOM 1254 OD1 ASP A 85 2.207 11.459 34.307 1.00 28.40 O ATOM 1255 OD2 ASP A 85 0.302 10.545 34.855 1.00 30.61 O ATOM 0 H ASP A 85 3.381 8.613 35.474 1.00 21.40 H new ATOM 0 HA ASP A 85 4.000 11.343 36.152 1.00 27.41 H new ATOM 0 HB2 ASP A 85 1.655 9.524 36.786 1.00 22.98 H new ATOM 0 HB3 ASP A 85 1.713 11.223 37.209 1.00 22.98 H new ATOM 1260 N SER A 86 4.137 9.130 38.612 1.00 26.87 N ATOM 1261 CA SER A 86 4.645 9.032 39.976 1.00 27.47 C ATOM 1262 C SER A 86 6.136 9.302 40.059 1.00 25.35 C ATOM 1263 O SER A 86 6.582 9.900 41.071 1.00 24.01 O ATOM 1264 CB SER A 86 4.179 7.685 40.579 1.00 23.49 C ATOM 1265 OG SER A 86 2.759 7.519 40.457 1.00 32.95 O ATOM 0 H SER A 86 3.808 8.258 38.199 1.00 26.87 H new ATOM 0 HA SER A 86 4.224 9.823 40.597 1.00 27.47 H new ATOM 0 HB2 SER A 86 4.687 6.864 40.074 1.00 23.49 H new ATOM 0 HB3 SER A 86 4.463 7.638 41.630 1.00 23.49 H new ATOM 0 HG SER A 86 2.538 7.255 39.539 1.00 32.95 H new ATOM 1271 N ALA A 87 6.901 8.859 39.047 1.00 23.32 N ATOM 1272 CA ALA A 87 8.345 9.116 39.044 1.00 22.74 C ATOM 1273 C ALA A 87 8.613 10.598 38.972 1.00 21.51 C ATOM 1274 O ALA A 87 9.580 11.116 39.550 1.00 21.75 O ATOM 1275 CB ALA A 87 8.881 8.298 37.849 1.00 23.27 C ATOM 0 H ALA A 87 6.554 8.336 38.243 1.00 23.32 H new ATOM 0 HA ALA A 87 8.856 8.807 39.956 1.00 22.74 H new ATOM 0 HB1 ALA A 87 9.960 8.432 37.771 1.00 23.27 H new ATOM 0 HB2 ALA A 87 8.657 7.242 38.001 1.00 23.27 H new ATOM 0 HB3 ALA A 87 8.405 8.642 36.930 1.00 23.27 H new ATOM 1281 N PHE A 88 7.748 11.301 38.223 1.00 21.27 N ATOM 1282 CA PHE A 88 7.807 12.767 38.143 1.00 23.20 C ATOM 1283 C PHE A 88 7.646 13.430 39.521 1.00 21.02 C ATOM 1284 O PHE A 88 8.402 14.322 39.930 1.00 20.65 O ATOM 1285 CB PHE A 88 6.850 13.256 37.032 1.00 23.88 C ATOM 1286 CG PHE A 88 6.563 14.766 36.910 1.00 25.52 C ATOM 1287 CD1 PHE A 88 7.588 15.677 36.637 1.00 24.63 C ATOM 1288 CD2 PHE A 88 5.247 15.226 37.003 1.00 26.71 C ATOM 1289 CE1 PHE A 88 7.295 17.022 36.428 1.00 27.63 C ATOM 1290 CE2 PHE A 88 4.951 16.568 36.777 1.00 24.12 C ATOM 1291 CZ PHE A 88 5.976 17.464 36.481 1.00 24.18 C ATOM 0 H PHE A 88 7.004 10.879 37.667 1.00 21.27 H new ATOM 0 HA PHE A 88 8.802 13.093 37.841 1.00 23.20 H new ATOM 0 HB2 PHE A 88 7.253 12.919 36.077 1.00 23.88 H new ATOM 0 HB3 PHE A 88 5.895 12.749 37.172 1.00 23.88 H new ATOM 0 HD1 PHE A 88 8.612 15.336 36.588 1.00 24.63 H new ATOM 0 HD2 PHE A 88 4.454 14.536 37.252 1.00 26.71 H new ATOM 0 HE1 PHE A 88 8.091 17.723 36.225 1.00 27.63 H new ATOM 0 HE2 PHE A 88 3.929 16.913 36.831 1.00 24.12 H new ATOM 0 HZ PHE A 88 5.747 18.502 36.292 1.00 24.18 H new ATOM 1301 N TYR A 89 6.616 12.939 40.200 1.00 20.86 N ATOM 1302 CA TYR A 89 6.425 13.409 41.605 1.00 21.78 C ATOM 1303 C TYR A 89 7.618 13.102 42.486 1.00 23.15 C ATOM 1304 O TYR A 89 8.151 13.974 43.218 1.00 22.65 O ATOM 1305 CB TYR A 89 5.083 12.879 42.168 1.00 23.92 C ATOM 1306 CG TYR A 89 4.572 13.465 43.508 1.00 25.97 C ATOM 1307 CD1 TYR A 89 4.696 14.825 43.829 1.00 27.90 C ATOM 1308 CD2 TYR A 89 3.912 12.616 44.404 1.00 30.61 C ATOM 1309 CE1 TYR A 89 4.204 15.315 45.035 1.00 29.67 C ATOM 1310 CE2 TYR A 89 3.397 13.114 45.600 1.00 31.91 C ATOM 1311 CZ TYR A 89 3.555 14.459 45.918 1.00 31.44 C ATOM 1312 OH TYR A 89 3.111 14.931 47.121 1.00 36.25 O ATOM 0 H TYR A 89 5.935 12.264 39.852 1.00 20.86 H new ATOM 0 HA TYR A 89 6.363 14.497 41.599 1.00 21.78 H new ATOM 0 HB2 TYR A 89 4.314 13.050 41.414 1.00 23.92 H new ATOM 0 HB3 TYR A 89 5.175 11.800 42.290 1.00 23.92 H new ATOM 0 HD1 TYR A 89 5.177 15.497 43.134 1.00 27.90 H new ATOM 0 HD2 TYR A 89 3.801 11.568 44.167 1.00 30.61 H new ATOM 0 HE1 TYR A 89 4.326 16.359 45.285 1.00 29.67 H new ATOM 0 HE2 TYR A 89 2.876 12.456 46.279 1.00 31.91 H new ATOM 0 HH TYR A 89 2.679 14.205 47.618 1.00 36.25 H new ATOM 1322 N GLU A 90 8.181 11.905 42.531 1.00 25.50 N ATOM 1323 CA GLU A 90 9.372 11.567 43.266 1.00 23.29 C ATOM 1324 C GLU A 90 10.559 12.415 42.833 1.00 23.10 C ATOM 1325 O GLU A 90 11.335 12.910 43.673 1.00 23.57 O ATOM 1326 CB GLU A 90 9.692 10.048 43.173 1.00 20.64 C ATOM 1327 CG GLU A 90 8.692 8.987 43.708 1.00 25.17 C ATOM 1328 CD GLU A 90 8.123 9.129 45.095 1.00 28.97 C ATOM 1329 OE1 GLU A 90 8.850 9.498 46.035 1.00 33.93 O ATOM 1330 OE2 GLU A 90 6.904 8.917 45.254 1.00 40.20 O ATOM 0 H GLU A 90 7.793 11.107 42.027 1.00 25.50 H new ATOM 0 HA GLU A 90 9.177 11.794 44.314 1.00 23.29 H new ATOM 0 HB2 GLU A 90 9.865 9.822 42.121 1.00 20.64 H new ATOM 0 HB3 GLU A 90 10.636 9.888 43.693 1.00 20.64 H new ATOM 0 HG2 GLU A 90 7.852 8.952 43.014 1.00 25.17 H new ATOM 0 HG3 GLU A 90 9.188 8.018 43.657 1.00 25.17 H new ATOM 1337 N ASP A 91 10.790 12.680 41.521 1.00 20.90 N ATOM 1338 CA ASP A 91 11.846 13.600 41.134 1.00 25.89 C ATOM 1339 C ASP A 91 11.663 14.999 41.738 1.00 24.43 C ATOM 1340 O ASP A 91 12.603 15.621 42.223 1.00 23.30 O ATOM 1341 CB ASP A 91 11.934 13.588 39.592 1.00 23.64 C ATOM 1342 CG ASP A 91 12.277 12.249 38.967 1.00 31.21 C ATOM 1343 OD1 ASP A 91 12.852 11.353 39.620 1.00 23.90 O ATOM 1344 OD2 ASP A 91 12.031 12.080 37.759 1.00 24.45 O ATOM 0 H ASP A 91 10.266 12.273 40.746 1.00 20.90 H new ATOM 0 HA ASP A 91 12.801 13.272 41.544 1.00 25.89 H new ATOM 0 HB2 ASP A 91 10.979 13.923 39.189 1.00 23.64 H new ATOM 0 HB3 ASP A 91 12.684 14.316 39.283 1.00 23.64 H new ATOM 1349 N MET A 92 10.441 15.547 41.690 1.00 24.48 N ATOM 1350 CA MET A 92 10.163 16.850 42.271 1.00 25.24 C ATOM 1351 C MET A 92 10.357 16.836 43.809 1.00 25.59 C ATOM 1352 O MET A 92 10.971 17.757 44.385 1.00 26.13 O ATOM 1353 CB MET A 92 8.761 17.365 41.849 1.00 20.88 C ATOM 1354 CG MET A 92 8.601 17.737 40.358 1.00 22.01 C ATOM 1355 SD MET A 92 6.986 18.467 40.030 1.00 24.58 S ATOM 1356 CE MET A 92 5.925 17.024 40.206 1.00 24.88 C ATOM 0 H MET A 92 9.635 15.101 41.253 1.00 24.48 H new ATOM 0 HA MET A 92 10.889 17.560 41.875 1.00 25.24 H new ATOM 0 HB2 MET A 92 8.025 16.599 42.094 1.00 20.88 H new ATOM 0 HB3 MET A 92 8.521 18.242 42.450 1.00 20.88 H new ATOM 0 HG2 MET A 92 9.384 18.439 40.071 1.00 22.01 H new ATOM 0 HG3 MET A 92 8.731 16.846 39.744 1.00 22.01 H new ATOM 0 HE1 MET A 92 4.934 17.251 39.812 1.00 24.88 H new ATOM 0 HE2 MET A 92 6.353 16.188 39.652 1.00 24.88 H new ATOM 0 HE3 MET A 92 5.845 16.758 41.260 1.00 24.88 H new ATOM 1366 N LYS A 93 9.856 15.803 44.473 1.00 24.48 N ATOM 1367 CA LYS A 93 10.135 15.775 45.917 1.00 28.16 C ATOM 1368 C LYS A 93 11.637 15.696 46.209 1.00 27.61 C ATOM 1369 O LYS A 93 12.024 16.303 47.207 1.00 24.56 O ATOM 1370 CB LYS A 93 9.369 14.591 46.554 1.00 25.17 C ATOM 1371 CG LYS A 93 7.826 14.746 46.553 1.00 28.99 C ATOM 1372 CD LYS A 93 7.073 13.486 47.012 1.00 35.17 C ATOM 1373 CE LYS A 93 7.246 12.292 46.051 1.00 39.22 C ATOM 1374 NZ LYS A 93 6.316 11.218 46.479 1.00 43.34 N ATOM 0 H LYS A 93 9.304 15.036 44.089 1.00 24.48 H new ATOM 0 HA LYS A 93 9.789 16.708 46.361 1.00 28.16 H new ATOM 0 HB2 LYS A 93 9.630 13.677 46.020 1.00 25.17 H new ATOM 0 HB3 LYS A 93 9.708 14.467 47.582 1.00 25.17 H new ATOM 0 HG2 LYS A 93 7.554 15.577 47.203 1.00 28.99 H new ATOM 0 HG3 LYS A 93 7.498 15.007 45.547 1.00 28.99 H new ATOM 0 HD2 LYS A 93 7.425 13.201 48.003 1.00 35.17 H new ATOM 0 HD3 LYS A 93 6.012 13.718 47.106 1.00 35.17 H new ATOM 0 HE2 LYS A 93 7.032 12.594 45.026 1.00 39.22 H new ATOM 0 HE3 LYS A 93 8.275 11.934 46.070 1.00 39.22 H new ATOM 0 HZ1 LYS A 93 6.237 10.506 45.725 1.00 43.34 H new ATOM 0 HZ2 LYS A 93 6.680 10.768 47.343 1.00 43.34 H new ATOM 0 HZ3 LYS A 93 5.379 11.626 46.669 1.00 43.34 H new ATOM 1388 N ARG A 94 12.465 15.030 45.389 1.00 24.39 N ATOM 1389 CA ARG A 94 13.876 15.046 45.606 1.00 24.58 C ATOM 1390 C ARG A 94 14.417 16.478 45.445 1.00 22.71 C ATOM 1391 O ARG A 94 15.388 16.810 46.119 1.00 25.69 O ATOM 1392 CB ARG A 94 14.573 13.999 44.698 1.00 26.70 C ATOM 1393 CG ARG A 94 14.428 12.550 45.227 1.00 25.54 C ATOM 1394 CD ARG A 94 15.175 11.495 44.395 1.00 29.31 C ATOM 1395 NE ARG A 94 14.429 11.109 43.160 1.00 26.77 N ATOM 1396 CZ ARG A 94 13.554 10.127 43.050 1.00 28.97 C ATOM 1397 NH1 ARG A 94 13.169 9.389 44.049 1.00 26.35 N ATOM 1398 NH2 ARG A 94 13.047 9.883 41.894 1.00 21.63 N ATOM 0 H ARG A 94 12.162 14.485 44.582 1.00 24.39 H new ATOM 0 HA ARG A 94 14.104 14.749 46.630 1.00 24.58 H new ATOM 0 HB2 ARG A 94 14.151 14.058 43.695 1.00 26.70 H new ATOM 0 HB3 ARG A 94 15.631 14.246 44.614 1.00 26.70 H new ATOM 0 HG2 ARG A 94 14.794 12.512 46.253 1.00 25.54 H new ATOM 0 HG3 ARG A 94 13.370 12.290 45.256 1.00 25.54 H new ATOM 0 HD2 ARG A 94 16.155 11.883 44.117 1.00 29.31 H new ATOM 0 HD3 ARG A 94 15.344 10.608 45.006 1.00 29.31 H new ATOM 0 HE ARG A 94 14.614 11.658 42.320 1.00 26.77 H new ATOM 0 HH11 ARG A 94 13.547 9.555 44.981 1.00 26.35 H new ATOM 0 HH12 ARG A 94 12.489 8.644 43.900 1.00 26.35 H new ATOM 0 HH21 ARG A 94 13.323 10.443 41.087 1.00 21.63 H new ATOM 0 HH22 ARG A 94 12.369 9.129 41.783 1.00 21.63 H new ATOM 1412 N VAL A 95 13.812 17.356 44.623 1.00 21.63 N ATOM 1413 CA VAL A 95 14.239 18.765 44.566 1.00 25.30 C ATOM 1414 C VAL A 95 13.901 19.433 45.890 1.00 24.10 C ATOM 1415 O VAL A 95 14.699 20.171 46.503 1.00 24.86 O ATOM 1416 CB VAL A 95 13.661 19.493 43.293 1.00 28.46 C ATOM 1417 CG1 VAL A 95 13.975 21.008 43.235 1.00 23.73 C ATOM 1418 CG2 VAL A 95 14.155 18.897 41.953 1.00 22.21 C ATOM 0 H VAL A 95 13.040 17.120 44.000 1.00 21.63 H new ATOM 0 HA VAL A 95 15.320 18.833 44.441 1.00 25.30 H new ATOM 0 HB VAL A 95 12.589 19.334 43.409 1.00 28.46 H new ATOM 0 HG11 VAL A 95 13.543 21.435 42.330 1.00 23.73 H new ATOM 0 HG12 VAL A 95 13.548 21.502 44.108 1.00 23.73 H new ATOM 0 HG13 VAL A 95 15.055 21.156 43.226 1.00 23.73 H new ATOM 0 HG21 VAL A 95 13.714 19.451 41.124 1.00 22.21 H new ATOM 0 HG22 VAL A 95 15.241 18.970 41.901 1.00 22.21 H new ATOM 0 HG23 VAL A 95 13.858 17.850 41.889 1.00 22.21 H new ATOM 1428 N CYS A 96 12.720 19.210 46.375 1.00 20.97 N ATOM 1429 CA CYS A 96 12.239 19.878 47.601 1.00 23.93 C ATOM 1430 C CYS A 96 13.029 19.493 48.831 1.00 24.69 C ATOM 1431 O CYS A 96 13.006 20.258 49.794 1.00 23.02 O ATOM 1432 CB CYS A 96 10.743 19.515 47.730 1.00 22.26 C ATOM 1433 SG CYS A 96 9.786 20.266 46.403 1.00 26.42 S ATOM 0 H CYS A 96 12.046 18.569 45.955 1.00 20.97 H new ATOM 0 HA CYS A 96 12.376 20.957 47.524 1.00 23.93 H new ATOM 0 HB2 CYS A 96 10.623 18.432 47.703 1.00 22.26 H new ATOM 0 HB3 CYS A 96 10.364 19.853 48.694 1.00 22.26 H new ATOM 1438 N THR A 97 13.707 18.356 48.740 1.00 23.33 N ATOM 1439 CA THR A 97 14.550 17.896 49.851 1.00 25.42 C ATOM 1440 C THR A 97 15.620 18.929 50.162 1.00 28.39 C ATOM 1441 O THR A 97 16.038 19.117 51.305 1.00 27.32 O ATOM 1442 CB THR A 97 15.086 16.468 49.513 1.00 28.37 C ATOM 1443 OG1 THR A 97 14.011 15.590 49.176 1.00 29.50 O ATOM 1444 CG2 THR A 97 15.832 15.775 50.663 1.00 36.77 C ATOM 0 H THR A 97 13.695 17.741 47.927 1.00 23.33 H new ATOM 0 HA THR A 97 13.980 17.801 50.775 1.00 25.42 H new ATOM 0 HB THR A 97 15.777 16.640 48.687 1.00 28.37 H new ATOM 0 HG1 THR A 97 13.542 15.935 48.388 1.00 29.50 H new ATOM 0 HG21 THR A 97 16.168 14.790 50.338 1.00 36.77 H new ATOM 0 HG22 THR A 97 16.695 16.376 50.951 1.00 36.77 H new ATOM 0 HG23 THR A 97 15.164 15.667 51.517 1.00 36.77 H new ATOM 1452 N GLY A 98 16.066 19.720 49.167 1.00 27.53 N ATOM 1453 CA GLY A 98 17.067 20.736 49.524 1.00 24.98 C ATOM 1454 C GLY A 98 16.530 22.005 50.157 1.00 30.57 C ATOM 1455 O GLY A 98 17.329 22.914 50.387 1.00 30.26 O ATOM 0 H GLY A 98 15.778 19.684 48.189 1.00 27.53 H new ATOM 0 HA2 GLY A 98 17.783 20.286 50.211 1.00 24.98 H new ATOM 0 HA3 GLY A 98 17.617 21.008 48.623 1.00 24.98 H new ATOM 1459 N TYR A 99 15.232 22.110 50.425 1.00 25.44 N ATOM 1460 CA TYR A 99 14.704 23.263 51.125 1.00 25.38 C ATOM 1461 C TYR A 99 14.207 22.787 52.494 1.00 29.70 C ATOM 1462 O TYR A 99 13.708 21.653 52.591 1.00 27.35 O ATOM 1463 CB TYR A 99 13.493 23.810 50.297 1.00 28.13 C ATOM 1464 CG TYR A 99 13.786 24.457 48.929 1.00 34.67 C ATOM 1465 CD1 TYR A 99 13.914 23.655 47.788 1.00 32.06 C ATOM 1466 CD2 TYR A 99 13.881 25.846 48.801 1.00 38.29 C ATOM 1467 CE1 TYR A 99 14.134 24.234 46.540 1.00 33.16 C ATOM 1468 CE2 TYR A 99 14.096 26.425 47.551 1.00 35.91 C ATOM 1469 CZ TYR A 99 14.224 25.617 46.423 1.00 40.68 C ATOM 1470 OH TYR A 99 14.394 26.183 45.190 1.00 58.56 O ATOM 0 H TYR A 99 14.534 21.412 50.167 1.00 25.44 H new ATOM 0 HA TYR A 99 15.458 24.041 51.247 1.00 25.38 H new ATOM 0 HB2 TYR A 99 12.799 22.985 50.135 1.00 28.13 H new ATOM 0 HB3 TYR A 99 12.974 24.546 50.911 1.00 28.13 H new ATOM 0 HD1 TYR A 99 13.842 22.581 47.876 1.00 32.06 H new ATOM 0 HD2 TYR A 99 13.787 26.474 49.675 1.00 38.29 H new ATOM 0 HE1 TYR A 99 14.235 23.610 45.664 1.00 33.16 H new ATOM 0 HE2 TYR A 99 14.163 27.499 47.457 1.00 35.91 H new ATOM 0 HH TYR A 99 14.437 27.158 45.281 1.00 58.56 H new ATOM 1480 N THR A 100 14.320 23.617 53.548 1.00 27.44 N ATOM 1481 CA THR A 100 13.745 23.172 54.832 1.00 31.57 C ATOM 1482 C THR A 100 12.801 24.232 55.399 1.00 28.96 C ATOM 1483 O THR A 100 12.534 25.249 54.762 1.00 30.02 O ATOM 1484 CB THR A 100 14.944 22.739 55.755 1.00 33.00 C ATOM 1485 OG1 THR A 100 14.455 22.057 56.905 1.00 43.49 O ATOM 1486 CG2 THR A 100 15.875 23.847 56.282 1.00 28.90 C ATOM 0 H THR A 100 14.769 24.533 53.546 1.00 27.44 H new ATOM 0 HA THR A 100 13.099 22.301 54.726 1.00 31.57 H new ATOM 0 HB THR A 100 15.542 22.124 55.082 1.00 33.00 H new ATOM 0 HG1 THR A 100 15.208 21.790 57.472 1.00 43.49 H new ATOM 0 HG21 THR A 100 16.654 23.403 56.903 1.00 28.90 H new ATOM 0 HG22 THR A 100 16.334 24.367 55.441 1.00 28.90 H new ATOM 0 HG23 THR A 100 15.298 24.556 56.876 1.00 28.90 H new ATOM 1494 N GLY A 101 12.244 23.986 56.594 1.00 26.17 N ATOM 1495 CA GLY A 101 11.276 24.903 57.137 1.00 25.38 C ATOM 1496 C GLY A 101 10.105 25.148 56.181 1.00 25.88 C ATOM 1497 O GLY A 101 9.747 24.271 55.363 1.00 29.15 O ATOM 0 H GLY A 101 12.451 23.176 57.178 1.00 26.17 H new ATOM 0 HA2 GLY A 101 10.896 24.510 58.080 1.00 25.38 H new ATOM 0 HA3 GLY A 101 11.764 25.852 57.361 1.00 25.38 H new ATOM 1501 N GLU A 102 9.461 26.315 56.243 1.00 28.04 N ATOM 1502 CA GLU A 102 8.319 26.614 55.386 1.00 31.13 C ATOM 1503 C GLU A 102 8.598 26.468 53.884 1.00 25.55 C ATOM 1504 O GLU A 102 7.663 26.232 53.107 1.00 29.34 O ATOM 1505 CB GLU A 102 7.988 28.145 55.479 1.00 38.37 C ATOM 1506 CG GLU A 102 7.826 28.977 56.777 1.00 51.60 C ATOM 1507 CD GLU A 102 8.040 30.447 56.433 1.00 59.91 C ATOM 1508 OE1 GLU A 102 7.179 31.044 55.759 1.00 70.06 O ATOM 1509 OE2 GLU A 102 9.174 30.941 56.610 1.00 51.53 O ATOM 0 H GLU A 102 9.714 27.069 56.881 1.00 28.04 H new ATOM 0 HA GLU A 102 7.548 25.923 55.726 1.00 31.13 H new ATOM 0 HB2 GLU A 102 8.768 28.647 54.906 1.00 38.37 H new ATOM 0 HB3 GLU A 102 7.055 28.276 54.931 1.00 38.37 H new ATOM 0 HG2 GLU A 102 6.834 28.827 57.203 1.00 51.60 H new ATOM 0 HG3 GLU A 102 8.547 28.654 57.528 1.00 51.60 H new ATOM 1516 N LYS A 103 9.855 26.659 53.523 1.00 24.58 N ATOM 1517 CA LYS A 103 10.148 26.573 52.067 1.00 27.62 C ATOM 1518 C LYS A 103 9.912 25.166 51.587 1.00 24.91 C ATOM 1519 O LYS A 103 9.493 24.985 50.441 1.00 25.22 O ATOM 1520 CB LYS A 103 11.500 27.305 51.793 1.00 29.32 C ATOM 1521 CG LYS A 103 11.701 28.742 52.400 1.00 36.94 C ATOM 1522 CD LYS A 103 10.755 29.876 51.903 1.00 49.68 C ATOM 1523 CE LYS A 103 10.675 31.133 52.826 1.00 63.26 C ATOM 1524 NZ LYS A 103 9.552 30.983 53.804 1.00 86.31 N ATOM 0 H LYS A 103 10.642 26.859 54.141 1.00 24.58 H new ATOM 0 HA LYS A 103 9.463 27.119 51.419 1.00 27.62 H new ATOM 0 HB2 LYS A 103 12.304 26.670 52.165 1.00 29.32 H new ATOM 0 HB3 LYS A 103 11.626 27.379 50.713 1.00 29.32 H new ATOM 0 HG2 LYS A 103 11.595 28.667 53.482 1.00 36.94 H new ATOM 0 HG3 LYS A 103 12.727 29.050 52.201 1.00 36.94 H new ATOM 0 HD2 LYS A 103 11.084 30.193 50.913 1.00 49.68 H new ATOM 0 HD3 LYS A 103 9.752 29.465 51.789 1.00 49.68 H new ATOM 0 HE2 LYS A 103 11.617 31.263 53.359 1.00 63.26 H new ATOM 0 HE3 LYS A 103 10.525 32.028 52.222 1.00 63.26 H new ATOM 0 HZ1 LYS A 103 9.033 31.881 53.877 1.00 86.31 H new ATOM 0 HZ2 LYS A 103 8.906 30.235 53.479 1.00 86.31 H new ATOM 0 HZ3 LYS A 103 9.935 30.728 54.737 1.00 86.31 H new ATOM 1538 N ASN A 104 10.194 24.185 52.511 1.00 24.36 N ATOM 1539 CA ASN A 104 9.963 22.791 52.117 1.00 24.41 C ATOM 1540 C ASN A 104 8.506 22.564 51.875 1.00 24.09 C ATOM 1541 O ASN A 104 7.983 21.922 50.936 1.00 24.55 O ATOM 1542 CB ASN A 104 10.517 21.871 53.238 1.00 23.95 C ATOM 1543 CG ASN A 104 10.461 20.362 53.002 1.00 26.84 C ATOM 1544 OD1 ASN A 104 9.507 19.691 53.373 1.00 24.89 O ATOM 1545 ND2 ASN A 104 11.456 19.765 52.406 1.00 25.97 N ATOM 0 H ASN A 104 10.552 24.335 53.454 1.00 24.36 H new ATOM 0 HA ASN A 104 10.481 22.560 51.186 1.00 24.41 H new ATOM 0 HB2 ASN A 104 11.557 22.146 53.416 1.00 23.95 H new ATOM 0 HB3 ASN A 104 9.969 22.089 54.154 1.00 23.95 H new ATOM 0 HD21 ASN A 104 11.430 18.756 52.256 1.00 25.97 H new ATOM 0 HD22 ASN A 104 12.260 20.307 52.089 1.00 25.97 H new ATOM 1552 N THR A 105 7.703 23.179 52.764 1.00 23.52 N ATOM 1553 CA THR A 105 6.282 22.973 52.614 1.00 25.29 C ATOM 1554 C THR A 105 5.743 23.566 51.315 1.00 25.69 C ATOM 1555 O THR A 105 4.811 23.051 50.673 1.00 26.77 O ATOM 1556 CB THR A 105 5.565 23.538 53.890 1.00 24.22 C ATOM 1557 OG1 THR A 105 6.089 22.956 55.081 1.00 26.84 O ATOM 1558 CG2 THR A 105 4.051 23.276 53.962 1.00 26.52 C ATOM 0 H THR A 105 8.000 23.777 53.535 1.00 23.52 H new ATOM 0 HA THR A 105 6.074 21.906 52.535 1.00 25.29 H new ATOM 0 HB THR A 105 5.747 24.610 53.811 1.00 24.22 H new ATOM 0 HG1 THR A 105 5.624 23.329 55.859 1.00 26.84 H new ATOM 0 HG21 THR A 105 3.651 23.706 54.880 1.00 26.52 H new ATOM 0 HG22 THR A 105 3.561 23.735 53.103 1.00 26.52 H new ATOM 0 HG23 THR A 105 3.867 22.202 53.954 1.00 26.52 H new ATOM 1566 N ALA A 106 6.319 24.733 50.988 1.00 24.84 N ATOM 1567 CA ALA A 106 5.902 25.429 49.752 1.00 24.58 C ATOM 1568 C ALA A 106 6.317 24.677 48.470 1.00 20.75 C ATOM 1569 O ALA A 106 5.554 24.563 47.509 1.00 25.26 O ATOM 1570 CB ALA A 106 6.431 26.874 49.853 1.00 24.64 C ATOM 0 H ALA A 106 7.044 25.202 51.532 1.00 24.84 H new ATOM 0 HA ALA A 106 4.816 25.455 49.666 1.00 24.58 H new ATOM 0 HB1 ALA A 106 6.146 27.429 48.959 1.00 24.64 H new ATOM 0 HB2 ALA A 106 6.004 27.357 50.732 1.00 24.64 H new ATOM 0 HB3 ALA A 106 7.517 26.858 49.940 1.00 24.64 H new ATOM 1576 N CYS A 107 7.534 24.152 48.553 1.00 20.45 N ATOM 1577 CA CYS A 107 8.042 23.298 47.470 1.00 21.69 C ATOM 1578 C CYS A 107 7.138 22.073 47.336 1.00 27.21 C ATOM 1579 O CYS A 107 6.675 21.643 46.252 1.00 25.37 O ATOM 1580 CB CYS A 107 9.530 23.023 47.747 1.00 23.27 C ATOM 1581 SG CYS A 107 10.277 22.199 46.333 1.00 24.50 S ATOM 0 H CYS A 107 8.177 24.293 49.333 1.00 20.45 H new ATOM 0 HA CYS A 107 8.006 23.771 46.488 1.00 21.69 H new ATOM 0 HB2 CYS A 107 10.050 23.959 47.949 1.00 23.27 H new ATOM 0 HB3 CYS A 107 9.634 22.402 48.637 1.00 23.27 H new ATOM 1586 N ASN A 108 6.817 21.384 48.440 1.00 23.13 N ATOM 1587 CA ASN A 108 6.015 20.165 48.358 1.00 24.61 C ATOM 1588 C ASN A 108 4.650 20.413 47.790 1.00 24.18 C ATOM 1589 O ASN A 108 4.099 19.583 47.033 1.00 28.76 O ATOM 1590 CB ASN A 108 6.030 19.399 49.709 1.00 29.22 C ATOM 1591 CG ASN A 108 7.245 18.484 49.874 1.00 37.97 C ATOM 1592 OD1 ASN A 108 7.345 17.425 49.263 1.00 32.67 O ATOM 1593 ND2 ASN A 108 8.202 18.849 50.678 1.00 30.79 N ATOM 0 H ASN A 108 7.097 21.648 49.385 1.00 23.13 H new ATOM 0 HA ASN A 108 6.481 19.496 47.635 1.00 24.61 H new ATOM 0 HB2 ASN A 108 6.013 20.119 50.527 1.00 29.22 H new ATOM 0 HB3 ASN A 108 5.121 18.803 49.790 1.00 29.22 H new ATOM 0 HD21 ASN A 108 9.024 18.256 50.795 1.00 30.79 H new ATOM 0 HD22 ASN A 108 8.130 19.728 51.191 1.00 30.79 H new ATOM 1600 N SER A 109 4.092 21.549 48.156 1.00 25.32 N ATOM 1601 CA SER A 109 2.769 21.967 47.690 1.00 25.69 C ATOM 1602 C SER A 109 2.803 22.274 46.193 1.00 25.49 C ATOM 1603 O SER A 109 1.893 21.921 45.442 1.00 27.33 O ATOM 1604 CB SER A 109 2.279 23.158 48.542 1.00 27.37 C ATOM 1605 OG SER A 109 0.939 23.516 48.197 1.00 51.16 O ATOM 0 H SER A 109 4.538 22.216 48.786 1.00 25.32 H new ATOM 0 HA SER A 109 2.051 21.157 47.819 1.00 25.69 H new ATOM 0 HB2 SER A 109 2.329 22.899 49.599 1.00 27.37 H new ATOM 0 HB3 SER A 109 2.938 24.013 48.392 1.00 27.37 H new ATOM 0 HG SER A 109 0.649 24.271 48.750 1.00 51.16 H new ATOM 1611 N THR A 110 3.898 22.894 45.677 1.00 22.52 N ATOM 1612 CA THR A 110 3.984 23.109 44.220 1.00 25.86 C ATOM 1613 C THR A 110 4.197 21.805 43.473 1.00 22.66 C ATOM 1614 O THR A 110 3.613 21.528 42.404 1.00 23.52 O ATOM 1615 CB THR A 110 5.028 24.210 43.852 1.00 26.22 C ATOM 1616 OG1 THR A 110 4.797 25.405 44.586 1.00 29.47 O ATOM 1617 CG2 THR A 110 4.982 24.670 42.383 1.00 25.32 C ATOM 0 H THR A 110 4.691 23.235 46.220 1.00 22.52 H new ATOM 0 HA THR A 110 3.020 23.494 43.887 1.00 25.86 H new ATOM 0 HB THR A 110 5.981 23.730 44.075 1.00 26.22 H new ATOM 0 HG1 THR A 110 5.019 25.258 45.529 1.00 29.47 H new ATOM 0 HG21 THR A 110 5.740 25.435 42.217 1.00 25.32 H new ATOM 0 HG22 THR A 110 5.176 23.820 41.729 1.00 25.32 H new ATOM 0 HG23 THR A 110 3.997 25.081 42.161 1.00 25.32 H new ATOM 1625 N ALA A 111 5.004 20.899 44.061 1.00 21.52 N ATOM 1626 CA ALA A 111 5.233 19.590 43.448 1.00 25.23 C ATOM 1627 C ALA A 111 3.928 18.799 43.286 1.00 26.38 C ATOM 1628 O ALA A 111 3.660 18.156 42.251 1.00 24.14 O ATOM 1629 CB ALA A 111 6.291 18.859 44.300 1.00 23.28 C ATOM 0 H ALA A 111 5.496 21.051 44.942 1.00 21.52 H new ATOM 0 HA ALA A 111 5.610 19.701 42.431 1.00 25.23 H new ATOM 0 HB1 ALA A 111 6.488 17.876 43.871 1.00 23.28 H new ATOM 0 HB2 ALA A 111 7.213 19.440 44.313 1.00 23.28 H new ATOM 0 HB3 ALA A 111 5.921 18.743 45.319 1.00 23.28 H new ATOM 1635 N TRP A 112 3.054 18.863 44.314 1.00 26.08 N ATOM 1636 CA TRP A 112 1.785 18.133 44.290 1.00 26.50 C ATOM 1637 C TRP A 112 0.870 18.694 43.209 1.00 25.46 C ATOM 1638 O TRP A 112 0.162 17.896 42.572 1.00 30.32 O ATOM 1639 CB TRP A 112 1.213 18.171 45.735 1.00 29.16 C ATOM 1640 CG TRP A 112 -0.083 17.375 45.949 1.00 39.88 C ATOM 1641 CD1 TRP A 112 -0.184 16.017 46.324 1.00 44.27 C ATOM 1642 CD2 TRP A 112 -1.388 17.834 45.872 1.00 45.36 C ATOM 1643 NE1 TRP A 112 -1.525 15.618 46.495 1.00 49.28 N ATOM 1644 CE2 TRP A 112 -2.251 16.765 46.222 1.00 47.02 C ATOM 1645 CE3 TRP A 112 -1.921 19.105 45.528 1.00 55.13 C ATOM 1646 CZ2 TRP A 112 -3.650 16.962 46.246 1.00 53.62 C ATOM 1647 CZ3 TRP A 112 -3.306 19.270 45.544 1.00 57.30 C ATOM 1648 CH2 TRP A 112 -4.158 18.217 45.901 1.00 56.18 C ATOM 0 H TRP A 112 3.210 19.410 45.161 1.00 26.08 H new ATOM 0 HA TRP A 112 1.905 17.086 44.012 1.00 26.50 H new ATOM 0 HB2 TRP A 112 1.971 17.789 46.418 1.00 29.16 H new ATOM 0 HB3 TRP A 112 1.031 19.210 46.009 1.00 29.16 H new ATOM 0 HD1 TRP A 112 0.664 15.363 46.463 1.00 44.27 H new ATOM 0 HE1 TRP A 112 -1.878 14.698 46.759 1.00 49.28 H new ATOM 0 HE3 TRP A 112 -1.270 19.924 45.261 1.00 55.13 H new ATOM 0 HZ2 TRP A 112 -4.314 16.158 46.526 1.00 53.62 H new ATOM 0 HZ3 TRP A 112 -3.729 20.227 45.276 1.00 57.30 H new ATOM 0 HH2 TRP A 112 -5.226 18.378 45.910 1.00 56.18 H new ATOM 1659 N THR A 113 0.935 20.009 43.075 1.00 24.70 N ATOM 1660 CA THR A 113 0.118 20.703 42.094 1.00 25.69 C ATOM 1661 C THR A 113 0.582 20.264 40.703 1.00 23.32 C ATOM 1662 O THR A 113 -0.257 19.974 39.879 1.00 26.98 O ATOM 1663 CB THR A 113 0.141 22.242 42.355 1.00 30.29 C ATOM 1664 OG1 THR A 113 -0.384 22.534 43.645 1.00 35.27 O ATOM 1665 CG2 THR A 113 -0.715 23.077 41.392 1.00 29.13 C ATOM 0 H THR A 113 1.541 20.614 43.630 1.00 24.70 H new ATOM 0 HA THR A 113 -0.936 20.438 42.174 1.00 25.69 H new ATOM 0 HB THR A 113 1.191 22.506 42.230 1.00 30.29 H new ATOM 0 HG1 THR A 113 0.306 22.375 44.323 1.00 35.27 H new ATOM 0 HG21 THR A 113 -0.634 24.132 41.654 1.00 29.13 H new ATOM 0 HG22 THR A 113 -0.363 22.929 40.371 1.00 29.13 H new ATOM 0 HG23 THR A 113 -1.756 22.764 41.466 1.00 29.13 H new ATOM 1673 N TYR A 114 1.891 20.194 40.480 1.00 23.47 N ATOM 1674 CA TYR A 114 2.368 19.667 39.197 1.00 22.13 C ATOM 1675 C TYR A 114 1.979 18.221 38.933 1.00 27.98 C ATOM 1676 O TYR A 114 1.648 17.774 37.805 1.00 29.47 O ATOM 1677 CB TYR A 114 3.916 19.906 39.149 1.00 20.28 C ATOM 1678 CG TYR A 114 4.444 21.291 38.703 1.00 28.10 C ATOM 1679 CD1 TYR A 114 3.883 22.492 39.159 1.00 28.32 C ATOM 1680 CD2 TYR A 114 5.511 21.346 37.797 1.00 28.53 C ATOM 1681 CE1 TYR A 114 4.316 23.712 38.649 1.00 29.64 C ATOM 1682 CE2 TYR A 114 5.951 22.570 37.297 1.00 27.78 C ATOM 1683 CZ TYR A 114 5.330 23.746 37.699 1.00 25.30 C ATOM 1684 OH TYR A 114 5.624 24.923 37.069 1.00 29.98 O ATOM 0 H TYR A 114 2.617 20.481 41.137 1.00 23.47 H new ATOM 0 HA TYR A 114 1.875 20.200 38.384 1.00 22.13 H new ATOM 0 HB2 TYR A 114 4.311 19.707 40.145 1.00 20.28 H new ATOM 0 HB3 TYR A 114 4.345 19.159 38.481 1.00 20.28 H new ATOM 0 HD1 TYR A 114 3.109 22.470 39.912 1.00 28.32 H new ATOM 0 HD2 TYR A 114 5.996 20.433 37.484 1.00 28.53 H new ATOM 0 HE1 TYR A 114 3.865 24.632 38.991 1.00 29.64 H new ATOM 0 HE2 TYR A 114 6.774 22.604 36.598 1.00 27.78 H new ATOM 0 HH TYR A 114 4.796 25.417 36.896 1.00 29.98 H new ATOM 1694 N TYR A 115 2.050 17.364 39.960 1.00 26.72 N ATOM 1695 CA TYR A 115 1.695 15.970 39.862 1.00 28.49 C ATOM 1696 C TYR A 115 0.235 15.793 39.524 1.00 30.09 C ATOM 1697 O TYR A 115 -0.194 15.042 38.659 1.00 25.36 O ATOM 1698 CB TYR A 115 2.121 15.191 41.142 1.00 30.08 C ATOM 1699 CG TYR A 115 1.717 13.695 41.231 1.00 34.01 C ATOM 1700 CD1 TYR A 115 1.956 12.816 40.165 1.00 28.95 C ATOM 1701 CD2 TYR A 115 1.192 13.184 42.425 1.00 37.98 C ATOM 1702 CE1 TYR A 115 1.729 11.452 40.314 1.00 31.70 C ATOM 1703 CE2 TYR A 115 0.983 11.811 42.573 1.00 39.52 C ATOM 1704 CZ TYR A 115 1.282 10.946 41.525 1.00 39.95 C ATOM 1705 OH TYR A 115 1.166 9.588 41.680 1.00 36.76 O ATOM 0 H TYR A 115 2.363 17.639 40.891 1.00 26.72 H new ATOM 0 HA TYR A 115 2.253 15.535 39.033 1.00 28.49 H new ATOM 0 HB2 TYR A 115 3.206 15.253 41.230 1.00 30.08 H new ATOM 0 HB3 TYR A 115 1.701 15.706 42.006 1.00 30.08 H new ATOM 0 HD1 TYR A 115 2.318 13.200 39.223 1.00 28.95 H new ATOM 0 HD2 TYR A 115 0.948 13.855 43.235 1.00 37.98 H new ATOM 0 HE1 TYR A 115 1.902 10.784 39.483 1.00 31.70 H new ATOM 0 HE2 TYR A 115 0.590 11.421 43.500 1.00 39.52 H new ATOM 0 HH TYR A 115 1.836 9.137 41.125 1.00 36.76 H new ATOM 1715 N GLN A 116 -0.569 16.561 40.267 1.00 26.11 N ATOM 1716 CA GLN A 116 -1.999 16.460 39.975 1.00 28.44 C ATOM 1717 C GLN A 116 -2.325 16.896 38.564 1.00 27.25 C ATOM 1718 O GLN A 116 -3.232 16.346 37.934 1.00 30.19 O ATOM 1719 CB GLN A 116 -2.832 17.172 41.076 1.00 29.71 C ATOM 1720 CG GLN A 116 -2.854 16.472 42.467 1.00 32.73 C ATOM 1721 CD GLN A 116 -3.487 15.075 42.563 1.00 42.70 C ATOM 1722 OE1 GLN A 116 -4.049 14.501 41.637 1.00 50.52 O ATOM 1723 NE2 GLN A 116 -3.414 14.462 43.714 1.00 61.79 N ATOM 0 H GLN A 116 -0.289 17.203 41.009 1.00 26.11 H new ATOM 0 HA GLN A 116 -2.289 15.410 40.007 1.00 28.44 H new ATOM 0 HB2 GLN A 116 -2.442 18.182 41.204 1.00 29.71 H new ATOM 0 HB3 GLN A 116 -3.859 17.269 40.723 1.00 29.71 H new ATOM 0 HG2 GLN A 116 -1.825 16.397 42.819 1.00 32.73 H new ATOM 0 HG3 GLN A 116 -3.382 17.126 43.161 1.00 32.73 H new ATOM 0 HE21 GLN A 116 -2.953 14.913 44.504 1.00 61.79 H new ATOM 0 HE22 GLN A 116 -3.818 13.532 43.823 1.00 61.79 H new ATOM 1732 N ALA A 117 -1.616 17.885 38.013 1.00 26.56 N ATOM 1733 CA ALA A 117 -1.973 18.386 36.694 1.00 30.77 C ATOM 1734 C ALA A 117 -1.693 17.349 35.621 1.00 28.97 C ATOM 1735 O ALA A 117 -2.465 17.109 34.696 1.00 33.03 O ATOM 1736 CB ALA A 117 -1.234 19.725 36.503 1.00 31.87 C ATOM 0 H ALA A 117 -0.814 18.341 38.449 1.00 26.56 H new ATOM 0 HA ALA A 117 -3.043 18.573 36.605 1.00 30.77 H new ATOM 0 HB1 ALA A 117 -1.475 20.137 35.523 1.00 31.87 H new ATOM 0 HB2 ALA A 117 -1.545 20.426 37.277 1.00 31.87 H new ATOM 0 HB3 ALA A 117 -0.159 19.560 36.573 1.00 31.87 H new ATOM 1742 N VAL A 118 -0.558 16.674 35.762 1.00 28.83 N ATOM 1743 CA VAL A 118 -0.301 15.647 34.734 1.00 29.73 C ATOM 1744 C VAL A 118 -1.217 14.450 34.961 1.00 32.31 C ATOM 1745 O VAL A 118 -1.653 13.769 34.016 1.00 34.89 O ATOM 1746 CB VAL A 118 1.216 15.260 34.619 1.00 29.72 C ATOM 1747 CG1 VAL A 118 2.113 16.442 34.183 1.00 33.58 C ATOM 1748 CG2 VAL A 118 1.849 14.600 35.864 1.00 29.63 C ATOM 0 H VAL A 118 0.142 16.790 36.495 1.00 28.83 H new ATOM 0 HA VAL A 118 -0.542 16.071 33.759 1.00 29.73 H new ATOM 0 HB VAL A 118 1.185 14.499 33.840 1.00 29.72 H new ATOM 0 HG11 VAL A 118 3.149 16.109 34.122 1.00 33.58 H new ATOM 0 HG12 VAL A 118 1.790 16.803 33.207 1.00 33.58 H new ATOM 0 HG13 VAL A 118 2.033 17.248 34.912 1.00 33.58 H new ATOM 0 HG21 VAL A 118 2.898 14.379 35.665 1.00 29.63 H new ATOM 0 HG22 VAL A 118 1.776 15.280 36.713 1.00 29.63 H new ATOM 0 HG23 VAL A 118 1.320 13.675 36.094 1.00 29.63 H new ATOM 1758 N LYS A 119 -1.520 14.180 36.215 1.00 28.19 N ATOM 1759 CA LYS A 119 -2.388 13.030 36.548 1.00 38.80 C ATOM 1760 C LYS A 119 -3.752 13.228 35.911 1.00 42.65 C ATOM 1761 O LYS A 119 -4.359 12.271 35.411 1.00 47.16 O ATOM 1762 CB LYS A 119 -2.328 12.843 38.096 1.00 42.68 C ATOM 1763 CG LYS A 119 -2.784 11.494 38.705 1.00 47.99 C ATOM 1764 CD LYS A 119 -2.420 11.420 40.222 1.00 48.97 C ATOM 1765 CE LYS A 119 -2.477 10.031 40.905 1.00 53.32 C ATOM 1766 NZ LYS A 119 -1.365 9.194 40.362 1.00 60.07 N ATOM 0 H LYS A 119 -1.194 14.719 37.017 1.00 28.19 H new ATOM 0 HA LYS A 119 -2.059 12.079 36.129 1.00 38.80 H new ATOM 0 HB2 LYS A 119 -1.298 13.015 38.409 1.00 42.68 H new ATOM 0 HB3 LYS A 119 -2.933 13.629 38.547 1.00 42.68 H new ATOM 0 HG2 LYS A 119 -3.860 11.378 38.578 1.00 47.99 H new ATOM 0 HG3 LYS A 119 -2.310 10.670 38.172 1.00 47.99 H new ATOM 0 HD2 LYS A 119 -1.411 11.814 40.345 1.00 48.97 H new ATOM 0 HD3 LYS A 119 -3.091 12.088 40.762 1.00 48.97 H new ATOM 0 HE2 LYS A 119 -2.381 10.135 41.986 1.00 53.32 H new ATOM 0 HE3 LYS A 119 -3.439 9.554 40.715 1.00 53.32 H new ATOM 0 HZ1 LYS A 119 -1.596 8.188 40.486 1.00 60.07 H new ATOM 0 HZ2 LYS A 119 -1.239 9.398 39.350 1.00 60.07 H new ATOM 0 HZ3 LYS A 119 -0.485 9.413 40.871 1.00 60.07 H new ATOM 1780 N ILE A 120 -4.229 14.468 35.896 1.00 42.86 N ATOM 1781 CA ILE A 120 -5.559 14.755 35.360 1.00 43.71 C ATOM 1782 C ILE A 120 -5.544 15.219 33.921 1.00 45.86 C ATOM 1783 O ILE A 120 -6.479 14.971 33.159 1.00 44.40 O ATOM 1784 CB ILE A 120 -6.270 15.790 36.332 1.00 47.57 C ATOM 1785 CG1 ILE A 120 -6.457 15.276 37.800 1.00 49.74 C ATOM 1786 CG2 ILE A 120 -7.663 16.273 35.830 1.00 53.15 C ATOM 1787 CD1 ILE A 120 -6.618 16.384 38.860 1.00 69.00 C ATOM 0 H ILE A 120 -3.724 15.283 36.244 1.00 42.86 H new ATOM 0 HA ILE A 120 -6.132 13.828 35.327 1.00 43.71 H new ATOM 0 HB ILE A 120 -5.566 16.623 36.329 1.00 47.57 H new ATOM 0 HG12 ILE A 120 -7.334 14.630 37.834 1.00 49.74 H new ATOM 0 HG13 ILE A 120 -5.598 14.661 38.066 1.00 49.74 H new ATOM 0 HG21 ILE A 120 -8.084 16.977 36.548 1.00 53.15 H new ATOM 0 HG22 ILE A 120 -7.551 16.764 34.863 1.00 53.15 H new ATOM 0 HG23 ILE A 120 -8.330 15.417 35.728 1.00 53.15 H new ATOM 0 HD11 ILE A 120 -6.741 15.931 39.844 1.00 69.00 H new ATOM 0 HD12 ILE A 120 -5.731 17.018 38.861 1.00 69.00 H new ATOM 0 HD13 ILE A 120 -7.495 16.987 38.626 1.00 69.00 H new ATOM 1799 N PHE A 121 -4.518 15.903 33.428 1.00 46.34 N ATOM 1800 CA PHE A 121 -4.702 16.333 32.027 1.00 52.87 C ATOM 1801 C PHE A 121 -3.726 15.677 31.077 1.00 55.46 C ATOM 1802 O PHE A 121 -3.704 15.934 29.874 1.00 69.48 O ATOM 1803 CB PHE A 121 -4.523 17.890 32.022 1.00 59.81 C ATOM 1804 CG PHE A 121 -5.571 18.701 32.818 1.00 68.16 C ATOM 1805 CD1 PHE A 121 -6.866 18.873 32.321 1.00 72.01 C ATOM 1806 CD2 PHE A 121 -5.247 19.216 34.079 1.00 69.63 C ATOM 1807 CE1 PHE A 121 -7.827 19.542 33.077 1.00 72.09 C ATOM 1808 CE2 PHE A 121 -6.208 19.882 34.835 1.00 71.16 C ATOM 1809 CZ PHE A 121 -7.497 20.045 34.333 1.00 72.40 C ATOM 0 H PHE A 121 -3.648 16.154 33.897 1.00 46.34 H new ATOM 0 HA PHE A 121 -5.689 16.034 31.673 1.00 52.87 H new ATOM 0 HB2 PHE A 121 -3.535 18.122 32.420 1.00 59.81 H new ATOM 0 HB3 PHE A 121 -4.538 18.233 30.988 1.00 59.81 H new ATOM 0 HD1 PHE A 121 -7.123 18.486 31.346 1.00 72.01 H new ATOM 0 HD2 PHE A 121 -4.246 19.096 34.467 1.00 69.63 H new ATOM 0 HE1 PHE A 121 -8.827 19.670 32.689 1.00 72.09 H new ATOM 0 HE2 PHE A 121 -5.954 20.272 35.810 1.00 71.16 H new ATOM 0 HZ PHE A 121 -8.242 20.563 34.919 1.00 72.40 H new ATOM 1819 N GLY A 122 -2.909 14.800 31.627 1.00 51.21 N ATOM 1820 CA GLY A 122 -1.891 14.129 30.862 1.00 58.28 C ATOM 1821 C GLY A 122 -2.390 13.449 29.609 1.00 60.65 C ATOM 1822 O GLY A 122 -3.368 12.669 29.667 1.00 62.21 O ATOM 1823 OXT GLY A 122 -1.793 13.676 28.534 1.00 67.60 O ATOM 0 H GLY A 122 -2.936 14.537 32.612 1.00 51.21 H new ATOM 0 HA2 GLY A 122 -1.126 14.854 30.586 1.00 58.28 H new ATOM 0 HA3 GLY A 122 -1.410 13.384 31.496 1.00 58.28 H new TER 1827 GLY A 122 HETATM 1828 CA CA A 200 7.088 18.874 29.363 1.00 23.80 CA CONECT 627 1828 CONECT 636 1828 CONECT 657 881 CONECT 881 657 CONECT 943 1828 CONECT 944 1828 CONECT 1433 1581 CONECT 1581 1433 CONECT 1828 627 636 943 944 END