USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 989 hydrogens (0 hets) HEADER HYDROLASE 15-JUL-02 1IY4 TITLE SOLUTION STRUCTURE OF THE HUMAN LYSOZYME AT 35 DEGREE C COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: LYSOZYME C; COMPND 5 EC: 3.2.1.17; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: PICHIA PASTORIS; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 4922; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: GS115; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PPIC9 KEYWDS HUMAN LYSOZYME, HYDROLASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR H.KUMETA,A.MIURA,Y.KOBASHIGAWA,K.MIURA,C.OKA,K.NITTA, AUTHOR 2 N.NEMOTO,S.TSUDA REVDAT 3 24-FEB-09 1IY4 1 VERSN REVDAT 2 22-JUL-03 1IY4 1 JRNL REVDAT 1 31-JUL-02 1IY4 0 JRNL AUTH H.KUMETA,A.MIURA,Y.KOBASHIGAWA,K.MIURA,C.OKA, JRNL AUTH 2 N.NEMOTO,K.NITTA,S.TSUDA JRNL TITL LOW-TEMPERATURE-INDUCED STRUCTURAL CHANGES IN JRNL TITL 2 HUMAN LYSOZYME ELUCIDATED BY THREE-DIMENSIONAL NMR JRNL TITL 3 SPECTROSCOPY JRNL REF BIOCHEMISTRY V. 42 1209 2003 JRNL REFN ISSN 0006-2960 JRNL PMID 12564923 JRNL DOI 10.1021/BI026730W REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1IY4 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-JUL-02. REMARK 100 THE RCSB ID CODE IS RCSB005394. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 3.8 REMARK 210 IONIC STRENGTH : 2.5M KCL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM HUMAN LYSOZYME U-15N, REMARK 210 13C; 2.5M KCL; PH 3.8 ADJUSTED REMARK 210 AT ROOM TEMPERATURE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY, HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 6.1, NMRPIPE 4.3.2, X- REMARK 210 PLOR 3.8 REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS, REMARK 210 STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. 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 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 RES CSSEQI ATOMS REMARK 470 VAL A 130 O 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 SER A 36 -52.25 -139.81 REMARK 500 ASN A 75 78.17 36.23 REMARK 500 ILE A 89 48.01 -82.54 REMARK 500 ASP A 102 -177.73 -63.70 REMARK 500 ARG A 115 -74.70 -85.19 REMARK 500 ARG A 119 -157.87 -95.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 5 0.32 SIDE_CHAIN REMARK 500 ARG A 10 0.31 SIDE_CHAIN REMARK 500 ARG A 14 0.32 SIDE_CHAIN REMARK 500 ARG A 21 0.31 SIDE_CHAIN REMARK 500 ARG A 41 0.32 SIDE_CHAIN REMARK 500 ARG A 50 0.32 SIDE_CHAIN REMARK 500 ARG A 62 0.32 SIDE_CHAIN REMARK 500 ARG A 98 0.32 SIDE_CHAIN REMARK 500 ARG A 101 0.32 SIDE_CHAIN REMARK 500 ARG A 107 0.32 SIDE_CHAIN REMARK 500 ARG A 113 0.30 SIDE_CHAIN REMARK 500 ARG A 115 0.31 SIDE_CHAIN REMARK 500 ARG A 119 0.31 SIDE_CHAIN REMARK 500 ARG A 122 0.31 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IY3 RELATED DB: PDB REMARK 900 1IY3 CONTAINS THE SAME PROTEIN AT 4 DEGREE C DBREF 1IY4 A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQRES 1 A 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 A 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 A 130 ASN TRP MET CYS LEU ALA LYS TRP GLU SER GLY TYR ASN SEQRES 4 A 130 THR ARG ALA THR ASN TYR ASN ALA GLY ASP ARG SER THR SEQRES 5 A 130 ASP TYR GLY ILE PHE GLN ILE ASN SER ARG TYR TRP CYS SEQRES 6 A 130 ASN ASP GLY LYS THR PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 A 130 LEU SER CYS SER ALA LEU LEU GLN ASP ASN ILE ALA ASP SEQRES 8 A 130 ALA VAL ALA CYS ALA LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 A 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL HELIX 1 1 GLU A 4 GLY A 16 1 13 HELIX 2 2 SER A 24 SER A 36 1 13 HELIX 3 3 CYS A 81 GLN A 86 1 6 HELIX 4 4 ILE A 89 ASP A 102 1 14 HELIX 5 5 GLN A 104 TRP A 109 5 6 HELIX 6 6 VAL A 110 CYS A 116 1 7 SSBOND *** CYS A 6 CYS A 128 1555 1555 2.02 SSBOND *** CYS A 30 CYS A 116 1555 1555 2.02 SSBOND *** CYS A 65 CYS A 81 1555 1555 2.02 SSBOND *** CYS A 77 CYS A 95 1555 1555 2.02 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 29 MET CE :methyl 166:sc= -0.542 (180deg=-0.789) USER MOD Set 1.2: A 38 TYR OH : rot 90:sc= -0.767 USER MOD Set 2.1: A 36 SER OG : rot 101:sc= 1.16 USER MOD Set 2.2: A 58 GLN : amide:sc= 0.0111 X(o=1.2,f=1.4) USER MOD Set 3.1: A 27 ASN : amide:sc= -0.405 K(o=-0.55,f=1.8) USER MOD Set 3.2: A 118 ASN : amide:sc= -0.141 X(o=-0.55,f=-0.81) USER MOD Set 4.1: A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 39 ASN : amide:sc= -0.858 K(o=-0.86,f=-2.4) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -163:sc= -1.7 (180deg=-2.71!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.121) USER MOD Single : A 40 THR OG1 : rot -60:sc= 1.01 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.294 K(o=-0.29,f=-1.5) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.0448 X(o=0.045,f=0) USER MOD Single : A 51 SER OG : rot -150:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.27 K(o=-0.27,f=-0.89) USER MOD Single : A 61 SER OG : rot 150:sc= -1.8! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.266 K(o=-0.27,f=-3.8!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 160:sc= 1.09 USER MOD Single : A 75 ASN : amide:sc= -3.88 X(o=-3.9,f=-3.4) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.0022) USER MOD Single : A 88 ASN : amide:sc= 0.00931 X(o=0.0093,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= 0.123 (180deg=0.0305) USER MOD Single : A 104 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.54) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc=-0.00755 X(o=-0.0076,f=0) USER MOD Single : A 123 GLN : amide:sc= 0.142 X(o=0.14,f=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 97.748 -10.457 -7.420 1.00 2.52 N ATOM 2 CA LYS A 1 97.021 -9.901 -8.603 1.00 1.86 C ATOM 3 C LYS A 1 97.685 -8.591 -9.056 1.00 1.52 C ATOM 4 O LYS A 1 97.310 -7.510 -8.638 1.00 1.75 O ATOM 5 CB LYS A 1 95.585 -9.668 -8.109 1.00 1.99 C ATOM 6 CG LYS A 1 94.758 -8.942 -9.180 1.00 2.79 C ATOM 7 CD LYS A 1 94.744 -9.755 -10.478 1.00 3.33 C ATOM 8 CE LYS A 1 93.827 -9.066 -11.493 1.00 3.96 C ATOM 9 NZ LYS A 1 92.961 -10.148 -12.045 1.00 4.92 N ATOM 0 H1 LYS A 1 97.294 -11.343 -7.118 1.00 2.52 H new ATOM 0 H2 LYS A 1 98.738 -10.645 -7.678 1.00 2.52 H new ATOM 0 H3 LYS A 1 97.718 -9.770 -6.640 1.00 2.52 H new ATOM 0 HA LYS A 1 97.038 -10.568 -9.465 1.00 1.86 H new ATOM 0 HB2 LYS A 1 95.118 -10.623 -7.866 1.00 1.99 H new ATOM 0 HB3 LYS A 1 95.601 -9.079 -7.192 1.00 1.99 H new ATOM 0 HG2 LYS A 1 93.738 -8.794 -8.824 1.00 2.79 H new ATOM 0 HG3 LYS A 1 95.178 -7.953 -9.366 1.00 2.79 H new ATOM 0 HD2 LYS A 1 95.754 -9.838 -10.880 1.00 3.33 H new ATOM 0 HD3 LYS A 1 94.394 -10.769 -10.283 1.00 3.33 H new ATOM 0 HE2 LYS A 1 93.229 -8.289 -11.017 1.00 3.96 H new ATOM 0 HE3 LYS A 1 94.406 -8.585 -12.282 1.00 3.96 H new ATOM 0 HZ1 LYS A 1 92.308 -9.746 -12.747 1.00 4.92 H new ATOM 0 HZ2 LYS A 1 93.555 -10.871 -12.499 1.00 4.92 H new ATOM 0 HZ3 LYS A 1 92.415 -10.583 -11.274 1.00 4.92 H new ATOM 22 N VAL A 2 98.676 -8.693 -9.908 1.00 1.35 N ATOM 23 CA VAL A 2 99.388 -7.471 -10.403 1.00 1.44 C ATOM 24 C VAL A 2 98.736 -6.965 -11.696 1.00 1.26 C ATOM 25 O VAL A 2 98.846 -7.586 -12.738 1.00 1.38 O ATOM 26 CB VAL A 2 100.830 -7.931 -10.663 1.00 1.79 C ATOM 27 CG1 VAL A 2 101.625 -6.804 -11.329 1.00 2.10 C ATOM 28 CG2 VAL A 2 101.494 -8.303 -9.334 1.00 2.09 C ATOM 0 H VAL A 2 99.025 -9.575 -10.284 1.00 1.35 H new ATOM 0 HA VAL A 2 99.347 -6.649 -9.689 1.00 1.44 H new ATOM 0 HB VAL A 2 100.815 -8.799 -11.322 1.00 1.79 H new ATOM 0 HG11 VAL A 2 102.647 -7.137 -11.510 1.00 2.10 H new ATOM 0 HG12 VAL A 2 101.156 -6.539 -12.277 1.00 2.10 H new ATOM 0 HG13 VAL A 2 101.639 -5.932 -10.675 1.00 2.10 H new ATOM 0 HG21 VAL A 2 102.518 -8.630 -9.518 1.00 2.09 H new ATOM 0 HG22 VAL A 2 101.503 -7.434 -8.676 1.00 2.09 H new ATOM 0 HG23 VAL A 2 100.935 -9.110 -8.861 1.00 2.09 H new ATOM 38 N PHE A 3 98.066 -5.839 -11.641 1.00 1.14 N ATOM 39 CA PHE A 3 97.419 -5.291 -12.873 1.00 1.12 C ATOM 40 C PHE A 3 98.301 -4.190 -13.490 1.00 1.11 C ATOM 41 O PHE A 3 99.474 -4.080 -13.181 1.00 1.66 O ATOM 42 CB PHE A 3 96.073 -4.724 -12.404 1.00 1.27 C ATOM 43 CG PHE A 3 94.938 -5.420 -13.128 1.00 1.77 C ATOM 44 CD1 PHE A 3 95.041 -5.708 -14.497 1.00 2.28 C ATOM 45 CD2 PHE A 3 93.780 -5.775 -12.427 1.00 2.47 C ATOM 46 CE1 PHE A 3 93.988 -6.350 -15.159 1.00 2.78 C ATOM 47 CE2 PHE A 3 92.727 -6.416 -13.090 1.00 3.02 C ATOM 48 CZ PHE A 3 92.832 -6.704 -14.456 1.00 2.95 C ATOM 0 H PHE A 3 97.940 -5.278 -10.799 1.00 1.14 H new ATOM 0 HA PHE A 3 97.284 -6.050 -13.643 1.00 1.12 H new ATOM 0 HB2 PHE A 3 95.967 -4.860 -11.328 1.00 1.27 H new ATOM 0 HB3 PHE A 3 96.034 -3.652 -12.595 1.00 1.27 H new ATOM 0 HD1 PHE A 3 95.933 -5.434 -15.040 1.00 2.28 H new ATOM 0 HD2 PHE A 3 93.699 -5.554 -11.373 1.00 2.47 H new ATOM 0 HE1 PHE A 3 94.068 -6.572 -16.213 1.00 2.78 H new ATOM 0 HE2 PHE A 3 91.834 -6.688 -12.548 1.00 3.02 H new ATOM 0 HZ PHE A 3 92.020 -7.200 -14.967 1.00 2.95 H new ATOM 58 N GLU A 4 97.744 -3.376 -14.360 1.00 1.01 N ATOM 59 CA GLU A 4 98.546 -2.280 -14.997 1.00 1.10 C ATOM 60 C GLU A 4 98.851 -1.173 -13.975 1.00 0.96 C ATOM 61 O GLU A 4 98.553 -1.297 -12.800 1.00 1.21 O ATOM 62 CB GLU A 4 97.662 -1.732 -16.124 1.00 1.27 C ATOM 63 CG GLU A 4 97.599 -2.742 -17.276 1.00 1.75 C ATOM 64 CD GLU A 4 96.703 -2.194 -18.391 1.00 2.18 C ATOM 65 OE1 GLU A 4 97.106 -1.240 -19.035 1.00 2.50 O ATOM 66 OE2 GLU A 4 95.629 -2.738 -18.584 1.00 2.84 O ATOM 0 H GLU A 4 96.769 -3.424 -14.656 1.00 1.01 H new ATOM 0 HA GLU A 4 99.504 -2.644 -15.369 1.00 1.10 H new ATOM 0 HB2 GLU A 4 96.659 -1.534 -15.747 1.00 1.27 H new ATOM 0 HB3 GLU A 4 98.061 -0.783 -16.482 1.00 1.27 H new ATOM 0 HG2 GLU A 4 98.601 -2.933 -17.661 1.00 1.75 H new ATOM 0 HG3 GLU A 4 97.209 -3.694 -16.917 1.00 1.75 H new ATOM 73 N ARG A 5 99.440 -0.088 -14.420 1.00 0.91 N ATOM 74 CA ARG A 5 99.766 1.035 -13.487 1.00 0.87 C ATOM 75 C ARG A 5 98.516 1.871 -13.188 1.00 0.78 C ATOM 76 O ARG A 5 98.338 2.351 -12.084 1.00 1.03 O ATOM 77 CB ARG A 5 100.810 1.881 -14.220 1.00 1.12 C ATOM 78 CG ARG A 5 102.205 1.299 -13.975 1.00 1.67 C ATOM 79 CD ARG A 5 103.092 1.562 -15.194 1.00 2.12 C ATOM 80 NE ARG A 5 102.829 0.424 -16.122 1.00 2.21 N ATOM 81 CZ ARG A 5 102.520 0.655 -17.371 1.00 2.69 C ATOM 82 NH1 ARG A 5 103.464 0.747 -18.270 1.00 3.32 N ATOM 83 NH2 ARG A 5 101.267 0.795 -17.722 1.00 3.14 N ATOM 0 H ARG A 5 99.709 0.067 -15.392 1.00 0.91 H new ATOM 0 HA ARG A 5 100.136 0.669 -12.530 1.00 0.87 H new ATOM 0 HB2 ARG A 5 100.594 1.898 -15.288 1.00 1.12 H new ATOM 0 HB3 ARG A 5 100.768 2.912 -13.870 1.00 1.12 H new ATOM 0 HG2 ARG A 5 102.647 1.750 -13.087 1.00 1.67 H new ATOM 0 HG3 ARG A 5 102.135 0.227 -13.788 1.00 1.67 H new ATOM 0 HD2 ARG A 5 102.847 2.516 -15.661 1.00 2.12 H new ATOM 0 HD3 ARG A 5 104.144 1.606 -14.913 1.00 2.12 H new ATOM 0 HE ARG A 5 102.890 -0.536 -15.782 1.00 2.21 H new ATOM 0 HH11 ARG A 5 104.441 0.639 -17.997 1.00 3.32 H new ATOM 0 HH12 ARG A 5 103.224 0.927 -19.245 1.00 3.32 H new ATOM 0 HH21 ARG A 5 100.530 0.724 -17.021 1.00 3.14 H new ATOM 0 HH22 ARG A 5 101.028 0.975 -18.697 1.00 3.14 H new ATOM 97 N CYS A 6 97.648 2.049 -14.158 1.00 0.75 N ATOM 98 CA CYS A 6 96.411 2.859 -13.920 1.00 0.87 C ATOM 99 C CYS A 6 95.243 1.973 -13.444 1.00 0.89 C ATOM 100 O CYS A 6 94.101 2.394 -13.454 1.00 1.44 O ATOM 101 CB CYS A 6 96.083 3.500 -15.275 1.00 1.08 C ATOM 102 SG CYS A 6 95.777 5.274 -15.051 1.00 1.31 S ATOM 0 H CYS A 6 97.743 1.670 -15.100 1.00 0.75 H new ATOM 0 HA CYS A 6 96.566 3.603 -13.139 1.00 0.87 H new ATOM 0 HB2 CYS A 6 96.909 3.348 -15.970 1.00 1.08 H new ATOM 0 HB3 CYS A 6 95.206 3.022 -15.712 1.00 1.08 H new ATOM 107 N GLU A 7 95.513 0.758 -13.015 1.00 0.68 N ATOM 108 CA GLU A 7 94.407 -0.129 -12.533 1.00 0.76 C ATOM 109 C GLU A 7 94.232 0.023 -11.018 1.00 0.70 C ATOM 110 O GLU A 7 93.125 0.164 -10.530 1.00 0.75 O ATOM 111 CB GLU A 7 94.835 -1.556 -12.891 1.00 0.83 C ATOM 112 CG GLU A 7 93.791 -2.182 -13.824 1.00 1.38 C ATOM 113 CD GLU A 7 94.251 -2.051 -15.279 1.00 2.15 C ATOM 114 OE1 GLU A 7 94.295 -0.934 -15.771 1.00 2.90 O ATOM 115 OE2 GLU A 7 94.550 -3.070 -15.877 1.00 2.65 O ATOM 0 H GLU A 7 96.446 0.347 -12.979 1.00 0.68 H new ATOM 0 HA GLU A 7 93.451 0.125 -12.991 1.00 0.76 H new ATOM 0 HB2 GLU A 7 95.811 -1.544 -13.376 1.00 0.83 H new ATOM 0 HB3 GLU A 7 94.936 -2.155 -11.986 1.00 0.83 H new ATOM 0 HG2 GLU A 7 93.648 -3.233 -13.571 1.00 1.38 H new ATOM 0 HG3 GLU A 7 92.828 -1.688 -13.691 1.00 1.38 H new ATOM 122 N LEU A 8 95.314 0.012 -10.272 1.00 0.64 N ATOM 123 CA LEU A 8 95.209 0.174 -8.790 1.00 0.61 C ATOM 124 C LEU A 8 94.822 1.616 -8.447 1.00 0.59 C ATOM 125 O LEU A 8 94.181 1.863 -7.446 1.00 0.55 O ATOM 126 CB LEU A 8 96.596 -0.170 -8.245 1.00 0.61 C ATOM 127 CG LEU A 8 96.619 0.024 -6.724 1.00 0.62 C ATOM 128 CD1 LEU A 8 95.828 -1.099 -6.047 1.00 1.07 C ATOM 129 CD2 LEU A 8 98.066 0.000 -6.227 1.00 0.92 C ATOM 0 H LEU A 8 96.263 -0.102 -10.628 1.00 0.64 H new ATOM 0 HA LEU A 8 94.443 -0.469 -8.355 1.00 0.61 H new ATOM 0 HB2 LEU A 8 96.849 -1.201 -8.493 1.00 0.61 H new ATOM 0 HB3 LEU A 8 97.348 0.465 -8.713 1.00 0.61 H new ATOM 0 HG LEU A 8 96.165 0.984 -6.477 1.00 0.62 H new ATOM 0 HD11 LEU A 8 95.847 -0.957 -4.966 1.00 1.07 H new ATOM 0 HD12 LEU A 8 94.796 -1.080 -6.397 1.00 1.07 H new ATOM 0 HD13 LEU A 8 96.277 -2.061 -6.295 1.00 1.07 H new ATOM 0 HD21 LEU A 8 98.082 0.138 -5.146 1.00 0.92 H new ATOM 0 HD22 LEU A 8 98.521 -0.958 -6.477 1.00 0.92 H new ATOM 0 HD23 LEU A 8 98.628 0.803 -6.703 1.00 0.92 H new ATOM 141 N ALA A 9 95.181 2.566 -9.285 1.00 0.64 N ATOM 142 CA ALA A 9 94.800 3.988 -9.020 1.00 0.66 C ATOM 143 C ALA A 9 93.270 4.097 -8.930 1.00 0.61 C ATOM 144 O ALA A 9 92.739 4.938 -8.232 1.00 0.61 O ATOM 145 CB ALA A 9 95.328 4.779 -10.218 1.00 0.80 C ATOM 0 H ALA A 9 95.720 2.414 -10.138 1.00 0.64 H new ATOM 0 HA ALA A 9 95.211 4.365 -8.083 1.00 0.66 H new ATOM 0 HB1 ALA A 9 95.085 5.834 -10.093 1.00 0.80 H new ATOM 0 HB2 ALA A 9 96.410 4.661 -10.284 1.00 0.80 H new ATOM 0 HB3 ALA A 9 94.866 4.406 -11.132 1.00 0.80 H new ATOM 151 N ARG A 10 92.559 3.224 -9.611 1.00 0.61 N ATOM 152 CA ARG A 10 91.066 3.250 -9.542 1.00 0.62 C ATOM 153 C ARG A 10 90.614 2.632 -8.214 1.00 0.55 C ATOM 154 O ARG A 10 89.669 3.087 -7.597 1.00 0.57 O ATOM 155 CB ARG A 10 90.588 2.409 -10.731 1.00 0.70 C ATOM 156 CG ARG A 10 89.094 2.651 -10.967 1.00 1.03 C ATOM 157 CD ARG A 10 88.802 2.635 -12.471 1.00 1.64 C ATOM 158 NE ARG A 10 87.316 2.710 -12.576 1.00 1.54 N ATOM 159 CZ ARG A 10 86.658 1.796 -13.244 1.00 2.03 C ATOM 160 NH1 ARG A 10 86.407 0.636 -12.692 1.00 2.60 N ATOM 161 NH2 ARG A 10 86.254 2.043 -14.464 1.00 2.58 N ATOM 0 H ARG A 10 92.951 2.497 -10.210 1.00 0.61 H new ATOM 0 HA ARG A 10 90.658 4.260 -9.588 1.00 0.62 H new ATOM 0 HB2 ARG A 10 91.154 2.671 -11.625 1.00 0.70 H new ATOM 0 HB3 ARG A 10 90.769 1.352 -10.537 1.00 0.70 H new ATOM 0 HG2 ARG A 10 88.507 1.882 -10.464 1.00 1.03 H new ATOM 0 HG3 ARG A 10 88.798 3.609 -10.539 1.00 1.03 H new ATOM 0 HD2 ARG A 10 89.276 3.478 -12.974 1.00 1.64 H new ATOM 0 HD3 ARG A 10 89.185 1.728 -12.938 1.00 1.64 H new ATOM 0 HE ARG A 10 86.812 3.474 -12.127 1.00 1.54 H new ATOM 0 HH11 ARG A 10 86.724 0.444 -11.742 1.00 2.60 H new ATOM 0 HH12 ARG A 10 85.894 -0.076 -13.212 1.00 2.60 H new ATOM 0 HH21 ARG A 10 86.452 2.947 -14.894 1.00 2.58 H new ATOM 0 HH22 ARG A 10 85.741 1.332 -14.985 1.00 2.58 H new ATOM 175 N THR A 11 91.308 1.612 -7.765 1.00 0.52 N ATOM 176 CA THR A 11 90.961 0.959 -6.466 1.00 0.51 C ATOM 177 C THR A 11 91.360 1.883 -5.303 1.00 0.51 C ATOM 178 O THR A 11 90.666 1.977 -4.310 1.00 0.58 O ATOM 179 CB THR A 11 91.788 -0.335 -6.452 1.00 0.57 C ATOM 180 OG1 THR A 11 91.281 -1.227 -7.436 1.00 0.69 O ATOM 181 CG2 THR A 11 91.710 -1.001 -5.076 1.00 0.58 C ATOM 0 H THR A 11 92.107 1.202 -8.249 1.00 0.52 H new ATOM 0 HA THR A 11 89.895 0.757 -6.359 1.00 0.51 H new ATOM 0 HB THR A 11 92.828 -0.093 -6.669 1.00 0.57 H new ATOM 0 HG1 THR A 11 91.808 -2.053 -7.431 1.00 0.69 H new ATOM 0 HG21 THR A 11 92.301 -1.917 -5.081 1.00 0.58 H new ATOM 0 HG22 THR A 11 92.102 -0.321 -4.320 1.00 0.58 H new ATOM 0 HG23 THR A 11 90.672 -1.240 -4.846 1.00 0.58 H new ATOM 189 N LEU A 12 92.476 2.568 -5.432 1.00 0.52 N ATOM 190 CA LEU A 12 92.941 3.497 -4.351 1.00 0.58 C ATOM 191 C LEU A 12 91.977 4.682 -4.209 1.00 0.54 C ATOM 192 O LEU A 12 91.561 5.023 -3.118 1.00 0.62 O ATOM 193 CB LEU A 12 94.321 3.987 -4.812 1.00 0.73 C ATOM 194 CG LEU A 12 95.417 3.442 -3.890 1.00 0.85 C ATOM 195 CD1 LEU A 12 95.223 3.995 -2.476 1.00 1.78 C ATOM 196 CD2 LEU A 12 95.357 1.911 -3.855 1.00 1.54 C ATOM 0 H LEU A 12 93.088 2.521 -6.247 1.00 0.52 H new ATOM 0 HA LEU A 12 92.982 3.004 -3.380 1.00 0.58 H new ATOM 0 HB2 LEU A 12 94.505 3.664 -5.837 1.00 0.73 H new ATOM 0 HB3 LEU A 12 94.346 5.077 -4.812 1.00 0.73 H new ATOM 0 HG LEU A 12 96.390 3.753 -4.271 1.00 0.85 H new ATOM 0 HD11 LEU A 12 96.004 3.606 -1.823 1.00 1.78 H new ATOM 0 HD12 LEU A 12 95.279 5.083 -2.500 1.00 1.78 H new ATOM 0 HD13 LEU A 12 94.248 3.690 -2.097 1.00 1.78 H new ATOM 0 HD21 LEU A 12 96.139 1.531 -3.198 1.00 1.54 H new ATOM 0 HD22 LEU A 12 94.383 1.593 -3.482 1.00 1.54 H new ATOM 0 HD23 LEU A 12 95.506 1.518 -4.861 1.00 1.54 H new ATOM 208 N LYS A 13 91.623 5.307 -5.308 1.00 0.53 N ATOM 209 CA LYS A 13 90.681 6.472 -5.251 1.00 0.57 C ATOM 210 C LYS A 13 89.347 6.040 -4.628 1.00 0.59 C ATOM 211 O LYS A 13 88.837 6.684 -3.731 1.00 0.69 O ATOM 212 CB LYS A 13 90.471 6.893 -6.709 1.00 0.65 C ATOM 213 CG LYS A 13 90.328 8.418 -6.807 1.00 0.92 C ATOM 214 CD LYS A 13 89.075 8.887 -6.055 1.00 1.24 C ATOM 215 CE LYS A 13 87.824 8.240 -6.664 1.00 1.61 C ATOM 216 NZ LYS A 13 86.787 9.313 -6.663 1.00 2.27 N ATOM 0 H LYS A 13 91.946 5.060 -6.243 1.00 0.53 H new ATOM 0 HA LYS A 13 91.074 7.287 -4.644 1.00 0.57 H new ATOM 0 HB2 LYS A 13 91.313 6.560 -7.316 1.00 0.65 H new ATOM 0 HB3 LYS A 13 89.579 6.411 -7.109 1.00 0.65 H new ATOM 0 HG2 LYS A 13 91.212 8.900 -6.390 1.00 0.92 H new ATOM 0 HG3 LYS A 13 90.265 8.717 -7.853 1.00 0.92 H new ATOM 0 HD2 LYS A 13 89.154 8.623 -5.000 1.00 1.24 H new ATOM 0 HD3 LYS A 13 88.995 9.973 -6.107 1.00 1.24 H new ATOM 0 HE2 LYS A 13 88.019 7.882 -7.675 1.00 1.61 H new ATOM 0 HE3 LYS A 13 87.501 7.380 -6.078 1.00 1.61 H new ATOM 0 HZ1 LYS A 13 85.903 8.942 -7.066 1.00 2.27 H new ATOM 0 HZ2 LYS A 13 86.616 9.630 -5.687 1.00 2.27 H new ATOM 0 HZ3 LYS A 13 87.118 10.116 -7.235 1.00 2.27 H new ATOM 230 N ARG A 14 88.788 4.949 -5.101 1.00 0.59 N ATOM 231 CA ARG A 14 87.486 4.454 -4.545 1.00 0.70 C ATOM 232 C ARG A 14 87.596 4.217 -3.028 1.00 0.63 C ATOM 233 O ARG A 14 86.639 4.399 -2.300 1.00 0.73 O ATOM 234 CB ARG A 14 87.218 3.134 -5.276 1.00 0.79 C ATOM 235 CG ARG A 14 85.739 2.759 -5.142 1.00 1.26 C ATOM 236 CD ARG A 14 85.558 1.276 -5.476 1.00 1.86 C ATOM 237 NE ARG A 14 84.085 1.046 -5.435 1.00 2.48 N ATOM 238 CZ ARG A 14 83.450 0.676 -6.518 1.00 3.19 C ATOM 239 NH1 ARG A 14 83.375 -0.593 -6.830 1.00 3.69 N ATOM 240 NH2 ARG A 14 82.890 1.576 -7.287 1.00 3.85 N ATOM 0 H ARG A 14 89.179 4.379 -5.851 1.00 0.59 H new ATOM 0 HA ARG A 14 86.681 5.175 -4.690 1.00 0.70 H new ATOM 0 HB2 ARG A 14 87.485 3.230 -6.329 1.00 0.79 H new ATOM 0 HB3 ARG A 14 87.842 2.344 -4.860 1.00 0.79 H new ATOM 0 HG2 ARG A 14 85.392 2.960 -4.128 1.00 1.26 H new ATOM 0 HG3 ARG A 14 85.135 3.370 -5.813 1.00 1.26 H new ATOM 0 HD2 ARG A 14 85.967 1.040 -6.459 1.00 1.86 H new ATOM 0 HD3 ARG A 14 86.076 0.643 -4.755 1.00 1.86 H new ATOM 0 HE ARG A 14 83.572 1.177 -4.563 1.00 2.48 H new ATOM 0 HH11 ARG A 14 83.811 -1.293 -6.229 1.00 3.69 H new ATOM 0 HH12 ARG A 14 82.880 -0.882 -7.674 1.00 3.69 H new ATOM 0 HH21 ARG A 14 82.949 2.564 -7.042 1.00 3.85 H new ATOM 0 HH22 ARG A 14 82.395 1.289 -8.131 1.00 3.85 H new ATOM 254 N LEU A 15 88.755 3.818 -2.550 1.00 0.53 N ATOM 255 CA LEU A 15 88.927 3.574 -1.081 1.00 0.54 C ATOM 256 C LEU A 15 88.919 4.902 -0.309 1.00 0.58 C ATOM 257 O LEU A 15 88.268 5.024 0.711 1.00 0.76 O ATOM 258 CB LEU A 15 90.285 2.877 -0.938 1.00 0.52 C ATOM 259 CG LEU A 15 90.157 1.411 -1.360 1.00 0.51 C ATOM 260 CD1 LEU A 15 91.547 0.831 -1.634 1.00 0.59 C ATOM 261 CD2 LEU A 15 89.485 0.613 -0.241 1.00 0.57 C ATOM 0 H LEU A 15 89.588 3.651 -3.115 1.00 0.53 H new ATOM 0 HA LEU A 15 88.117 2.968 -0.675 1.00 0.54 H new ATOM 0 HB2 LEU A 15 91.030 3.380 -1.555 1.00 0.52 H new ATOM 0 HB3 LEU A 15 90.631 2.940 0.094 1.00 0.52 H new ATOM 0 HG LEU A 15 89.553 1.349 -2.265 1.00 0.51 H new ATOM 0 HD11 LEU A 15 91.453 -0.213 -1.934 1.00 0.59 H new ATOM 0 HD12 LEU A 15 92.026 1.397 -2.433 1.00 0.59 H new ATOM 0 HD13 LEU A 15 92.153 0.895 -0.730 1.00 0.59 H new ATOM 0 HD21 LEU A 15 89.394 -0.431 -0.542 1.00 0.57 H new ATOM 0 HD22 LEU A 15 90.088 0.678 0.665 1.00 0.57 H new ATOM 0 HD23 LEU A 15 88.493 1.022 -0.047 1.00 0.57 H new ATOM 273 N GLY A 16 89.631 5.897 -0.791 1.00 0.51 N ATOM 274 CA GLY A 16 89.657 7.217 -0.085 1.00 0.61 C ATOM 275 C GLY A 16 91.102 7.709 0.128 1.00 0.60 C ATOM 276 O GLY A 16 91.311 8.772 0.682 1.00 0.74 O ATOM 0 H GLY A 16 90.193 5.850 -1.641 1.00 0.51 H new ATOM 0 HA2 GLY A 16 89.102 7.954 -0.666 1.00 0.61 H new ATOM 0 HA3 GLY A 16 89.155 7.127 0.879 1.00 0.61 H new ATOM 280 N MET A 17 92.098 6.960 -0.301 1.00 0.62 N ATOM 281 CA MET A 17 93.519 7.411 -0.112 1.00 0.75 C ATOM 282 C MET A 17 93.853 8.602 -1.030 1.00 0.72 C ATOM 283 O MET A 17 94.847 9.275 -0.830 1.00 0.88 O ATOM 284 CB MET A 17 94.381 6.198 -0.475 1.00 0.95 C ATOM 285 CG MET A 17 95.324 5.866 0.686 1.00 1.16 C ATOM 286 SD MET A 17 96.823 6.873 0.557 1.00 1.73 S ATOM 287 CE MET A 17 96.907 7.382 2.292 1.00 2.60 C ATOM 0 H MET A 17 91.988 6.061 -0.771 1.00 0.62 H new ATOM 0 HA MET A 17 93.696 7.750 0.909 1.00 0.75 H new ATOM 0 HB2 MET A 17 93.745 5.341 -0.695 1.00 0.95 H new ATOM 0 HB3 MET A 17 94.958 6.407 -1.376 1.00 0.95 H new ATOM 0 HG2 MET A 17 94.827 6.056 1.637 1.00 1.16 H new ATOM 0 HG3 MET A 17 95.582 4.807 0.667 1.00 1.16 H new ATOM 0 HE1 MET A 17 97.571 8.241 2.387 1.00 2.60 H new ATOM 0 HE2 MET A 17 95.910 7.653 2.640 1.00 2.60 H new ATOM 0 HE3 MET A 17 97.291 6.559 2.895 1.00 2.60 H new ATOM 297 N ASP A 18 93.037 8.870 -2.029 1.00 0.69 N ATOM 298 CA ASP A 18 93.315 10.021 -2.947 1.00 0.75 C ATOM 299 C ASP A 18 93.313 11.341 -2.160 1.00 0.71 C ATOM 300 O ASP A 18 92.319 11.730 -1.573 1.00 0.83 O ATOM 301 CB ASP A 18 92.200 9.995 -4.011 1.00 0.83 C ATOM 302 CG ASP A 18 90.810 10.086 -3.360 1.00 1.44 C ATOM 303 OD1 ASP A 18 90.352 9.083 -2.836 1.00 1.92 O ATOM 304 OD2 ASP A 18 90.223 11.154 -3.411 1.00 2.25 O ATOM 0 H ASP A 18 92.193 8.340 -2.245 1.00 0.69 H new ATOM 0 HA ASP A 18 94.296 9.941 -3.415 1.00 0.75 H new ATOM 0 HB2 ASP A 18 92.335 10.825 -4.704 1.00 0.83 H new ATOM 0 HB3 ASP A 18 92.272 9.077 -4.595 1.00 0.83 H new ATOM 309 N GLY A 19 94.437 12.019 -2.134 1.00 0.91 N ATOM 310 CA GLY A 19 94.538 13.306 -1.380 1.00 1.06 C ATOM 311 C GLY A 19 94.439 13.047 0.132 1.00 0.87 C ATOM 312 O GLY A 19 94.070 13.926 0.889 1.00 0.84 O ATOM 0 H GLY A 19 95.294 11.732 -2.607 1.00 0.91 H new ATOM 0 HA2 GLY A 19 95.483 13.797 -1.611 1.00 1.06 H new ATOM 0 HA3 GLY A 19 93.742 13.982 -1.693 1.00 1.06 H new ATOM 316 N TYR A 20 94.762 11.852 0.578 1.00 0.84 N ATOM 317 CA TYR A 20 94.681 11.544 2.039 1.00 0.75 C ATOM 318 C TYR A 20 96.012 11.867 2.729 1.00 0.73 C ATOM 319 O TYR A 20 97.046 11.326 2.382 1.00 0.94 O ATOM 320 CB TYR A 20 94.381 10.045 2.119 1.00 0.82 C ATOM 321 CG TYR A 20 93.749 9.728 3.453 1.00 1.11 C ATOM 322 CD1 TYR A 20 92.367 9.876 3.624 1.00 1.80 C ATOM 323 CD2 TYR A 20 94.543 9.287 4.518 1.00 1.81 C ATOM 324 CE1 TYR A 20 91.780 9.582 4.860 1.00 2.24 C ATOM 325 CE2 TYR A 20 93.956 8.993 5.754 1.00 2.24 C ATOM 326 CZ TYR A 20 92.574 9.140 5.925 1.00 2.18 C ATOM 327 OH TYR A 20 91.995 8.849 7.144 1.00 2.77 O ATOM 0 H TYR A 20 95.077 11.080 -0.009 1.00 0.84 H new ATOM 0 HA TYR A 20 93.916 12.137 2.540 1.00 0.75 H new ATOM 0 HB2 TYR A 20 93.712 9.754 1.309 1.00 0.82 H new ATOM 0 HB3 TYR A 20 95.300 9.472 1.995 1.00 0.82 H new ATOM 0 HD1 TYR A 20 91.754 10.217 2.802 1.00 1.80 H new ATOM 0 HD2 TYR A 20 95.609 9.174 4.386 1.00 1.81 H new ATOM 0 HE1 TYR A 20 90.714 9.696 4.992 1.00 2.24 H new ATOM 0 HE2 TYR A 20 94.569 8.653 6.576 1.00 2.24 H new ATOM 0 HH TYR A 20 92.687 8.555 7.773 1.00 2.77 H new ATOM 337 N ARG A 21 95.982 12.750 3.706 1.00 0.72 N ATOM 338 CA ARG A 21 97.229 13.139 4.451 1.00 0.82 C ATOM 339 C ARG A 21 98.322 13.661 3.494 1.00 1.01 C ATOM 340 O ARG A 21 99.496 13.630 3.816 1.00 1.67 O ATOM 341 CB ARG A 21 97.694 11.859 5.161 1.00 0.96 C ATOM 342 CG ARG A 21 97.119 11.820 6.579 1.00 1.12 C ATOM 343 CD ARG A 21 98.176 12.309 7.573 1.00 1.06 C ATOM 344 NE ARG A 21 97.400 12.831 8.734 1.00 1.77 N ATOM 345 CZ ARG A 21 97.411 14.109 9.008 1.00 2.28 C ATOM 346 NH1 ARG A 21 96.618 14.924 8.360 1.00 3.01 N ATOM 347 NH2 ARG A 21 98.215 14.572 9.930 1.00 2.60 N ATOM 0 H ARG A 21 95.136 13.223 4.022 1.00 0.72 H new ATOM 0 HA ARG A 21 97.034 13.950 5.153 1.00 0.82 H new ATOM 0 HB2 ARG A 21 97.368 10.982 4.602 1.00 0.96 H new ATOM 0 HB3 ARG A 21 98.783 11.827 5.198 1.00 0.96 H new ATOM 0 HG2 ARG A 21 96.230 12.448 6.640 1.00 1.12 H new ATOM 0 HG3 ARG A 21 96.811 10.805 6.830 1.00 1.12 H new ATOM 0 HD2 ARG A 21 98.840 11.499 7.874 1.00 1.06 H new ATOM 0 HD3 ARG A 21 98.801 13.087 7.134 1.00 1.06 H new ATOM 0 HE ARG A 21 96.860 12.190 9.315 1.00 1.77 H new ATOM 0 HH11 ARG A 21 95.991 14.562 7.641 1.00 3.01 H new ATOM 0 HH12 ARG A 21 96.627 15.921 8.574 1.00 3.01 H new ATOM 0 HH21 ARG A 21 98.833 13.936 10.434 1.00 2.60 H new ATOM 0 HH22 ARG A 21 98.224 15.569 10.145 1.00 2.60 H new ATOM 361 N GLY A 22 97.948 14.144 2.328 1.00 1.02 N ATOM 362 CA GLY A 22 98.967 14.667 1.364 1.00 1.34 C ATOM 363 C GLY A 22 99.478 13.544 0.444 1.00 1.08 C ATOM 364 O GLY A 22 100.110 13.809 -0.562 1.00 1.06 O ATOM 0 H GLY A 22 96.982 14.197 2.006 1.00 1.02 H new ATOM 0 HA2 GLY A 22 98.530 15.464 0.763 1.00 1.34 H new ATOM 0 HA3 GLY A 22 99.803 15.102 1.912 1.00 1.34 H new ATOM 368 N ILE A 23 99.218 12.298 0.775 1.00 1.00 N ATOM 369 CA ILE A 23 99.700 11.172 -0.085 1.00 0.81 C ATOM 370 C ILE A 23 98.689 10.896 -1.204 1.00 0.71 C ATOM 371 O ILE A 23 97.701 10.209 -1.010 1.00 0.74 O ATOM 372 CB ILE A 23 99.824 9.965 0.858 1.00 0.87 C ATOM 373 CG1 ILE A 23 100.838 10.279 1.970 1.00 1.27 C ATOM 374 CG2 ILE A 23 100.292 8.733 0.073 1.00 1.00 C ATOM 375 CD1 ILE A 23 102.176 10.710 1.356 1.00 1.90 C ATOM 0 H ILE A 23 98.693 12.015 1.603 1.00 1.00 H new ATOM 0 HA ILE A 23 100.651 11.397 -0.569 1.00 0.81 H new ATOM 0 HB ILE A 23 98.850 9.759 1.301 1.00 0.87 H new ATOM 0 HG12 ILE A 23 100.452 11.071 2.612 1.00 1.27 H new ATOM 0 HG13 ILE A 23 100.984 9.401 2.599 1.00 1.27 H new ATOM 0 HG21 ILE A 23 100.377 7.882 0.749 1.00 1.00 H new ATOM 0 HG22 ILE A 23 99.569 8.504 -0.710 1.00 1.00 H new ATOM 0 HG23 ILE A 23 101.263 8.937 -0.379 1.00 1.00 H new ATOM 0 HD11 ILE A 23 102.887 10.930 2.152 1.00 1.90 H new ATOM 0 HD12 ILE A 23 102.566 9.905 0.733 1.00 1.90 H new ATOM 0 HD13 ILE A 23 102.026 11.601 0.746 1.00 1.90 H new ATOM 387 N SER A 24 98.936 11.430 -2.375 1.00 0.75 N ATOM 388 CA SER A 24 98.003 11.208 -3.523 1.00 0.81 C ATOM 389 C SER A 24 98.125 9.769 -4.045 1.00 0.67 C ATOM 390 O SER A 24 98.946 8.996 -3.583 1.00 0.65 O ATOM 391 CB SER A 24 98.444 12.207 -4.596 1.00 0.94 C ATOM 392 OG SER A 24 98.013 13.511 -4.231 1.00 1.46 O ATOM 0 H SER A 24 99.747 12.012 -2.586 1.00 0.75 H new ATOM 0 HA SER A 24 96.961 11.351 -3.236 1.00 0.81 H new ATOM 0 HB2 SER A 24 99.528 12.187 -4.704 1.00 0.94 H new ATOM 0 HB3 SER A 24 98.023 11.930 -5.562 1.00 0.94 H new ATOM 0 HG SER A 24 98.296 14.153 -4.916 1.00 1.46 H new ATOM 398 N LEU A 25 97.314 9.412 -5.012 1.00 0.71 N ATOM 399 CA LEU A 25 97.374 8.028 -5.586 1.00 0.72 C ATOM 400 C LEU A 25 98.739 7.780 -6.241 1.00 0.63 C ATOM 401 O LEU A 25 99.291 6.701 -6.146 1.00 0.72 O ATOM 402 CB LEU A 25 96.269 7.986 -6.647 1.00 0.91 C ATOM 403 CG LEU A 25 95.069 7.191 -6.132 1.00 0.77 C ATOM 404 CD1 LEU A 25 94.582 7.781 -4.807 1.00 1.45 C ATOM 405 CD2 LEU A 25 93.942 7.270 -7.161 1.00 1.13 C ATOM 0 H LEU A 25 96.611 10.021 -5.430 1.00 0.71 H new ATOM 0 HA LEU A 25 97.240 7.264 -4.820 1.00 0.72 H new ATOM 0 HB2 LEU A 25 95.960 9.000 -6.901 1.00 0.91 H new ATOM 0 HB3 LEU A 25 96.650 7.531 -7.561 1.00 0.91 H new ATOM 0 HG LEU A 25 95.363 6.153 -5.976 1.00 0.77 H new ATOM 0 HD11 LEU A 25 93.727 7.209 -4.447 1.00 1.45 H new ATOM 0 HD12 LEU A 25 95.385 7.735 -4.071 1.00 1.45 H new ATOM 0 HD13 LEU A 25 94.287 8.819 -4.958 1.00 1.45 H new ATOM 0 HD21 LEU A 25 93.081 6.706 -6.802 1.00 1.13 H new ATOM 0 HD22 LEU A 25 93.657 8.312 -7.309 1.00 1.13 H new ATOM 0 HD23 LEU A 25 94.283 6.849 -8.107 1.00 1.13 H new ATOM 417 N ALA A 26 99.279 8.775 -6.907 1.00 0.58 N ATOM 418 CA ALA A 26 100.606 8.611 -7.580 1.00 0.58 C ATOM 419 C ALA A 26 101.736 8.495 -6.545 1.00 0.53 C ATOM 420 O ALA A 26 102.710 7.804 -6.769 1.00 0.63 O ATOM 421 CB ALA A 26 100.781 9.869 -8.428 1.00 0.62 C ATOM 0 H ALA A 26 98.855 9.697 -7.013 1.00 0.58 H new ATOM 0 HA ALA A 26 100.645 7.703 -8.181 1.00 0.58 H new ATOM 0 HB1 ALA A 26 101.734 9.823 -8.954 1.00 0.62 H new ATOM 0 HB2 ALA A 26 99.969 9.935 -9.153 1.00 0.62 H new ATOM 0 HB3 ALA A 26 100.764 10.748 -7.783 1.00 0.62 H new ATOM 427 N ASN A 27 101.610 9.155 -5.413 1.00 0.47 N ATOM 428 CA ASN A 27 102.679 9.066 -4.363 1.00 0.52 C ATOM 429 C ASN A 27 102.793 7.621 -3.863 1.00 0.56 C ATOM 430 O ASN A 27 103.878 7.109 -3.663 1.00 0.76 O ATOM 431 CB ASN A 27 102.224 9.993 -3.227 1.00 0.57 C ATOM 432 CG ASN A 27 102.698 11.424 -3.501 1.00 0.72 C ATOM 433 OD1 ASN A 27 103.584 11.918 -2.834 1.00 1.10 O ATOM 434 ND2 ASN A 27 102.139 12.119 -4.458 1.00 0.67 N ATOM 0 H ASN A 27 100.816 9.749 -5.173 1.00 0.47 H new ATOM 0 HA ASN A 27 103.657 9.358 -4.747 1.00 0.52 H new ATOM 0 HB2 ASN A 27 101.138 9.971 -3.141 1.00 0.57 H new ATOM 0 HB3 ASN A 27 102.627 9.643 -2.277 1.00 0.57 H new ATOM 0 HD21 ASN A 27 102.448 13.074 -4.642 1.00 0.67 H new ATOM 0 HD22 ASN A 27 101.394 11.706 -5.020 1.00 0.67 H new ATOM 441 N TRP A 28 101.675 6.960 -3.685 1.00 0.48 N ATOM 442 CA TRP A 28 101.697 5.542 -3.225 1.00 0.54 C ATOM 443 C TRP A 28 101.968 4.620 -4.421 1.00 0.53 C ATOM 444 O TRP A 28 102.594 3.594 -4.283 1.00 0.64 O ATOM 445 CB TRP A 28 100.305 5.285 -2.640 1.00 0.58 C ATOM 446 CG TRP A 28 100.422 4.399 -1.439 1.00 0.92 C ATOM 447 CD1 TRP A 28 101.141 4.684 -0.328 1.00 1.95 C ATOM 448 CD2 TRP A 28 99.813 3.095 -1.209 1.00 1.07 C ATOM 449 NE1 TRP A 28 101.014 3.638 0.567 1.00 2.04 N ATOM 450 CE2 TRP A 28 100.205 2.635 0.071 1.00 1.35 C ATOM 451 CE3 TRP A 28 98.968 2.276 -1.978 1.00 2.03 C ATOM 452 CZ2 TRP A 28 99.774 1.406 0.569 1.00 1.63 C ATOM 453 CZ3 TRP A 28 98.532 1.037 -1.479 1.00 2.72 C ATOM 454 CH2 TRP A 28 98.935 0.604 -0.208 1.00 2.29 C ATOM 0 H TRP A 28 100.744 7.347 -3.840 1.00 0.48 H new ATOM 0 HA TRP A 28 102.477 5.352 -2.488 1.00 0.54 H new ATOM 0 HB2 TRP A 28 99.835 6.229 -2.364 1.00 0.58 H new ATOM 0 HB3 TRP A 28 99.665 4.818 -3.389 1.00 0.58 H new ATOM 0 HD1 TRP A 28 101.719 5.582 -0.167 1.00 1.95 H new ATOM 0 HE1 TRP A 28 101.463 3.611 1.482 1.00 2.04 H new ATOM 0 HE3 TRP A 28 98.652 2.601 -2.958 1.00 2.03 H new ATOM 0 HZ2 TRP A 28 100.087 1.076 1.549 1.00 1.63 H new ATOM 0 HZ3 TRP A 28 97.883 0.415 -2.078 1.00 2.72 H new ATOM 0 HH2 TRP A 28 98.597 -0.349 0.170 1.00 2.29 H new ATOM 465 N MET A 29 101.515 4.995 -5.598 1.00 0.49 N ATOM 466 CA MET A 29 101.765 4.154 -6.813 1.00 0.58 C ATOM 467 C MET A 29 103.262 4.173 -7.158 1.00 0.61 C ATOM 468 O MET A 29 103.818 3.184 -7.595 1.00 0.86 O ATOM 469 CB MET A 29 100.951 4.813 -7.936 1.00 0.60 C ATOM 470 CG MET A 29 100.952 3.914 -9.173 1.00 1.07 C ATOM 471 SD MET A 29 99.761 4.552 -10.377 1.00 1.72 S ATOM 472 CE MET A 29 100.880 4.615 -11.798 1.00 2.15 C ATOM 0 H MET A 29 100.983 5.848 -5.768 1.00 0.49 H new ATOM 0 HA MET A 29 101.477 3.114 -6.662 1.00 0.58 H new ATOM 0 HB2 MET A 29 99.928 4.987 -7.602 1.00 0.60 H new ATOM 0 HB3 MET A 29 101.375 5.786 -8.182 1.00 0.60 H new ATOM 0 HG2 MET A 29 101.949 3.882 -9.612 1.00 1.07 H new ATOM 0 HG3 MET A 29 100.693 2.892 -8.895 1.00 1.07 H new ATOM 0 HE1 MET A 29 100.300 4.745 -12.712 1.00 2.15 H new ATOM 0 HE2 MET A 29 101.568 5.452 -11.682 1.00 2.15 H new ATOM 0 HE3 MET A 29 101.446 3.686 -11.857 1.00 2.15 H new ATOM 482 N CYS A 30 103.913 5.297 -6.951 1.00 0.47 N ATOM 483 CA CYS A 30 105.376 5.409 -7.250 1.00 0.57 C ATOM 484 C CYS A 30 106.187 4.483 -6.331 1.00 0.54 C ATOM 485 O CYS A 30 107.234 3.993 -6.712 1.00 0.67 O ATOM 486 CB CYS A 30 105.721 6.879 -6.971 1.00 0.68 C ATOM 487 SG CYS A 30 107.392 7.251 -7.566 1.00 1.17 S ATOM 0 H CYS A 30 103.487 6.148 -6.584 1.00 0.47 H new ATOM 0 HA CYS A 30 105.610 5.117 -8.274 1.00 0.57 H new ATOM 0 HB2 CYS A 30 104.998 7.530 -7.463 1.00 0.68 H new ATOM 0 HB3 CYS A 30 105.654 7.080 -5.902 1.00 0.68 H new ATOM 492 N LEU A 31 105.721 4.248 -5.124 1.00 0.47 N ATOM 493 CA LEU A 31 106.486 3.361 -4.190 1.00 0.52 C ATOM 494 C LEU A 31 105.860 1.960 -4.084 1.00 0.51 C ATOM 495 O LEU A 31 106.568 0.975 -4.043 1.00 0.63 O ATOM 496 CB LEU A 31 106.444 4.074 -2.836 1.00 0.57 C ATOM 497 CG LEU A 31 107.836 4.035 -2.196 1.00 0.79 C ATOM 498 CD1 LEU A 31 108.863 4.664 -3.142 1.00 0.98 C ATOM 499 CD2 LEU A 31 107.815 4.817 -0.881 1.00 1.44 C ATOM 0 H LEU A 31 104.852 4.629 -4.749 1.00 0.47 H new ATOM 0 HA LEU A 31 107.504 3.203 -4.545 1.00 0.52 H new ATOM 0 HB2 LEU A 31 106.121 5.107 -2.966 1.00 0.57 H new ATOM 0 HB3 LEU A 31 105.717 3.593 -2.182 1.00 0.57 H new ATOM 0 HG LEU A 31 108.111 2.998 -2.003 1.00 0.79 H new ATOM 0 HD11 LEU A 31 109.850 4.633 -2.680 1.00 0.98 H new ATOM 0 HD12 LEU A 31 108.883 4.108 -4.079 1.00 0.98 H new ATOM 0 HD13 LEU A 31 108.588 5.700 -3.341 1.00 0.98 H new ATOM 0 HD21 LEU A 31 108.805 4.789 -0.425 1.00 1.44 H new ATOM 0 HD22 LEU A 31 107.535 5.852 -1.078 1.00 1.44 H new ATOM 0 HD23 LEU A 31 107.090 4.368 -0.202 1.00 1.44 H new ATOM 511 N ALA A 32 104.551 1.860 -4.025 1.00 0.49 N ATOM 512 CA ALA A 32 103.897 0.512 -3.905 1.00 0.51 C ATOM 513 C ALA A 32 104.274 -0.388 -5.090 1.00 0.53 C ATOM 514 O ALA A 32 104.773 -1.482 -4.906 1.00 0.61 O ATOM 515 CB ALA A 32 102.389 0.781 -3.897 1.00 0.55 C ATOM 0 H ALA A 32 103.907 2.651 -4.055 1.00 0.49 H new ATOM 0 HA ALA A 32 104.221 -0.006 -3.002 1.00 0.51 H new ATOM 0 HB1 ALA A 32 101.851 -0.163 -3.811 1.00 0.55 H new ATOM 0 HB2 ALA A 32 102.138 1.420 -3.050 1.00 0.55 H new ATOM 0 HB3 ALA A 32 102.103 1.278 -4.824 1.00 0.55 H new ATOM 521 N LYS A 33 104.038 0.060 -6.303 1.00 0.55 N ATOM 522 CA LYS A 33 104.387 -0.777 -7.497 1.00 0.66 C ATOM 523 C LYS A 33 105.910 -0.999 -7.589 1.00 0.70 C ATOM 524 O LYS A 33 106.364 -1.956 -8.188 1.00 0.79 O ATOM 525 CB LYS A 33 103.849 -0.008 -8.719 1.00 0.76 C ATOM 526 CG LYS A 33 104.864 1.038 -9.210 1.00 0.85 C ATOM 527 CD LYS A 33 105.692 0.463 -10.366 1.00 0.90 C ATOM 528 CE LYS A 33 104.786 0.199 -11.576 1.00 0.95 C ATOM 529 NZ LYS A 33 105.638 0.473 -12.771 1.00 1.01 N ATOM 0 H LYS A 33 103.620 0.966 -6.517 1.00 0.55 H new ATOM 0 HA LYS A 33 103.945 -1.772 -7.436 1.00 0.66 H new ATOM 0 HB2 LYS A 33 103.627 -0.709 -9.524 1.00 0.76 H new ATOM 0 HB3 LYS A 33 102.912 0.485 -8.458 1.00 0.76 H new ATOM 0 HG2 LYS A 33 104.342 1.937 -9.538 1.00 0.85 H new ATOM 0 HG3 LYS A 33 105.521 1.331 -8.391 1.00 0.85 H new ATOM 0 HD2 LYS A 33 106.484 1.160 -10.639 1.00 0.90 H new ATOM 0 HD3 LYS A 33 106.175 -0.463 -10.054 1.00 0.90 H new ATOM 0 HE2 LYS A 33 104.423 -0.829 -11.579 1.00 0.95 H new ATOM 0 HE3 LYS A 33 103.910 0.847 -11.560 1.00 0.95 H new ATOM 0 HZ1 LYS A 33 105.138 0.169 -13.631 1.00 1.01 H new ATOM 0 HZ2 LYS A 33 105.838 1.492 -12.829 1.00 1.01 H new ATOM 0 HZ3 LYS A 33 106.532 -0.051 -12.687 1.00 1.01 H new ATOM 543 N TRP A 34 106.701 -0.135 -6.995 1.00 0.68 N ATOM 544 CA TRP A 34 108.183 -0.319 -7.047 1.00 0.78 C ATOM 545 C TRP A 34 108.628 -1.319 -5.975 1.00 0.80 C ATOM 546 O TRP A 34 109.461 -2.173 -6.222 1.00 0.99 O ATOM 547 CB TRP A 34 108.776 1.064 -6.766 1.00 0.78 C ATOM 548 CG TRP A 34 110.225 1.065 -7.135 1.00 1.05 C ATOM 549 CD1 TRP A 34 110.712 1.326 -8.370 1.00 1.95 C ATOM 550 CD2 TRP A 34 111.380 0.789 -6.290 1.00 1.32 C ATOM 551 NE1 TRP A 34 112.091 1.234 -8.336 1.00 2.07 N ATOM 552 CE2 TRP A 34 112.550 0.904 -7.077 1.00 1.55 C ATOM 553 CE3 TRP A 34 111.525 0.455 -4.931 1.00 2.25 C ATOM 554 CZ2 TRP A 34 113.819 0.695 -6.535 1.00 1.93 C ATOM 555 CZ3 TRP A 34 112.801 0.243 -4.383 1.00 2.96 C ATOM 556 CH2 TRP A 34 113.945 0.363 -5.184 1.00 2.61 C ATOM 0 H TRP A 34 106.383 0.686 -6.479 1.00 0.68 H new ATOM 0 HA TRP A 34 108.512 -0.711 -8.009 1.00 0.78 H new ATOM 0 HB2 TRP A 34 108.243 1.824 -7.338 1.00 0.78 H new ATOM 0 HB3 TRP A 34 108.657 1.316 -5.712 1.00 0.78 H new ATOM 0 HD1 TRP A 34 110.120 1.567 -9.241 1.00 1.95 H new ATOM 0 HE1 TRP A 34 112.695 1.391 -9.143 1.00 2.07 H new ATOM 0 HE3 TRP A 34 110.650 0.361 -4.305 1.00 2.25 H new ATOM 0 HZ2 TRP A 34 114.698 0.789 -7.156 1.00 1.93 H new ATOM 0 HZ3 TRP A 34 112.901 -0.014 -3.339 1.00 2.96 H new ATOM 0 HH2 TRP A 34 114.923 0.199 -4.757 1.00 2.61 H new ATOM 567 N GLU A 35 108.081 -1.217 -4.788 1.00 0.70 N ATOM 568 CA GLU A 35 108.472 -2.159 -3.695 1.00 0.77 C ATOM 569 C GLU A 35 107.800 -3.536 -3.879 1.00 0.75 C ATOM 570 O GLU A 35 108.258 -4.527 -3.342 1.00 0.87 O ATOM 571 CB GLU A 35 108.022 -1.477 -2.392 1.00 0.78 C ATOM 572 CG GLU A 35 106.491 -1.491 -2.268 1.00 0.73 C ATOM 573 CD GLU A 35 106.101 -2.073 -0.913 1.00 1.45 C ATOM 574 OE1 GLU A 35 106.213 -1.359 0.071 1.00 2.27 O ATOM 575 OE2 GLU A 35 105.693 -3.219 -0.882 1.00 1.91 O ATOM 0 H GLU A 35 107.381 -0.522 -4.530 1.00 0.70 H new ATOM 0 HA GLU A 35 109.544 -2.355 -3.692 1.00 0.77 H new ATOM 0 HB2 GLU A 35 108.465 -1.988 -1.537 1.00 0.78 H new ATOM 0 HB3 GLU A 35 108.383 -0.449 -2.371 1.00 0.78 H new ATOM 0 HG2 GLU A 35 106.097 -0.480 -2.369 1.00 0.73 H new ATOM 0 HG3 GLU A 35 106.055 -2.085 -3.071 1.00 0.73 H new ATOM 582 N SER A 36 106.726 -3.607 -4.639 1.00 0.67 N ATOM 583 CA SER A 36 106.037 -4.919 -4.862 1.00 0.69 C ATOM 584 C SER A 36 105.585 -5.043 -6.324 1.00 0.74 C ATOM 585 O SER A 36 105.879 -6.019 -6.988 1.00 0.89 O ATOM 586 CB SER A 36 104.826 -4.906 -3.925 1.00 0.63 C ATOM 587 OG SER A 36 105.227 -5.352 -2.636 1.00 1.02 O ATOM 0 H SER A 36 106.299 -2.811 -5.113 1.00 0.67 H new ATOM 0 HA SER A 36 106.695 -5.764 -4.660 1.00 0.69 H new ATOM 0 HB2 SER A 36 104.411 -3.900 -3.862 1.00 0.63 H new ATOM 0 HB3 SER A 36 104.040 -5.551 -4.318 1.00 0.63 H new ATOM 0 HG SER A 36 105.350 -4.579 -2.046 1.00 1.02 H new ATOM 593 N GLY A 37 104.871 -4.061 -6.825 1.00 0.68 N ATOM 594 CA GLY A 37 104.394 -4.112 -8.241 1.00 0.81 C ATOM 595 C GLY A 37 102.913 -4.483 -8.263 1.00 0.76 C ATOM 596 O GLY A 37 102.530 -5.474 -8.851 1.00 0.83 O ATOM 0 H GLY A 37 104.598 -3.224 -6.310 1.00 0.68 H new ATOM 0 HA2 GLY A 37 104.546 -3.146 -8.723 1.00 0.81 H new ATOM 0 HA3 GLY A 37 104.972 -4.844 -8.805 1.00 0.81 H new ATOM 600 N TYR A 38 102.079 -3.693 -7.616 1.00 0.73 N ATOM 601 CA TYR A 38 100.607 -3.985 -7.574 1.00 0.77 C ATOM 602 C TYR A 38 100.365 -5.423 -7.089 1.00 0.67 C ATOM 603 O TYR A 38 99.440 -6.085 -7.520 1.00 0.80 O ATOM 604 CB TYR A 38 100.105 -3.803 -9.017 1.00 0.95 C ATOM 605 CG TYR A 38 100.437 -2.410 -9.508 1.00 1.85 C ATOM 606 CD1 TYR A 38 99.895 -1.293 -8.862 1.00 2.47 C ATOM 607 CD2 TYR A 38 101.291 -2.239 -10.605 1.00 2.76 C ATOM 608 CE1 TYR A 38 100.206 -0.005 -9.312 1.00 3.39 C ATOM 609 CE2 TYR A 38 101.600 -0.951 -11.056 1.00 3.74 C ATOM 610 CZ TYR A 38 101.058 0.167 -10.408 1.00 3.90 C ATOM 611 OH TYR A 38 101.365 1.437 -10.851 1.00 4.95 O ATOM 0 H TYR A 38 102.360 -2.852 -7.112 1.00 0.73 H new ATOM 0 HA TYR A 38 100.080 -3.325 -6.885 1.00 0.77 H new ATOM 0 HB2 TYR A 38 100.566 -4.546 -9.668 1.00 0.95 H new ATOM 0 HB3 TYR A 38 99.028 -3.966 -9.060 1.00 0.95 H new ATOM 0 HD1 TYR A 38 99.237 -1.425 -8.016 1.00 2.47 H new ATOM 0 HD2 TYR A 38 101.711 -3.101 -11.102 1.00 2.76 H new ATOM 0 HE1 TYR A 38 99.788 0.857 -8.813 1.00 3.39 H new ATOM 0 HE2 TYR A 38 102.256 -0.819 -11.903 1.00 3.74 H new ATOM 0 HH TYR A 38 102.165 1.761 -10.386 1.00 4.95 H new ATOM 621 N ASN A 39 101.199 -5.910 -6.199 1.00 0.51 N ATOM 622 CA ASN A 39 101.032 -7.302 -5.694 1.00 0.45 C ATOM 623 C ASN A 39 100.760 -7.302 -4.186 1.00 0.42 C ATOM 624 O ASN A 39 101.670 -7.233 -3.379 1.00 0.46 O ATOM 625 CB ASN A 39 102.362 -7.997 -6.011 1.00 0.50 C ATOM 626 CG ASN A 39 102.162 -9.516 -6.046 1.00 0.71 C ATOM 627 OD1 ASN A 39 101.148 -9.999 -6.512 1.00 1.34 O ATOM 628 ND2 ASN A 39 103.097 -10.297 -5.574 1.00 0.90 N ATOM 0 H ASN A 39 101.988 -5.399 -5.803 1.00 0.51 H new ATOM 0 HA ASN A 39 100.186 -7.810 -6.157 1.00 0.45 H new ATOM 0 HB2 ASN A 39 102.744 -7.650 -6.971 1.00 0.50 H new ATOM 0 HB3 ASN A 39 103.107 -7.737 -5.259 1.00 0.50 H new ATOM 0 HD21 ASN A 39 102.975 -11.309 -5.597 1.00 0.90 H new ATOM 0 HD22 ASN A 39 103.948 -9.894 -5.183 1.00 0.90 H new ATOM 635 N THR A 40 99.508 -7.392 -3.806 1.00 0.42 N ATOM 636 CA THR A 40 99.151 -7.418 -2.352 1.00 0.43 C ATOM 637 C THR A 40 99.715 -8.687 -1.683 1.00 0.40 C ATOM 638 O THR A 40 99.918 -8.724 -0.485 1.00 0.43 O ATOM 639 CB THR A 40 97.613 -7.411 -2.318 1.00 0.51 C ATOM 640 OG1 THR A 40 97.173 -7.043 -1.019 1.00 1.43 O ATOM 641 CG2 THR A 40 97.067 -8.801 -2.670 1.00 1.35 C ATOM 0 H THR A 40 98.714 -7.449 -4.444 1.00 0.42 H new ATOM 0 HA THR A 40 99.569 -6.571 -1.808 1.00 0.43 H new ATOM 0 HB THR A 40 97.244 -6.692 -3.050 1.00 0.51 H new ATOM 0 HG1 THR A 40 97.517 -7.684 -0.363 1.00 1.43 H new ATOM 0 HG21 THR A 40 95.978 -8.782 -2.642 1.00 1.35 H new ATOM 0 HG22 THR A 40 97.400 -9.080 -3.670 1.00 1.35 H new ATOM 0 HG23 THR A 40 97.436 -9.530 -1.948 1.00 1.35 H new ATOM 649 N ARG A 41 99.973 -9.721 -2.457 1.00 0.39 N ATOM 650 CA ARG A 41 100.528 -10.985 -1.880 1.00 0.42 C ATOM 651 C ARG A 41 102.067 -10.971 -1.904 1.00 0.39 C ATOM 652 O ARG A 41 102.699 -11.990 -1.695 1.00 0.44 O ATOM 653 CB ARG A 41 99.976 -12.107 -2.771 1.00 0.51 C ATOM 654 CG ARG A 41 100.553 -11.992 -4.189 1.00 1.37 C ATOM 655 CD ARG A 41 100.601 -13.376 -4.845 1.00 1.78 C ATOM 656 NE ARG A 41 99.331 -13.486 -5.620 1.00 2.18 N ATOM 657 CZ ARG A 41 98.573 -14.544 -5.490 1.00 2.55 C ATOM 658 NH1 ARG A 41 97.696 -14.605 -4.520 1.00 3.04 N ATOM 659 NH2 ARG A 41 98.693 -15.541 -6.331 1.00 3.00 N ATOM 0 H ARG A 41 99.821 -9.740 -3.465 1.00 0.39 H new ATOM 0 HA ARG A 41 100.242 -11.116 -0.836 1.00 0.42 H new ATOM 0 HB2 ARG A 41 100.230 -13.078 -2.345 1.00 0.51 H new ATOM 0 HB3 ARG A 41 98.888 -12.050 -2.808 1.00 0.51 H new ATOM 0 HG2 ARG A 41 99.940 -11.317 -4.787 1.00 1.37 H new ATOM 0 HG3 ARG A 41 101.554 -11.563 -4.150 1.00 1.37 H new ATOM 0 HD2 ARG A 41 101.469 -13.473 -5.496 1.00 1.78 H new ATOM 0 HD3 ARG A 41 100.675 -14.164 -4.096 1.00 1.78 H new ATOM 0 HE ARG A 41 99.053 -12.735 -6.252 1.00 2.18 H new ATOM 0 HH11 ARG A 41 97.604 -13.828 -3.866 1.00 3.04 H new ATOM 0 HH12 ARG A 41 97.105 -15.430 -4.418 1.00 3.04 H new ATOM 0 HH21 ARG A 41 99.377 -15.492 -7.086 1.00 3.00 H new ATOM 0 HH22 ARG A 41 98.103 -16.367 -6.231 1.00 3.00 H new ATOM 673 N ALA A 42 102.670 -9.825 -2.142 1.00 0.35 N ATOM 674 CA ALA A 42 104.163 -9.745 -2.161 1.00 0.38 C ATOM 675 C ALA A 42 104.683 -9.865 -0.728 1.00 0.37 C ATOM 676 O ALA A 42 104.868 -8.882 -0.034 1.00 0.41 O ATOM 677 CB ALA A 42 104.499 -8.370 -2.750 1.00 0.43 C ATOM 0 H ALA A 42 102.189 -8.944 -2.323 1.00 0.35 H new ATOM 0 HA ALA A 42 104.620 -10.541 -2.749 1.00 0.38 H new ATOM 0 HB1 ALA A 42 105.581 -8.247 -2.792 1.00 0.43 H new ATOM 0 HB2 ALA A 42 104.086 -8.294 -3.756 1.00 0.43 H new ATOM 0 HB3 ALA A 42 104.069 -7.590 -2.122 1.00 0.43 H new ATOM 683 N THR A 43 104.884 -11.073 -0.275 1.00 0.39 N ATOM 684 CA THR A 43 105.356 -11.289 1.123 1.00 0.40 C ATOM 685 C THR A 43 106.747 -11.929 1.128 1.00 0.47 C ATOM 686 O THR A 43 107.034 -12.825 0.354 1.00 0.61 O ATOM 687 CB THR A 43 104.314 -12.232 1.745 1.00 0.44 C ATOM 688 OG1 THR A 43 104.338 -13.483 1.069 1.00 0.51 O ATOM 689 CG2 THR A 43 102.915 -11.615 1.622 1.00 0.41 C ATOM 0 H THR A 43 104.741 -11.925 -0.817 1.00 0.39 H new ATOM 0 HA THR A 43 105.447 -10.356 1.680 1.00 0.40 H new ATOM 0 HB THR A 43 104.552 -12.381 2.798 1.00 0.44 H new ATOM 0 HG1 THR A 43 103.674 -14.083 1.468 1.00 0.51 H new ATOM 0 HG21 THR A 43 102.180 -12.288 2.065 1.00 0.41 H new ATOM 0 HG22 THR A 43 102.892 -10.659 2.144 1.00 0.41 H new ATOM 0 HG23 THR A 43 102.677 -11.460 0.570 1.00 0.41 H new ATOM 697 N ASN A 44 107.610 -11.474 2.001 1.00 0.46 N ATOM 698 CA ASN A 44 108.989 -12.045 2.074 1.00 0.55 C ATOM 699 C ASN A 44 109.454 -12.128 3.536 1.00 0.56 C ATOM 700 O ASN A 44 108.969 -11.413 4.395 1.00 0.77 O ATOM 701 CB ASN A 44 109.875 -11.089 1.255 1.00 0.67 C ATOM 702 CG ASN A 44 109.830 -9.669 1.838 1.00 1.11 C ATOM 703 OD1 ASN A 44 110.350 -9.419 2.908 1.00 1.59 O ATOM 704 ND2 ASN A 44 109.231 -8.720 1.168 1.00 1.92 N ATOM 0 H ASN A 44 107.417 -10.728 2.669 1.00 0.46 H new ATOM 0 HA ASN A 44 109.037 -13.059 1.678 1.00 0.55 H new ATOM 0 HB2 ASN A 44 110.903 -11.453 1.250 1.00 0.67 H new ATOM 0 HB3 ASN A 44 109.538 -11.072 0.218 1.00 0.67 H new ATOM 0 HD21 ASN A 44 109.201 -7.772 1.543 1.00 1.92 H new ATOM 0 HD22 ASN A 44 108.794 -8.927 0.270 1.00 1.92 H new ATOM 711 N TYR A 45 110.388 -13.002 3.820 1.00 0.78 N ATOM 712 CA TYR A 45 110.888 -13.146 5.224 1.00 0.90 C ATOM 713 C TYR A 45 111.911 -12.048 5.548 1.00 0.75 C ATOM 714 O TYR A 45 112.520 -11.474 4.664 1.00 1.11 O ATOM 715 CB TYR A 45 111.547 -14.528 5.276 1.00 1.47 C ATOM 716 CG TYR A 45 110.676 -15.470 6.071 1.00 2.03 C ATOM 717 CD1 TYR A 45 109.678 -16.212 5.427 1.00 2.65 C ATOM 718 CD2 TYR A 45 110.866 -15.602 7.451 1.00 2.85 C ATOM 719 CE1 TYR A 45 108.871 -17.085 6.163 1.00 3.62 C ATOM 720 CE2 TYR A 45 110.060 -16.475 8.187 1.00 3.76 C ATOM 721 CZ TYR A 45 109.062 -17.217 7.544 1.00 4.03 C ATOM 722 OH TYR A 45 108.267 -18.079 8.271 1.00 5.13 O ATOM 0 H TYR A 45 110.827 -13.623 3.140 1.00 0.78 H new ATOM 0 HA TYR A 45 110.084 -13.050 5.954 1.00 0.90 H new ATOM 0 HB2 TYR A 45 111.690 -14.913 4.266 1.00 1.47 H new ATOM 0 HB3 TYR A 45 112.534 -14.455 5.733 1.00 1.47 H new ATOM 0 HD1 TYR A 45 109.532 -16.110 4.362 1.00 2.65 H new ATOM 0 HD2 TYR A 45 111.635 -15.029 7.947 1.00 2.85 H new ATOM 0 HE1 TYR A 45 108.101 -17.657 5.667 1.00 3.62 H new ATOM 0 HE2 TYR A 45 110.207 -16.577 9.252 1.00 3.76 H new ATOM 0 HH TYR A 45 108.532 -18.052 9.214 1.00 5.13 H new ATOM 732 N ASN A 46 112.101 -11.759 6.813 1.00 0.79 N ATOM 733 CA ASN A 46 113.079 -10.705 7.213 1.00 1.08 C ATOM 734 C ASN A 46 114.278 -11.348 7.918 1.00 1.17 C ATOM 735 O ASN A 46 114.133 -11.999 8.934 1.00 1.35 O ATOM 736 CB ASN A 46 112.310 -9.791 8.173 1.00 1.51 C ATOM 737 CG ASN A 46 111.501 -8.767 7.371 1.00 2.00 C ATOM 738 OD1 ASN A 46 111.945 -7.654 7.166 1.00 2.60 O ATOM 739 ND2 ASN A 46 110.324 -9.095 6.906 1.00 1.97 N ATOM 0 H ASN A 46 111.617 -12.212 7.588 1.00 0.79 H new ATOM 0 HA ASN A 46 113.470 -10.152 6.359 1.00 1.08 H new ATOM 0 HB2 ASN A 46 111.645 -10.384 8.801 1.00 1.51 H new ATOM 0 HB3 ASN A 46 113.005 -9.279 8.839 1.00 1.51 H new ATOM 0 HD21 ASN A 46 109.780 -8.417 6.372 1.00 1.97 H new ATOM 0 HD22 ASN A 46 109.950 -10.028 7.077 1.00 1.97 H new ATOM 746 N ALA A 47 115.460 -11.173 7.382 1.00 1.38 N ATOM 747 CA ALA A 47 116.676 -11.775 8.019 1.00 1.66 C ATOM 748 C ALA A 47 117.079 -11.005 9.291 1.00 1.56 C ATOM 749 O ALA A 47 117.880 -11.481 10.075 1.00 2.06 O ATOM 750 CB ALA A 47 117.777 -11.666 6.961 1.00 2.09 C ATOM 0 H ALA A 47 115.638 -10.640 6.531 1.00 1.38 H new ATOM 0 HA ALA A 47 116.496 -12.805 8.327 1.00 1.66 H new ATOM 0 HB1 ALA A 47 118.702 -12.087 7.354 1.00 2.09 H new ATOM 0 HB2 ALA A 47 117.479 -12.215 6.068 1.00 2.09 H new ATOM 0 HB3 ALA A 47 117.935 -10.618 6.707 1.00 2.09 H new ATOM 756 N GLY A 48 116.541 -9.822 9.502 1.00 1.22 N ATOM 757 CA GLY A 48 116.909 -9.031 10.718 1.00 1.42 C ATOM 758 C GLY A 48 115.837 -9.179 11.803 1.00 1.33 C ATOM 759 O GLY A 48 116.148 -9.360 12.965 1.00 1.45 O ATOM 0 H GLY A 48 115.865 -9.374 8.884 1.00 1.22 H new ATOM 0 HA2 GLY A 48 117.871 -9.370 11.101 1.00 1.42 H new ATOM 0 HA3 GLY A 48 117.024 -7.980 10.454 1.00 1.42 H new ATOM 763 N ASP A 49 114.582 -9.096 11.438 1.00 1.22 N ATOM 764 CA ASP A 49 113.487 -9.223 12.456 1.00 1.26 C ATOM 765 C ASP A 49 112.839 -10.619 12.423 1.00 1.12 C ATOM 766 O ASP A 49 112.019 -10.938 13.266 1.00 1.17 O ATOM 767 CB ASP A 49 112.462 -8.153 12.068 1.00 1.33 C ATOM 768 CG ASP A 49 112.973 -6.775 12.494 1.00 1.72 C ATOM 769 OD1 ASP A 49 112.818 -6.439 13.655 1.00 2.34 O ATOM 770 OD2 ASP A 49 113.516 -6.079 11.653 1.00 2.15 O ATOM 0 H ASP A 49 114.266 -8.946 10.480 1.00 1.22 H new ATOM 0 HA ASP A 49 113.870 -9.092 13.468 1.00 1.26 H new ATOM 0 HB2 ASP A 49 112.291 -8.172 10.992 1.00 1.33 H new ATOM 0 HB3 ASP A 49 111.505 -8.361 12.546 1.00 1.33 H new ATOM 775 N ARG A 50 113.190 -11.446 11.456 1.00 1.06 N ATOM 776 CA ARG A 50 112.595 -12.825 11.351 1.00 1.09 C ATOM 777 C ARG A 50 111.058 -12.766 11.254 1.00 0.89 C ATOM 778 O ARG A 50 110.377 -13.737 11.532 1.00 1.08 O ATOM 779 CB ARG A 50 113.035 -13.561 12.626 1.00 1.39 C ATOM 780 CG ARG A 50 114.385 -14.243 12.387 1.00 1.63 C ATOM 781 CD ARG A 50 114.350 -15.665 12.952 1.00 2.03 C ATOM 782 NE ARG A 50 115.778 -16.035 13.159 1.00 2.67 N ATOM 783 CZ ARG A 50 116.238 -16.226 14.369 1.00 3.08 C ATOM 784 NH1 ARG A 50 116.619 -15.203 15.092 1.00 3.37 N ATOM 785 NH2 ARG A 50 116.315 -17.439 14.854 1.00 3.76 N ATOM 0 H ARG A 50 113.869 -11.221 10.729 1.00 1.06 H new ATOM 0 HA ARG A 50 112.935 -13.337 10.450 1.00 1.09 H new ATOM 0 HB2 ARG A 50 113.113 -12.858 13.455 1.00 1.39 H new ATOM 0 HB3 ARG A 50 112.287 -14.302 12.907 1.00 1.39 H new ATOM 0 HG2 ARG A 50 114.606 -14.270 11.320 1.00 1.63 H new ATOM 0 HG3 ARG A 50 115.182 -13.671 12.863 1.00 1.63 H new ATOM 0 HD2 ARG A 50 113.793 -15.704 13.888 1.00 2.03 H new ATOM 0 HD3 ARG A 50 113.861 -16.352 12.261 1.00 2.03 H new ATOM 0 HE ARG A 50 116.398 -16.140 12.356 1.00 2.67 H new ATOM 0 HH11 ARG A 50 116.557 -14.259 14.712 1.00 3.37 H new ATOM 0 HH12 ARG A 50 116.978 -15.351 16.035 1.00 3.37 H new ATOM 0 HH21 ARG A 50 116.017 -18.234 14.289 1.00 3.76 H new ATOM 0 HH22 ARG A 50 116.673 -17.589 15.797 1.00 3.76 H new ATOM 799 N SER A 51 110.509 -11.640 10.852 1.00 0.77 N ATOM 800 CA SER A 51 109.023 -11.523 10.729 1.00 0.63 C ATOM 801 C SER A 51 108.605 -11.649 9.257 1.00 0.58 C ATOM 802 O SER A 51 109.432 -11.831 8.381 1.00 0.81 O ATOM 803 CB SER A 51 108.680 -10.129 11.271 1.00 0.74 C ATOM 804 OG SER A 51 109.238 -9.972 12.572 1.00 1.35 O ATOM 0 H SER A 51 111.029 -10.798 10.604 1.00 0.77 H new ATOM 0 HA SER A 51 108.501 -12.307 11.277 1.00 0.63 H new ATOM 0 HB2 SER A 51 109.070 -9.362 10.602 1.00 0.74 H new ATOM 0 HB3 SER A 51 107.599 -9.999 11.310 1.00 0.74 H new ATOM 0 HG SER A 51 108.678 -9.362 13.097 1.00 1.35 H new ATOM 810 N THR A 52 107.328 -11.548 8.978 1.00 0.48 N ATOM 811 CA THR A 52 106.854 -11.653 7.564 1.00 0.46 C ATOM 812 C THR A 52 105.907 -10.490 7.244 1.00 0.42 C ATOM 813 O THR A 52 105.053 -10.138 8.038 1.00 0.52 O ATOM 814 CB THR A 52 106.116 -12.994 7.472 1.00 0.57 C ATOM 815 OG1 THR A 52 106.918 -14.023 8.039 1.00 0.71 O ATOM 816 CG2 THR A 52 105.835 -13.320 6.003 1.00 0.67 C ATOM 0 H THR A 52 106.594 -11.397 9.670 1.00 0.48 H new ATOM 0 HA THR A 52 107.677 -11.605 6.851 1.00 0.46 H new ATOM 0 HB THR A 52 105.176 -12.927 8.019 1.00 0.57 H new ATOM 0 HG1 THR A 52 106.443 -14.878 7.980 1.00 0.71 H new ATOM 0 HG21 THR A 52 105.310 -14.273 5.936 1.00 0.67 H new ATOM 0 HG22 THR A 52 105.217 -12.534 5.568 1.00 0.67 H new ATOM 0 HG23 THR A 52 106.777 -13.385 5.458 1.00 0.67 H new ATOM 824 N ASP A 53 106.053 -9.895 6.086 1.00 0.35 N ATOM 825 CA ASP A 53 105.167 -8.756 5.704 1.00 0.36 C ATOM 826 C ASP A 53 104.050 -9.242 4.775 1.00 0.37 C ATOM 827 O ASP A 53 104.226 -10.172 4.009 1.00 0.45 O ATOM 828 CB ASP A 53 106.082 -7.749 4.993 1.00 0.44 C ATOM 829 CG ASP A 53 106.400 -8.235 3.574 1.00 0.99 C ATOM 830 OD1 ASP A 53 107.375 -8.945 3.421 1.00 1.78 O ATOM 831 OD2 ASP A 53 105.657 -7.895 2.666 1.00 1.66 O ATOM 0 H ASP A 53 106.751 -10.151 5.387 1.00 0.35 H new ATOM 0 HA ASP A 53 104.678 -8.306 6.568 1.00 0.36 H new ATOM 0 HB2 ASP A 53 105.598 -6.773 4.951 1.00 0.44 H new ATOM 0 HB3 ASP A 53 107.006 -7.623 5.558 1.00 0.44 H new ATOM 836 N TYR A 54 102.906 -8.617 4.846 1.00 0.35 N ATOM 837 CA TYR A 54 101.762 -9.021 3.983 1.00 0.38 C ATOM 838 C TYR A 54 101.025 -7.775 3.490 1.00 0.39 C ATOM 839 O TYR A 54 100.583 -6.961 4.278 1.00 0.52 O ATOM 840 CB TYR A 54 100.866 -9.857 4.898 1.00 0.42 C ATOM 841 CG TYR A 54 101.189 -11.321 4.722 1.00 0.56 C ATOM 842 CD1 TYR A 54 100.564 -12.061 3.712 1.00 1.49 C ATOM 843 CD2 TYR A 54 102.124 -11.937 5.565 1.00 1.18 C ATOM 844 CE1 TYR A 54 100.873 -13.416 3.545 1.00 1.66 C ATOM 845 CE2 TYR A 54 102.431 -13.291 5.398 1.00 1.28 C ATOM 846 CZ TYR A 54 101.806 -14.031 4.388 1.00 1.05 C ATOM 847 OH TYR A 54 102.112 -15.367 4.220 1.00 1.32 O ATOM 0 H TYR A 54 102.715 -7.835 5.473 1.00 0.35 H new ATOM 0 HA TYR A 54 102.071 -9.578 3.099 1.00 0.38 H new ATOM 0 HB2 TYR A 54 101.015 -9.564 5.937 1.00 0.42 H new ATOM 0 HB3 TYR A 54 99.817 -9.675 4.663 1.00 0.42 H new ATOM 0 HD1 TYR A 54 99.844 -11.587 3.062 1.00 1.49 H new ATOM 0 HD2 TYR A 54 102.607 -11.366 6.344 1.00 1.18 H new ATOM 0 HE1 TYR A 54 100.391 -13.987 2.765 1.00 1.66 H new ATOM 0 HE2 TYR A 54 103.151 -13.766 6.049 1.00 1.28 H new ATOM 0 HH TYR A 54 102.778 -15.636 4.886 1.00 1.32 H new ATOM 857 N GLY A 55 100.894 -7.617 2.196 1.00 0.33 N ATOM 858 CA GLY A 55 100.187 -6.418 1.656 1.00 0.36 C ATOM 859 C GLY A 55 100.921 -5.881 0.425 1.00 0.34 C ATOM 860 O GLY A 55 102.048 -6.250 0.147 1.00 0.36 O ATOM 0 H GLY A 55 101.246 -8.266 1.492 1.00 0.33 H new ATOM 0 HA2 GLY A 55 99.162 -6.679 1.392 1.00 0.36 H new ATOM 0 HA3 GLY A 55 100.131 -5.644 2.422 1.00 0.36 H new ATOM 864 N ILE A 56 100.284 -5.004 -0.311 1.00 0.32 N ATOM 865 CA ILE A 56 100.932 -4.423 -1.529 1.00 0.33 C ATOM 866 C ILE A 56 102.038 -3.429 -1.128 1.00 0.36 C ATOM 867 O ILE A 56 102.909 -3.116 -1.920 1.00 0.48 O ATOM 868 CB ILE A 56 99.792 -3.730 -2.297 1.00 0.36 C ATOM 869 CG1 ILE A 56 100.156 -3.654 -3.786 1.00 0.52 C ATOM 870 CG2 ILE A 56 99.548 -2.315 -1.750 1.00 0.48 C ATOM 871 CD1 ILE A 56 98.878 -3.548 -4.621 1.00 1.63 C ATOM 0 H ILE A 56 99.341 -4.664 -0.121 1.00 0.32 H new ATOM 0 HA ILE A 56 101.419 -5.180 -2.144 1.00 0.33 H new ATOM 0 HB ILE A 56 98.878 -4.310 -2.168 1.00 0.36 H new ATOM 0 HG12 ILE A 56 100.796 -2.791 -3.971 1.00 0.52 H new ATOM 0 HG13 ILE A 56 100.721 -4.539 -4.078 1.00 0.52 H new ATOM 0 HG21 ILE A 56 98.738 -1.844 -2.307 1.00 0.48 H new ATOM 0 HG22 ILE A 56 99.276 -2.374 -0.696 1.00 0.48 H new ATOM 0 HG23 ILE A 56 100.456 -1.722 -1.858 1.00 0.48 H new ATOM 0 HD11 ILE A 56 99.138 -3.494 -5.678 1.00 1.63 H new ATOM 0 HD12 ILE A 56 98.254 -4.424 -4.445 1.00 1.63 H new ATOM 0 HD13 ILE A 56 98.330 -2.650 -4.336 1.00 1.63 H new ATOM 883 N PHE A 57 102.015 -2.942 0.095 1.00 0.35 N ATOM 884 CA PHE A 57 103.065 -1.981 0.546 1.00 0.41 C ATOM 885 C PHE A 57 103.963 -2.625 1.620 1.00 0.38 C ATOM 886 O PHE A 57 104.458 -1.954 2.507 1.00 0.43 O ATOM 887 CB PHE A 57 102.288 -0.787 1.111 1.00 0.48 C ATOM 888 CG PHE A 57 103.209 0.401 1.267 1.00 0.81 C ATOM 889 CD1 PHE A 57 103.854 0.942 0.147 1.00 1.62 C ATOM 890 CD2 PHE A 57 103.415 0.962 2.532 1.00 1.55 C ATOM 891 CE1 PHE A 57 104.707 2.042 0.295 1.00 1.98 C ATOM 892 CE2 PHE A 57 104.268 2.062 2.680 1.00 1.89 C ATOM 893 CZ PHE A 57 104.913 2.602 1.561 1.00 1.77 C ATOM 0 H PHE A 57 101.311 -3.172 0.797 1.00 0.35 H new ATOM 0 HA PHE A 57 103.730 -1.682 -0.264 1.00 0.41 H new ATOM 0 HB2 PHE A 57 101.462 -0.533 0.447 1.00 0.48 H new ATOM 0 HB3 PHE A 57 101.852 -1.049 2.075 1.00 0.48 H new ATOM 0 HD1 PHE A 57 103.693 0.511 -0.830 1.00 1.62 H new ATOM 0 HD2 PHE A 57 102.916 0.546 3.395 1.00 1.55 H new ATOM 0 HE1 PHE A 57 105.206 2.458 -0.568 1.00 1.98 H new ATOM 0 HE2 PHE A 57 104.428 2.494 3.657 1.00 1.89 H new ATOM 0 HZ PHE A 57 105.570 3.451 1.675 1.00 1.77 H new ATOM 903 N GLN A 58 104.194 -3.921 1.526 1.00 0.36 N ATOM 904 CA GLN A 58 105.074 -4.628 2.512 1.00 0.38 C ATOM 905 C GLN A 58 104.675 -4.299 3.960 1.00 0.34 C ATOM 906 O GLN A 58 105.491 -3.854 4.749 1.00 0.43 O ATOM 907 CB GLN A 58 106.495 -4.120 2.207 1.00 0.51 C ATOM 908 CG GLN A 58 107.401 -5.296 1.831 1.00 1.01 C ATOM 909 CD GLN A 58 107.233 -5.623 0.344 1.00 1.09 C ATOM 910 OE1 GLN A 58 108.001 -5.167 -0.479 1.00 1.70 O ATOM 911 NE2 GLN A 58 106.255 -6.400 -0.037 1.00 1.18 N ATOM 0 H GLN A 58 103.804 -4.521 0.799 1.00 0.36 H new ATOM 0 HA GLN A 58 104.993 -5.711 2.421 1.00 0.38 H new ATOM 0 HB2 GLN A 58 106.465 -3.398 1.391 1.00 0.51 H new ATOM 0 HB3 GLN A 58 106.900 -3.602 3.076 1.00 0.51 H new ATOM 0 HG2 GLN A 58 108.441 -5.049 2.043 1.00 1.01 H new ATOM 0 HG3 GLN A 58 107.151 -6.168 2.435 1.00 1.01 H new ATOM 0 HE21 GLN A 58 105.610 -6.783 0.654 1.00 1.18 H new ATOM 0 HE22 GLN A 58 106.137 -6.624 -1.025 1.00 1.18 H new ATOM 920 N ILE A 59 103.435 -4.533 4.326 1.00 0.27 N ATOM 921 CA ILE A 59 103.017 -4.246 5.733 1.00 0.27 C ATOM 922 C ILE A 59 103.510 -5.377 6.631 1.00 0.26 C ATOM 923 O ILE A 59 103.171 -6.526 6.442 1.00 0.33 O ATOM 924 CB ILE A 59 101.486 -4.171 5.719 1.00 0.30 C ATOM 925 CG1 ILE A 59 101.025 -2.924 4.948 1.00 0.99 C ATOM 926 CG2 ILE A 59 100.959 -4.098 7.156 1.00 0.97 C ATOM 927 CD1 ILE A 59 101.875 -1.706 5.333 1.00 1.76 C ATOM 0 H ILE A 59 102.705 -4.905 3.719 1.00 0.27 H new ATOM 0 HA ILE A 59 103.435 -3.314 6.114 1.00 0.27 H new ATOM 0 HB ILE A 59 101.095 -5.063 5.229 1.00 0.30 H new ATOM 0 HG12 ILE A 59 101.102 -3.104 3.876 1.00 0.99 H new ATOM 0 HG13 ILE A 59 99.975 -2.724 5.163 1.00 0.99 H new ATOM 0 HG21 ILE A 59 99.870 -4.045 7.142 1.00 0.97 H new ATOM 0 HG22 ILE A 59 101.272 -4.987 7.704 1.00 0.97 H new ATOM 0 HG23 ILE A 59 101.359 -3.210 7.646 1.00 0.97 H new ATOM 0 HD11 ILE A 59 101.533 -0.833 4.777 1.00 1.76 H new ATOM 0 HD12 ILE A 59 101.776 -1.517 6.402 1.00 1.76 H new ATOM 0 HD13 ILE A 59 102.920 -1.902 5.094 1.00 1.76 H new ATOM 939 N ASN A 60 104.326 -5.053 7.590 1.00 0.27 N ATOM 940 CA ASN A 60 104.879 -6.106 8.497 1.00 0.30 C ATOM 941 C ASN A 60 103.947 -6.350 9.685 1.00 0.35 C ATOM 942 O ASN A 60 103.194 -5.483 10.088 1.00 0.52 O ATOM 943 CB ASN A 60 106.230 -5.566 8.977 1.00 0.33 C ATOM 944 CG ASN A 60 107.094 -5.172 7.772 1.00 0.64 C ATOM 945 OD1 ASN A 60 107.747 -6.008 7.179 1.00 1.51 O ATOM 946 ND2 ASN A 60 107.126 -3.925 7.385 1.00 1.04 N ATOM 0 H ASN A 60 104.638 -4.103 7.790 1.00 0.27 H new ATOM 0 HA ASN A 60 104.983 -7.061 7.982 1.00 0.30 H new ATOM 0 HB2 ASN A 60 106.077 -4.702 9.624 1.00 0.33 H new ATOM 0 HB3 ASN A 60 106.743 -6.322 9.571 1.00 0.33 H new ATOM 0 HD21 ASN A 60 107.699 -3.654 6.586 1.00 1.04 H new ATOM 0 HD22 ASN A 60 106.578 -3.223 7.882 1.00 1.04 H new ATOM 953 N SER A 61 104.005 -7.530 10.254 1.00 0.35 N ATOM 954 CA SER A 61 103.135 -7.849 11.428 1.00 0.40 C ATOM 955 C SER A 61 103.881 -7.588 12.751 1.00 0.43 C ATOM 956 O SER A 61 103.458 -8.033 13.803 1.00 0.53 O ATOM 957 CB SER A 61 102.790 -9.337 11.283 1.00 0.47 C ATOM 958 OG SER A 61 103.975 -10.082 11.024 1.00 1.17 O ATOM 0 H SER A 61 104.619 -8.287 9.955 1.00 0.35 H new ATOM 0 HA SER A 61 102.241 -7.225 11.450 1.00 0.40 H new ATOM 0 HB2 SER A 61 102.313 -9.700 12.193 1.00 0.47 H new ATOM 0 HB3 SER A 61 102.076 -9.477 10.471 1.00 0.47 H new ATOM 0 HG SER A 61 103.880 -10.985 11.392 1.00 1.17 H new ATOM 964 N ARG A 62 104.980 -6.866 12.714 1.00 0.43 N ATOM 965 CA ARG A 62 105.734 -6.579 13.971 1.00 0.50 C ATOM 966 C ARG A 62 105.211 -5.297 14.634 1.00 0.49 C ATOM 967 O ARG A 62 105.107 -5.222 15.843 1.00 0.55 O ATOM 968 CB ARG A 62 107.191 -6.403 13.538 1.00 0.60 C ATOM 969 CG ARG A 62 108.110 -6.650 14.736 1.00 0.73 C ATOM 970 CD ARG A 62 109.568 -6.640 14.274 1.00 0.94 C ATOM 971 NE ARG A 62 110.362 -6.927 15.503 1.00 1.26 N ATOM 972 CZ ARG A 62 110.676 -5.956 16.322 1.00 1.62 C ATOM 973 NH1 ARG A 62 111.714 -5.199 16.071 1.00 2.23 N ATOM 974 NH2 ARG A 62 109.953 -5.744 17.392 1.00 2.28 N ATOM 0 H ARG A 62 105.383 -6.466 11.867 1.00 0.43 H new ATOM 0 HA ARG A 62 105.621 -7.379 14.702 1.00 0.50 H new ATOM 0 HB2 ARG A 62 107.429 -7.098 12.733 1.00 0.60 H new ATOM 0 HB3 ARG A 62 107.347 -5.398 13.147 1.00 0.60 H new ATOM 0 HG2 ARG A 62 107.952 -5.882 15.493 1.00 0.73 H new ATOM 0 HG3 ARG A 62 107.871 -7.607 15.199 1.00 0.73 H new ATOM 0 HD2 ARG A 62 109.744 -7.392 13.505 1.00 0.94 H new ATOM 0 HD3 ARG A 62 109.840 -5.676 13.844 1.00 0.94 H new ATOM 0 HE ARG A 62 110.661 -7.881 15.705 1.00 1.26 H new ATOM 0 HH11 ARG A 62 112.278 -5.366 15.237 1.00 2.23 H new ATOM 0 HH12 ARG A 62 111.959 -4.442 16.709 1.00 2.23 H new ATOM 0 HH21 ARG A 62 109.145 -6.336 17.587 1.00 2.28 H new ATOM 0 HH22 ARG A 62 110.197 -4.987 18.031 1.00 2.28 H new ATOM 988 N TYR A 63 104.889 -4.287 13.858 1.00 0.48 N ATOM 989 CA TYR A 63 104.381 -3.013 14.460 1.00 0.54 C ATOM 990 C TYR A 63 103.149 -2.470 13.706 1.00 0.55 C ATOM 991 O TYR A 63 102.740 -1.343 13.923 1.00 0.65 O ATOM 992 CB TYR A 63 105.555 -2.033 14.351 1.00 0.65 C ATOM 993 CG TYR A 63 105.629 -1.188 15.604 1.00 0.82 C ATOM 994 CD1 TYR A 63 106.206 -1.710 16.770 1.00 1.56 C ATOM 995 CD2 TYR A 63 105.118 0.116 15.600 1.00 1.46 C ATOM 996 CE1 TYR A 63 106.271 -0.927 17.929 1.00 1.81 C ATOM 997 CE2 TYR A 63 105.182 0.896 16.760 1.00 1.59 C ATOM 998 CZ TYR A 63 105.759 0.375 17.924 1.00 1.39 C ATOM 999 OH TYR A 63 105.821 1.146 19.068 1.00 1.71 O ATOM 0 H TYR A 63 104.956 -4.290 12.840 1.00 0.48 H new ATOM 0 HA TYR A 63 104.053 -3.163 15.489 1.00 0.54 H new ATOM 0 HB2 TYR A 63 106.487 -2.581 14.214 1.00 0.65 H new ATOM 0 HB3 TYR A 63 105.429 -1.395 13.477 1.00 0.65 H new ATOM 0 HD1 TYR A 63 106.600 -2.715 16.774 1.00 1.56 H new ATOM 0 HD2 TYR A 63 104.675 0.520 14.702 1.00 1.46 H new ATOM 0 HE1 TYR A 63 106.717 -1.328 18.827 1.00 1.81 H new ATOM 0 HE2 TYR A 63 104.786 1.901 16.757 1.00 1.59 H new ATOM 0 HH TYR A 63 105.422 2.024 18.893 1.00 1.71 H new ATOM 1009 N TRP A 64 102.554 -3.247 12.826 1.00 0.48 N ATOM 1010 CA TRP A 64 101.355 -2.747 12.074 1.00 0.52 C ATOM 1011 C TRP A 64 100.183 -3.740 12.163 1.00 0.49 C ATOM 1012 O TRP A 64 99.036 -3.339 12.224 1.00 0.59 O ATOM 1013 CB TRP A 64 101.822 -2.596 10.623 1.00 0.54 C ATOM 1014 CG TRP A 64 102.835 -1.496 10.530 1.00 0.61 C ATOM 1015 CD1 TRP A 64 104.093 -1.639 10.052 1.00 1.46 C ATOM 1016 CD2 TRP A 64 102.701 -0.097 10.917 1.00 1.11 C ATOM 1017 NE1 TRP A 64 104.737 -0.416 10.117 1.00 1.37 N ATOM 1018 CE2 TRP A 64 103.920 0.566 10.642 1.00 0.87 C ATOM 1019 CE3 TRP A 64 101.648 0.656 11.469 1.00 2.36 C ATOM 1020 CZ2 TRP A 64 104.091 1.924 10.912 1.00 1.36 C ATOM 1021 CZ3 TRP A 64 101.817 2.023 11.741 1.00 3.08 C ATOM 1022 CH2 TRP A 64 103.035 2.656 11.461 1.00 2.50 C ATOM 0 H TRP A 64 102.845 -4.198 12.598 1.00 0.48 H new ATOM 0 HA TRP A 64 100.990 -1.807 12.489 1.00 0.52 H new ATOM 0 HB2 TRP A 64 102.255 -3.532 10.271 1.00 0.54 H new ATOM 0 HB3 TRP A 64 100.971 -2.375 9.978 1.00 0.54 H new ATOM 0 HD1 TRP A 64 104.524 -2.557 9.681 1.00 1.46 H new ATOM 0 HE1 TRP A 64 105.698 -0.259 9.814 1.00 1.37 H new ATOM 0 HE3 TRP A 64 100.703 0.179 11.685 1.00 2.36 H new ATOM 0 HZ2 TRP A 64 105.033 2.406 10.698 1.00 1.36 H new ATOM 0 HZ3 TRP A 64 101.003 2.590 12.169 1.00 3.08 H new ATOM 0 HH2 TRP A 64 103.158 3.709 11.669 1.00 2.50 H new ATOM 1033 N CYS A 65 100.457 -5.025 12.167 1.00 0.45 N ATOM 1034 CA CYS A 65 99.353 -6.034 12.247 1.00 0.46 C ATOM 1035 C CYS A 65 99.746 -7.180 13.190 1.00 0.43 C ATOM 1036 O CYS A 65 100.896 -7.562 13.266 1.00 0.45 O ATOM 1037 CB CYS A 65 99.185 -6.542 10.808 1.00 0.52 C ATOM 1038 SG CYS A 65 98.460 -8.202 10.812 1.00 1.41 S ATOM 0 H CYS A 65 101.397 -5.417 12.118 1.00 0.45 H new ATOM 0 HA CYS A 65 98.429 -5.612 12.641 1.00 0.46 H new ATOM 0 HB2 CYS A 65 98.547 -5.860 10.246 1.00 0.52 H new ATOM 0 HB3 CYS A 65 100.152 -6.561 10.306 1.00 0.52 H new ATOM 1043 N ASN A 66 98.796 -7.737 13.901 1.00 0.56 N ATOM 1044 CA ASN A 66 99.116 -8.865 14.828 1.00 0.58 C ATOM 1045 C ASN A 66 98.830 -10.200 14.129 1.00 0.65 C ATOM 1046 O ASN A 66 97.692 -10.534 13.851 1.00 0.82 O ATOM 1047 CB ASN A 66 98.198 -8.671 16.041 1.00 0.67 C ATOM 1048 CG ASN A 66 98.571 -9.675 17.137 1.00 0.86 C ATOM 1049 OD1 ASN A 66 99.714 -9.752 17.544 1.00 1.26 O ATOM 1050 ND2 ASN A 66 97.650 -10.452 17.640 1.00 1.36 N ATOM 0 H ASN A 66 97.815 -7.459 13.879 1.00 0.56 H new ATOM 0 HA ASN A 66 100.164 -8.876 15.127 1.00 0.58 H new ATOM 0 HB2 ASN A 66 98.290 -7.653 16.420 1.00 0.67 H new ATOM 0 HB3 ASN A 66 97.157 -8.808 15.747 1.00 0.67 H new ATOM 0 HD21 ASN A 66 97.891 -11.121 18.372 1.00 1.36 H new ATOM 0 HD22 ASN A 66 96.690 -10.390 17.301 1.00 1.36 H new ATOM 1057 N ASP A 67 99.859 -10.958 13.835 1.00 0.56 N ATOM 1058 CA ASP A 67 99.656 -12.270 13.142 1.00 0.65 C ATOM 1059 C ASP A 67 99.578 -13.417 14.159 1.00 0.71 C ATOM 1060 O ASP A 67 98.783 -14.326 14.012 1.00 0.89 O ATOM 1061 CB ASP A 67 100.879 -12.434 12.234 1.00 0.61 C ATOM 1062 CG ASP A 67 100.704 -13.667 11.341 1.00 1.28 C ATOM 1063 OD1 ASP A 67 101.064 -14.748 11.778 1.00 2.03 O ATOM 1064 OD2 ASP A 67 100.214 -13.509 10.236 1.00 1.87 O ATOM 0 H ASP A 67 100.830 -10.725 14.045 1.00 0.56 H new ATOM 0 HA ASP A 67 98.723 -12.293 12.579 1.00 0.65 H new ATOM 0 HB2 ASP A 67 101.008 -11.544 11.618 1.00 0.61 H new ATOM 0 HB3 ASP A 67 101.780 -12.537 12.838 1.00 0.61 H new ATOM 1069 N GLY A 68 100.399 -13.384 15.183 1.00 0.75 N ATOM 1070 CA GLY A 68 100.379 -14.476 16.206 1.00 0.86 C ATOM 1071 C GLY A 68 101.806 -14.989 16.473 1.00 0.87 C ATOM 1072 O GLY A 68 102.037 -15.701 17.432 1.00 1.05 O ATOM 0 H GLY A 68 101.082 -12.646 15.353 1.00 0.75 H new ATOM 0 HA2 GLY A 68 99.939 -14.107 17.133 1.00 0.86 H new ATOM 0 HA3 GLY A 68 99.750 -15.296 15.859 1.00 0.86 H new ATOM 1076 N LYS A 69 102.760 -14.636 15.638 1.00 0.80 N ATOM 1077 CA LYS A 69 104.168 -15.106 15.846 1.00 0.93 C ATOM 1078 C LYS A 69 105.116 -13.912 16.040 1.00 0.80 C ATOM 1079 O LYS A 69 106.151 -14.037 16.667 1.00 0.88 O ATOM 1080 CB LYS A 69 104.526 -15.866 14.565 1.00 1.20 C ATOM 1081 CG LYS A 69 104.186 -17.350 14.733 1.00 1.66 C ATOM 1082 CD LYS A 69 102.780 -17.621 14.189 1.00 2.45 C ATOM 1083 CE LYS A 69 102.836 -17.748 12.663 1.00 3.23 C ATOM 1084 NZ LYS A 69 101.463 -18.163 12.256 1.00 3.97 N ATOM 0 H LYS A 69 102.622 -14.042 14.821 1.00 0.80 H new ATOM 0 HA LYS A 69 104.261 -15.729 16.736 1.00 0.93 H new ATOM 0 HB2 LYS A 69 103.978 -15.451 13.719 1.00 1.20 H new ATOM 0 HB3 LYS A 69 105.587 -15.749 14.346 1.00 1.20 H new ATOM 0 HG2 LYS A 69 104.916 -17.963 14.204 1.00 1.66 H new ATOM 0 HG3 LYS A 69 104.239 -17.629 15.785 1.00 1.66 H new ATOM 0 HD2 LYS A 69 102.380 -18.536 14.626 1.00 2.45 H new ATOM 0 HD3 LYS A 69 102.107 -16.812 14.472 1.00 2.45 H new ATOM 0 HE2 LYS A 69 103.116 -16.802 12.199 1.00 3.23 H new ATOM 0 HE3 LYS A 69 103.578 -18.485 12.356 1.00 3.23 H new ATOM 0 HZ1 LYS A 69 101.425 -18.270 11.222 1.00 3.97 H new ATOM 0 HZ2 LYS A 69 101.226 -19.070 12.707 1.00 3.97 H new ATOM 0 HZ3 LYS A 69 100.779 -17.439 12.555 1.00 3.97 H new ATOM 1098 N THR A 70 104.771 -12.758 15.513 1.00 0.69 N ATOM 1099 CA THR A 70 105.648 -11.555 15.673 1.00 0.63 C ATOM 1100 C THR A 70 105.623 -11.072 17.131 1.00 0.63 C ATOM 1101 O THR A 70 104.581 -10.699 17.637 1.00 0.94 O ATOM 1102 CB THR A 70 105.057 -10.483 14.742 1.00 0.72 C ATOM 1103 OG1 THR A 70 103.642 -10.631 14.662 1.00 1.28 O ATOM 1104 CG2 THR A 70 105.668 -10.623 13.347 1.00 0.75 C ATOM 0 H THR A 70 103.917 -12.599 14.978 1.00 0.69 H new ATOM 0 HA THR A 70 106.686 -11.774 15.424 1.00 0.63 H new ATOM 0 HB THR A 70 105.288 -9.496 15.143 1.00 0.72 H new ATOM 0 HG1 THR A 70 103.242 -9.791 14.355 1.00 1.28 H new ATOM 0 HG21 THR A 70 105.248 -9.863 12.688 1.00 0.75 H new ATOM 0 HG22 THR A 70 106.749 -10.494 13.408 1.00 0.75 H new ATOM 0 HG23 THR A 70 105.443 -11.612 12.949 1.00 0.75 H new ATOM 1112 N PRO A 71 106.777 -11.099 17.761 1.00 0.70 N ATOM 1113 CA PRO A 71 106.883 -10.658 19.178 1.00 0.77 C ATOM 1114 C PRO A 71 106.751 -9.134 19.281 1.00 0.81 C ATOM 1115 O PRO A 71 107.344 -8.396 18.514 1.00 1.50 O ATOM 1116 CB PRO A 71 108.278 -11.115 19.594 1.00 1.20 C ATOM 1117 CG PRO A 71 109.055 -11.197 18.320 1.00 1.45 C ATOM 1118 CD PRO A 71 108.077 -11.533 17.226 1.00 1.13 C ATOM 0 HA PRO A 71 106.099 -11.070 19.813 1.00 0.77 H new ATOM 0 HB2 PRO A 71 108.733 -10.410 20.289 1.00 1.20 H new ATOM 0 HB3 PRO A 71 108.243 -12.081 20.098 1.00 1.20 H new ATOM 0 HG2 PRO A 71 109.555 -10.251 18.112 1.00 1.45 H new ATOM 0 HG3 PRO A 71 109.831 -11.959 18.390 1.00 1.45 H new ATOM 0 HD2 PRO A 71 108.321 -11.013 16.300 1.00 1.13 H new ATOM 0 HD3 PRO A 71 108.080 -12.600 17.002 1.00 1.13 H new ATOM 1126 N GLY A 72 105.972 -8.664 20.224 1.00 0.89 N ATOM 1127 CA GLY A 72 105.784 -7.192 20.390 1.00 1.18 C ATOM 1128 C GLY A 72 104.893 -6.644 19.267 1.00 0.93 C ATOM 1129 O GLY A 72 105.004 -5.492 18.894 1.00 1.03 O ATOM 0 H GLY A 72 105.456 -9.241 20.889 1.00 0.89 H new ATOM 0 HA2 GLY A 72 105.331 -6.982 21.359 1.00 1.18 H new ATOM 0 HA3 GLY A 72 106.751 -6.690 20.375 1.00 1.18 H new ATOM 1133 N ALA A 73 104.010 -7.459 18.729 1.00 0.69 N ATOM 1134 CA ALA A 73 103.111 -6.980 17.636 1.00 0.55 C ATOM 1135 C ALA A 73 102.112 -5.958 18.190 1.00 0.53 C ATOM 1136 O ALA A 73 101.118 -6.310 18.798 1.00 0.61 O ATOM 1137 CB ALA A 73 102.390 -8.232 17.128 1.00 0.56 C ATOM 0 H ALA A 73 103.877 -8.433 19.002 1.00 0.69 H new ATOM 0 HA ALA A 73 103.659 -6.484 16.835 1.00 0.55 H new ATOM 0 HB1 ALA A 73 101.710 -7.958 16.321 1.00 0.56 H new ATOM 0 HB2 ALA A 73 103.123 -8.949 16.757 1.00 0.56 H new ATOM 0 HB3 ALA A 73 101.823 -8.681 17.943 1.00 0.56 H new ATOM 1143 N VAL A 74 102.380 -4.692 17.982 1.00 0.54 N ATOM 1144 CA VAL A 74 101.458 -3.626 18.489 1.00 0.57 C ATOM 1145 C VAL A 74 100.227 -3.486 17.571 1.00 0.51 C ATOM 1146 O VAL A 74 99.241 -2.885 17.954 1.00 0.62 O ATOM 1147 CB VAL A 74 102.298 -2.340 18.483 1.00 0.66 C ATOM 1148 CG1 VAL A 74 102.549 -1.886 17.043 1.00 0.98 C ATOM 1149 CG2 VAL A 74 101.556 -1.238 19.244 1.00 1.37 C ATOM 0 H VAL A 74 103.200 -4.349 17.481 1.00 0.54 H new ATOM 0 HA VAL A 74 101.072 -3.855 19.482 1.00 0.57 H new ATOM 0 HB VAL A 74 103.254 -2.537 18.968 1.00 0.66 H new ATOM 0 HG11 VAL A 74 103.145 -0.974 17.048 1.00 0.98 H new ATOM 0 HG12 VAL A 74 103.085 -2.667 16.504 1.00 0.98 H new ATOM 0 HG13 VAL A 74 101.596 -1.694 16.551 1.00 0.98 H new ATOM 0 HG21 VAL A 74 102.154 -0.326 19.239 1.00 1.37 H new ATOM 0 HG22 VAL A 74 100.597 -1.046 18.763 1.00 1.37 H new ATOM 0 HG23 VAL A 74 101.388 -1.556 20.273 1.00 1.37 H new ATOM 1159 N ASN A 75 100.290 -4.040 16.369 1.00 0.43 N ATOM 1160 CA ASN A 75 99.151 -3.968 15.388 1.00 0.49 C ATOM 1161 C ASN A 75 98.411 -2.620 15.457 1.00 0.50 C ATOM 1162 O ASN A 75 97.338 -2.509 16.021 1.00 0.59 O ATOM 1163 CB ASN A 75 98.219 -5.156 15.708 1.00 0.61 C ATOM 1164 CG ASN A 75 97.804 -5.175 17.187 1.00 1.26 C ATOM 1165 OD1 ASN A 75 98.495 -5.731 18.016 1.00 2.18 O ATOM 1166 ND2 ASN A 75 96.688 -4.602 17.549 1.00 1.77 N ATOM 0 H ASN A 75 101.104 -4.549 16.025 1.00 0.43 H new ATOM 0 HA ASN A 75 99.522 -4.034 14.365 1.00 0.49 H new ATOM 0 HB2 ASN A 75 97.329 -5.098 15.082 1.00 0.61 H new ATOM 0 HB3 ASN A 75 98.723 -6.090 15.460 1.00 0.61 H new ATOM 0 HD21 ASN A 75 96.398 -4.622 18.527 1.00 1.77 H new ATOM 0 HD22 ASN A 75 96.106 -4.134 16.854 1.00 1.77 H new ATOM 1173 N ALA A 76 98.982 -1.596 14.866 1.00 0.52 N ATOM 1174 CA ALA A 76 98.322 -0.251 14.874 1.00 0.61 C ATOM 1175 C ALA A 76 96.960 -0.321 14.166 1.00 0.61 C ATOM 1176 O ALA A 76 96.006 0.309 14.582 1.00 0.75 O ATOM 1177 CB ALA A 76 99.280 0.668 14.113 1.00 0.72 C ATOM 0 H ALA A 76 99.877 -1.634 14.378 1.00 0.52 H new ATOM 0 HA ALA A 76 98.133 0.109 15.885 1.00 0.61 H new ATOM 0 HB1 ALA A 76 98.865 1.675 14.076 1.00 0.72 H new ATOM 0 HB2 ALA A 76 100.244 0.691 14.622 1.00 0.72 H new ATOM 0 HB3 ALA A 76 99.415 0.293 13.098 1.00 0.72 H new ATOM 1183 N CYS A 77 96.864 -1.093 13.106 1.00 0.52 N ATOM 1184 CA CYS A 77 95.563 -1.223 12.372 1.00 0.55 C ATOM 1185 C CYS A 77 94.547 -2.033 13.198 1.00 0.55 C ATOM 1186 O CYS A 77 93.357 -1.963 12.956 1.00 0.63 O ATOM 1187 CB CYS A 77 95.908 -1.968 11.077 1.00 0.53 C ATOM 1188 SG CYS A 77 94.522 -1.847 9.917 1.00 0.59 S ATOM 0 H CYS A 77 97.633 -1.639 12.718 1.00 0.52 H new ATOM 0 HA CYS A 77 95.108 -0.251 12.181 1.00 0.55 H new ATOM 0 HB2 CYS A 77 96.807 -1.544 10.630 1.00 0.53 H new ATOM 0 HB3 CYS A 77 96.123 -3.014 11.294 1.00 0.53 H new ATOM 1193 N HIS A 78 95.012 -2.807 14.164 1.00 0.53 N ATOM 1194 CA HIS A 78 94.087 -3.638 15.008 1.00 0.60 C ATOM 1195 C HIS A 78 93.314 -4.640 14.136 1.00 0.60 C ATOM 1196 O HIS A 78 92.199 -5.016 14.448 1.00 0.69 O ATOM 1197 CB HIS A 78 93.132 -2.639 15.679 1.00 0.74 C ATOM 1198 CG HIS A 78 92.706 -3.168 17.023 1.00 0.96 C ATOM 1199 ND1 HIS A 78 93.553 -3.169 18.120 1.00 1.73 N ATOM 1200 CD2 HIS A 78 91.523 -3.711 17.463 1.00 1.68 C ATOM 1201 CE1 HIS A 78 92.875 -3.695 19.156 1.00 2.06 C ATOM 1202 NE2 HIS A 78 91.632 -4.042 18.810 1.00 2.04 N ATOM 0 H HIS A 78 96.000 -2.896 14.402 1.00 0.53 H new ATOM 0 HA HIS A 78 94.631 -4.227 15.747 1.00 0.60 H new ATOM 0 HB2 HIS A 78 93.624 -1.674 15.797 1.00 0.74 H new ATOM 0 HB3 HIS A 78 92.258 -2.476 15.048 1.00 0.74 H new ATOM 0 HD2 HIS A 78 90.642 -3.858 16.856 1.00 1.68 H new ATOM 0 HE1 HIS A 78 93.286 -3.821 20.147 1.00 2.06 H new ATOM 0 HE2 HIS A 78 90.917 -4.460 19.405 1.00 2.04 H new ATOM 1210 N LEU A 79 93.900 -5.067 13.041 1.00 0.53 N ATOM 1211 CA LEU A 79 93.214 -6.032 12.137 1.00 0.57 C ATOM 1212 C LEU A 79 94.141 -7.212 11.817 1.00 0.53 C ATOM 1213 O LEU A 79 95.347 -7.126 11.969 1.00 0.52 O ATOM 1214 CB LEU A 79 92.929 -5.209 10.885 1.00 0.60 C ATOM 1215 CG LEU A 79 91.760 -5.812 10.107 1.00 0.71 C ATOM 1216 CD1 LEU A 79 90.438 -5.444 10.788 1.00 1.03 C ATOM 1217 CD2 LEU A 79 91.778 -5.247 8.688 1.00 0.85 C ATOM 0 H LEU A 79 94.831 -4.783 12.737 1.00 0.53 H new ATOM 0 HA LEU A 79 92.312 -6.462 12.571 1.00 0.57 H new ATOM 0 HB2 LEU A 79 92.698 -4.181 11.163 1.00 0.60 H new ATOM 0 HB3 LEU A 79 93.817 -5.177 10.253 1.00 0.60 H new ATOM 0 HG LEU A 79 91.853 -6.898 10.080 1.00 0.71 H new ATOM 0 HD11 LEU A 79 89.608 -5.876 10.229 1.00 1.03 H new ATOM 0 HD12 LEU A 79 90.432 -5.834 11.806 1.00 1.03 H new ATOM 0 HD13 LEU A 79 90.332 -4.360 10.814 1.00 1.03 H new ATOM 0 HD21 LEU A 79 90.949 -5.668 8.118 1.00 0.85 H new ATOM 0 HD22 LEU A 79 91.678 -4.162 8.727 1.00 0.85 H new ATOM 0 HD23 LEU A 79 92.720 -5.507 8.205 1.00 0.85 H new ATOM 1229 N SER A 80 93.584 -8.312 11.372 1.00 0.62 N ATOM 1230 CA SER A 80 94.424 -9.506 11.036 1.00 0.64 C ATOM 1231 C SER A 80 95.265 -9.235 9.780 1.00 0.57 C ATOM 1232 O SER A 80 94.919 -8.404 8.958 1.00 0.60 O ATOM 1233 CB SER A 80 93.427 -10.642 10.779 1.00 0.76 C ATOM 1234 OG SER A 80 92.568 -10.289 9.699 1.00 1.64 O ATOM 0 H SER A 80 92.582 -8.435 11.226 1.00 0.62 H new ATOM 0 HA SER A 80 95.122 -9.751 11.837 1.00 0.64 H new ATOM 0 HB2 SER A 80 93.962 -11.563 10.546 1.00 0.76 H new ATOM 0 HB3 SER A 80 92.839 -10.834 11.677 1.00 0.76 H new ATOM 0 HG SER A 80 91.933 -11.017 9.535 1.00 1.64 H new ATOM 1240 N CYS A 81 96.366 -9.933 9.626 1.00 0.60 N ATOM 1241 CA CYS A 81 97.233 -9.723 8.421 1.00 0.60 C ATOM 1242 C CYS A 81 96.587 -10.331 7.160 1.00 0.58 C ATOM 1243 O CYS A 81 97.064 -10.124 6.058 1.00 0.57 O ATOM 1244 CB CYS A 81 98.550 -10.432 8.751 1.00 0.75 C ATOM 1245 SG CYS A 81 99.663 -9.274 9.591 1.00 1.41 S ATOM 0 H CYS A 81 96.702 -10.638 10.282 1.00 0.60 H new ATOM 0 HA CYS A 81 97.379 -8.664 8.207 1.00 0.60 H new ATOM 0 HB2 CYS A 81 98.361 -11.297 9.386 1.00 0.75 H new ATOM 0 HB3 CYS A 81 99.015 -10.803 7.838 1.00 0.75 H new ATOM 1250 N SER A 82 95.506 -11.070 7.309 1.00 0.66 N ATOM 1251 CA SER A 82 94.832 -11.680 6.118 1.00 0.71 C ATOM 1252 C SER A 82 94.221 -10.592 5.215 1.00 0.61 C ATOM 1253 O SER A 82 94.072 -10.788 4.024 1.00 0.67 O ATOM 1254 CB SER A 82 93.734 -12.577 6.694 1.00 0.92 C ATOM 1255 OG SER A 82 93.298 -13.486 5.691 1.00 1.71 O ATOM 0 H SER A 82 95.064 -11.275 8.205 1.00 0.66 H new ATOM 0 HA SER A 82 95.535 -12.238 5.499 1.00 0.71 H new ATOM 0 HB2 SER A 82 94.111 -13.124 7.558 1.00 0.92 H new ATOM 0 HB3 SER A 82 92.897 -11.971 7.041 1.00 0.92 H new ATOM 0 HG SER A 82 92.596 -14.064 6.056 1.00 1.71 H new ATOM 1261 N ALA A 83 93.870 -9.451 5.770 1.00 0.54 N ATOM 1262 CA ALA A 83 93.274 -8.352 4.940 1.00 0.55 C ATOM 1263 C ALA A 83 94.271 -7.889 3.868 1.00 0.41 C ATOM 1264 O ALA A 83 93.915 -7.722 2.715 1.00 0.51 O ATOM 1265 CB ALA A 83 92.983 -7.217 5.923 1.00 0.66 C ATOM 0 H ALA A 83 93.971 -9.235 6.762 1.00 0.54 H new ATOM 0 HA ALA A 83 92.375 -8.679 4.417 1.00 0.55 H new ATOM 0 HB1 ALA A 83 92.544 -6.375 5.387 1.00 0.66 H new ATOM 0 HB2 ALA A 83 92.286 -7.565 6.685 1.00 0.66 H new ATOM 0 HB3 ALA A 83 93.911 -6.900 6.398 1.00 0.66 H new ATOM 1271 N LEU A 84 95.517 -7.689 4.237 1.00 0.35 N ATOM 1272 CA LEU A 84 96.540 -7.245 3.234 1.00 0.30 C ATOM 1273 C LEU A 84 97.009 -8.431 2.367 1.00 0.36 C ATOM 1274 O LEU A 84 97.699 -8.248 1.384 1.00 0.57 O ATOM 1275 CB LEU A 84 97.707 -6.680 4.056 1.00 0.30 C ATOM 1276 CG LEU A 84 97.256 -5.427 4.821 1.00 0.28 C ATOM 1277 CD1 LEU A 84 97.862 -5.438 6.226 1.00 0.31 C ATOM 1278 CD2 LEU A 84 97.726 -4.172 4.077 1.00 0.29 C ATOM 0 H LEU A 84 95.868 -7.814 5.186 1.00 0.35 H new ATOM 0 HA LEU A 84 96.132 -6.501 2.549 1.00 0.30 H new ATOM 0 HB2 LEU A 84 98.067 -7.433 4.757 1.00 0.30 H new ATOM 0 HB3 LEU A 84 98.540 -6.433 3.398 1.00 0.30 H new ATOM 0 HG LEU A 84 96.168 -5.422 4.892 1.00 0.28 H new ATOM 0 HD11 LEU A 84 97.541 -4.548 6.768 1.00 0.31 H new ATOM 0 HD12 LEU A 84 97.528 -6.328 6.759 1.00 0.31 H new ATOM 0 HD13 LEU A 84 98.950 -5.446 6.153 1.00 0.31 H new ATOM 0 HD21 LEU A 84 97.405 -3.284 4.622 1.00 0.29 H new ATOM 0 HD22 LEU A 84 98.813 -4.179 4.003 1.00 0.29 H new ATOM 0 HD23 LEU A 84 97.294 -4.159 3.076 1.00 0.29 H new ATOM 1290 N LEU A 85 96.629 -9.641 2.714 1.00 0.43 N ATOM 1291 CA LEU A 85 97.042 -10.832 1.905 1.00 0.60 C ATOM 1292 C LEU A 85 96.154 -10.976 0.653 1.00 0.49 C ATOM 1293 O LEU A 85 96.510 -11.665 -0.286 1.00 0.52 O ATOM 1294 CB LEU A 85 96.835 -12.025 2.853 1.00 0.85 C ATOM 1295 CG LEU A 85 97.267 -13.330 2.173 1.00 1.16 C ATOM 1296 CD1 LEU A 85 97.868 -14.275 3.217 1.00 1.90 C ATOM 1297 CD2 LEU A 85 96.050 -14.003 1.529 1.00 1.43 C ATOM 0 H LEU A 85 96.049 -9.853 3.526 1.00 0.43 H new ATOM 0 HA LEU A 85 98.068 -10.755 1.547 1.00 0.60 H new ATOM 0 HB2 LEU A 85 97.411 -11.876 3.767 1.00 0.85 H new ATOM 0 HB3 LEU A 85 95.786 -12.089 3.144 1.00 0.85 H new ATOM 0 HG LEU A 85 98.009 -13.107 1.407 1.00 1.16 H new ATOM 0 HD11 LEU A 85 98.175 -15.203 2.734 1.00 1.90 H new ATOM 0 HD12 LEU A 85 98.735 -13.802 3.679 1.00 1.90 H new ATOM 0 HD13 LEU A 85 97.123 -14.494 3.982 1.00 1.90 H new ATOM 0 HD21 LEU A 85 96.360 -14.930 1.047 1.00 1.43 H new ATOM 0 HD22 LEU A 85 95.308 -14.224 2.296 1.00 1.43 H new ATOM 0 HD23 LEU A 85 95.616 -13.335 0.786 1.00 1.43 H new ATOM 1309 N GLN A 86 95.000 -10.347 0.638 1.00 0.46 N ATOM 1310 CA GLN A 86 94.086 -10.470 -0.543 1.00 0.42 C ATOM 1311 C GLN A 86 94.167 -9.231 -1.439 1.00 0.42 C ATOM 1312 O GLN A 86 94.451 -8.139 -0.980 1.00 0.49 O ATOM 1313 CB GLN A 86 92.679 -10.584 0.056 1.00 0.50 C ATOM 1314 CG GLN A 86 92.615 -11.772 1.020 1.00 1.29 C ATOM 1315 CD GLN A 86 91.452 -11.579 1.999 1.00 1.42 C ATOM 1316 OE1 GLN A 86 90.553 -12.395 2.058 1.00 2.11 O ATOM 1317 NE2 GLN A 86 91.432 -10.530 2.777 1.00 1.00 N ATOM 0 H GLN A 86 94.653 -9.755 1.392 1.00 0.46 H new ATOM 0 HA GLN A 86 94.353 -11.325 -1.164 1.00 0.42 H new ATOM 0 HB2 GLN A 86 92.423 -9.664 0.582 1.00 0.50 H new ATOM 0 HB3 GLN A 86 91.945 -10.711 -0.740 1.00 0.50 H new ATOM 0 HG2 GLN A 86 92.484 -12.699 0.462 1.00 1.29 H new ATOM 0 HG3 GLN A 86 93.553 -11.860 1.567 1.00 1.29 H new ATOM 0 HE21 GLN A 86 92.186 -9.845 2.728 1.00 1.00 H new ATOM 0 HE22 GLN A 86 90.663 -10.396 3.433 1.00 1.00 H new ATOM 1326 N ASP A 87 93.891 -9.396 -2.714 1.00 0.43 N ATOM 1327 CA ASP A 87 93.917 -8.235 -3.660 1.00 0.51 C ATOM 1328 C ASP A 87 92.875 -7.192 -3.241 1.00 0.54 C ATOM 1329 O ASP A 87 92.997 -6.027 -3.570 1.00 0.64 O ATOM 1330 CB ASP A 87 93.576 -8.818 -5.036 1.00 0.60 C ATOM 1331 CG ASP A 87 93.682 -7.722 -6.104 1.00 1.43 C ATOM 1332 OD1 ASP A 87 94.743 -7.128 -6.218 1.00 2.16 O ATOM 1333 OD2 ASP A 87 92.700 -7.497 -6.792 1.00 2.14 O ATOM 0 H ASP A 87 93.648 -10.290 -3.140 1.00 0.43 H new ATOM 0 HA ASP A 87 94.885 -7.735 -3.668 1.00 0.51 H new ATOM 0 HB2 ASP A 87 94.255 -9.637 -5.273 1.00 0.60 H new ATOM 0 HB3 ASP A 87 92.568 -9.233 -5.026 1.00 0.60 H new ATOM 1338 N ASN A 88 91.866 -7.596 -2.496 1.00 0.53 N ATOM 1339 CA ASN A 88 90.843 -6.618 -2.030 1.00 0.60 C ATOM 1340 C ASN A 88 91.473 -5.768 -0.925 1.00 0.52 C ATOM 1341 O ASN A 88 91.387 -6.084 0.249 1.00 0.53 O ATOM 1342 CB ASN A 88 89.681 -7.463 -1.493 1.00 0.69 C ATOM 1343 CG ASN A 88 88.513 -6.551 -1.104 1.00 1.01 C ATOM 1344 OD1 ASN A 88 87.674 -6.236 -1.925 1.00 1.77 O ATOM 1345 ND2 ASN A 88 88.422 -6.112 0.122 1.00 1.38 N ATOM 0 H ASN A 88 91.714 -8.559 -2.196 1.00 0.53 H new ATOM 0 HA ASN A 88 90.492 -5.946 -2.813 1.00 0.60 H new ATOM 0 HB2 ASN A 88 89.359 -8.178 -2.250 1.00 0.69 H new ATOM 0 HB3 ASN A 88 90.008 -8.040 -0.628 1.00 0.69 H new ATOM 0 HD21 ASN A 88 87.647 -5.505 0.390 1.00 1.38 H new ATOM 0 HD22 ASN A 88 89.126 -6.376 0.812 1.00 1.38 H new ATOM 1352 N ILE A 89 92.143 -4.711 -1.304 1.00 0.50 N ATOM 1353 CA ILE A 89 92.826 -3.842 -0.293 1.00 0.45 C ATOM 1354 C ILE A 89 91.853 -2.841 0.341 1.00 0.48 C ATOM 1355 O ILE A 89 92.153 -1.667 0.466 1.00 0.71 O ATOM 1356 CB ILE A 89 93.952 -3.114 -1.049 1.00 0.48 C ATOM 1357 CG1 ILE A 89 93.374 -2.289 -2.209 1.00 0.59 C ATOM 1358 CG2 ILE A 89 94.942 -4.141 -1.598 1.00 0.49 C ATOM 1359 CD1 ILE A 89 94.238 -1.044 -2.429 1.00 0.67 C ATOM 0 H ILE A 89 92.248 -4.409 -2.273 1.00 0.50 H new ATOM 0 HA ILE A 89 93.219 -4.439 0.530 1.00 0.45 H new ATOM 0 HB ILE A 89 94.461 -2.441 -0.359 1.00 0.48 H new ATOM 0 HG12 ILE A 89 93.345 -2.890 -3.118 1.00 0.59 H new ATOM 0 HG13 ILE A 89 92.347 -1.998 -1.986 1.00 0.59 H new ATOM 0 HG21 ILE A 89 95.740 -3.627 -2.134 1.00 0.49 H new ATOM 0 HG22 ILE A 89 95.368 -4.713 -0.773 1.00 0.49 H new ATOM 0 HG23 ILE A 89 94.425 -4.817 -2.279 1.00 0.49 H new ATOM 0 HD11 ILE A 89 93.829 -0.458 -3.252 1.00 0.67 H new ATOM 0 HD12 ILE A 89 94.244 -0.440 -1.521 1.00 0.67 H new ATOM 0 HD13 ILE A 89 95.257 -1.346 -2.671 1.00 0.67 H new ATOM 1371 N ALA A 90 90.702 -3.295 0.776 1.00 0.39 N ATOM 1372 CA ALA A 90 89.742 -2.363 1.432 1.00 0.41 C ATOM 1373 C ALA A 90 90.277 -2.035 2.828 1.00 0.38 C ATOM 1374 O ALA A 90 90.636 -0.909 3.115 1.00 0.43 O ATOM 1375 CB ALA A 90 88.413 -3.120 1.507 1.00 0.46 C ATOM 0 H ALA A 90 90.391 -4.264 0.704 1.00 0.39 H new ATOM 0 HA ALA A 90 89.612 -1.425 0.892 1.00 0.41 H new ATOM 0 HB1 ALA A 90 87.661 -2.489 1.981 1.00 0.46 H new ATOM 0 HB2 ALA A 90 88.086 -3.381 0.501 1.00 0.46 H new ATOM 0 HB3 ALA A 90 88.545 -4.029 2.093 1.00 0.46 H new ATOM 1381 N ASP A 91 90.376 -3.028 3.676 1.00 0.38 N ATOM 1382 CA ASP A 91 90.942 -2.804 5.040 1.00 0.40 C ATOM 1383 C ASP A 91 92.475 -2.868 4.959 1.00 0.36 C ATOM 1384 O ASP A 91 93.171 -2.324 5.795 1.00 0.38 O ATOM 1385 CB ASP A 91 90.400 -3.942 5.910 1.00 0.46 C ATOM 1386 CG ASP A 91 88.866 -3.935 5.889 1.00 1.05 C ATOM 1387 OD1 ASP A 91 88.286 -3.183 6.655 1.00 1.78 O ATOM 1388 OD2 ASP A 91 88.300 -4.684 5.109 1.00 1.54 O ATOM 0 H ASP A 91 90.088 -3.987 3.481 1.00 0.38 H new ATOM 0 HA ASP A 91 90.667 -1.834 5.453 1.00 0.40 H new ATOM 0 HB2 ASP A 91 90.772 -4.899 5.544 1.00 0.46 H new ATOM 0 HB3 ASP A 91 90.758 -3.830 6.933 1.00 0.46 H new ATOM 1393 N ALA A 92 93.000 -3.530 3.945 1.00 0.33 N ATOM 1394 CA ALA A 92 94.482 -3.636 3.780 1.00 0.32 C ATOM 1395 C ALA A 92 95.088 -2.243 3.589 1.00 0.30 C ATOM 1396 O ALA A 92 95.989 -1.850 4.307 1.00 0.34 O ATOM 1397 CB ALA A 92 94.681 -4.484 2.523 1.00 0.35 C ATOM 0 H ALA A 92 92.455 -4.002 3.223 1.00 0.33 H new ATOM 0 HA ALA A 92 94.966 -4.079 4.650 1.00 0.32 H new ATOM 0 HB1 ALA A 92 95.747 -4.608 2.333 1.00 0.35 H new ATOM 0 HB2 ALA A 92 94.222 -5.462 2.667 1.00 0.35 H new ATOM 0 HB3 ALA A 92 94.216 -3.987 1.671 1.00 0.35 H new ATOM 1403 N VAL A 93 94.587 -1.484 2.639 1.00 0.31 N ATOM 1404 CA VAL A 93 95.126 -0.104 2.424 1.00 0.34 C ATOM 1405 C VAL A 93 94.910 0.729 3.696 1.00 0.34 C ATOM 1406 O VAL A 93 95.674 1.626 3.998 1.00 0.38 O ATOM 1407 CB VAL A 93 94.334 0.468 1.233 1.00 0.41 C ATOM 1408 CG1 VAL A 93 93.056 1.172 1.711 1.00 0.45 C ATOM 1409 CG2 VAL A 93 95.209 1.472 0.478 1.00 0.48 C ATOM 0 H VAL A 93 93.834 -1.760 2.009 1.00 0.31 H new ATOM 0 HA VAL A 93 96.196 -0.095 2.215 1.00 0.34 H new ATOM 0 HB VAL A 93 94.053 -0.356 0.577 1.00 0.41 H new ATOM 0 HG11 VAL A 93 92.515 1.567 0.851 1.00 0.45 H new ATOM 0 HG12 VAL A 93 92.424 0.459 2.241 1.00 0.45 H new ATOM 0 HG13 VAL A 93 93.320 1.990 2.381 1.00 0.45 H new ATOM 0 HG21 VAL A 93 94.651 1.879 -0.366 1.00 0.48 H new ATOM 0 HG22 VAL A 93 95.494 2.282 1.149 1.00 0.48 H new ATOM 0 HG23 VAL A 93 96.105 0.971 0.113 1.00 0.48 H new ATOM 1419 N ALA A 94 93.875 0.417 4.447 1.00 0.35 N ATOM 1420 CA ALA A 94 93.596 1.163 5.711 1.00 0.40 C ATOM 1421 C ALA A 94 94.701 0.876 6.736 1.00 0.41 C ATOM 1422 O ALA A 94 95.098 1.745 7.488 1.00 0.50 O ATOM 1423 CB ALA A 94 92.245 0.639 6.207 1.00 0.44 C ATOM 0 H ALA A 94 93.211 -0.327 4.233 1.00 0.35 H new ATOM 0 HA ALA A 94 93.570 2.242 5.558 1.00 0.40 H new ATOM 0 HB1 ALA A 94 91.977 1.145 7.135 1.00 0.44 H new ATOM 0 HB2 ALA A 94 91.481 0.833 5.454 1.00 0.44 H new ATOM 0 HB3 ALA A 94 92.314 -0.434 6.386 1.00 0.44 H new ATOM 1429 N CYS A 95 95.217 -0.334 6.754 1.00 0.34 N ATOM 1430 CA CYS A 95 96.319 -0.663 7.712 1.00 0.37 C ATOM 1431 C CYS A 95 97.595 0.064 7.270 1.00 0.37 C ATOM 1432 O CYS A 95 98.299 0.642 8.077 1.00 0.44 O ATOM 1433 CB CYS A 95 96.503 -2.183 7.633 1.00 0.39 C ATOM 1434 SG CYS A 95 95.067 -3.017 8.361 1.00 0.45 S ATOM 0 H CYS A 95 94.923 -1.101 6.150 1.00 0.34 H new ATOM 0 HA CYS A 95 96.094 -0.353 8.733 1.00 0.37 H new ATOM 0 HB2 CYS A 95 96.625 -2.490 6.594 1.00 0.39 H new ATOM 0 HB3 CYS A 95 97.411 -2.476 8.160 1.00 0.39 H new ATOM 1439 N ALA A 96 97.878 0.057 5.984 1.00 0.34 N ATOM 1440 CA ALA A 96 99.089 0.769 5.463 1.00 0.38 C ATOM 1441 C ALA A 96 98.939 2.287 5.655 1.00 0.36 C ATOM 1442 O ALA A 96 99.920 3.002 5.715 1.00 0.46 O ATOM 1443 CB ALA A 96 99.154 0.422 3.974 1.00 0.45 C ATOM 0 H ALA A 96 97.318 -0.414 5.273 1.00 0.34 H new ATOM 0 HA ALA A 96 99.996 0.469 5.989 1.00 0.38 H new ATOM 0 HB1 ALA A 96 100.019 0.910 3.524 1.00 0.45 H new ATOM 0 HB2 ALA A 96 99.244 -0.658 3.856 1.00 0.45 H new ATOM 0 HB3 ALA A 96 98.245 0.766 3.480 1.00 0.45 H new ATOM 1449 N LYS A 97 97.723 2.784 5.765 1.00 0.35 N ATOM 1450 CA LYS A 97 97.529 4.252 5.973 1.00 0.39 C ATOM 1451 C LYS A 97 98.215 4.677 7.275 1.00 0.38 C ATOM 1452 O LYS A 97 98.884 5.688 7.324 1.00 0.44 O ATOM 1453 CB LYS A 97 96.016 4.453 6.073 1.00 0.48 C ATOM 1454 CG LYS A 97 95.407 4.505 4.670 1.00 1.01 C ATOM 1455 CD LYS A 97 94.743 5.864 4.455 1.00 1.89 C ATOM 1456 CE LYS A 97 93.323 5.834 5.029 1.00 2.51 C ATOM 1457 NZ LYS A 97 92.441 6.272 3.909 1.00 3.24 N ATOM 0 H LYS A 97 96.864 2.235 5.719 1.00 0.35 H new ATOM 0 HA LYS A 97 97.957 4.847 5.166 1.00 0.39 H new ATOM 0 HB2 LYS A 97 95.569 3.639 6.644 1.00 0.48 H new ATOM 0 HB3 LYS A 97 95.797 5.376 6.609 1.00 0.48 H new ATOM 0 HG2 LYS A 97 96.181 4.343 3.920 1.00 1.01 H new ATOM 0 HG3 LYS A 97 94.674 3.707 4.550 1.00 1.01 H new ATOM 0 HD2 LYS A 97 95.326 6.647 4.940 1.00 1.89 H new ATOM 0 HD3 LYS A 97 94.712 6.102 3.392 1.00 1.89 H new ATOM 0 HE2 LYS A 97 93.058 4.834 5.372 1.00 2.51 H new ATOM 0 HE3 LYS A 97 93.231 6.500 5.887 1.00 2.51 H new ATOM 0 HZ1 LYS A 97 91.455 6.023 4.126 1.00 3.24 H new ATOM 0 HZ2 LYS A 97 92.519 7.302 3.788 1.00 3.24 H new ATOM 0 HZ3 LYS A 97 92.733 5.797 3.031 1.00 3.24 H new ATOM 1471 N ARG A 98 98.065 3.896 8.323 1.00 0.37 N ATOM 1472 CA ARG A 98 98.720 4.232 9.629 1.00 0.43 C ATOM 1473 C ARG A 98 100.236 4.413 9.445 1.00 0.45 C ATOM 1474 O ARG A 98 100.861 5.178 10.153 1.00 0.54 O ATOM 1475 CB ARG A 98 98.433 3.038 10.542 1.00 0.47 C ATOM 1476 CG ARG A 98 98.561 3.470 12.004 1.00 0.59 C ATOM 1477 CD ARG A 98 97.169 3.547 12.638 1.00 1.61 C ATOM 1478 NE ARG A 98 97.413 3.813 14.086 1.00 2.23 N ATOM 1479 CZ ARG A 98 96.510 4.433 14.799 1.00 2.98 C ATOM 1480 NH1 ARG A 98 95.538 3.756 15.355 1.00 3.60 N ATOM 1481 NH2 ARG A 98 96.581 5.730 14.959 1.00 3.58 N ATOM 0 H ARG A 98 97.515 3.037 8.328 1.00 0.37 H new ATOM 0 HA ARG A 98 98.340 5.165 10.044 1.00 0.43 H new ATOM 0 HB2 ARG A 98 97.431 2.654 10.352 1.00 0.47 H new ATOM 0 HB3 ARG A 98 99.130 2.228 10.329 1.00 0.47 H new ATOM 0 HG2 ARG A 98 99.182 2.761 12.551 1.00 0.59 H new ATOM 0 HG3 ARG A 98 99.054 4.440 12.066 1.00 0.59 H new ATOM 0 HD2 ARG A 98 96.574 4.341 12.187 1.00 1.61 H new ATOM 0 HD3 ARG A 98 96.619 2.617 12.496 1.00 1.61 H new ATOM 0 HE ARG A 98 98.285 3.511 14.520 1.00 2.23 H new ATOM 0 HH11 ARG A 98 95.485 2.745 15.232 1.00 3.60 H new ATOM 0 HH12 ARG A 98 94.833 4.239 15.912 1.00 3.60 H new ATOM 0 HH21 ARG A 98 97.341 6.256 14.527 1.00 3.58 H new ATOM 0 HH22 ARG A 98 95.877 6.215 15.515 1.00 3.58 H new ATOM 1495 N VAL A 99 100.823 3.724 8.490 1.00 0.45 N ATOM 1496 CA VAL A 99 102.295 3.865 8.244 1.00 0.53 C ATOM 1497 C VAL A 99 102.603 5.288 7.748 1.00 0.52 C ATOM 1498 O VAL A 99 103.598 5.879 8.125 1.00 0.58 O ATOM 1499 CB VAL A 99 102.633 2.816 7.169 1.00 0.55 C ATOM 1500 CG1 VAL A 99 104.081 2.998 6.703 1.00 0.66 C ATOM 1501 CG2 VAL A 99 102.465 1.407 7.751 1.00 0.66 C ATOM 0 H VAL A 99 100.344 3.070 7.871 1.00 0.45 H new ATOM 0 HA VAL A 99 102.887 3.707 9.146 1.00 0.53 H new ATOM 0 HB VAL A 99 101.959 2.946 6.322 1.00 0.55 H new ATOM 0 HG11 VAL A 99 104.315 2.253 5.942 1.00 0.66 H new ATOM 0 HG12 VAL A 99 104.205 3.996 6.284 1.00 0.66 H new ATOM 0 HG13 VAL A 99 104.754 2.874 7.551 1.00 0.66 H new ATOM 0 HG21 VAL A 99 102.705 0.667 6.988 1.00 0.66 H new ATOM 0 HG22 VAL A 99 103.136 1.282 8.601 1.00 0.66 H new ATOM 0 HG23 VAL A 99 101.435 1.269 8.079 1.00 0.66 H new ATOM 1511 N VAL A 100 101.749 5.846 6.916 1.00 0.51 N ATOM 1512 CA VAL A 100 101.984 7.238 6.410 1.00 0.56 C ATOM 1513 C VAL A 100 101.226 8.276 7.268 1.00 0.58 C ATOM 1514 O VAL A 100 101.317 9.465 7.026 1.00 0.72 O ATOM 1515 CB VAL A 100 101.481 7.252 4.955 1.00 0.69 C ATOM 1516 CG1 VAL A 100 102.271 6.237 4.122 1.00 1.44 C ATOM 1517 CG2 VAL A 100 99.989 6.900 4.896 1.00 1.06 C ATOM 0 H VAL A 100 100.902 5.397 6.567 1.00 0.51 H new ATOM 0 HA VAL A 100 103.039 7.506 6.467 1.00 0.56 H new ATOM 0 HB VAL A 100 101.626 8.254 4.551 1.00 0.69 H new ATOM 0 HG11 VAL A 100 101.911 6.251 3.093 1.00 1.44 H new ATOM 0 HG12 VAL A 100 103.329 6.497 4.139 1.00 1.44 H new ATOM 0 HG13 VAL A 100 102.136 5.239 4.540 1.00 1.44 H new ATOM 0 HG21 VAL A 100 99.652 6.915 3.859 1.00 1.06 H new ATOM 0 HG22 VAL A 100 99.833 5.905 5.314 1.00 1.06 H new ATOM 0 HG23 VAL A 100 99.420 7.629 5.473 1.00 1.06 H new ATOM 1527 N ARG A 101 100.496 7.842 8.278 1.00 0.61 N ATOM 1528 CA ARG A 101 99.758 8.812 9.156 1.00 0.69 C ATOM 1529 C ARG A 101 100.736 9.508 10.106 1.00 0.78 C ATOM 1530 O ARG A 101 100.496 10.614 10.554 1.00 0.97 O ATOM 1531 CB ARG A 101 98.768 7.972 9.962 1.00 0.65 C ATOM 1532 CG ARG A 101 97.620 7.519 9.059 1.00 0.63 C ATOM 1533 CD ARG A 101 96.436 8.482 9.201 1.00 0.76 C ATOM 1534 NE ARG A 101 95.712 8.036 10.427 1.00 1.23 N ATOM 1535 CZ ARG A 101 94.404 8.048 10.457 1.00 1.68 C ATOM 1536 NH1 ARG A 101 93.768 9.126 10.839 1.00 2.27 N ATOM 1537 NH2 ARG A 101 93.732 6.981 10.106 1.00 2.35 N ATOM 0 H ARG A 101 100.381 6.860 8.529 1.00 0.61 H new ATOM 0 HA ARG A 101 99.256 9.582 8.570 1.00 0.69 H new ATOM 0 HB2 ARG A 101 99.274 7.105 10.386 1.00 0.65 H new ATOM 0 HB3 ARG A 101 98.378 8.554 10.797 1.00 0.65 H new ATOM 0 HG2 ARG A 101 97.952 7.487 8.021 1.00 0.63 H new ATOM 0 HG3 ARG A 101 97.312 6.508 9.326 1.00 0.63 H new ATOM 0 HD2 ARG A 101 96.777 9.513 9.298 1.00 0.76 H new ATOM 0 HD3 ARG A 101 95.789 8.442 8.325 1.00 0.76 H new ATOM 0 HE ARG A 101 96.237 7.721 11.243 1.00 1.23 H new ATOM 0 HH11 ARG A 101 94.292 9.957 11.113 1.00 2.27 H new ATOM 0 HH12 ARG A 101 92.748 9.135 10.862 1.00 2.27 H new ATOM 0 HH21 ARG A 101 94.228 6.141 9.809 1.00 2.35 H new ATOM 0 HH22 ARG A 101 92.712 6.990 10.129 1.00 2.35 H new ATOM 1551 N ASP A 102 101.838 8.860 10.412 1.00 0.73 N ATOM 1552 CA ASP A 102 102.855 9.467 11.333 1.00 0.92 C ATOM 1553 C ASP A 102 103.443 10.745 10.693 1.00 1.13 C ATOM 1554 O ASP A 102 103.028 11.137 9.617 1.00 1.50 O ATOM 1555 CB ASP A 102 103.939 8.386 11.503 1.00 0.99 C ATOM 1556 CG ASP A 102 103.303 7.034 11.857 1.00 1.61 C ATOM 1557 OD1 ASP A 102 102.747 6.925 12.939 1.00 2.32 O ATOM 1558 OD2 ASP A 102 103.388 6.132 11.042 1.00 2.17 O ATOM 0 H ASP A 102 102.077 7.932 10.061 1.00 0.73 H new ATOM 0 HA ASP A 102 102.430 9.759 12.293 1.00 0.92 H new ATOM 0 HB2 ASP A 102 104.515 8.293 10.582 1.00 0.99 H new ATOM 0 HB3 ASP A 102 104.636 8.682 12.287 1.00 0.99 H new ATOM 1563 N PRO A 103 104.389 11.367 11.369 1.00 1.30 N ATOM 1564 CA PRO A 103 105.001 12.612 10.834 1.00 1.58 C ATOM 1565 C PRO A 103 105.931 12.319 9.642 1.00 1.20 C ATOM 1566 O PRO A 103 106.330 13.225 8.933 1.00 1.64 O ATOM 1567 CB PRO A 103 105.770 13.179 12.024 1.00 2.26 C ATOM 1568 CG PRO A 103 106.050 12.009 12.910 1.00 2.33 C ATOM 1569 CD PRO A 103 104.971 10.983 12.663 1.00 1.71 C ATOM 0 HA PRO A 103 104.260 13.310 10.445 1.00 1.58 H new ATOM 0 HB2 PRO A 103 106.695 13.658 11.702 1.00 2.26 H new ATOM 0 HB3 PRO A 103 105.184 13.936 12.546 1.00 2.26 H new ATOM 0 HG2 PRO A 103 107.033 11.591 12.693 1.00 2.33 H new ATOM 0 HG3 PRO A 103 106.057 12.314 13.957 1.00 2.33 H new ATOM 0 HD2 PRO A 103 105.382 9.974 12.630 1.00 1.71 H new ATOM 0 HD3 PRO A 103 104.222 10.996 13.455 1.00 1.71 H new ATOM 1577 N GLN A 104 106.263 11.069 9.400 1.00 0.99 N ATOM 1578 CA GLN A 104 107.145 10.738 8.238 1.00 1.34 C ATOM 1579 C GLN A 104 106.305 10.701 6.953 1.00 1.45 C ATOM 1580 O GLN A 104 106.600 11.385 5.992 1.00 2.18 O ATOM 1581 CB GLN A 104 107.730 9.354 8.545 1.00 1.85 C ATOM 1582 CG GLN A 104 109.090 9.512 9.232 1.00 2.08 C ATOM 1583 CD GLN A 104 109.907 8.228 9.060 1.00 2.00 C ATOM 1584 OE1 GLN A 104 109.980 7.416 9.961 1.00 2.22 O ATOM 1585 NE2 GLN A 104 110.530 8.007 7.933 1.00 2.43 N ATOM 0 H GLN A 104 105.961 10.269 9.956 1.00 0.99 H new ATOM 0 HA GLN A 104 107.934 11.475 8.091 1.00 1.34 H new ATOM 0 HB2 GLN A 104 107.050 8.795 9.187 1.00 1.85 H new ATOM 0 HB3 GLN A 104 107.841 8.782 7.624 1.00 1.85 H new ATOM 0 HG2 GLN A 104 109.629 10.357 8.804 1.00 2.08 H new ATOM 0 HG3 GLN A 104 108.950 9.727 10.292 1.00 2.08 H new ATOM 0 HE21 GLN A 104 110.470 8.687 7.175 1.00 2.43 H new ATOM 0 HE22 GLN A 104 111.076 7.154 7.811 1.00 2.43 H new ATOM 1594 N GLY A 105 105.255 9.913 6.939 1.00 1.07 N ATOM 1595 CA GLY A 105 104.384 9.831 5.728 1.00 1.21 C ATOM 1596 C GLY A 105 104.846 8.679 4.834 1.00 0.97 C ATOM 1597 O GLY A 105 105.198 7.614 5.310 1.00 1.09 O ATOM 0 H GLY A 105 104.965 9.322 7.718 1.00 1.07 H new ATOM 0 HA2 GLY A 105 103.346 9.679 6.025 1.00 1.21 H new ATOM 0 HA3 GLY A 105 104.424 10.770 5.176 1.00 1.21 H new ATOM 1601 N ILE A 106 104.850 8.888 3.540 1.00 0.81 N ATOM 1602 CA ILE A 106 105.290 7.812 2.597 1.00 0.76 C ATOM 1603 C ILE A 106 106.819 7.885 2.356 1.00 0.65 C ATOM 1604 O ILE A 106 107.361 7.141 1.558 1.00 0.78 O ATOM 1605 CB ILE A 106 104.476 8.077 1.308 1.00 0.86 C ATOM 1606 CG1 ILE A 106 103.899 6.757 0.773 1.00 1.65 C ATOM 1607 CG2 ILE A 106 105.342 8.737 0.225 1.00 1.35 C ATOM 1608 CD1 ILE A 106 105.018 5.736 0.558 1.00 2.50 C ATOM 0 H ILE A 106 104.566 9.761 3.095 1.00 0.81 H new ATOM 0 HA ILE A 106 105.111 6.808 2.981 1.00 0.76 H new ATOM 0 HB ILE A 106 103.664 8.760 1.558 1.00 0.86 H new ATOM 0 HG12 ILE A 106 103.167 6.361 1.476 1.00 1.65 H new ATOM 0 HG13 ILE A 106 103.375 6.935 -0.166 1.00 1.65 H new ATOM 0 HG21 ILE A 106 104.740 8.910 -0.667 1.00 1.35 H new ATOM 0 HG22 ILE A 106 105.724 9.689 0.595 1.00 1.35 H new ATOM 0 HG23 ILE A 106 106.177 8.082 -0.022 1.00 1.35 H new ATOM 0 HD11 ILE A 106 104.594 4.806 0.179 1.00 2.50 H new ATOM 0 HD12 ILE A 106 105.735 6.128 -0.163 1.00 2.50 H new ATOM 0 HD13 ILE A 106 105.523 5.545 1.505 1.00 2.50 H new ATOM 1620 N ARG A 107 107.517 8.768 3.043 1.00 0.65 N ATOM 1621 CA ARG A 107 109.000 8.879 2.851 1.00 0.76 C ATOM 1622 C ARG A 107 109.768 7.938 3.803 1.00 0.79 C ATOM 1623 O ARG A 107 110.965 8.081 3.984 1.00 0.92 O ATOM 1624 CB ARG A 107 109.328 10.349 3.151 1.00 0.97 C ATOM 1625 CG ARG A 107 109.318 10.600 4.664 1.00 1.42 C ATOM 1626 CD ARG A 107 109.522 12.093 4.929 1.00 1.88 C ATOM 1627 NE ARG A 107 110.891 12.201 5.511 1.00 2.27 N ATOM 1628 CZ ARG A 107 111.716 13.119 5.081 1.00 2.51 C ATOM 1629 NH1 ARG A 107 111.725 14.302 5.639 1.00 2.90 N ATOM 1630 NH2 ARG A 107 112.531 12.855 4.091 1.00 3.02 N ATOM 0 H ARG A 107 107.121 9.414 3.726 1.00 0.65 H new ATOM 0 HA ARG A 107 109.297 8.586 1.844 1.00 0.76 H new ATOM 0 HB2 ARG A 107 110.306 10.601 2.740 1.00 0.97 H new ATOM 0 HB3 ARG A 107 108.600 10.998 2.663 1.00 0.97 H new ATOM 0 HG2 ARG A 107 108.373 10.268 5.093 1.00 1.42 H new ATOM 0 HG3 ARG A 107 110.107 10.022 5.146 1.00 1.42 H new ATOM 0 HD2 ARG A 107 109.438 12.672 4.009 1.00 1.88 H new ATOM 0 HD3 ARG A 107 108.770 12.478 5.617 1.00 1.88 H new ATOM 0 HE ARG A 107 111.184 11.557 6.246 1.00 2.27 H new ATOM 0 HH11 ARG A 107 111.089 14.507 6.409 1.00 2.90 H new ATOM 0 HH12 ARG A 107 112.369 15.019 5.304 1.00 2.90 H new ATOM 0 HH21 ARG A 107 112.522 11.933 3.655 1.00 3.02 H new ATOM 0 HH22 ARG A 107 113.175 13.572 3.755 1.00 3.02 H new ATOM 1644 N ALA A 108 109.099 6.979 4.409 1.00 0.84 N ATOM 1645 CA ALA A 108 109.800 6.038 5.342 1.00 0.99 C ATOM 1646 C ALA A 108 110.828 5.179 4.590 1.00 0.91 C ATOM 1647 O ALA A 108 111.816 4.751 5.158 1.00 1.08 O ATOM 1648 CB ALA A 108 108.696 5.155 5.929 1.00 1.12 C ATOM 0 H ALA A 108 108.099 6.810 4.296 1.00 0.84 H new ATOM 0 HA ALA A 108 110.350 6.576 6.114 1.00 0.99 H new ATOM 0 HB1 ALA A 108 109.134 4.438 6.624 1.00 1.12 H new ATOM 0 HB2 ALA A 108 107.974 5.778 6.457 1.00 1.12 H new ATOM 0 HB3 ALA A 108 108.192 4.619 5.124 1.00 1.12 H new ATOM 1654 N TRP A 109 110.606 4.926 3.320 1.00 0.79 N ATOM 1655 CA TRP A 109 111.573 4.098 2.537 1.00 0.82 C ATOM 1656 C TRP A 109 112.528 4.998 1.746 1.00 0.74 C ATOM 1657 O TRP A 109 112.152 6.062 1.285 1.00 0.74 O ATOM 1658 CB TRP A 109 110.709 3.268 1.582 1.00 0.92 C ATOM 1659 CG TRP A 109 110.646 1.853 2.061 1.00 1.27 C ATOM 1660 CD1 TRP A 109 111.409 0.840 1.591 1.00 2.13 C ATOM 1661 CD2 TRP A 109 109.789 1.277 3.089 1.00 1.49 C ATOM 1662 NE1 TRP A 109 111.076 -0.321 2.264 1.00 2.36 N ATOM 1663 CE2 TRP A 109 110.082 -0.103 3.197 1.00 1.82 C ATOM 1664 CE3 TRP A 109 108.796 1.811 3.930 1.00 2.25 C ATOM 1665 CZ2 TRP A 109 109.414 -0.924 4.107 1.00 2.10 C ATOM 1666 CZ3 TRP A 109 108.122 0.988 4.847 1.00 2.85 C ATOM 1667 CH2 TRP A 109 108.430 -0.377 4.935 1.00 2.53 C ATOM 0 H TRP A 109 109.797 5.258 2.795 1.00 0.79 H new ATOM 0 HA TRP A 109 112.188 3.470 3.182 1.00 0.82 H new ATOM 0 HB2 TRP A 109 109.705 3.688 1.526 1.00 0.92 H new ATOM 0 HB3 TRP A 109 111.126 3.303 0.575 1.00 0.92 H new ATOM 0 HD1 TRP A 109 112.157 0.924 0.816 1.00 2.13 H new ATOM 0 HE1 TRP A 109 111.511 -1.227 2.092 1.00 2.36 H new ATOM 0 HE3 TRP A 109 108.550 2.861 3.870 1.00 2.25 H new ATOM 0 HZ2 TRP A 109 109.656 -1.975 4.171 1.00 2.10 H new ATOM 0 HZ3 TRP A 109 107.362 1.409 5.488 1.00 2.85 H new ATOM 0 HH2 TRP A 109 107.908 -1.005 5.642 1.00 2.53 H new ATOM 1678 N VAL A 110 113.756 4.570 1.574 1.00 0.77 N ATOM 1679 CA VAL A 110 114.744 5.387 0.798 1.00 0.79 C ATOM 1680 C VAL A 110 114.362 5.395 -0.692 1.00 0.74 C ATOM 1681 O VAL A 110 114.675 6.327 -1.411 1.00 0.78 O ATOM 1682 CB VAL A 110 116.098 4.696 1.016 1.00 0.94 C ATOM 1683 CG1 VAL A 110 117.122 5.213 0.001 1.00 1.85 C ATOM 1684 CG2 VAL A 110 116.595 4.998 2.431 1.00 1.57 C ATOM 0 H VAL A 110 114.118 3.689 1.938 1.00 0.77 H new ATOM 0 HA VAL A 110 114.771 6.427 1.123 1.00 0.79 H new ATOM 0 HB VAL A 110 115.976 3.621 0.885 1.00 0.94 H new ATOM 0 HG11 VAL A 110 118.079 4.717 0.164 1.00 1.85 H new ATOM 0 HG12 VAL A 110 116.771 5.002 -1.009 1.00 1.85 H new ATOM 0 HG13 VAL A 110 117.246 6.289 0.125 1.00 1.85 H new ATOM 0 HG21 VAL A 110 117.556 4.510 2.591 1.00 1.57 H new ATOM 0 HG22 VAL A 110 116.710 6.075 2.554 1.00 1.57 H new ATOM 0 HG23 VAL A 110 115.873 4.625 3.158 1.00 1.57 H new ATOM 1694 N ALA A 111 113.680 4.367 -1.152 1.00 0.73 N ATOM 1695 CA ALA A 111 113.264 4.310 -2.588 1.00 0.76 C ATOM 1696 C ALA A 111 112.373 5.509 -2.943 1.00 0.71 C ATOM 1697 O ALA A 111 112.327 5.926 -4.080 1.00 0.76 O ATOM 1698 CB ALA A 111 112.478 3.004 -2.725 1.00 0.88 C ATOM 0 H ALA A 111 113.395 3.565 -0.590 1.00 0.73 H new ATOM 0 HA ALA A 111 114.122 4.346 -3.260 1.00 0.76 H new ATOM 0 HB1 ALA A 111 112.138 2.890 -3.754 1.00 0.88 H new ATOM 0 HB2 ALA A 111 113.120 2.164 -2.460 1.00 0.88 H new ATOM 0 HB3 ALA A 111 111.616 3.027 -2.058 1.00 0.88 H new ATOM 1704 N TRP A 112 111.672 6.069 -1.977 1.00 0.67 N ATOM 1705 CA TRP A 112 110.789 7.248 -2.260 1.00 0.71 C ATOM 1706 C TRP A 112 111.610 8.394 -2.869 1.00 0.69 C ATOM 1707 O TRP A 112 111.195 9.017 -3.828 1.00 0.71 O ATOM 1708 CB TRP A 112 110.213 7.658 -0.897 1.00 0.81 C ATOM 1709 CG TRP A 112 109.335 8.862 -1.056 1.00 1.49 C ATOM 1710 CD1 TRP A 112 109.446 10.004 -0.338 1.00 2.34 C ATOM 1711 CD2 TRP A 112 108.221 9.065 -1.975 1.00 2.18 C ATOM 1712 NE1 TRP A 112 108.472 10.892 -0.756 1.00 2.92 N ATOM 1713 CE2 TRP A 112 107.692 10.360 -1.764 1.00 2.83 C ATOM 1714 CE3 TRP A 112 107.625 8.259 -2.961 1.00 2.93 C ATOM 1715 CZ2 TRP A 112 106.611 10.837 -2.504 1.00 3.65 C ATOM 1716 CZ3 TRP A 112 106.537 8.737 -3.707 1.00 3.95 C ATOM 1717 CH2 TRP A 112 106.031 10.023 -3.479 1.00 4.15 C ATOM 0 H TRP A 112 111.675 5.758 -1.006 1.00 0.67 H new ATOM 0 HA TRP A 112 110.002 7.009 -2.975 1.00 0.71 H new ATOM 0 HB2 TRP A 112 109.641 6.834 -0.471 1.00 0.81 H new ATOM 0 HB3 TRP A 112 111.023 7.877 -0.201 1.00 0.81 H new ATOM 0 HD1 TRP A 112 110.176 10.191 0.435 1.00 2.34 H new ATOM 0 HE1 TRP A 112 108.345 11.826 -0.367 1.00 2.92 H new ATOM 0 HE3 TRP A 112 108.007 7.266 -3.145 1.00 2.93 H new ATOM 0 HZ2 TRP A 112 106.225 11.829 -2.324 1.00 3.65 H new ATOM 0 HZ3 TRP A 112 106.087 8.109 -4.462 1.00 3.95 H new ATOM 0 HH2 TRP A 112 105.193 10.385 -4.057 1.00 4.15 H new ATOM 1728 N ARG A 113 112.772 8.669 -2.324 1.00 0.75 N ATOM 1729 CA ARG A 113 113.625 9.770 -2.875 1.00 0.84 C ATOM 1730 C ARG A 113 114.283 9.337 -4.193 1.00 0.84 C ATOM 1731 O ARG A 113 114.520 10.148 -5.069 1.00 0.99 O ATOM 1732 CB ARG A 113 114.690 10.026 -1.803 1.00 1.01 C ATOM 1733 CG ARG A 113 114.105 10.917 -0.704 1.00 1.09 C ATOM 1734 CD ARG A 113 114.575 10.420 0.667 1.00 1.60 C ATOM 1735 NE ARG A 113 114.511 11.618 1.553 1.00 2.33 N ATOM 1736 CZ ARG A 113 115.544 11.949 2.284 1.00 3.07 C ATOM 1737 NH1 ARG A 113 116.591 12.503 1.725 1.00 3.71 N ATOM 1738 NH2 ARG A 113 115.529 11.726 3.572 1.00 3.62 N ATOM 0 H ARG A 113 113.166 8.178 -1.521 1.00 0.75 H new ATOM 0 HA ARG A 113 113.042 10.664 -3.095 1.00 0.84 H new ATOM 0 HB2 ARG A 113 115.028 9.081 -1.378 1.00 1.01 H new ATOM 0 HB3 ARG A 113 115.562 10.505 -2.249 1.00 1.01 H new ATOM 0 HG2 ARG A 113 114.419 11.950 -0.854 1.00 1.09 H new ATOM 0 HG3 ARG A 113 113.016 10.904 -0.753 1.00 1.09 H new ATOM 0 HD2 ARG A 113 113.934 9.620 1.038 1.00 1.60 H new ATOM 0 HD3 ARG A 113 115.588 10.020 0.616 1.00 1.60 H new ATOM 0 HE ARG A 113 113.661 12.180 1.589 1.00 2.33 H new ATOM 0 HH11 ARG A 113 116.601 12.676 0.720 1.00 3.71 H new ATOM 0 HH12 ARG A 113 117.397 12.761 2.295 1.00 3.71 H new ATOM 0 HH21 ARG A 113 114.713 11.295 4.005 1.00 3.62 H new ATOM 0 HH22 ARG A 113 116.334 11.983 4.144 1.00 3.62 H new ATOM 1752 N ASN A 114 114.583 8.067 -4.336 1.00 0.79 N ATOM 1753 CA ASN A 114 115.234 7.574 -5.593 1.00 0.89 C ATOM 1754 C ASN A 114 114.198 7.321 -6.706 1.00 0.82 C ATOM 1755 O ASN A 114 114.547 7.257 -7.871 1.00 0.98 O ATOM 1756 CB ASN A 114 115.919 6.263 -5.195 1.00 1.02 C ATOM 1757 CG ASN A 114 117.051 5.956 -6.178 1.00 1.29 C ATOM 1758 OD1 ASN A 114 118.158 6.430 -6.014 1.00 1.80 O ATOM 1759 ND2 ASN A 114 116.821 5.177 -7.202 1.00 1.78 N ATOM 0 H ASN A 114 114.404 7.349 -3.634 1.00 0.79 H new ATOM 0 HA ASN A 114 115.934 8.308 -5.993 1.00 0.89 H new ATOM 0 HB2 ASN A 114 116.314 6.340 -4.182 1.00 1.02 H new ATOM 0 HB3 ASN A 114 115.195 5.449 -5.193 1.00 1.02 H new ATOM 0 HD21 ASN A 114 117.570 4.968 -7.862 1.00 1.78 H new ATOM 0 HD22 ASN A 114 115.893 4.778 -7.341 1.00 1.78 H new ATOM 1766 N ARG A 115 112.938 7.168 -6.365 1.00 0.69 N ATOM 1767 CA ARG A 115 111.901 6.910 -7.413 1.00 0.70 C ATOM 1768 C ARG A 115 111.402 8.228 -8.017 1.00 0.72 C ATOM 1769 O ARG A 115 111.743 8.571 -9.133 1.00 0.90 O ATOM 1770 CB ARG A 115 110.759 6.179 -6.692 1.00 0.72 C ATOM 1771 CG ARG A 115 110.811 4.686 -7.021 1.00 1.07 C ATOM 1772 CD ARG A 115 110.312 4.462 -8.452 1.00 1.72 C ATOM 1773 NE ARG A 115 111.541 4.203 -9.258 1.00 2.28 N ATOM 1774 CZ ARG A 115 111.586 4.562 -10.514 1.00 2.91 C ATOM 1775 NH1 ARG A 115 110.960 3.853 -11.418 1.00 3.44 N ATOM 1776 NH2 ARG A 115 112.258 5.628 -10.865 1.00 3.51 N ATOM 0 H ARG A 115 112.586 7.211 -5.409 1.00 0.69 H new ATOM 0 HA ARG A 115 112.301 6.319 -8.237 1.00 0.70 H new ATOM 0 HB2 ARG A 115 110.843 6.327 -5.615 1.00 0.72 H new ATOM 0 HB3 ARG A 115 109.799 6.595 -6.997 1.00 0.72 H new ATOM 0 HG2 ARG A 115 111.831 4.315 -6.918 1.00 1.07 H new ATOM 0 HG3 ARG A 115 110.195 4.126 -6.318 1.00 1.07 H new ATOM 0 HD2 ARG A 115 109.623 3.619 -8.502 1.00 1.72 H new ATOM 0 HD3 ARG A 115 109.774 5.335 -8.823 1.00 1.72 H new ATOM 0 HE ARG A 115 112.346 3.746 -8.829 1.00 2.28 H new ATOM 0 HH11 ARG A 115 110.438 3.021 -11.142 1.00 3.44 H new ATOM 0 HH12 ARG A 115 110.994 4.132 -12.399 1.00 3.44 H new ATOM 0 HH21 ARG A 115 112.746 6.178 -10.159 1.00 3.51 H new ATOM 0 HH22 ARG A 115 112.294 5.909 -11.845 1.00 3.51 H new ATOM 1790 N CYS A 116 110.591 8.960 -7.291 1.00 0.67 N ATOM 1791 CA CYS A 116 110.058 10.254 -7.826 1.00 0.78 C ATOM 1792 C CYS A 116 110.269 11.411 -6.830 1.00 0.82 C ATOM 1793 O CYS A 116 110.173 12.565 -7.203 1.00 1.17 O ATOM 1794 CB CYS A 116 108.558 10.010 -8.072 1.00 0.99 C ATOM 1795 SG CYS A 116 107.837 9.036 -6.721 1.00 1.44 S ATOM 0 H CYS A 116 110.275 8.718 -6.352 1.00 0.67 H new ATOM 0 HA CYS A 116 110.579 10.547 -8.738 1.00 0.78 H new ATOM 0 HB2 CYS A 116 108.038 10.964 -8.157 1.00 0.99 H new ATOM 0 HB3 CYS A 116 108.420 9.487 -9.018 1.00 0.99 H new ATOM 1800 N GLN A 117 110.559 11.119 -5.573 1.00 0.68 N ATOM 1801 CA GLN A 117 110.777 12.202 -4.559 1.00 0.84 C ATOM 1802 C GLN A 117 109.594 13.186 -4.552 1.00 0.82 C ATOM 1803 O GLN A 117 109.779 14.388 -4.478 1.00 1.23 O ATOM 1804 CB GLN A 117 112.072 12.900 -4.991 1.00 1.14 C ATOM 1805 CG GLN A 117 112.878 13.290 -3.752 1.00 1.13 C ATOM 1806 CD GLN A 117 114.268 13.772 -4.175 1.00 1.38 C ATOM 1807 OE1 GLN A 117 114.428 14.897 -4.607 1.00 1.98 O ATOM 1808 NE2 GLN A 117 115.290 12.965 -4.070 1.00 1.71 N ATOM 0 H GLN A 117 110.653 10.170 -5.211 1.00 0.68 H new ATOM 0 HA GLN A 117 110.851 11.806 -3.546 1.00 0.84 H new ATOM 0 HB2 GLN A 117 112.660 12.238 -5.627 1.00 1.14 H new ATOM 0 HB3 GLN A 117 111.840 13.787 -5.581 1.00 1.14 H new ATOM 0 HG2 GLN A 117 112.361 14.076 -3.202 1.00 1.13 H new ATOM 0 HG3 GLN A 117 112.967 12.436 -3.080 1.00 1.13 H new ATOM 0 HE21 GLN A 117 115.159 12.020 -3.708 1.00 1.71 H new ATOM 0 HE22 GLN A 117 116.219 13.279 -4.350 1.00 1.71 H new ATOM 1817 N ASN A 118 108.381 12.676 -4.633 1.00 1.01 N ATOM 1818 CA ASN A 118 107.168 13.557 -4.638 1.00 1.32 C ATOM 1819 C ASN A 118 107.283 14.626 -5.741 1.00 1.16 C ATOM 1820 O ASN A 118 107.172 15.813 -5.488 1.00 1.66 O ATOM 1821 CB ASN A 118 107.129 14.195 -3.243 1.00 1.89 C ATOM 1822 CG ASN A 118 105.794 14.921 -3.039 1.00 2.58 C ATOM 1823 OD1 ASN A 118 104.744 14.385 -3.336 1.00 3.00 O ATOM 1824 ND2 ASN A 118 105.789 16.127 -2.539 1.00 3.28 N ATOM 0 H ASN A 118 108.182 11.678 -4.696 1.00 1.01 H new ATOM 0 HA ASN A 118 106.254 13.001 -4.847 1.00 1.32 H new ATOM 0 HB2 ASN A 118 107.256 13.428 -2.479 1.00 1.89 H new ATOM 0 HB3 ASN A 118 107.956 14.897 -3.131 1.00 1.89 H new ATOM 0 HD21 ASN A 118 104.906 16.617 -2.398 1.00 3.28 H new ATOM 0 HD22 ASN A 118 106.668 16.579 -2.289 1.00 3.28 H new ATOM 1831 N ARG A 119 107.498 14.206 -6.965 1.00 1.14 N ATOM 1832 CA ARG A 119 107.614 15.183 -8.094 1.00 1.57 C ATOM 1833 C ARG A 119 106.253 15.339 -8.790 1.00 1.35 C ATOM 1834 O ARG A 119 105.222 15.058 -8.205 1.00 1.38 O ATOM 1835 CB ARG A 119 108.652 14.568 -9.044 1.00 2.26 C ATOM 1836 CG ARG A 119 109.972 15.339 -8.935 1.00 2.71 C ATOM 1837 CD ARG A 119 109.817 16.723 -9.576 1.00 3.55 C ATOM 1838 NE ARG A 119 109.871 16.483 -11.047 1.00 4.10 N ATOM 1839 CZ ARG A 119 110.975 16.714 -11.708 1.00 4.87 C ATOM 1840 NH1 ARG A 119 111.332 17.945 -11.975 1.00 5.52 N ATOM 1841 NH2 ARG A 119 111.722 15.714 -12.101 1.00 5.37 N ATOM 0 H ARG A 119 107.598 13.226 -7.231 1.00 1.14 H new ATOM 0 HA ARG A 119 107.914 16.177 -7.762 1.00 1.57 H new ATOM 0 HB2 ARG A 119 108.811 13.519 -8.795 1.00 2.26 H new ATOM 0 HB3 ARG A 119 108.285 14.600 -10.070 1.00 2.26 H new ATOM 0 HG2 ARG A 119 110.258 15.442 -7.888 1.00 2.71 H new ATOM 0 HG3 ARG A 119 110.770 14.785 -9.431 1.00 2.71 H new ATOM 0 HD2 ARG A 119 108.874 17.187 -9.287 1.00 3.55 H new ATOM 0 HD3 ARG A 119 110.614 17.396 -9.258 1.00 3.55 H new ATOM 0 HE ARG A 119 109.046 16.138 -11.538 1.00 4.10 H new ATOM 0 HH11 ARG A 119 110.749 18.723 -11.667 1.00 5.52 H new ATOM 0 HH12 ARG A 119 112.193 18.126 -12.491 1.00 5.52 H new ATOM 0 HH21 ARG A 119 111.443 14.756 -11.892 1.00 5.37 H new ATOM 0 HH22 ARG A 119 112.584 15.893 -12.617 1.00 5.37 H new ATOM 1855 N ASP A 120 106.235 15.781 -10.028 1.00 1.38 N ATOM 1856 CA ASP A 120 104.934 15.943 -10.749 1.00 1.34 C ATOM 1857 C ASP A 120 104.366 14.562 -11.105 1.00 1.07 C ATOM 1858 O ASP A 120 104.582 14.047 -12.187 1.00 1.15 O ATOM 1859 CB ASP A 120 105.264 16.744 -12.015 1.00 1.73 C ATOM 1860 CG ASP A 120 103.989 17.408 -12.546 1.00 2.45 C ATOM 1861 OD1 ASP A 120 103.648 18.469 -12.052 1.00 3.03 O ATOM 1862 OD2 ASP A 120 103.376 16.842 -13.437 1.00 3.00 O ATOM 0 H ASP A 120 107.063 16.035 -10.566 1.00 1.38 H new ATOM 0 HA ASP A 120 104.184 16.453 -10.145 1.00 1.34 H new ATOM 0 HB2 ASP A 120 106.016 17.501 -11.793 1.00 1.73 H new ATOM 0 HB3 ASP A 120 105.688 16.087 -12.774 1.00 1.73 H new ATOM 1867 N VAL A 121 103.643 13.961 -10.193 1.00 0.91 N ATOM 1868 CA VAL A 121 103.053 12.608 -10.459 1.00 0.76 C ATOM 1869 C VAL A 121 101.539 12.709 -10.713 1.00 0.75 C ATOM 1870 O VAL A 121 100.846 11.708 -10.747 1.00 0.86 O ATOM 1871 CB VAL A 121 103.343 11.765 -9.204 1.00 0.81 C ATOM 1872 CG1 VAL A 121 104.845 11.491 -9.104 1.00 0.87 C ATOM 1873 CG2 VAL A 121 102.872 12.501 -7.941 1.00 0.98 C ATOM 0 H VAL A 121 103.434 14.348 -9.273 1.00 0.91 H new ATOM 0 HA VAL A 121 103.487 12.155 -11.351 1.00 0.76 H new ATOM 0 HB VAL A 121 102.802 10.822 -9.285 1.00 0.81 H new ATOM 0 HG11 VAL A 121 105.048 10.894 -8.215 1.00 0.87 H new ATOM 0 HG12 VAL A 121 105.175 10.947 -9.989 1.00 0.87 H new ATOM 0 HG13 VAL A 121 105.384 12.436 -9.037 1.00 0.87 H new ATOM 0 HG21 VAL A 121 103.085 11.891 -7.063 1.00 0.98 H new ATOM 0 HG22 VAL A 121 103.397 13.452 -7.857 1.00 0.98 H new ATOM 0 HG23 VAL A 121 101.799 12.683 -8.005 1.00 0.98 H new ATOM 1883 N ARG A 122 101.023 13.903 -10.908 1.00 0.85 N ATOM 1884 CA ARG A 122 99.556 14.058 -11.178 1.00 0.97 C ATOM 1885 C ARG A 122 99.162 13.345 -12.486 1.00 0.91 C ATOM 1886 O ARG A 122 98.004 13.039 -12.703 1.00 1.20 O ATOM 1887 CB ARG A 122 99.310 15.573 -11.284 1.00 1.20 C ATOM 1888 CG ARG A 122 100.182 16.184 -12.391 1.00 1.89 C ATOM 1889 CD ARG A 122 99.662 17.584 -12.739 1.00 2.22 C ATOM 1890 NE ARG A 122 100.567 18.525 -12.018 1.00 2.67 N ATOM 1891 CZ ARG A 122 100.100 19.277 -11.054 1.00 3.08 C ATOM 1892 NH1 ARG A 122 99.970 18.787 -9.846 1.00 3.70 N ATOM 1893 NH2 ARG A 122 99.764 20.518 -11.298 1.00 3.37 N ATOM 0 H ARG A 122 101.554 14.774 -10.892 1.00 0.85 H new ATOM 0 HA ARG A 122 98.953 13.610 -10.388 1.00 0.97 H new ATOM 0 HB2 ARG A 122 98.258 15.762 -11.496 1.00 1.20 H new ATOM 0 HB3 ARG A 122 99.534 16.051 -10.331 1.00 1.20 H new ATOM 0 HG2 ARG A 122 101.219 16.242 -12.061 1.00 1.89 H new ATOM 0 HG3 ARG A 122 100.164 15.548 -13.276 1.00 1.89 H new ATOM 0 HD2 ARG A 122 99.688 17.758 -13.815 1.00 2.22 H new ATOM 0 HD3 ARG A 122 98.627 17.711 -12.421 1.00 2.22 H new ATOM 0 HE ARG A 122 101.552 18.583 -12.277 1.00 2.67 H new ATOM 0 HH11 ARG A 122 100.233 17.820 -9.657 1.00 3.70 H new ATOM 0 HH12 ARG A 122 99.606 19.373 -9.094 1.00 3.70 H new ATOM 0 HH21 ARG A 122 99.866 20.898 -12.239 1.00 3.37 H new ATOM 0 HH22 ARG A 122 99.400 21.105 -10.547 1.00 3.37 H new ATOM 1907 N GLN A 123 100.117 13.077 -13.354 1.00 0.78 N ATOM 1908 CA GLN A 123 99.805 12.380 -14.645 1.00 0.89 C ATOM 1909 C GLN A 123 99.357 10.935 -14.386 1.00 0.84 C ATOM 1910 O GLN A 123 98.504 10.413 -15.080 1.00 0.95 O ATOM 1911 CB GLN A 123 101.116 12.392 -15.439 1.00 1.07 C ATOM 1912 CG GLN A 123 101.516 13.837 -15.755 1.00 1.56 C ATOM 1913 CD GLN A 123 103.021 13.905 -16.023 1.00 1.65 C ATOM 1914 OE1 GLN A 123 103.452 13.802 -17.154 1.00 2.07 O ATOM 1915 NE2 GLN A 123 103.845 14.074 -15.024 1.00 1.56 N ATOM 0 H GLN A 123 101.100 13.313 -13.221 1.00 0.78 H new ATOM 0 HA GLN A 123 98.995 12.873 -15.182 1.00 0.89 H new ATOM 0 HB2 GLN A 123 101.904 11.904 -14.866 1.00 1.07 H new ATOM 0 HB3 GLN A 123 100.998 11.827 -16.364 1.00 1.07 H new ATOM 0 HG2 GLN A 123 100.965 14.196 -16.624 1.00 1.56 H new ATOM 0 HG3 GLN A 123 101.255 14.488 -14.921 1.00 1.56 H new ATOM 0 HE21 GLN A 123 103.484 14.161 -14.074 1.00 1.56 H new ATOM 0 HE22 GLN A 123 104.850 14.119 -15.194 1.00 1.56 H new ATOM 1924 N TYR A 124 99.923 10.288 -13.391 1.00 0.80 N ATOM 1925 CA TYR A 124 99.528 8.873 -13.084 1.00 0.91 C ATOM 1926 C TYR A 124 98.076 8.814 -12.584 1.00 0.84 C ATOM 1927 O TYR A 124 97.410 7.804 -12.723 1.00 1.01 O ATOM 1928 CB TYR A 124 100.489 8.393 -11.984 1.00 1.05 C ATOM 1929 CG TYR A 124 101.919 8.480 -12.474 1.00 2.05 C ATOM 1930 CD1 TYR A 124 102.357 7.649 -13.513 1.00 2.86 C ATOM 1931 CD2 TYR A 124 102.804 9.394 -11.890 1.00 2.79 C ATOM 1932 CE1 TYR A 124 103.679 7.732 -13.966 1.00 3.88 C ATOM 1933 CE2 TYR A 124 104.125 9.477 -12.342 1.00 3.84 C ATOM 1934 CZ TYR A 124 104.563 8.647 -13.380 1.00 4.24 C ATOM 1935 OH TYR A 124 105.866 8.730 -13.828 1.00 5.35 O ATOM 0 H TYR A 124 100.640 10.678 -12.779 1.00 0.80 H new ATOM 0 HA TYR A 124 99.588 8.244 -13.972 1.00 0.91 H new ATOM 0 HB2 TYR A 124 100.365 9.003 -11.089 1.00 1.05 H new ATOM 0 HB3 TYR A 124 100.253 7.366 -11.706 1.00 1.05 H new ATOM 0 HD1 TYR A 124 101.675 6.944 -13.965 1.00 2.86 H new ATOM 0 HD2 TYR A 124 102.466 10.036 -11.090 1.00 2.79 H new ATOM 0 HE1 TYR A 124 104.017 7.091 -14.767 1.00 3.88 H new ATOM 0 HE2 TYR A 124 104.807 10.182 -11.890 1.00 3.84 H new ATOM 0 HH TYR A 124 106.345 9.415 -13.316 1.00 5.35 H new ATOM 1945 N VAL A 125 97.580 9.888 -12.010 1.00 0.78 N ATOM 1946 CA VAL A 125 96.168 9.896 -11.505 1.00 0.90 C ATOM 1947 C VAL A 125 95.308 10.891 -12.305 1.00 1.00 C ATOM 1948 O VAL A 125 94.252 11.300 -11.858 1.00 1.38 O ATOM 1949 CB VAL A 125 96.262 10.321 -10.030 1.00 1.06 C ATOM 1950 CG1 VAL A 125 97.139 9.330 -9.263 1.00 1.49 C ATOM 1951 CG2 VAL A 125 96.869 11.726 -9.914 1.00 1.62 C ATOM 0 H VAL A 125 98.093 10.759 -11.870 1.00 0.78 H new ATOM 0 HA VAL A 125 95.696 8.920 -11.614 1.00 0.90 H new ATOM 0 HB VAL A 125 95.257 10.331 -9.607 1.00 1.06 H new ATOM 0 HG11 VAL A 125 97.204 9.634 -8.218 1.00 1.49 H new ATOM 0 HG12 VAL A 125 96.701 8.334 -9.325 1.00 1.49 H new ATOM 0 HG13 VAL A 125 98.138 9.315 -9.699 1.00 1.49 H new ATOM 0 HG21 VAL A 125 96.928 12.011 -8.864 1.00 1.62 H new ATOM 0 HG22 VAL A 125 97.869 11.727 -10.347 1.00 1.62 H new ATOM 0 HG23 VAL A 125 96.241 12.439 -10.449 1.00 1.62 H new ATOM 1961 N GLN A 126 95.745 11.278 -13.484 1.00 1.08 N ATOM 1962 CA GLN A 126 94.947 12.240 -14.307 1.00 1.30 C ATOM 1963 C GLN A 126 93.850 11.486 -15.070 1.00 1.49 C ATOM 1964 O GLN A 126 94.068 10.989 -16.161 1.00 2.25 O ATOM 1965 CB GLN A 126 95.955 12.874 -15.276 1.00 1.49 C ATOM 1966 CG GLN A 126 96.011 14.386 -15.043 1.00 1.93 C ATOM 1967 CD GLN A 126 97.133 14.993 -15.891 1.00 2.08 C ATOM 1968 OE1 GLN A 126 96.923 15.342 -17.036 1.00 2.70 O ATOM 1969 NE2 GLN A 126 98.324 15.135 -15.375 1.00 1.99 N ATOM 0 H GLN A 126 96.619 10.968 -13.909 1.00 1.08 H new ATOM 0 HA GLN A 126 94.449 12.996 -13.700 1.00 1.30 H new ATOM 0 HB2 GLN A 126 96.942 12.436 -15.127 1.00 1.49 H new ATOM 0 HB3 GLN A 126 95.665 12.665 -16.306 1.00 1.49 H new ATOM 0 HG2 GLN A 126 95.056 14.841 -15.306 1.00 1.93 H new ATOM 0 HG3 GLN A 126 96.184 14.596 -13.988 1.00 1.93 H new ATOM 0 HE21 GLN A 126 98.502 14.843 -14.414 1.00 1.99 H new ATOM 0 HE22 GLN A 126 99.077 15.538 -15.933 1.00 1.99 H new ATOM 1978 N GLY A 127 92.677 11.384 -14.492 1.00 1.33 N ATOM 1979 CA GLY A 127 91.563 10.649 -15.165 1.00 1.63 C ATOM 1980 C GLY A 127 91.907 9.157 -15.231 1.00 1.41 C ATOM 1981 O GLY A 127 91.672 8.503 -16.230 1.00 1.67 O ATOM 0 H GLY A 127 92.444 11.780 -13.581 1.00 1.33 H new ATOM 0 HA2 GLY A 127 90.632 10.795 -14.617 1.00 1.63 H new ATOM 0 HA3 GLY A 127 91.407 11.043 -16.169 1.00 1.63 H new ATOM 1985 N CYS A 128 92.469 8.618 -14.172 1.00 1.15 N ATOM 1986 CA CYS A 128 92.841 7.170 -14.163 1.00 1.21 C ATOM 1987 C CYS A 128 91.708 6.334 -13.555 1.00 1.56 C ATOM 1988 O CYS A 128 91.215 5.407 -14.171 1.00 2.06 O ATOM 1989 CB CYS A 128 94.099 7.088 -13.293 1.00 1.16 C ATOM 1990 SG CYS A 128 94.744 5.397 -13.319 1.00 1.52 S ATOM 0 H CYS A 128 92.685 9.123 -13.313 1.00 1.15 H new ATOM 0 HA CYS A 128 93.015 6.783 -15.167 1.00 1.21 H new ATOM 0 HB2 CYS A 128 94.854 7.782 -13.661 1.00 1.16 H new ATOM 0 HB3 CYS A 128 93.866 7.384 -12.270 1.00 1.16 H new ATOM 1995 N GLY A 129 91.297 6.655 -12.353 1.00 1.66 N ATOM 1996 CA GLY A 129 90.198 5.885 -11.699 1.00 2.27 C ATOM 1997 C GLY A 129 89.456 6.791 -10.715 1.00 1.56 C ATOM 1998 O GLY A 129 89.316 6.470 -9.550 1.00 1.78 O ATOM 0 H GLY A 129 91.678 7.420 -11.796 1.00 1.66 H new ATOM 0 HA2 GLY A 129 89.507 5.505 -12.452 1.00 2.27 H new ATOM 0 HA3 GLY A 129 90.607 5.020 -11.176 1.00 2.27 H new ATOM 2002 N VAL A 130 88.981 7.922 -11.180 1.00 1.43 N ATOM 2003 CA VAL A 130 88.245 8.865 -10.280 1.00 1.64 C ATOM 2004 C VAL A 130 86.730 8.715 -10.489 1.00 2.23 C ATOM 2005 CB VAL A 130 88.720 10.269 -10.688 1.00 2.55 C ATOM 2006 CG1 VAL A 130 88.040 11.321 -9.806 1.00 3.23 C ATOM 2007 CG2 VAL A 130 90.240 10.371 -10.512 1.00 2.98 C ATOM 0 H VAL A 130 89.072 8.233 -12.147 1.00 1.43 H new ATOM 0 HA VAL A 130 88.440 8.670 -9.225 1.00 1.64 H new ATOM 0 HB VAL A 130 88.460 10.444 -11.732 1.00 2.55 H new ATOM 0 HG11 VAL A 130 88.379 12.315 -10.098 1.00 3.23 H new ATOM 0 HG12 VAL A 130 86.959 11.256 -9.929 1.00 3.23 H new ATOM 0 HG13 VAL A 130 88.297 11.142 -8.762 1.00 3.23 H new ATOM 0 HG21 VAL A 130 90.574 11.367 -10.802 1.00 2.98 H new ATOM 0 HG22 VAL A 130 90.498 10.191 -9.468 1.00 2.98 H new ATOM 0 HG23 VAL A 130 90.730 9.627 -11.140 1.00 2.98 H new TER 2017 VAL A 130 CONECT 102 1990 CONECT 487 1795 CONECT 1038 1245 CONECT 1188 1434 CONECT 1245 1038 CONECT 1434 1188 CONECT 1795 487 CONECT 1990 102 END