USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) HEADER RNA BINDING PROTEIN 26-OCT-99 1D9A TITLE SOLUTION STRUCTURE OF THE SECOND RNA-BINDING DOMAIN (RBD2) TITLE 2 OF HU ANTIGEN C (HUC) COMPND MOL_ID: 1; COMPND 2 MOLECULE: HU ANTIGEN C; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SECOND RNA-BINDING DOMAIN (RBD2); COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PK7 KEYWDS RNA-BINDING DOMAIN, RIKEN STRUCTURAL GENOMICS/PROTEOMICS KEYWDS 2 INITIATIVE, RSGI, STRUCTURAL GENOMICS, RNA BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR M.INOUE,Y.MUTO,H.SAKAMOTO,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 2 24-FEB-09 1D9A 1 VERSN REVDAT 1 07-APR-00 1D9A 0 JRNL AUTH M.INOUE,Y.MUTO,H.SAKAMOTO,S.YOKOYAMA JRNL TITL NMR STUDIES ON FUNCTIONAL STRUCTURES OF THE JRNL TITL 2 AU-RICH ELEMENT-BINDING DOMAINS OF HU ANTIGEN C. JRNL REF NUCLEIC ACIDS RES. V. 28 1743 2000 JRNL REFN ISSN 0305-1048 JRNL PMID 10734193 JRNL DOI 10.1093/NAR/28.8.1743 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1D9A COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-NOV-99. REMARK 100 THE RCSB ID CODE IS RCSB009904. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 3.6 REMARK 210 IONIC STRENGTH : 20 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM PROTEIN; 20 MM POTASSIUM REMARK 210 OXALATE BUFFER; 90% H2O; 10% REMARK 210 D2O; 2MM PROTEIN U-15N; 20 MM REMARK 210 POTASSIUM OXALATE BUFFER; 90% REMARK 210 H2O; 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR AND 15N-SEPARATED HETERONUCLEAR TECHNIQUES. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 2 63.03 -116.40 REMARK 500 ARG A 27 105.54 -43.00 REMARK 500 ILE A 29 -73.55 -88.43 REMARK 500 ARG A 32 152.58 175.55 REMARK 500 LEU A 35 102.49 -162.73 REMARK 500 GLN A 37 62.36 -150.08 REMARK 500 ALA A 38 -42.70 -176.52 REMARK 500 LEU A 63 -46.76 -133.61 REMARK 500 ASN A 64 136.07 -39.28 REMARK 500 LYS A 67 102.35 -160.81 REMARK 500 ALA A 71 105.84 -43.01 REMARK 500 ALA A 72 -26.54 171.82 REMARK 500 THR A 76 82.91 -159.72 REMARK 500 ASN A 82 118.97 59.72 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 27 0.31 SIDE_CHAIN REMARK 500 ARG A 32 0.29 SIDE_CHAIN REMARK 500 ARG A 43 0.21 SIDE_CHAIN REMARK 500 ARG A 49 0.25 SIDE_CHAIN REMARK 500 ARG A 53 0.26 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1D8Z RELATED DB: PDB REMARK 900 FIRST RNA-BINDING DOMAIN (RBD1) OF HUC REMARK 900 RELATED ID: TRT001000186.1 RELATED DB: TARGETDB DBREF 1D9A A 1 85 UNP Q60900 ELAV3_MOUSE 124 208 SEQRES 1 A 85 ASP ALA ASN LEU TYR VAL SER GLY LEU PRO LYS THR MET SEQRES 2 A 85 SER GLN LYS GLU MET GLU GLN LEU PHE SER GLN TYR GLY SEQRES 3 A 85 ARG ILE ILE THR SER ARG ILE LEU LEU ASP GLN ALA THR SEQRES 4 A 85 GLY VAL SER ARG GLY VAL GLY PHE ILE ARG PHE ASP LYS SEQRES 5 A 85 ARG ILE GLU ALA GLU GLU ALA ILE LYS GLY LEU ASN GLY SEQRES 6 A 85 GLN LYS PRO LEU GLY ALA ALA GLU PRO ILE THR VAL LYS SEQRES 7 A 85 PHE ALA ASN ASN PRO SER GLN HELIX 1 1 SER A 14 GLN A 24 1 11 HELIX 2 2 LYS A 52 ASN A 64 1 13 SHEET 1 A 4 ILE A 28 LEU A 34 0 SHEET 2 A 4 VAL A 45 PHE A 50 -1 N VAL A 45 O LEU A 34 SHEET 3 A 4 TYR A 5 SER A 7 -1 N VAL A 6 O GLY A 46 SHEET 4 A 4 THR A 76 LYS A 78 -1 O THR A 76 N SER A 7 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 3 ASN : amide:sc= -5.47! C(o=-6.7!,f=-10!) USER MOD Set 1.2: A 82 ASN : amide:sc= -1.2 K(o=-6.7,f=-5) USER MOD Single : A 1 ASP N :NH3+ 133:sc= 0.0461 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0473 USER MOD Single : A 7 SER OG : rot -89:sc= 0.724 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -107:sc= -0.338 (180deg=-1.62) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -3.32! C(o=-3.3!,f=-2.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -149:sc= -10.6! (180deg=-17.9!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 74:sc= 0.528 USER MOD Single : A 24 GLN : amide:sc= -0.353 K(o=-0.35,f=0.36) USER MOD Single : A 25 TYR OH : rot 91:sc= 0.208 USER MOD Single : A 30 THR OG1 : rot 41:sc= 0.0901 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0627 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 53:sc= 0.061 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.798 K(o=-0.8,f=-0.13) USER MOD Single : A 66 GLN : amide:sc= -1.03 K(o=-1,f=-0.041) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -30:sc= 0.613 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0367 K(o=-0.037,f=-1.8!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -4.751 10.697 9.818 1.00 1.90 N ATOM 2 CA ASP A 1 -3.692 10.346 8.831 1.00 1.08 C ATOM 3 C ASP A 1 -4.298 9.475 7.727 1.00 0.95 C ATOM 4 O ASP A 1 -5.204 8.700 7.962 1.00 1.10 O ATOM 5 CB ASP A 1 -2.573 9.578 9.537 1.00 1.41 C ATOM 6 CG ASP A 1 -1.593 10.572 10.165 1.00 2.05 C ATOM 7 OD1 ASP A 1 -1.858 11.761 10.092 1.00 2.67 O ATOM 8 OD2 ASP A 1 -0.596 10.127 10.709 1.00 2.66 O ATOM 0 H1 ASP A 1 -4.394 10.538 10.782 1.00 1.90 H new ATOM 0 H2 ASP A 1 -5.012 11.697 9.706 1.00 1.90 H new ATOM 0 H3 ASP A 1 -5.588 10.101 9.656 1.00 1.90 H new ATOM 0 HA ASP A 1 -3.283 11.256 8.392 1.00 1.08 H new ATOM 0 HB2 ASP A 1 -2.992 8.928 10.305 1.00 1.41 H new ATOM 0 HB3 ASP A 1 -2.052 8.937 8.826 1.00 1.41 H new ATOM 15 N ALA A 2 -3.808 9.598 6.523 1.00 0.82 N ATOM 16 CA ALA A 2 -4.362 8.780 5.407 1.00 0.75 C ATOM 17 C ALA A 2 -3.280 7.841 4.871 1.00 0.69 C ATOM 18 O ALA A 2 -2.879 7.929 3.728 1.00 0.67 O ATOM 19 CB ALA A 2 -4.833 9.705 4.283 1.00 0.77 C ATOM 0 H ALA A 2 -3.049 10.229 6.265 1.00 0.82 H new ATOM 0 HA ALA A 2 -5.203 8.192 5.774 1.00 0.75 H new ATOM 0 HB1 ALA A 2 -5.238 9.108 3.466 1.00 0.77 H new ATOM 0 HB2 ALA A 2 -5.606 10.374 4.662 1.00 0.77 H new ATOM 0 HB3 ALA A 2 -3.991 10.293 3.919 1.00 0.77 H new ATOM 25 N ASN A 3 -2.806 6.939 5.685 1.00 0.72 N ATOM 26 CA ASN A 3 -1.754 5.995 5.216 1.00 0.69 C ATOM 27 C ASN A 3 -2.419 4.795 4.541 1.00 0.64 C ATOM 28 O ASN A 3 -3.615 4.605 4.634 1.00 0.67 O ATOM 29 CB ASN A 3 -0.926 5.520 6.412 1.00 0.79 C ATOM 30 CG ASN A 3 -1.812 4.714 7.362 1.00 0.89 C ATOM 31 OD1 ASN A 3 -2.498 3.801 6.946 1.00 1.42 O ATOM 32 ND2 ASN A 3 -1.827 5.014 8.632 1.00 1.30 N ATOM 0 H ASN A 3 -3.101 6.815 6.653 1.00 0.72 H new ATOM 0 HA ASN A 3 -1.100 6.497 4.503 1.00 0.69 H new ATOM 0 HB2 ASN A 3 -0.092 4.908 6.069 1.00 0.79 H new ATOM 0 HB3 ASN A 3 -0.500 6.376 6.935 1.00 0.79 H new ATOM 0 HD21 ASN A 3 -2.414 4.482 9.275 1.00 1.30 H new ATOM 0 HD22 ASN A 3 -1.252 5.780 8.982 1.00 1.30 H new ATOM 39 N LEU A 4 -1.658 3.987 3.857 1.00 0.61 N ATOM 40 CA LEU A 4 -2.258 2.808 3.173 1.00 0.59 C ATOM 41 C LEU A 4 -1.400 1.567 3.433 1.00 0.63 C ATOM 42 O LEU A 4 -0.226 1.662 3.734 1.00 0.68 O ATOM 43 CB LEU A 4 -2.318 3.075 1.672 1.00 0.50 C ATOM 44 CG LEU A 4 -3.384 4.133 1.376 1.00 0.51 C ATOM 45 CD1 LEU A 4 -3.597 4.228 -0.135 1.00 0.51 C ATOM 46 CD2 LEU A 4 -4.702 3.741 2.050 1.00 0.58 C ATOM 0 H LEU A 4 -0.650 4.091 3.742 1.00 0.61 H new ATOM 0 HA LEU A 4 -3.263 2.638 3.559 1.00 0.59 H new ATOM 0 HB2 LEU A 4 -1.346 3.415 1.315 1.00 0.50 H new ATOM 0 HB3 LEU A 4 -2.549 2.153 1.138 1.00 0.50 H new ATOM 0 HG LEU A 4 -3.053 5.097 1.762 1.00 0.51 H new ATOM 0 HD11 LEU A 4 -4.356 4.981 -0.349 1.00 0.51 H new ATOM 0 HD12 LEU A 4 -2.661 4.509 -0.617 1.00 0.51 H new ATOM 0 HD13 LEU A 4 -3.926 3.262 -0.517 1.00 0.51 H new ATOM 0 HD21 LEU A 4 -5.458 4.496 1.837 1.00 0.58 H new ATOM 0 HD22 LEU A 4 -5.034 2.777 1.666 1.00 0.58 H new ATOM 0 HD23 LEU A 4 -4.553 3.671 3.127 1.00 0.58 H new ATOM 58 N TYR A 5 -1.982 0.404 3.316 1.00 0.67 N ATOM 59 CA TYR A 5 -1.214 -0.852 3.554 1.00 0.74 C ATOM 60 C TYR A 5 -1.601 -1.879 2.483 1.00 0.74 C ATOM 61 O TYR A 5 -2.574 -2.592 2.610 1.00 0.85 O ATOM 62 CB TYR A 5 -1.554 -1.379 4.956 1.00 0.88 C ATOM 63 CG TYR A 5 -1.098 -2.810 5.126 1.00 0.98 C ATOM 64 CD1 TYR A 5 -1.938 -3.867 4.752 1.00 1.40 C ATOM 65 CD2 TYR A 5 0.159 -3.080 5.681 1.00 1.73 C ATOM 66 CE1 TYR A 5 -1.518 -5.191 4.928 1.00 1.52 C ATOM 67 CE2 TYR A 5 0.576 -4.405 5.860 1.00 1.84 C ATOM 68 CZ TYR A 5 -0.262 -5.460 5.482 1.00 1.29 C ATOM 69 OH TYR A 5 0.150 -6.765 5.659 1.00 1.48 O ATOM 0 H TYR A 5 -2.961 0.269 3.065 1.00 0.67 H new ATOM 0 HA TYR A 5 -0.141 -0.667 3.495 1.00 0.74 H new ATOM 0 HB2 TYR A 5 -1.078 -0.751 5.709 1.00 0.88 H new ATOM 0 HB3 TYR A 5 -2.630 -1.315 5.121 1.00 0.88 H new ATOM 0 HD1 TYR A 5 -2.910 -3.661 4.328 1.00 1.40 H new ATOM 0 HD2 TYR A 5 0.807 -2.266 5.971 1.00 1.73 H new ATOM 0 HE1 TYR A 5 -2.164 -6.005 4.636 1.00 1.52 H new ATOM 0 HE2 TYR A 5 1.545 -4.613 6.290 1.00 1.84 H new ATOM 0 HH TYR A 5 1.047 -6.774 6.054 1.00 1.48 H new ATOM 79 N VAL A 6 -0.850 -1.943 1.416 1.00 0.72 N ATOM 80 CA VAL A 6 -1.176 -2.908 0.327 1.00 0.75 C ATOM 81 C VAL A 6 -0.249 -4.117 0.420 1.00 0.84 C ATOM 82 O VAL A 6 0.905 -4.059 0.047 1.00 0.99 O ATOM 83 CB VAL A 6 -0.990 -2.224 -1.029 1.00 0.68 C ATOM 84 CG1 VAL A 6 -1.774 -2.987 -2.098 1.00 0.76 C ATOM 85 CG2 VAL A 6 -1.504 -0.784 -0.948 1.00 0.60 C ATOM 0 H VAL A 6 -0.024 -1.368 1.252 1.00 0.72 H new ATOM 0 HA VAL A 6 -2.210 -3.238 0.431 1.00 0.75 H new ATOM 0 HB VAL A 6 0.068 -2.218 -1.291 1.00 0.68 H new ATOM 0 HG11 VAL A 6 -1.641 -2.500 -3.064 1.00 0.76 H new ATOM 0 HG12 VAL A 6 -1.408 -4.012 -2.156 1.00 0.76 H new ATOM 0 HG13 VAL A 6 -2.832 -2.994 -1.837 1.00 0.76 H new ATOM 0 HG21 VAL A 6 -1.372 -0.296 -1.914 1.00 0.60 H new ATOM 0 HG22 VAL A 6 -2.562 -0.790 -0.686 1.00 0.60 H new ATOM 0 HG23 VAL A 6 -0.944 -0.240 -0.187 1.00 0.60 H new ATOM 95 N SER A 7 -0.746 -5.215 0.917 1.00 0.84 N ATOM 96 CA SER A 7 0.107 -6.428 1.039 1.00 0.93 C ATOM 97 C SER A 7 -0.215 -7.399 -0.098 1.00 0.96 C ATOM 98 O SER A 7 -1.127 -7.185 -0.875 1.00 0.92 O ATOM 99 CB SER A 7 -0.166 -7.105 2.383 1.00 1.04 C ATOM 100 OG SER A 7 -1.568 -7.140 2.614 1.00 1.09 O ATOM 0 H SER A 7 -1.706 -5.324 1.244 1.00 0.84 H new ATOM 0 HA SER A 7 1.157 -6.142 0.981 1.00 0.93 H new ATOM 0 HB2 SER A 7 0.240 -8.117 2.383 1.00 1.04 H new ATOM 0 HB3 SER A 7 0.333 -6.562 3.185 1.00 1.04 H new ATOM 0 HG SER A 7 -1.844 -6.322 3.078 1.00 1.09 H new ATOM 106 N GLY A 8 0.531 -8.464 -0.201 1.00 1.10 N ATOM 107 CA GLY A 8 0.277 -9.454 -1.285 1.00 1.17 C ATOM 108 C GLY A 8 0.832 -8.919 -2.606 1.00 1.13 C ATOM 109 O GLY A 8 0.317 -9.205 -3.669 1.00 1.16 O ATOM 0 H GLY A 8 1.307 -8.692 0.420 1.00 1.10 H new ATOM 0 HA2 GLY A 8 0.748 -10.406 -1.040 1.00 1.17 H new ATOM 0 HA3 GLY A 8 -0.793 -9.642 -1.377 1.00 1.17 H new ATOM 113 N LEU A 9 1.882 -8.145 -2.548 1.00 1.09 N ATOM 114 CA LEU A 9 2.472 -7.592 -3.799 1.00 1.07 C ATOM 115 C LEU A 9 3.533 -8.555 -4.337 1.00 1.15 C ATOM 116 O LEU A 9 4.108 -9.323 -3.591 1.00 1.24 O ATOM 117 CB LEU A 9 3.133 -6.243 -3.506 1.00 1.01 C ATOM 118 CG LEU A 9 2.225 -5.399 -2.612 1.00 0.99 C ATOM 119 CD1 LEU A 9 3.009 -4.192 -2.091 1.00 1.09 C ATOM 120 CD2 LEU A 9 1.023 -4.912 -3.425 1.00 1.05 C ATOM 0 H LEU A 9 2.356 -7.872 -1.687 1.00 1.09 H new ATOM 0 HA LEU A 9 1.680 -7.463 -4.537 1.00 1.07 H new ATOM 0 HB2 LEU A 9 4.095 -6.399 -3.018 1.00 1.01 H new ATOM 0 HB3 LEU A 9 3.331 -5.715 -4.439 1.00 1.01 H new ATOM 0 HG LEU A 9 1.877 -6.000 -1.772 1.00 0.99 H new ATOM 0 HD11 LEU A 9 2.365 -3.587 -1.453 1.00 1.09 H new ATOM 0 HD12 LEU A 9 3.868 -4.537 -1.516 1.00 1.09 H new ATOM 0 HD13 LEU A 9 3.353 -3.591 -2.933 1.00 1.09 H new ATOM 0 HD21 LEU A 9 0.374 -4.310 -2.789 1.00 1.05 H new ATOM 0 HD22 LEU A 9 1.371 -4.309 -4.263 1.00 1.05 H new ATOM 0 HD23 LEU A 9 0.467 -5.770 -3.802 1.00 1.05 H new ATOM 132 N PRO A 10 3.770 -8.471 -5.621 1.00 1.18 N ATOM 133 CA PRO A 10 4.770 -9.309 -6.300 1.00 1.31 C ATOM 134 C PRO A 10 6.177 -8.766 -6.031 1.00 1.30 C ATOM 135 O PRO A 10 6.341 -7.698 -5.476 1.00 1.18 O ATOM 136 CB PRO A 10 4.407 -9.174 -7.782 1.00 1.38 C ATOM 137 CG PRO A 10 3.611 -7.854 -7.915 1.00 1.26 C ATOM 138 CD PRO A 10 3.059 -7.532 -6.514 1.00 1.14 C ATOM 0 HA PRO A 10 4.768 -10.345 -5.962 1.00 1.31 H new ATOM 0 HB2 PRO A 10 5.304 -9.152 -8.402 1.00 1.38 H new ATOM 0 HB3 PRO A 10 3.810 -10.023 -8.115 1.00 1.38 H new ATOM 0 HG2 PRO A 10 4.252 -7.049 -8.273 1.00 1.26 H new ATOM 0 HG3 PRO A 10 2.801 -7.961 -8.636 1.00 1.26 H new ATOM 0 HD2 PRO A 10 3.253 -6.495 -6.238 1.00 1.14 H new ATOM 0 HD3 PRO A 10 1.980 -7.678 -6.468 1.00 1.14 H new ATOM 146 N LYS A 11 7.190 -9.489 -6.419 1.00 1.47 N ATOM 147 CA LYS A 11 8.581 -9.006 -6.183 1.00 1.52 C ATOM 148 C LYS A 11 8.895 -7.862 -7.148 1.00 1.45 C ATOM 149 O LYS A 11 9.827 -7.107 -6.949 1.00 1.48 O ATOM 150 CB LYS A 11 9.567 -10.153 -6.413 1.00 1.76 C ATOM 151 CG LYS A 11 10.522 -10.255 -5.221 1.00 2.38 C ATOM 152 CD LYS A 11 10.757 -11.728 -4.878 1.00 2.86 C ATOM 153 CE LYS A 11 12.162 -11.899 -4.297 1.00 3.45 C ATOM 154 NZ LYS A 11 13.121 -12.208 -5.396 1.00 3.97 N ATOM 0 H LYS A 11 7.116 -10.392 -6.888 1.00 1.47 H new ATOM 0 HA LYS A 11 8.672 -8.650 -5.157 1.00 1.52 H new ATOM 0 HB2 LYS A 11 9.026 -11.091 -6.540 1.00 1.76 H new ATOM 0 HB3 LYS A 11 10.131 -9.983 -7.330 1.00 1.76 H new ATOM 0 HG2 LYS A 11 11.469 -9.770 -5.458 1.00 2.38 H new ATOM 0 HG3 LYS A 11 10.103 -9.733 -4.361 1.00 2.38 H new ATOM 0 HD2 LYS A 11 10.011 -12.069 -4.160 1.00 2.86 H new ATOM 0 HD3 LYS A 11 10.644 -12.343 -5.771 1.00 2.86 H new ATOM 0 HE2 LYS A 11 12.466 -10.989 -3.780 1.00 3.45 H new ATOM 0 HE3 LYS A 11 12.167 -12.702 -3.560 1.00 3.45 H new ATOM 0 HZ1 LYS A 11 14.076 -12.324 -5.001 1.00 3.97 H new ATOM 0 HZ2 LYS A 11 12.833 -13.087 -5.871 1.00 3.97 H new ATOM 0 HZ3 LYS A 11 13.124 -11.428 -6.084 1.00 3.97 H new ATOM 168 N THR A 12 8.125 -7.725 -8.192 1.00 1.41 N ATOM 169 CA THR A 12 8.381 -6.628 -9.167 1.00 1.39 C ATOM 170 C THR A 12 7.818 -5.317 -8.618 1.00 1.23 C ATOM 171 O THR A 12 8.027 -4.259 -9.177 1.00 1.25 O ATOM 172 CB THR A 12 7.693 -6.956 -10.493 1.00 1.47 C ATOM 173 OG1 THR A 12 6.285 -6.967 -10.299 1.00 1.38 O ATOM 174 CG2 THR A 12 8.152 -8.328 -10.986 1.00 1.72 C ATOM 0 H THR A 12 7.330 -8.325 -8.412 1.00 1.41 H new ATOM 0 HA THR A 12 9.455 -6.527 -9.326 1.00 1.39 H new ATOM 0 HB THR A 12 7.955 -6.202 -11.236 1.00 1.47 H new ATOM 0 HG1 THR A 12 5.840 -7.175 -11.147 1.00 1.38 H new ATOM 0 HG21 THR A 12 7.660 -8.558 -11.931 1.00 1.72 H new ATOM 0 HG22 THR A 12 9.232 -8.319 -11.132 1.00 1.72 H new ATOM 0 HG23 THR A 12 7.892 -9.086 -10.247 1.00 1.72 H new ATOM 182 N MET A 13 7.104 -5.376 -7.528 1.00 1.11 N ATOM 183 CA MET A 13 6.527 -4.131 -6.950 1.00 0.99 C ATOM 184 C MET A 13 7.653 -3.173 -6.560 1.00 1.07 C ATOM 185 O MET A 13 8.316 -3.350 -5.557 1.00 1.33 O ATOM 186 CB MET A 13 5.694 -4.482 -5.717 1.00 1.03 C ATOM 187 CG MET A 13 4.530 -3.496 -5.595 1.00 1.18 C ATOM 188 SD MET A 13 3.169 -4.033 -6.661 1.00 1.38 S ATOM 189 CE MET A 13 3.248 -2.666 -7.845 1.00 1.09 C ATOM 0 H MET A 13 6.896 -6.232 -7.013 1.00 1.11 H new ATOM 0 HA MET A 13 5.890 -3.648 -7.691 1.00 0.99 H new ATOM 0 HB2 MET A 13 5.315 -5.501 -5.798 1.00 1.03 H new ATOM 0 HB3 MET A 13 6.314 -4.443 -4.822 1.00 1.03 H new ATOM 0 HG2 MET A 13 4.194 -3.440 -4.559 1.00 1.18 H new ATOM 0 HG3 MET A 13 4.856 -2.495 -5.879 1.00 1.18 H new ATOM 0 HE1 MET A 13 2.402 -1.998 -7.686 1.00 1.09 H new ATOM 0 HE2 MET A 13 4.177 -2.115 -7.703 1.00 1.09 H new ATOM 0 HE3 MET A 13 3.213 -3.061 -8.860 1.00 1.09 H new ATOM 199 N SER A 14 7.868 -2.152 -7.347 1.00 0.97 N ATOM 200 CA SER A 14 8.943 -1.171 -7.027 1.00 1.10 C ATOM 201 C SER A 14 8.351 -0.042 -6.184 1.00 1.05 C ATOM 202 O SER A 14 7.166 0.223 -6.233 1.00 1.13 O ATOM 203 CB SER A 14 9.514 -0.594 -8.324 1.00 1.26 C ATOM 204 OG SER A 14 10.934 -0.642 -8.275 1.00 1.89 O ATOM 0 H SER A 14 7.343 -1.956 -8.199 1.00 0.97 H new ATOM 0 HA SER A 14 9.740 -1.667 -6.473 1.00 1.10 H new ATOM 0 HB2 SER A 14 9.149 -1.162 -9.180 1.00 1.26 H new ATOM 0 HB3 SER A 14 9.178 0.434 -8.457 1.00 1.26 H new ATOM 0 HG SER A 14 11.303 -0.275 -9.105 1.00 1.89 H new ATOM 210 N GLN A 15 9.159 0.623 -5.407 1.00 0.94 N ATOM 211 CA GLN A 15 8.629 1.729 -4.561 1.00 0.92 C ATOM 212 C GLN A 15 7.974 2.786 -5.447 1.00 0.88 C ATOM 213 O GLN A 15 6.818 3.117 -5.277 1.00 0.80 O ATOM 214 CB GLN A 15 9.772 2.360 -3.763 1.00 1.07 C ATOM 215 CG GLN A 15 10.551 1.263 -3.033 1.00 1.75 C ATOM 216 CD GLN A 15 11.406 1.888 -1.929 1.00 2.22 C ATOM 217 OE1 GLN A 15 11.708 1.246 -0.943 1.00 2.52 O ATOM 218 NE2 GLN A 15 11.812 3.121 -2.054 1.00 2.88 N ATOM 0 H GLN A 15 10.160 0.450 -5.321 1.00 0.94 H new ATOM 0 HA GLN A 15 7.886 1.330 -3.870 1.00 0.92 H new ATOM 0 HB2 GLN A 15 10.436 2.909 -4.431 1.00 1.07 H new ATOM 0 HB3 GLN A 15 9.376 3.078 -3.045 1.00 1.07 H new ATOM 0 HG2 GLN A 15 9.861 0.536 -2.605 1.00 1.75 H new ATOM 0 HG3 GLN A 15 11.185 0.724 -3.737 1.00 1.75 H new ATOM 0 HE21 GLN A 15 11.558 3.660 -2.882 1.00 2.88 H new ATOM 0 HE22 GLN A 15 12.383 3.546 -1.324 1.00 2.88 H new ATOM 227 N LYS A 16 8.694 3.322 -6.394 1.00 0.98 N ATOM 228 CA LYS A 16 8.086 4.354 -7.277 1.00 1.00 C ATOM 229 C LYS A 16 7.016 3.702 -8.139 1.00 0.93 C ATOM 230 O LYS A 16 6.054 4.331 -8.519 1.00 0.90 O ATOM 231 CB LYS A 16 9.159 4.985 -8.167 1.00 1.18 C ATOM 232 CG LYS A 16 8.697 6.375 -8.610 1.00 1.58 C ATOM 233 CD LYS A 16 9.651 7.433 -8.050 1.00 1.95 C ATOM 234 CE LYS A 16 9.602 8.684 -8.928 1.00 2.54 C ATOM 235 NZ LYS A 16 10.930 8.888 -9.573 1.00 3.35 N ATOM 0 H LYS A 16 9.668 3.092 -6.593 1.00 0.98 H new ATOM 0 HA LYS A 16 7.638 5.137 -6.665 1.00 1.00 H new ATOM 0 HB2 LYS A 16 10.101 5.059 -7.624 1.00 1.18 H new ATOM 0 HB3 LYS A 16 9.342 4.355 -9.038 1.00 1.18 H new ATOM 0 HG2 LYS A 16 8.672 6.432 -9.698 1.00 1.58 H new ATOM 0 HG3 LYS A 16 7.683 6.562 -8.258 1.00 1.58 H new ATOM 0 HD2 LYS A 16 9.372 7.684 -7.027 1.00 1.95 H new ATOM 0 HD3 LYS A 16 10.667 7.040 -8.016 1.00 1.95 H new ATOM 0 HE2 LYS A 16 8.828 8.578 -9.689 1.00 2.54 H new ATOM 0 HE3 LYS A 16 9.340 9.554 -8.326 1.00 2.54 H new ATOM 0 HZ1 LYS A 16 10.899 9.739 -10.171 1.00 3.35 H new ATOM 0 HZ2 LYS A 16 11.658 9.007 -8.839 1.00 3.35 H new ATOM 0 HZ3 LYS A 16 11.162 8.061 -10.160 1.00 3.35 H new ATOM 249 N GLU A 17 7.150 2.440 -8.433 1.00 0.93 N ATOM 250 CA GLU A 17 6.099 1.776 -9.243 1.00 0.91 C ATOM 251 C GLU A 17 4.796 1.879 -8.460 1.00 0.77 C ATOM 252 O GLU A 17 3.723 2.025 -9.015 1.00 0.75 O ATOM 253 CB GLU A 17 6.460 0.305 -9.463 1.00 0.98 C ATOM 254 CG GLU A 17 6.134 -0.094 -10.903 1.00 1.29 C ATOM 255 CD GLU A 17 5.452 -1.464 -10.912 1.00 1.58 C ATOM 256 OE1 GLU A 17 5.690 -2.228 -9.991 1.00 2.14 O ATOM 257 OE2 GLU A 17 4.703 -1.725 -11.839 1.00 2.19 O ATOM 0 H GLU A 17 7.931 1.848 -8.151 1.00 0.93 H new ATOM 0 HA GLU A 17 6.004 2.251 -10.219 1.00 0.91 H new ATOM 0 HB2 GLU A 17 7.519 0.146 -9.262 1.00 0.98 H new ATOM 0 HB3 GLU A 17 5.906 -0.324 -8.766 1.00 0.98 H new ATOM 0 HG2 GLU A 17 5.482 0.651 -11.359 1.00 1.29 H new ATOM 0 HG3 GLU A 17 7.047 -0.127 -11.498 1.00 1.29 H new ATOM 264 N MET A 18 4.894 1.829 -7.159 1.00 0.69 N ATOM 265 CA MET A 18 3.680 1.945 -6.316 1.00 0.58 C ATOM 266 C MET A 18 3.317 3.424 -6.181 1.00 0.54 C ATOM 267 O MET A 18 2.189 3.769 -5.889 1.00 0.50 O ATOM 268 CB MET A 18 3.963 1.355 -4.933 1.00 0.56 C ATOM 269 CG MET A 18 2.689 1.388 -4.088 1.00 0.66 C ATOM 270 SD MET A 18 3.132 1.327 -2.334 1.00 1.00 S ATOM 271 CE MET A 18 1.503 0.861 -1.699 1.00 0.71 C ATOM 0 H MET A 18 5.768 1.712 -6.646 1.00 0.69 H new ATOM 0 HA MET A 18 2.853 1.402 -6.773 1.00 0.58 H new ATOM 0 HB2 MET A 18 4.320 0.330 -5.031 1.00 0.56 H new ATOM 0 HB3 MET A 18 4.753 1.922 -4.440 1.00 0.56 H new ATOM 0 HG2 MET A 18 2.122 2.294 -4.300 1.00 0.66 H new ATOM 0 HG3 MET A 18 2.048 0.544 -4.343 1.00 0.66 H new ATOM 0 HE1 MET A 18 1.369 1.278 -0.701 1.00 0.71 H new ATOM 0 HE2 MET A 18 0.730 1.249 -2.362 1.00 0.71 H new ATOM 0 HE3 MET A 18 1.428 -0.225 -1.651 1.00 0.71 H new ATOM 281 N GLU A 19 4.264 4.307 -6.386 1.00 0.63 N ATOM 282 CA GLU A 19 3.953 5.756 -6.259 1.00 0.64 C ATOM 283 C GLU A 19 3.237 6.249 -7.517 1.00 0.66 C ATOM 284 O GLU A 19 2.463 7.179 -7.466 1.00 0.68 O ATOM 285 CB GLU A 19 5.252 6.540 -6.068 1.00 0.77 C ATOM 286 CG GLU A 19 4.953 7.863 -5.360 1.00 1.27 C ATOM 287 CD GLU A 19 6.148 8.805 -5.514 1.00 1.49 C ATOM 288 OE1 GLU A 19 7.265 8.346 -5.337 1.00 1.92 O ATOM 289 OE2 GLU A 19 5.927 9.968 -5.807 1.00 2.09 O ATOM 0 H GLU A 19 5.228 4.086 -6.633 1.00 0.63 H new ATOM 0 HA GLU A 19 3.303 5.909 -5.397 1.00 0.64 H new ATOM 0 HB2 GLU A 19 5.960 5.954 -5.482 1.00 0.77 H new ATOM 0 HB3 GLU A 19 5.719 6.730 -7.034 1.00 0.77 H new ATOM 0 HG2 GLU A 19 4.059 8.320 -5.783 1.00 1.27 H new ATOM 0 HG3 GLU A 19 4.750 7.685 -4.304 1.00 1.27 H new ATOM 296 N GLN A 20 3.476 5.635 -8.643 1.00 0.72 N ATOM 297 CA GLN A 20 2.789 6.083 -9.886 1.00 0.78 C ATOM 298 C GLN A 20 1.399 5.455 -9.930 1.00 0.73 C ATOM 299 O GLN A 20 0.480 5.987 -10.519 1.00 0.78 O ATOM 300 CB GLN A 20 3.592 5.640 -11.110 1.00 0.90 C ATOM 301 CG GLN A 20 4.148 6.872 -11.828 1.00 1.55 C ATOM 302 CD GLN A 20 3.245 7.228 -13.010 1.00 1.64 C ATOM 303 OE1 GLN A 20 3.615 7.035 -14.152 1.00 2.02 O ATOM 304 NE2 GLN A 20 2.068 7.744 -12.786 1.00 2.18 N ATOM 0 H GLN A 20 4.114 4.847 -8.756 1.00 0.72 H new ATOM 0 HA GLN A 20 2.707 7.170 -9.892 1.00 0.78 H new ATOM 0 HB2 GLN A 20 4.408 4.984 -10.805 1.00 0.90 H new ATOM 0 HB3 GLN A 20 2.958 5.067 -11.786 1.00 0.90 H new ATOM 0 HG2 GLN A 20 4.207 7.713 -11.137 1.00 1.55 H new ATOM 0 HG3 GLN A 20 5.161 6.675 -12.178 1.00 1.55 H new ATOM 0 HE21 GLN A 20 1.756 7.906 -11.829 1.00 2.18 H new ATOM 0 HE22 GLN A 20 1.459 7.985 -13.568 1.00 2.18 H new ATOM 313 N LEU A 21 1.245 4.321 -9.305 1.00 0.65 N ATOM 314 CA LEU A 21 -0.071 3.640 -9.297 1.00 0.65 C ATOM 315 C LEU A 21 -1.034 4.418 -8.410 1.00 0.57 C ATOM 316 O LEU A 21 -2.186 4.609 -8.740 1.00 0.64 O ATOM 317 CB LEU A 21 0.102 2.242 -8.718 1.00 0.63 C ATOM 318 CG LEU A 21 -1.041 1.358 -9.194 1.00 0.73 C ATOM 319 CD1 LEU A 21 -0.603 0.654 -10.473 1.00 0.97 C ATOM 320 CD2 LEU A 21 -1.375 0.321 -8.120 1.00 0.76 C ATOM 0 H LEU A 21 1.984 3.836 -8.796 1.00 0.65 H new ATOM 0 HA LEU A 21 -0.463 3.584 -10.313 1.00 0.65 H new ATOM 0 HB2 LEU A 21 1.058 1.821 -9.031 1.00 0.63 H new ATOM 0 HB3 LEU A 21 0.115 2.286 -7.629 1.00 0.63 H new ATOM 0 HG LEU A 21 -1.928 1.962 -9.384 1.00 0.73 H new ATOM 0 HD11 LEU A 21 -1.410 0.014 -10.831 1.00 0.97 H new ATOM 0 HD12 LEU A 21 -0.364 1.397 -11.234 1.00 0.97 H new ATOM 0 HD13 LEU A 21 0.279 0.046 -10.270 1.00 0.97 H new ATOM 0 HD21 LEU A 21 -2.194 -0.310 -8.465 1.00 0.76 H new ATOM 0 HD22 LEU A 21 -0.498 -0.297 -7.926 1.00 0.76 H new ATOM 0 HD23 LEU A 21 -1.671 0.830 -7.203 1.00 0.76 H new ATOM 332 N PHE A 22 -0.570 4.854 -7.274 1.00 0.47 N ATOM 333 CA PHE A 22 -1.460 5.606 -6.351 1.00 0.43 C ATOM 334 C PHE A 22 -1.341 7.109 -6.624 1.00 0.47 C ATOM 335 O PHE A 22 -2.199 7.882 -6.248 1.00 0.47 O ATOM 336 CB PHE A 22 -1.059 5.296 -4.911 1.00 0.38 C ATOM 337 CG PHE A 22 -1.390 3.856 -4.598 1.00 0.38 C ATOM 338 CD1 PHE A 22 -0.631 2.827 -5.170 1.00 1.20 C ATOM 339 CD2 PHE A 22 -2.449 3.548 -3.737 1.00 1.25 C ATOM 340 CE1 PHE A 22 -0.932 1.492 -4.881 1.00 1.19 C ATOM 341 CE2 PHE A 22 -2.750 2.212 -3.448 1.00 1.28 C ATOM 342 CZ PHE A 22 -1.992 1.184 -4.020 1.00 0.47 C ATOM 0 H PHE A 22 0.387 4.722 -6.945 1.00 0.47 H new ATOM 0 HA PHE A 22 -2.496 5.306 -6.510 1.00 0.43 H new ATOM 0 HB2 PHE A 22 0.007 5.474 -4.772 1.00 0.38 H new ATOM 0 HB3 PHE A 22 -1.585 5.959 -4.224 1.00 0.38 H new ATOM 0 HD1 PHE A 22 0.187 3.064 -5.834 1.00 1.20 H new ATOM 0 HD2 PHE A 22 -3.034 4.341 -3.295 1.00 1.25 H new ATOM 0 HE1 PHE A 22 -0.347 0.699 -5.322 1.00 1.19 H new ATOM 0 HE2 PHE A 22 -3.567 1.974 -2.783 1.00 1.28 H new ATOM 0 HZ PHE A 22 -2.225 0.153 -3.797 1.00 0.47 H new ATOM 352 N SER A 23 -0.298 7.532 -7.291 1.00 0.53 N ATOM 353 CA SER A 23 -0.163 8.990 -7.596 1.00 0.59 C ATOM 354 C SER A 23 -1.259 9.375 -8.592 1.00 0.66 C ATOM 355 O SER A 23 -1.850 10.433 -8.509 1.00 0.69 O ATOM 356 CB SER A 23 1.202 9.269 -8.223 1.00 0.66 C ATOM 357 OG SER A 23 2.159 9.476 -7.193 1.00 1.53 O ATOM 0 H SER A 23 0.458 6.940 -7.635 1.00 0.53 H new ATOM 0 HA SER A 23 -0.256 9.569 -6.677 1.00 0.59 H new ATOM 0 HB2 SER A 23 1.504 8.432 -8.852 1.00 0.66 H new ATOM 0 HB3 SER A 23 1.147 10.148 -8.866 1.00 0.66 H new ATOM 0 HG SER A 23 2.377 8.618 -6.772 1.00 1.53 H new ATOM 363 N GLN A 24 -1.532 8.512 -9.535 1.00 0.70 N ATOM 364 CA GLN A 24 -2.589 8.806 -10.544 1.00 0.79 C ATOM 365 C GLN A 24 -3.938 8.942 -9.838 1.00 0.76 C ATOM 366 O GLN A 24 -4.840 9.598 -10.321 1.00 0.85 O ATOM 367 CB GLN A 24 -2.656 7.659 -11.555 1.00 0.84 C ATOM 368 CG GLN A 24 -3.759 7.942 -12.577 1.00 1.61 C ATOM 369 CD GLN A 24 -3.506 9.297 -13.239 1.00 1.97 C ATOM 370 OE1 GLN A 24 -4.116 10.285 -12.880 1.00 2.37 O ATOM 371 NE2 GLN A 24 -2.625 9.388 -14.197 1.00 2.51 N ATOM 0 H GLN A 24 -1.065 7.612 -9.649 1.00 0.70 H new ATOM 0 HA GLN A 24 -2.354 9.736 -11.062 1.00 0.79 H new ATOM 0 HB2 GLN A 24 -1.697 7.550 -12.061 1.00 0.84 H new ATOM 0 HB3 GLN A 24 -2.855 6.718 -11.041 1.00 0.84 H new ATOM 0 HG2 GLN A 24 -3.781 7.155 -13.331 1.00 1.61 H new ATOM 0 HG3 GLN A 24 -4.733 7.941 -12.087 1.00 1.61 H new ATOM 0 HE21 GLN A 24 -2.113 8.559 -14.499 1.00 2.51 H new ATOM 0 HE22 GLN A 24 -2.449 10.288 -14.644 1.00 2.51 H new ATOM 380 N TYR A 25 -4.080 8.332 -8.694 1.00 0.66 N ATOM 381 CA TYR A 25 -5.367 8.427 -7.949 1.00 0.67 C ATOM 382 C TYR A 25 -5.423 9.763 -7.211 1.00 0.72 C ATOM 383 O TYR A 25 -6.479 10.321 -6.991 1.00 0.89 O ATOM 384 CB TYR A 25 -5.454 7.281 -6.939 1.00 0.60 C ATOM 385 CG TYR A 25 -5.905 6.023 -7.642 1.00 0.62 C ATOM 386 CD1 TYR A 25 -5.006 5.302 -8.435 1.00 1.47 C ATOM 387 CD2 TYR A 25 -7.226 5.579 -7.501 1.00 1.21 C ATOM 388 CE1 TYR A 25 -5.424 4.135 -9.087 1.00 1.51 C ATOM 389 CE2 TYR A 25 -7.645 4.413 -8.153 1.00 1.25 C ATOM 390 CZ TYR A 25 -6.744 3.691 -8.945 1.00 0.78 C ATOM 391 OH TYR A 25 -7.158 2.541 -9.587 1.00 0.90 O ATOM 0 H TYR A 25 -3.359 7.770 -8.242 1.00 0.66 H new ATOM 0 HA TYR A 25 -6.202 8.360 -8.646 1.00 0.67 H new ATOM 0 HB2 TYR A 25 -4.483 7.120 -6.471 1.00 0.60 H new ATOM 0 HB3 TYR A 25 -6.153 7.536 -6.143 1.00 0.60 H new ATOM 0 HD1 TYR A 25 -3.988 5.646 -8.545 1.00 1.47 H new ATOM 0 HD2 TYR A 25 -7.921 6.136 -6.890 1.00 1.21 H new ATOM 0 HE1 TYR A 25 -4.729 3.579 -9.698 1.00 1.51 H new ATOM 0 HE2 TYR A 25 -8.664 4.070 -8.045 1.00 1.25 H new ATOM 0 HH TYR A 25 -7.025 1.771 -8.996 1.00 0.90 H new ATOM 401 N GLY A 26 -4.290 10.281 -6.829 1.00 0.64 N ATOM 402 CA GLY A 26 -4.266 11.582 -6.106 1.00 0.72 C ATOM 403 C GLY A 26 -2.829 11.905 -5.704 1.00 0.68 C ATOM 404 O GLY A 26 -2.092 11.046 -5.260 1.00 0.84 O ATOM 0 H GLY A 26 -3.376 9.857 -6.987 1.00 0.64 H new ATOM 0 HA2 GLY A 26 -4.665 12.373 -6.741 1.00 0.72 H new ATOM 0 HA3 GLY A 26 -4.901 11.532 -5.222 1.00 0.72 H new ATOM 408 N ARG A 27 -2.424 13.135 -5.857 1.00 0.84 N ATOM 409 CA ARG A 27 -1.031 13.514 -5.485 1.00 0.80 C ATOM 410 C ARG A 27 -0.667 12.861 -4.151 1.00 0.71 C ATOM 411 O ARG A 27 -1.126 13.274 -3.104 1.00 0.73 O ATOM 412 CB ARG A 27 -0.930 15.035 -5.343 1.00 0.89 C ATOM 413 CG ARG A 27 -1.723 15.715 -6.461 1.00 1.70 C ATOM 414 CD ARG A 27 -1.300 17.182 -6.566 1.00 2.24 C ATOM 415 NE ARG A 27 -1.545 17.864 -5.263 1.00 2.82 N ATOM 416 CZ ARG A 27 -2.699 18.426 -5.027 1.00 3.38 C ATOM 417 NH1 ARG A 27 -3.740 17.689 -4.747 1.00 4.10 N ATOM 418 NH2 ARG A 27 -2.813 19.725 -5.071 1.00 3.69 N ATOM 0 H ARG A 27 -2.997 13.895 -6.224 1.00 0.84 H new ATOM 0 HA ARG A 27 -0.346 13.175 -6.262 1.00 0.80 H new ATOM 0 HB2 ARG A 27 -1.315 15.345 -4.372 1.00 0.89 H new ATOM 0 HB3 ARG A 27 0.114 15.345 -5.385 1.00 0.89 H new ATOM 0 HG2 ARG A 27 -1.546 15.206 -7.408 1.00 1.70 H new ATOM 0 HG3 ARG A 27 -2.792 15.647 -6.257 1.00 1.70 H new ATOM 0 HD2 ARG A 27 -0.245 17.249 -6.831 1.00 2.24 H new ATOM 0 HD3 ARG A 27 -1.860 17.677 -7.359 1.00 2.24 H new ATOM 0 HE ARG A 27 -0.810 17.891 -4.556 1.00 2.82 H new ATOM 0 HH11 ARG A 27 -3.651 16.673 -4.713 1.00 4.10 H new ATOM 0 HH12 ARG A 27 -4.642 18.129 -4.563 1.00 4.10 H new ATOM 0 HH21 ARG A 27 -2.000 20.301 -5.290 1.00 3.69 H new ATOM 0 HH22 ARG A 27 -3.715 20.164 -4.887 1.00 3.69 H new ATOM 432 N ILE A 28 0.146 11.839 -4.173 1.00 0.63 N ATOM 433 CA ILE A 28 0.518 11.168 -2.895 1.00 0.58 C ATOM 434 C ILE A 28 1.577 11.991 -2.157 1.00 0.61 C ATOM 435 O ILE A 28 2.346 12.720 -2.752 1.00 0.70 O ATOM 436 CB ILE A 28 1.087 9.782 -3.193 1.00 0.53 C ATOM 437 CG1 ILE A 28 -0.044 8.849 -3.613 1.00 0.56 C ATOM 438 CG2 ILE A 28 1.762 9.219 -1.938 1.00 0.48 C ATOM 439 CD1 ILE A 28 0.517 7.444 -3.809 1.00 0.50 C ATOM 0 H ILE A 28 0.566 11.443 -5.014 1.00 0.63 H new ATOM 0 HA ILE A 28 -0.372 11.080 -2.272 1.00 0.58 H new ATOM 0 HB ILE A 28 1.819 9.860 -3.996 1.00 0.53 H new ATOM 0 HG12 ILE A 28 -0.826 8.840 -2.853 1.00 0.56 H new ATOM 0 HG13 ILE A 28 -0.501 9.204 -4.537 1.00 0.56 H new ATOM 0 HG21 ILE A 28 2.166 8.230 -2.155 1.00 0.48 H new ATOM 0 HG22 ILE A 28 2.570 9.882 -1.631 1.00 0.48 H new ATOM 0 HG23 ILE A 28 1.030 9.143 -1.134 1.00 0.48 H new ATOM 0 HD11 ILE A 28 -0.286 6.770 -4.109 1.00 0.50 H new ATOM 0 HD12 ILE A 28 1.284 7.463 -4.583 1.00 0.50 H new ATOM 0 HD13 ILE A 28 0.954 7.093 -2.874 1.00 0.50 H new ATOM 451 N ILE A 29 1.620 11.866 -0.859 1.00 0.60 N ATOM 452 CA ILE A 29 2.622 12.619 -0.058 1.00 0.67 C ATOM 453 C ILE A 29 3.906 11.793 0.042 1.00 0.66 C ATOM 454 O ILE A 29 4.898 12.086 -0.595 1.00 0.69 O ATOM 455 CB ILE A 29 2.061 12.859 1.345 1.00 0.72 C ATOM 456 CG1 ILE A 29 0.697 13.558 1.256 1.00 0.75 C ATOM 457 CG2 ILE A 29 3.030 13.729 2.143 1.00 0.81 C ATOM 458 CD1 ILE A 29 0.724 14.634 0.167 1.00 0.80 C ATOM 0 H ILE A 29 0.997 11.268 -0.316 1.00 0.60 H new ATOM 0 HA ILE A 29 2.838 13.575 -0.535 1.00 0.67 H new ATOM 0 HB ILE A 29 1.936 11.899 1.846 1.00 0.72 H new ATOM 0 HG12 ILE A 29 -0.081 12.827 1.036 1.00 0.75 H new ATOM 0 HG13 ILE A 29 0.448 14.009 2.217 1.00 0.75 H new ATOM 0 HG21 ILE A 29 2.628 13.899 3.142 1.00 0.81 H new ATOM 0 HG22 ILE A 29 3.993 13.224 2.220 1.00 0.81 H new ATOM 0 HG23 ILE A 29 3.161 14.686 1.637 1.00 0.81 H new ATOM 0 HD11 ILE A 29 -0.249 15.122 0.114 1.00 0.80 H new ATOM 0 HD12 ILE A 29 1.489 15.373 0.405 1.00 0.80 H new ATOM 0 HD13 ILE A 29 0.952 14.173 -0.794 1.00 0.80 H new ATOM 470 N THR A 30 3.888 10.752 0.830 1.00 0.64 N ATOM 471 CA THR A 30 5.097 9.894 0.965 1.00 0.67 C ATOM 472 C THR A 30 4.705 8.448 0.662 1.00 0.60 C ATOM 473 O THR A 30 3.758 7.925 1.214 1.00 0.59 O ATOM 474 CB THR A 30 5.642 9.995 2.392 1.00 0.80 C ATOM 475 OG1 THR A 30 4.584 9.777 3.315 1.00 0.88 O ATOM 476 CG2 THR A 30 6.239 11.386 2.613 1.00 0.96 C ATOM 0 H THR A 30 3.085 10.459 1.387 1.00 0.64 H new ATOM 0 HA THR A 30 5.868 10.223 0.269 1.00 0.67 H new ATOM 0 HB THR A 30 6.416 9.243 2.543 1.00 0.80 H new ATOM 0 HG1 THR A 30 4.017 9.045 2.995 1.00 0.88 H new ATOM 0 HG21 THR A 30 6.627 11.458 3.629 1.00 0.96 H new ATOM 0 HG22 THR A 30 7.049 11.551 1.903 1.00 0.96 H new ATOM 0 HG23 THR A 30 5.467 12.141 2.465 1.00 0.96 H new ATOM 484 N SER A 31 5.411 7.801 -0.224 1.00 0.60 N ATOM 485 CA SER A 31 5.054 6.396 -0.569 1.00 0.58 C ATOM 486 C SER A 31 6.307 5.520 -0.577 1.00 0.61 C ATOM 487 O SER A 31 7.420 6.007 -0.631 1.00 0.71 O ATOM 488 CB SER A 31 4.403 6.376 -1.953 1.00 0.63 C ATOM 489 OG SER A 31 5.015 5.376 -2.759 1.00 1.09 O ATOM 0 H SER A 31 6.216 8.182 -0.722 1.00 0.60 H new ATOM 0 HA SER A 31 4.360 6.005 0.175 1.00 0.58 H new ATOM 0 HB2 SER A 31 3.335 6.178 -1.860 1.00 0.63 H new ATOM 0 HB3 SER A 31 4.506 7.352 -2.428 1.00 0.63 H new ATOM 0 HG SER A 31 4.594 5.366 -3.644 1.00 1.09 H new ATOM 495 N ARG A 32 6.131 4.227 -0.528 1.00 0.58 N ATOM 496 CA ARG A 32 7.311 3.313 -0.539 1.00 0.69 C ATOM 497 C ARG A 32 6.852 1.862 -0.363 1.00 0.63 C ATOM 498 O ARG A 32 5.829 1.593 0.235 1.00 0.67 O ATOM 499 CB ARG A 32 8.251 3.688 0.608 1.00 0.84 C ATOM 500 CG ARG A 32 9.655 3.940 0.058 1.00 1.58 C ATOM 501 CD ARG A 32 10.590 4.315 1.208 1.00 1.95 C ATOM 502 NE ARG A 32 10.754 3.144 2.115 1.00 2.43 N ATOM 503 CZ ARG A 32 10.028 3.050 3.195 1.00 2.90 C ATOM 504 NH1 ARG A 32 10.187 3.909 4.164 1.00 3.49 N ATOM 505 NH2 ARG A 32 9.141 2.099 3.305 1.00 3.30 N ATOM 0 H ARG A 32 5.223 3.764 -0.481 1.00 0.58 H new ATOM 0 HA ARG A 32 7.831 3.411 -1.492 1.00 0.69 H new ATOM 0 HB2 ARG A 32 7.883 4.579 1.117 1.00 0.84 H new ATOM 0 HB3 ARG A 32 8.277 2.887 1.347 1.00 0.84 H new ATOM 0 HG2 ARG A 32 10.024 3.049 -0.450 1.00 1.58 H new ATOM 0 HG3 ARG A 32 9.630 4.741 -0.681 1.00 1.58 H new ATOM 0 HD2 ARG A 32 11.559 4.625 0.817 1.00 1.95 H new ATOM 0 HD3 ARG A 32 10.184 5.162 1.760 1.00 1.95 H new ATOM 0 HE ARG A 32 11.433 2.417 1.892 1.00 2.43 H new ATOM 0 HH11 ARG A 32 10.879 4.654 4.077 1.00 3.49 H new ATOM 0 HH12 ARG A 32 9.620 3.836 5.009 1.00 3.49 H new ATOM 0 HH21 ARG A 32 9.015 1.429 2.546 1.00 3.30 H new ATOM 0 HH22 ARG A 32 8.574 2.026 4.150 1.00 3.30 H new ATOM 519 N ILE A 33 7.606 0.923 -0.875 1.00 0.71 N ATOM 520 CA ILE A 33 7.214 -0.508 -0.728 1.00 0.69 C ATOM 521 C ILE A 33 8.056 -1.153 0.374 1.00 0.78 C ATOM 522 O ILE A 33 9.269 -1.185 0.306 1.00 0.93 O ATOM 523 CB ILE A 33 7.447 -1.258 -2.048 1.00 0.71 C ATOM 524 CG1 ILE A 33 6.334 -0.899 -3.039 1.00 0.76 C ATOM 525 CG2 ILE A 33 7.433 -2.772 -1.788 1.00 0.72 C ATOM 526 CD1 ILE A 33 6.549 -1.655 -4.354 1.00 0.75 C ATOM 0 H ILE A 33 8.473 1.086 -1.387 1.00 0.71 H new ATOM 0 HA ILE A 33 6.157 -0.563 -0.468 1.00 0.69 H new ATOM 0 HB ILE A 33 8.413 -0.972 -2.464 1.00 0.71 H new ATOM 0 HG12 ILE A 33 5.362 -1.154 -2.617 1.00 0.76 H new ATOM 0 HG13 ILE A 33 6.330 0.175 -3.223 1.00 0.76 H new ATOM 0 HG21 ILE A 33 7.598 -3.304 -2.725 1.00 0.72 H new ATOM 0 HG22 ILE A 33 8.223 -3.027 -1.082 1.00 0.72 H new ATOM 0 HG23 ILE A 33 6.468 -3.061 -1.372 1.00 0.72 H new ATOM 0 HD11 ILE A 33 5.756 -1.397 -5.056 1.00 0.75 H new ATOM 0 HD12 ILE A 33 7.514 -1.378 -4.779 1.00 0.75 H new ATOM 0 HD13 ILE A 33 6.531 -2.728 -4.164 1.00 0.75 H new ATOM 538 N LEU A 34 7.420 -1.677 1.382 1.00 0.88 N ATOM 539 CA LEU A 34 8.180 -2.331 2.479 1.00 1.02 C ATOM 540 C LEU A 34 8.487 -3.777 2.083 1.00 0.86 C ATOM 541 O LEU A 34 7.627 -4.628 2.128 1.00 0.90 O ATOM 542 CB LEU A 34 7.338 -2.325 3.755 1.00 1.29 C ATOM 543 CG LEU A 34 8.178 -1.800 4.918 1.00 1.49 C ATOM 544 CD1 LEU A 34 7.255 -1.261 6.013 1.00 1.90 C ATOM 545 CD2 LEU A 34 9.029 -2.939 5.484 1.00 2.25 C ATOM 0 H LEU A 34 6.406 -1.680 1.493 1.00 0.88 H new ATOM 0 HA LEU A 34 9.110 -1.790 2.654 1.00 1.02 H new ATOM 0 HB2 LEU A 34 6.456 -1.699 3.618 1.00 1.29 H new ATOM 0 HB3 LEU A 34 6.984 -3.332 3.974 1.00 1.29 H new ATOM 0 HG LEU A 34 8.828 -0.999 4.565 1.00 1.49 H new ATOM 0 HD11 LEU A 34 7.855 -0.887 6.843 1.00 1.90 H new ATOM 0 HD12 LEU A 34 6.647 -0.451 5.610 1.00 1.90 H new ATOM 0 HD13 LEU A 34 6.605 -2.061 6.367 1.00 1.90 H new ATOM 0 HD21 LEU A 34 9.629 -2.567 6.314 1.00 2.25 H new ATOM 0 HD22 LEU A 34 8.378 -3.739 5.837 1.00 2.25 H new ATOM 0 HD23 LEU A 34 9.687 -3.324 4.705 1.00 2.25 H new ATOM 557 N LEU A 35 9.703 -4.051 1.689 1.00 0.90 N ATOM 558 CA LEU A 35 10.085 -5.442 1.290 1.00 0.95 C ATOM 559 C LEU A 35 11.620 -5.541 1.304 1.00 1.13 C ATOM 560 O LEU A 35 12.274 -5.047 0.407 1.00 1.68 O ATOM 561 CB LEU A 35 9.569 -5.726 -0.131 1.00 1.38 C ATOM 562 CG LEU A 35 10.017 -7.118 -0.615 1.00 1.86 C ATOM 563 CD1 LEU A 35 11.395 -7.013 -1.269 1.00 2.46 C ATOM 564 CD2 LEU A 35 10.087 -8.109 0.556 1.00 2.17 C ATOM 0 H LEU A 35 10.456 -3.366 1.625 1.00 0.90 H new ATOM 0 HA LEU A 35 9.652 -6.166 1.980 1.00 0.95 H new ATOM 0 HB2 LEU A 35 8.481 -5.665 -0.145 1.00 1.38 H new ATOM 0 HB3 LEU A 35 9.940 -4.963 -0.815 1.00 1.38 H new ATOM 0 HG LEU A 35 9.287 -7.482 -1.338 1.00 1.86 H new ATOM 0 HD11 LEU A 35 11.711 -7.998 -1.611 1.00 2.46 H new ATOM 0 HD12 LEU A 35 11.343 -6.333 -2.119 1.00 2.46 H new ATOM 0 HD13 LEU A 35 12.114 -6.633 -0.543 1.00 2.46 H new ATOM 0 HD21 LEU A 35 10.406 -9.084 0.189 1.00 2.17 H new ATOM 0 HD22 LEU A 35 10.802 -7.749 1.295 1.00 2.17 H new ATOM 0 HD23 LEU A 35 9.103 -8.198 1.016 1.00 2.17 H new ATOM 576 N ASP A 36 12.220 -6.134 2.309 1.00 1.05 N ATOM 577 CA ASP A 36 13.714 -6.186 2.323 1.00 1.43 C ATOM 578 C ASP A 36 14.261 -7.608 2.491 1.00 1.64 C ATOM 579 O ASP A 36 13.624 -8.485 3.012 1.00 2.07 O ATOM 580 CB ASP A 36 14.240 -5.309 3.462 1.00 1.88 C ATOM 581 CG ASP A 36 15.755 -5.150 3.326 1.00 2.41 C ATOM 582 OD1 ASP A 36 16.204 -4.857 2.230 1.00 2.75 O ATOM 583 OD2 ASP A 36 16.441 -5.322 4.321 1.00 2.92 O ATOM 0 H ASP A 36 11.753 -6.574 3.102 1.00 1.05 H new ATOM 0 HA ASP A 36 14.057 -5.819 1.355 1.00 1.43 H new ATOM 0 HB2 ASP A 36 13.757 -4.332 3.435 1.00 1.88 H new ATOM 0 HB3 ASP A 36 13.996 -5.759 4.424 1.00 1.88 H new ATOM 588 N GLN A 37 15.469 -7.830 2.053 1.00 2.20 N ATOM 589 CA GLN A 37 16.074 -9.183 2.188 1.00 2.97 C ATOM 590 C GLN A 37 17.593 -9.049 2.326 1.00 3.00 C ATOM 591 O GLN A 37 18.343 -9.523 1.496 1.00 3.60 O ATOM 592 CB GLN A 37 15.746 -10.014 0.946 1.00 3.89 C ATOM 593 CG GLN A 37 15.755 -9.110 -0.289 1.00 4.61 C ATOM 594 CD GLN A 37 16.582 -9.767 -1.395 1.00 5.47 C ATOM 595 OE1 GLN A 37 17.745 -9.459 -1.565 1.00 5.91 O ATOM 596 NE2 GLN A 37 16.027 -10.666 -2.161 1.00 6.10 N ATOM 0 H GLN A 37 16.064 -7.131 1.607 1.00 2.20 H new ATOM 0 HA GLN A 37 15.670 -9.676 3.072 1.00 2.97 H new ATOM 0 HB2 GLN A 37 16.475 -10.816 0.829 1.00 3.89 H new ATOM 0 HB3 GLN A 37 14.770 -10.485 1.058 1.00 3.89 H new ATOM 0 HG2 GLN A 37 14.736 -8.939 -0.635 1.00 4.61 H new ATOM 0 HG3 GLN A 37 16.174 -8.136 -0.037 1.00 4.61 H new ATOM 0 HE21 GLN A 37 15.051 -10.925 -2.019 1.00 6.10 H new ATOM 0 HE22 GLN A 37 16.569 -11.110 -2.902 1.00 6.10 H new ATOM 605 N ALA A 38 18.055 -8.404 3.365 1.00 2.57 N ATOM 606 CA ALA A 38 19.526 -8.245 3.542 1.00 2.83 C ATOM 607 C ALA A 38 19.824 -7.535 4.867 1.00 2.77 C ATOM 608 O ALA A 38 20.731 -7.906 5.586 1.00 3.28 O ATOM 609 CB ALA A 38 20.087 -7.414 2.387 1.00 3.19 C ATOM 0 H ALA A 38 17.480 -7.983 4.094 1.00 2.57 H new ATOM 0 HA ALA A 38 19.992 -9.230 3.552 1.00 2.83 H new ATOM 0 HB1 ALA A 38 21.163 -7.296 2.513 1.00 3.19 H new ATOM 0 HB2 ALA A 38 19.886 -7.921 1.443 1.00 3.19 H new ATOM 0 HB3 ALA A 38 19.612 -6.433 2.381 1.00 3.19 H new ATOM 615 N THR A 39 19.081 -6.511 5.195 1.00 2.56 N ATOM 616 CA THR A 39 19.344 -5.782 6.472 1.00 3.02 C ATOM 617 C THR A 39 18.034 -5.568 7.238 1.00 2.98 C ATOM 618 O THR A 39 17.956 -4.750 8.133 1.00 3.47 O ATOM 619 CB THR A 39 19.977 -4.423 6.160 1.00 3.56 C ATOM 620 OG1 THR A 39 19.333 -3.850 5.031 1.00 3.54 O ATOM 621 CG2 THR A 39 21.467 -4.606 5.862 1.00 3.99 C ATOM 0 H THR A 39 18.307 -6.149 4.638 1.00 2.56 H new ATOM 0 HA THR A 39 20.022 -6.374 7.086 1.00 3.02 H new ATOM 0 HB THR A 39 19.860 -3.763 7.019 1.00 3.56 H new ATOM 0 HG1 THR A 39 19.736 -2.979 4.831 1.00 3.54 H new ATOM 0 HG21 THR A 39 21.915 -3.638 5.640 1.00 3.99 H new ATOM 0 HG22 THR A 39 21.960 -5.044 6.730 1.00 3.99 H new ATOM 0 HG23 THR A 39 21.588 -5.267 5.004 1.00 3.99 H new ATOM 629 N GLY A 40 17.007 -6.298 6.901 1.00 2.70 N ATOM 630 CA GLY A 40 15.708 -6.137 7.617 1.00 3.04 C ATOM 631 C GLY A 40 14.891 -7.420 7.465 1.00 2.88 C ATOM 632 O GLY A 40 15.197 -8.435 8.058 1.00 3.31 O ATOM 0 H GLY A 40 17.010 -7.000 6.161 1.00 2.70 H new ATOM 0 HA2 GLY A 40 15.884 -5.926 8.672 1.00 3.04 H new ATOM 0 HA3 GLY A 40 15.157 -5.290 7.210 1.00 3.04 H new ATOM 636 N VAL A 41 13.869 -7.391 6.656 1.00 2.47 N ATOM 637 CA VAL A 41 13.051 -8.613 6.443 1.00 2.56 C ATOM 638 C VAL A 41 12.305 -8.441 5.146 1.00 1.97 C ATOM 639 O VAL A 41 12.017 -7.343 4.736 1.00 1.81 O ATOM 640 CB VAL A 41 12.046 -8.811 7.569 1.00 3.13 C ATOM 641 CG1 VAL A 41 11.378 -10.180 7.424 1.00 3.51 C ATOM 642 CG2 VAL A 41 12.772 -8.745 8.905 1.00 3.77 C ATOM 0 H VAL A 41 13.566 -6.570 6.132 1.00 2.47 H new ATOM 0 HA VAL A 41 13.705 -9.485 6.419 1.00 2.56 H new ATOM 0 HB VAL A 41 11.287 -8.030 7.522 1.00 3.13 H new ATOM 0 HG11 VAL A 41 10.659 -10.321 8.231 1.00 3.51 H new ATOM 0 HG12 VAL A 41 10.863 -10.234 6.465 1.00 3.51 H new ATOM 0 HG13 VAL A 41 12.136 -10.962 7.473 1.00 3.51 H new ATOM 0 HG21 VAL A 41 12.057 -8.886 9.715 1.00 3.77 H new ATOM 0 HG22 VAL A 41 13.528 -9.529 8.947 1.00 3.77 H new ATOM 0 HG23 VAL A 41 13.252 -7.772 9.010 1.00 3.77 H new ATOM 652 N SER A 42 12.000 -9.512 4.498 1.00 1.87 N ATOM 653 CA SER A 42 11.277 -9.416 3.196 1.00 1.53 C ATOM 654 C SER A 42 9.797 -9.179 3.460 1.00 1.42 C ATOM 655 O SER A 42 9.036 -10.098 3.690 1.00 1.78 O ATOM 656 CB SER A 42 11.456 -10.715 2.410 1.00 2.02 C ATOM 657 OG SER A 42 11.465 -11.812 3.314 1.00 2.46 O ATOM 0 H SER A 42 12.216 -10.460 4.806 1.00 1.87 H new ATOM 0 HA SER A 42 11.682 -8.588 2.615 1.00 1.53 H new ATOM 0 HB2 SER A 42 10.648 -10.831 1.687 1.00 2.02 H new ATOM 0 HB3 SER A 42 12.388 -10.687 1.845 1.00 2.02 H new ATOM 0 HG SER A 42 10.665 -11.777 3.879 1.00 2.46 H new ATOM 663 N ARG A 43 9.391 -7.947 3.447 1.00 1.27 N ATOM 664 CA ARG A 43 7.968 -7.629 3.716 1.00 1.44 C ATOM 665 C ARG A 43 7.107 -7.918 2.479 1.00 1.29 C ATOM 666 O ARG A 43 6.262 -8.790 2.499 1.00 1.60 O ATOM 667 CB ARG A 43 7.840 -6.160 4.114 1.00 1.71 C ATOM 668 CG ARG A 43 7.905 -6.035 5.638 1.00 2.28 C ATOM 669 CD ARG A 43 6.710 -5.219 6.134 1.00 2.71 C ATOM 670 NE ARG A 43 7.004 -4.681 7.492 1.00 3.34 N ATOM 671 CZ ARG A 43 6.030 -4.473 8.335 1.00 3.80 C ATOM 672 NH1 ARG A 43 5.067 -5.347 8.450 1.00 4.31 N ATOM 673 NH2 ARG A 43 6.019 -3.392 9.065 1.00 4.19 N ATOM 0 H ARG A 43 9.987 -7.141 3.260 1.00 1.27 H new ATOM 0 HA ARG A 43 7.614 -8.257 4.533 1.00 1.44 H new ATOM 0 HB2 ARG A 43 8.640 -5.578 3.657 1.00 1.71 H new ATOM 0 HB3 ARG A 43 6.898 -5.753 3.745 1.00 1.71 H new ATOM 0 HG2 ARG A 43 7.898 -7.024 6.095 1.00 2.28 H new ATOM 0 HG3 ARG A 43 8.836 -5.553 5.935 1.00 2.28 H new ATOM 0 HD2 ARG A 43 6.503 -4.401 5.444 1.00 2.71 H new ATOM 0 HD3 ARG A 43 5.817 -5.844 6.164 1.00 2.71 H new ATOM 0 HE ARG A 43 7.966 -4.475 7.762 1.00 3.34 H new ATOM 0 HH11 ARG A 43 5.076 -6.193 7.881 1.00 4.31 H new ATOM 0 HH12 ARG A 43 4.306 -5.184 9.109 1.00 4.31 H new ATOM 0 HH21 ARG A 43 6.772 -2.709 8.977 1.00 4.19 H new ATOM 0 HH22 ARG A 43 5.258 -3.229 9.724 1.00 4.19 H new ATOM 687 N GLY A 44 7.302 -7.204 1.406 1.00 0.99 N ATOM 688 CA GLY A 44 6.480 -7.460 0.191 1.00 1.09 C ATOM 689 C GLY A 44 5.276 -6.522 0.194 1.00 1.02 C ATOM 690 O GLY A 44 4.597 -6.364 -0.800 1.00 1.14 O ATOM 0 H GLY A 44 7.992 -6.458 1.318 1.00 0.99 H new ATOM 0 HA2 GLY A 44 7.077 -7.302 -0.707 1.00 1.09 H new ATOM 0 HA3 GLY A 44 6.148 -8.498 0.174 1.00 1.09 H new ATOM 694 N VAL A 45 5.008 -5.893 1.305 1.00 0.90 N ATOM 695 CA VAL A 45 3.852 -4.960 1.369 1.00 0.85 C ATOM 696 C VAL A 45 4.293 -3.581 0.886 1.00 0.80 C ATOM 697 O VAL A 45 5.463 -3.335 0.670 1.00 0.83 O ATOM 698 CB VAL A 45 3.351 -4.861 2.810 1.00 0.89 C ATOM 699 CG1 VAL A 45 1.972 -4.206 2.822 1.00 0.90 C ATOM 700 CG2 VAL A 45 3.252 -6.264 3.413 1.00 1.00 C ATOM 0 H VAL A 45 5.540 -5.986 2.170 1.00 0.90 H new ATOM 0 HA VAL A 45 3.048 -5.331 0.734 1.00 0.85 H new ATOM 0 HB VAL A 45 4.046 -4.261 3.397 1.00 0.89 H new ATOM 0 HG11 VAL A 45 1.612 -4.134 3.848 1.00 0.90 H new ATOM 0 HG12 VAL A 45 2.040 -3.207 2.390 1.00 0.90 H new ATOM 0 HG13 VAL A 45 1.278 -4.808 2.236 1.00 0.90 H new ATOM 0 HG21 VAL A 45 2.895 -6.194 4.440 1.00 1.00 H new ATOM 0 HG22 VAL A 45 2.556 -6.864 2.827 1.00 1.00 H new ATOM 0 HG23 VAL A 45 4.235 -6.735 3.402 1.00 1.00 H new ATOM 710 N GLY A 46 3.370 -2.679 0.713 1.00 0.77 N ATOM 711 CA GLY A 46 3.741 -1.317 0.243 1.00 0.75 C ATOM 712 C GLY A 46 2.760 -0.297 0.812 1.00 0.69 C ATOM 713 O GLY A 46 1.576 -0.352 0.555 1.00 0.81 O ATOM 0 H GLY A 46 2.374 -2.826 0.877 1.00 0.77 H new ATOM 0 HA2 GLY A 46 4.756 -1.076 0.558 1.00 0.75 H new ATOM 0 HA3 GLY A 46 3.729 -1.281 -0.846 1.00 0.75 H new ATOM 717 N PHE A 47 3.241 0.636 1.584 1.00 0.64 N ATOM 718 CA PHE A 47 2.324 1.653 2.160 1.00 0.61 C ATOM 719 C PHE A 47 2.210 2.838 1.208 1.00 0.53 C ATOM 720 O PHE A 47 3.025 3.033 0.329 1.00 0.53 O ATOM 721 CB PHE A 47 2.856 2.151 3.503 1.00 0.71 C ATOM 722 CG PHE A 47 2.835 1.028 4.511 1.00 0.79 C ATOM 723 CD1 PHE A 47 3.647 -0.097 4.326 1.00 1.45 C ATOM 724 CD2 PHE A 47 2.001 1.114 5.632 1.00 1.47 C ATOM 725 CE1 PHE A 47 3.623 -1.136 5.264 1.00 1.52 C ATOM 726 CE2 PHE A 47 1.978 0.075 6.570 1.00 1.54 C ATOM 727 CZ PHE A 47 2.790 -1.050 6.385 1.00 1.01 C ATOM 0 H PHE A 47 4.223 0.737 1.839 1.00 0.64 H new ATOM 0 HA PHE A 47 1.347 1.193 2.306 1.00 0.61 H new ATOM 0 HB2 PHE A 47 3.872 2.527 3.385 1.00 0.71 H new ATOM 0 HB3 PHE A 47 2.248 2.983 3.859 1.00 0.71 H new ATOM 0 HD1 PHE A 47 4.291 -0.163 3.461 1.00 1.45 H new ATOM 0 HD2 PHE A 47 1.375 1.983 5.773 1.00 1.47 H new ATOM 0 HE1 PHE A 47 4.248 -2.005 5.122 1.00 1.52 H new ATOM 0 HE2 PHE A 47 1.335 0.141 7.435 1.00 1.54 H new ATOM 0 HZ PHE A 47 2.774 -1.852 7.108 1.00 1.01 H new ATOM 737 N ILE A 48 1.203 3.631 1.401 1.00 0.51 N ATOM 738 CA ILE A 48 0.990 4.828 0.542 1.00 0.46 C ATOM 739 C ILE A 48 0.283 5.886 1.397 1.00 0.50 C ATOM 740 O ILE A 48 -0.802 5.656 1.895 1.00 0.57 O ATOM 741 CB ILE A 48 0.105 4.441 -0.654 1.00 0.42 C ATOM 742 CG1 ILE A 48 0.956 3.737 -1.724 1.00 0.43 C ATOM 743 CG2 ILE A 48 -0.555 5.688 -1.248 1.00 0.42 C ATOM 744 CD1 ILE A 48 1.662 4.764 -2.613 1.00 0.49 C ATOM 0 H ILE A 48 0.503 3.501 2.131 1.00 0.51 H new ATOM 0 HA ILE A 48 1.936 5.215 0.164 1.00 0.46 H new ATOM 0 HB ILE A 48 -0.675 3.761 -0.312 1.00 0.42 H new ATOM 0 HG12 ILE A 48 1.694 3.095 -1.244 1.00 0.43 H new ATOM 0 HG13 ILE A 48 0.323 3.094 -2.335 1.00 0.43 H new ATOM 0 HG21 ILE A 48 -1.179 5.401 -2.094 1.00 0.42 H new ATOM 0 HG22 ILE A 48 -1.172 6.170 -0.489 1.00 0.42 H new ATOM 0 HG23 ILE A 48 0.215 6.382 -1.584 1.00 0.42 H new ATOM 0 HD11 ILE A 48 2.259 4.246 -3.364 1.00 0.49 H new ATOM 0 HD12 ILE A 48 0.919 5.389 -3.108 1.00 0.49 H new ATOM 0 HD13 ILE A 48 2.312 5.390 -2.001 1.00 0.49 H new ATOM 756 N ARG A 49 0.881 7.029 1.601 1.00 0.50 N ATOM 757 CA ARG A 49 0.216 8.053 2.455 1.00 0.58 C ATOM 758 C ARG A 49 -0.384 9.167 1.595 1.00 0.55 C ATOM 759 O ARG A 49 0.312 10.043 1.126 1.00 0.57 O ATOM 760 CB ARG A 49 1.243 8.654 3.417 1.00 0.68 C ATOM 761 CG ARG A 49 0.519 9.396 4.542 1.00 1.06 C ATOM 762 CD ARG A 49 1.540 10.143 5.400 1.00 1.24 C ATOM 763 NE ARG A 49 0.835 10.865 6.495 1.00 1.73 N ATOM 764 CZ ARG A 49 0.891 12.167 6.560 1.00 2.29 C ATOM 765 NH1 ARG A 49 0.549 12.887 5.527 1.00 2.81 N ATOM 766 NH2 ARG A 49 1.289 12.748 7.658 1.00 2.92 N ATOM 0 H ARG A 49 1.789 7.295 1.219 1.00 0.50 H new ATOM 0 HA ARG A 49 -0.586 7.573 3.015 1.00 0.58 H new ATOM 0 HB2 ARG A 49 1.871 7.866 3.833 1.00 0.68 H new ATOM 0 HB3 ARG A 49 1.901 9.338 2.881 1.00 0.68 H new ATOM 0 HG2 ARG A 49 -0.203 10.097 4.124 1.00 1.06 H new ATOM 0 HG3 ARG A 49 -0.041 8.690 5.156 1.00 1.06 H new ATOM 0 HD2 ARG A 49 2.262 9.442 5.818 1.00 1.24 H new ATOM 0 HD3 ARG A 49 2.100 10.849 4.786 1.00 1.24 H new ATOM 0 HE ARG A 49 0.308 10.342 7.194 1.00 1.73 H new ATOM 0 HH11 ARG A 49 0.238 12.432 4.669 1.00 2.81 H new ATOM 0 HH12 ARG A 49 0.593 13.905 5.578 1.00 2.81 H new ATOM 0 HH21 ARG A 49 1.556 12.185 8.465 1.00 2.92 H new ATOM 0 HH22 ARG A 49 1.333 13.766 7.709 1.00 2.92 H new ATOM 780 N PHE A 50 -1.676 9.153 1.407 1.00 0.54 N ATOM 781 CA PHE A 50 -2.324 10.227 0.603 1.00 0.57 C ATOM 782 C PHE A 50 -2.489 11.469 1.478 1.00 0.66 C ATOM 783 O PHE A 50 -2.529 11.384 2.690 1.00 0.76 O ATOM 784 CB PHE A 50 -3.706 9.768 0.131 1.00 0.58 C ATOM 785 CG PHE A 50 -3.577 8.898 -1.098 1.00 0.51 C ATOM 786 CD1 PHE A 50 -3.466 9.490 -2.363 1.00 1.36 C ATOM 787 CD2 PHE A 50 -3.583 7.504 -0.976 1.00 1.18 C ATOM 788 CE1 PHE A 50 -3.357 8.688 -3.505 1.00 1.34 C ATOM 789 CE2 PHE A 50 -3.477 6.701 -2.119 1.00 1.17 C ATOM 790 CZ PHE A 50 -3.364 7.294 -3.384 1.00 0.43 C ATOM 0 H PHE A 50 -2.310 8.444 1.776 1.00 0.54 H new ATOM 0 HA PHE A 50 -1.703 10.451 -0.264 1.00 0.57 H new ATOM 0 HB2 PHE A 50 -4.204 9.214 0.927 1.00 0.58 H new ATOM 0 HB3 PHE A 50 -4.328 10.635 -0.092 1.00 0.58 H new ATOM 0 HD1 PHE A 50 -3.465 10.566 -2.457 1.00 1.36 H new ATOM 0 HD2 PHE A 50 -3.669 7.047 -0.001 1.00 1.18 H new ATOM 0 HE1 PHE A 50 -3.268 9.145 -4.479 1.00 1.34 H new ATOM 0 HE2 PHE A 50 -3.482 5.625 -2.025 1.00 1.17 H new ATOM 0 HZ PHE A 50 -3.282 6.675 -4.265 1.00 0.43 H new ATOM 800 N ASP A 51 -2.591 12.620 0.878 1.00 0.68 N ATOM 801 CA ASP A 51 -2.761 13.861 1.680 1.00 0.77 C ATOM 802 C ASP A 51 -4.105 13.805 2.407 1.00 0.81 C ATOM 803 O ASP A 51 -4.194 14.039 3.596 1.00 0.89 O ATOM 804 CB ASP A 51 -2.736 15.073 0.748 1.00 0.81 C ATOM 805 CG ASP A 51 -2.402 16.330 1.552 1.00 0.91 C ATOM 806 OD1 ASP A 51 -2.681 16.341 2.740 1.00 1.63 O ATOM 807 OD2 ASP A 51 -1.873 17.261 0.966 1.00 1.21 O ATOM 0 H ASP A 51 -2.564 12.755 -0.133 1.00 0.68 H new ATOM 0 HA ASP A 51 -1.953 13.946 2.407 1.00 0.77 H new ATOM 0 HB2 ASP A 51 -1.996 14.925 -0.039 1.00 0.81 H new ATOM 0 HB3 ASP A 51 -3.703 15.188 0.258 1.00 0.81 H new ATOM 812 N LYS A 52 -5.152 13.497 1.694 1.00 0.78 N ATOM 813 CA LYS A 52 -6.499 13.425 2.333 1.00 0.84 C ATOM 814 C LYS A 52 -6.932 11.962 2.473 1.00 0.79 C ATOM 815 O LYS A 52 -6.551 11.110 1.691 1.00 0.72 O ATOM 816 CB LYS A 52 -7.515 14.172 1.467 1.00 0.90 C ATOM 817 CG LYS A 52 -6.833 15.362 0.791 1.00 1.60 C ATOM 818 CD LYS A 52 -6.356 16.348 1.860 1.00 1.96 C ATOM 819 CE LYS A 52 -7.384 17.470 2.014 1.00 2.56 C ATOM 820 NZ LYS A 52 -6.860 18.714 1.382 1.00 2.88 N ATOM 0 H LYS A 52 -5.135 13.291 0.695 1.00 0.78 H new ATOM 0 HA LYS A 52 -6.450 13.883 3.321 1.00 0.84 H new ATOM 0 HB2 LYS A 52 -7.930 13.501 0.714 1.00 0.90 H new ATOM 0 HB3 LYS A 52 -8.348 14.517 2.080 1.00 0.90 H new ATOM 0 HG2 LYS A 52 -5.988 15.020 0.193 1.00 1.60 H new ATOM 0 HG3 LYS A 52 -7.527 15.854 0.110 1.00 1.60 H new ATOM 0 HD2 LYS A 52 -6.220 15.832 2.811 1.00 1.96 H new ATOM 0 HD3 LYS A 52 -5.388 16.763 1.581 1.00 1.96 H new ATOM 0 HE2 LYS A 52 -8.326 17.181 1.548 1.00 2.56 H new ATOM 0 HE3 LYS A 52 -7.592 17.645 3.070 1.00 2.56 H new ATOM 0 HZ1 LYS A 52 -7.559 19.477 1.486 1.00 2.88 H new ATOM 0 HZ2 LYS A 52 -5.972 18.992 1.846 1.00 2.88 H new ATOM 0 HZ3 LYS A 52 -6.683 18.542 0.372 1.00 2.88 H new ATOM 834 N ARG A 53 -7.732 11.664 3.462 1.00 0.85 N ATOM 835 CA ARG A 53 -8.193 10.260 3.649 1.00 0.84 C ATOM 836 C ARG A 53 -9.137 9.883 2.504 1.00 0.80 C ATOM 837 O ARG A 53 -9.281 8.727 2.161 1.00 0.76 O ATOM 838 CB ARG A 53 -8.925 10.133 4.990 1.00 0.95 C ATOM 839 CG ARG A 53 -10.203 10.975 4.966 1.00 1.46 C ATOM 840 CD ARG A 53 -10.022 12.206 5.855 1.00 1.97 C ATOM 841 NE ARG A 53 -9.958 11.784 7.283 1.00 2.17 N ATOM 842 CZ ARG A 53 -11.058 11.546 7.945 1.00 2.72 C ATOM 843 NH1 ARG A 53 -11.989 12.458 8.013 1.00 3.10 N ATOM 844 NH2 ARG A 53 -11.227 10.395 8.537 1.00 3.48 N ATOM 0 H ARG A 53 -8.085 12.332 4.147 1.00 0.85 H new ATOM 0 HA ARG A 53 -7.334 9.589 3.648 1.00 0.84 H new ATOM 0 HB2 ARG A 53 -9.170 9.089 5.183 1.00 0.95 H new ATOM 0 HB3 ARG A 53 -8.276 10.463 5.801 1.00 0.95 H new ATOM 0 HG2 ARG A 53 -10.430 11.281 3.945 1.00 1.46 H new ATOM 0 HG3 ARG A 53 -11.048 10.382 5.316 1.00 1.46 H new ATOM 0 HD2 ARG A 53 -9.110 12.735 5.580 1.00 1.97 H new ATOM 0 HD3 ARG A 53 -10.850 12.900 5.707 1.00 1.97 H new ATOM 0 HE ARG A 53 -9.054 11.681 7.744 1.00 2.17 H new ATOM 0 HH11 ARG A 53 -11.857 13.357 7.549 1.00 3.10 H new ATOM 0 HH12 ARG A 53 -12.848 12.272 8.530 1.00 3.10 H new ATOM 0 HH21 ARG A 53 -10.500 9.682 8.482 1.00 3.48 H new ATOM 0 HH22 ARG A 53 -12.086 10.209 9.054 1.00 3.48 H new ATOM 858 N ILE A 54 -9.774 10.853 1.904 1.00 0.87 N ATOM 859 CA ILE A 54 -10.699 10.552 0.775 1.00 0.85 C ATOM 860 C ILE A 54 -9.879 10.122 -0.438 1.00 0.77 C ATOM 861 O ILE A 54 -10.334 9.365 -1.270 1.00 0.76 O ATOM 862 CB ILE A 54 -11.510 11.801 0.429 1.00 0.94 C ATOM 863 CG1 ILE A 54 -12.542 12.056 1.532 1.00 1.04 C ATOM 864 CG2 ILE A 54 -12.228 11.593 -0.905 1.00 0.93 C ATOM 865 CD1 ILE A 54 -13.667 11.023 1.432 1.00 1.07 C ATOM 0 H ILE A 54 -9.693 11.840 2.147 1.00 0.87 H new ATOM 0 HA ILE A 54 -11.381 9.751 1.061 1.00 0.85 H new ATOM 0 HB ILE A 54 -10.842 12.658 0.348 1.00 0.94 H new ATOM 0 HG12 ILE A 54 -12.066 11.996 2.511 1.00 1.04 H new ATOM 0 HG13 ILE A 54 -12.949 13.063 1.437 1.00 1.04 H new ATOM 0 HG21 ILE A 54 -12.806 12.484 -1.150 1.00 0.93 H new ATOM 0 HG22 ILE A 54 -11.493 11.410 -1.689 1.00 0.93 H new ATOM 0 HG23 ILE A 54 -12.898 10.736 -0.828 1.00 0.93 H new ATOM 0 HD11 ILE A 54 -14.400 11.206 2.218 1.00 1.07 H new ATOM 0 HD12 ILE A 54 -14.150 11.105 0.458 1.00 1.07 H new ATOM 0 HD13 ILE A 54 -13.253 10.022 1.549 1.00 1.07 H new ATOM 877 N GLU A 55 -8.668 10.589 -0.541 1.00 0.74 N ATOM 878 CA GLU A 55 -7.823 10.190 -1.695 1.00 0.69 C ATOM 879 C GLU A 55 -7.361 8.747 -1.488 1.00 0.61 C ATOM 880 O GLU A 55 -7.202 7.992 -2.427 1.00 0.61 O ATOM 881 CB GLU A 55 -6.608 11.113 -1.784 1.00 0.72 C ATOM 882 CG GLU A 55 -5.985 10.999 -3.175 1.00 0.74 C ATOM 883 CD GLU A 55 -6.991 11.475 -4.225 1.00 1.27 C ATOM 884 OE1 GLU A 55 -7.202 12.674 -4.314 1.00 1.90 O ATOM 885 OE2 GLU A 55 -7.533 10.634 -4.922 1.00 1.82 O ATOM 0 H GLU A 55 -8.229 11.228 0.122 1.00 0.74 H new ATOM 0 HA GLU A 55 -8.395 10.267 -2.620 1.00 0.69 H new ATOM 0 HB2 GLU A 55 -6.905 12.144 -1.590 1.00 0.72 H new ATOM 0 HB3 GLU A 55 -5.876 10.844 -1.022 1.00 0.72 H new ATOM 0 HG2 GLU A 55 -5.076 11.599 -3.228 1.00 0.74 H new ATOM 0 HG3 GLU A 55 -5.698 9.966 -3.373 1.00 0.74 H new ATOM 892 N ALA A 56 -7.153 8.357 -0.259 1.00 0.60 N ATOM 893 CA ALA A 56 -6.708 6.959 0.020 1.00 0.56 C ATOM 894 C ALA A 56 -7.922 6.031 0.050 1.00 0.61 C ATOM 895 O ALA A 56 -7.803 4.837 -0.131 1.00 0.61 O ATOM 896 CB ALA A 56 -5.999 6.909 1.373 1.00 0.58 C ATOM 0 H ALA A 56 -7.272 8.946 0.565 1.00 0.60 H new ATOM 0 HA ALA A 56 -6.022 6.636 -0.763 1.00 0.56 H new ATOM 0 HB1 ALA A 56 -5.674 5.888 1.576 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -5.131 7.569 1.354 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -6.685 7.234 2.155 1.00 0.58 H new ATOM 902 N GLU A 57 -9.090 6.566 0.270 1.00 0.69 N ATOM 903 CA GLU A 57 -10.302 5.702 0.299 1.00 0.76 C ATOM 904 C GLU A 57 -10.747 5.430 -1.138 1.00 0.75 C ATOM 905 O GLU A 57 -10.879 4.295 -1.556 1.00 0.77 O ATOM 906 CB GLU A 57 -11.425 6.416 1.057 1.00 0.87 C ATOM 907 CG GLU A 57 -11.747 5.651 2.342 1.00 1.12 C ATOM 908 CD GLU A 57 -13.035 6.202 2.956 1.00 1.32 C ATOM 909 OE1 GLU A 57 -14.098 5.757 2.555 1.00 1.85 O ATOM 910 OE2 GLU A 57 -12.938 7.060 3.818 1.00 1.89 O ATOM 0 H GLU A 57 -9.257 7.559 0.430 1.00 0.69 H new ATOM 0 HA GLU A 57 -10.074 4.762 0.802 1.00 0.76 H new ATOM 0 HB2 GLU A 57 -11.124 7.436 1.295 1.00 0.87 H new ATOM 0 HB3 GLU A 57 -12.314 6.484 0.430 1.00 0.87 H new ATOM 0 HG2 GLU A 57 -11.860 4.589 2.126 1.00 1.12 H new ATOM 0 HG3 GLU A 57 -10.924 5.747 3.050 1.00 1.12 H new ATOM 917 N GLU A 58 -10.971 6.465 -1.899 1.00 0.74 N ATOM 918 CA GLU A 58 -11.399 6.273 -3.313 1.00 0.77 C ATOM 919 C GLU A 58 -10.358 5.427 -4.052 1.00 0.71 C ATOM 920 O GLU A 58 -10.687 4.632 -4.910 1.00 0.75 O ATOM 921 CB GLU A 58 -11.525 7.638 -3.995 1.00 0.80 C ATOM 922 CG GLU A 58 -12.928 8.201 -3.760 1.00 1.44 C ATOM 923 CD GLU A 58 -13.814 7.888 -4.967 1.00 2.03 C ATOM 924 OE1 GLU A 58 -13.744 8.625 -5.936 1.00 2.72 O ATOM 925 OE2 GLU A 58 -14.549 6.916 -4.901 1.00 2.54 O ATOM 0 H GLU A 58 -10.876 7.436 -1.603 1.00 0.74 H new ATOM 0 HA GLU A 58 -12.362 5.763 -3.336 1.00 0.77 H new ATOM 0 HB2 GLU A 58 -10.776 8.324 -3.600 1.00 0.80 H new ATOM 0 HB3 GLU A 58 -11.335 7.541 -5.064 1.00 0.80 H new ATOM 0 HG2 GLU A 58 -13.359 7.767 -2.858 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -12.877 9.278 -3.603 1.00 1.44 H new ATOM 932 N ALA A 59 -9.102 5.592 -3.729 1.00 0.65 N ATOM 933 CA ALA A 59 -8.043 4.797 -4.416 1.00 0.63 C ATOM 934 C ALA A 59 -8.061 3.360 -3.895 1.00 0.63 C ATOM 935 O ALA A 59 -8.066 2.413 -4.656 1.00 0.69 O ATOM 936 CB ALA A 59 -6.673 5.419 -4.137 1.00 0.57 C ATOM 0 H ALA A 59 -8.764 6.243 -3.020 1.00 0.65 H new ATOM 0 HA ALA A 59 -8.232 4.798 -5.489 1.00 0.63 H new ATOM 0 HB1 ALA A 59 -5.900 4.837 -4.639 1.00 0.57 H new ATOM 0 HB2 ALA A 59 -6.656 6.443 -4.509 1.00 0.57 H new ATOM 0 HB3 ALA A 59 -6.486 5.420 -3.063 1.00 0.57 H new ATOM 942 N ILE A 60 -8.065 3.189 -2.603 1.00 0.61 N ATOM 943 CA ILE A 60 -8.078 1.810 -2.037 1.00 0.66 C ATOM 944 C ILE A 60 -9.142 0.969 -2.754 1.00 0.73 C ATOM 945 O ILE A 60 -9.063 -0.242 -2.791 1.00 0.83 O ATOM 946 CB ILE A 60 -8.394 1.876 -0.537 1.00 0.69 C ATOM 947 CG1 ILE A 60 -7.137 2.294 0.229 1.00 0.69 C ATOM 948 CG2 ILE A 60 -8.851 0.502 -0.038 1.00 0.80 C ATOM 949 CD1 ILE A 60 -7.527 2.770 1.629 1.00 0.85 C ATOM 0 H ILE A 60 -8.060 3.942 -1.915 1.00 0.61 H new ATOM 0 HA ILE A 60 -7.101 1.349 -2.180 1.00 0.66 H new ATOM 0 HB ILE A 60 -9.189 2.603 -0.372 1.00 0.69 H new ATOM 0 HG12 ILE A 60 -6.445 1.455 0.298 1.00 0.69 H new ATOM 0 HG13 ILE A 60 -6.620 3.090 -0.306 1.00 0.69 H new ATOM 0 HG21 ILE A 60 -9.073 0.557 1.028 1.00 0.80 H new ATOM 0 HG22 ILE A 60 -9.746 0.197 -0.580 1.00 0.80 H new ATOM 0 HG23 ILE A 60 -8.059 -0.228 -0.206 1.00 0.80 H new ATOM 0 HD11 ILE A 60 -6.632 3.068 2.175 1.00 0.85 H new ATOM 0 HD12 ILE A 60 -8.203 3.621 1.549 1.00 0.85 H new ATOM 0 HD13 ILE A 60 -8.025 1.961 2.163 1.00 0.85 H new ATOM 961 N LYS A 61 -10.141 1.596 -3.313 1.00 0.79 N ATOM 962 CA LYS A 61 -11.207 0.819 -4.011 1.00 0.88 C ATOM 963 C LYS A 61 -10.829 0.596 -5.479 1.00 0.90 C ATOM 964 O LYS A 61 -11.148 -0.422 -6.061 1.00 1.04 O ATOM 965 CB LYS A 61 -12.527 1.589 -3.938 1.00 0.99 C ATOM 966 CG LYS A 61 -13.380 1.031 -2.797 1.00 1.42 C ATOM 967 CD LYS A 61 -14.863 1.193 -3.140 1.00 1.93 C ATOM 968 CE LYS A 61 -15.682 1.261 -1.850 1.00 2.46 C ATOM 969 NZ LYS A 61 -16.934 0.471 -2.013 1.00 2.95 N ATOM 0 H LYS A 61 -10.266 2.608 -3.317 1.00 0.79 H new ATOM 0 HA LYS A 61 -11.315 -0.150 -3.523 1.00 0.88 H new ATOM 0 HB2 LYS A 61 -12.333 2.649 -3.777 1.00 0.99 H new ATOM 0 HB3 LYS A 61 -13.063 1.503 -4.883 1.00 0.99 H new ATOM 0 HG2 LYS A 61 -13.146 -0.021 -2.635 1.00 1.42 H new ATOM 0 HG3 LYS A 61 -13.151 1.554 -1.869 1.00 1.42 H new ATOM 0 HD2 LYS A 61 -15.014 2.099 -3.727 1.00 1.93 H new ATOM 0 HD3 LYS A 61 -15.199 0.356 -3.753 1.00 1.93 H new ATOM 0 HE2 LYS A 61 -15.099 0.870 -1.016 1.00 2.46 H new ATOM 0 HE3 LYS A 61 -15.922 2.298 -1.613 1.00 2.46 H new ATOM 0 HZ1 LYS A 61 -17.491 0.518 -1.136 1.00 2.95 H new ATOM 0 HZ2 LYS A 61 -17.492 0.863 -2.798 1.00 2.95 H new ATOM 0 HZ3 LYS A 61 -16.695 -0.520 -2.219 1.00 2.95 H new ATOM 983 N GLY A 62 -10.165 1.540 -6.088 1.00 0.88 N ATOM 984 CA GLY A 62 -9.787 1.376 -7.521 1.00 0.98 C ATOM 985 C GLY A 62 -8.470 0.603 -7.642 1.00 0.87 C ATOM 986 O GLY A 62 -7.907 0.494 -8.714 1.00 0.95 O ATOM 0 H GLY A 62 -9.868 2.416 -5.657 1.00 0.88 H new ATOM 0 HA2 GLY A 62 -10.577 0.846 -8.053 1.00 0.98 H new ATOM 0 HA3 GLY A 62 -9.686 2.354 -7.991 1.00 0.98 H new ATOM 990 N LEU A 63 -7.969 0.064 -6.562 1.00 0.77 N ATOM 991 CA LEU A 63 -6.686 -0.695 -6.646 1.00 0.74 C ATOM 992 C LEU A 63 -6.809 -2.023 -5.893 1.00 0.78 C ATOM 993 O LEU A 63 -6.418 -3.061 -6.390 1.00 0.93 O ATOM 994 CB LEU A 63 -5.558 0.133 -6.026 1.00 0.70 C ATOM 995 CG LEU A 63 -5.082 1.197 -7.023 1.00 0.78 C ATOM 996 CD1 LEU A 63 -3.797 1.847 -6.507 1.00 0.82 C ATOM 997 CD2 LEU A 63 -4.801 0.544 -8.379 1.00 0.89 C ATOM 0 H LEU A 63 -8.388 0.115 -5.633 1.00 0.77 H new ATOM 0 HA LEU A 63 -6.463 -0.895 -7.694 1.00 0.74 H new ATOM 0 HB2 LEU A 63 -5.907 0.610 -5.110 1.00 0.70 H new ATOM 0 HB3 LEU A 63 -4.727 -0.517 -5.750 1.00 0.70 H new ATOM 0 HG LEU A 63 -5.858 1.954 -7.134 1.00 0.78 H new ATOM 0 HD11 LEU A 63 -3.461 2.603 -7.217 1.00 0.82 H new ATOM 0 HD12 LEU A 63 -3.989 2.316 -5.542 1.00 0.82 H new ATOM 0 HD13 LEU A 63 -3.025 1.086 -6.394 1.00 0.82 H new ATOM 0 HD21 LEU A 63 -4.463 1.303 -9.085 1.00 0.89 H new ATOM 0 HD22 LEU A 63 -4.027 -0.215 -8.264 1.00 0.89 H new ATOM 0 HD23 LEU A 63 -5.712 0.079 -8.755 1.00 0.89 H new ATOM 1009 N ASN A 64 -7.339 -1.995 -4.698 1.00 0.75 N ATOM 1010 CA ASN A 64 -7.481 -3.257 -3.903 1.00 0.85 C ATOM 1011 C ASN A 64 -7.894 -4.406 -4.828 1.00 1.05 C ATOM 1012 O ASN A 64 -8.752 -4.251 -5.673 1.00 1.30 O ATOM 1013 CB ASN A 64 -8.556 -3.060 -2.827 1.00 1.06 C ATOM 1014 CG ASN A 64 -8.965 -4.416 -2.246 1.00 1.64 C ATOM 1015 OD1 ASN A 64 -8.450 -4.835 -1.229 1.00 2.43 O ATOM 1016 ND2 ASN A 64 -9.877 -5.123 -2.855 1.00 2.13 N ATOM 0 H ASN A 64 -7.681 -1.153 -4.235 1.00 0.75 H new ATOM 0 HA ASN A 64 -6.528 -3.497 -3.432 1.00 0.85 H new ATOM 0 HB2 ASN A 64 -8.176 -2.415 -2.035 1.00 1.06 H new ATOM 0 HB3 ASN A 64 -9.425 -2.561 -3.256 1.00 1.06 H new ATOM 0 HD21 ASN A 64 -10.158 -6.028 -2.477 1.00 2.13 H new ATOM 0 HD22 ASN A 64 -10.309 -4.771 -3.709 1.00 2.13 H new ATOM 1023 N GLY A 65 -7.289 -5.559 -4.681 1.00 1.14 N ATOM 1024 CA GLY A 65 -7.656 -6.702 -5.564 1.00 1.53 C ATOM 1025 C GLY A 65 -8.441 -7.739 -4.760 1.00 1.29 C ATOM 1026 O GLY A 65 -9.646 -7.656 -4.635 1.00 2.07 O ATOM 0 H GLY A 65 -6.563 -5.755 -3.992 1.00 1.14 H new ATOM 0 HA2 GLY A 65 -8.255 -6.349 -6.404 1.00 1.53 H new ATOM 0 HA3 GLY A 65 -6.757 -7.155 -5.982 1.00 1.53 H new ATOM 1030 N GLN A 66 -7.769 -8.716 -4.217 1.00 1.08 N ATOM 1031 CA GLN A 66 -8.490 -9.757 -3.423 1.00 1.51 C ATOM 1032 C GLN A 66 -7.510 -10.496 -2.507 1.00 1.60 C ATOM 1033 O GLN A 66 -6.313 -10.299 -2.569 1.00 2.16 O ATOM 1034 CB GLN A 66 -9.156 -10.757 -4.373 1.00 2.55 C ATOM 1035 CG GLN A 66 -8.195 -11.105 -5.511 1.00 3.22 C ATOM 1036 CD GLN A 66 -8.457 -12.539 -5.977 1.00 4.11 C ATOM 1037 OE1 GLN A 66 -7.595 -13.170 -6.553 1.00 4.69 O ATOM 1038 NE2 GLN A 66 -9.622 -13.083 -5.749 1.00 4.64 N ATOM 0 H GLN A 66 -6.759 -8.841 -4.286 1.00 1.08 H new ATOM 0 HA GLN A 66 -9.250 -9.272 -2.811 1.00 1.51 H new ATOM 0 HB2 GLN A 66 -9.434 -11.660 -3.830 1.00 2.55 H new ATOM 0 HB3 GLN A 66 -10.075 -10.333 -4.777 1.00 2.55 H new ATOM 0 HG2 GLN A 66 -8.330 -10.411 -6.341 1.00 3.22 H new ATOM 0 HG3 GLN A 66 -7.163 -11.003 -5.175 1.00 3.22 H new ATOM 0 HE21 GLN A 66 -10.346 -12.553 -5.265 1.00 4.64 H new ATOM 0 HE22 GLN A 66 -9.807 -14.038 -6.055 1.00 4.64 H new ATOM 1047 N LYS A 67 -8.018 -11.346 -1.652 1.00 1.77 N ATOM 1048 CA LYS A 67 -7.129 -12.106 -0.724 1.00 2.39 C ATOM 1049 C LYS A 67 -7.877 -13.335 -0.191 1.00 2.80 C ATOM 1050 O LYS A 67 -8.704 -13.215 0.691 1.00 3.09 O ATOM 1051 CB LYS A 67 -6.730 -11.206 0.446 1.00 2.84 C ATOM 1052 CG LYS A 67 -7.943 -10.394 0.903 1.00 3.76 C ATOM 1053 CD LYS A 67 -8.192 -10.642 2.391 1.00 4.75 C ATOM 1054 CE LYS A 67 -9.644 -11.077 2.598 1.00 5.59 C ATOM 1055 NZ LYS A 67 -9.777 -11.754 3.919 1.00 6.53 N ATOM 0 H LYS A 67 -9.013 -11.547 -1.557 1.00 1.77 H new ATOM 0 HA LYS A 67 -6.235 -12.429 -1.258 1.00 2.39 H new ATOM 0 HB2 LYS A 67 -6.352 -11.810 1.271 1.00 2.84 H new ATOM 0 HB3 LYS A 67 -5.924 -10.537 0.145 1.00 2.84 H new ATOM 0 HG2 LYS A 67 -7.772 -9.333 0.724 1.00 3.76 H new ATOM 0 HG3 LYS A 67 -8.822 -10.677 0.324 1.00 3.76 H new ATOM 0 HD2 LYS A 67 -7.514 -11.411 2.761 1.00 4.75 H new ATOM 0 HD3 LYS A 67 -7.988 -9.736 2.961 1.00 4.75 H new ATOM 0 HE2 LYS A 67 -10.304 -10.211 2.553 1.00 5.59 H new ATOM 0 HE3 LYS A 67 -9.950 -11.752 1.799 1.00 5.59 H new ATOM 0 HZ1 LYS A 67 -10.764 -12.050 4.060 1.00 6.53 H new ATOM 0 HZ2 LYS A 67 -9.158 -12.590 3.945 1.00 6.53 H new ATOM 0 HZ3 LYS A 67 -9.502 -11.096 4.676 1.00 6.53 H new ATOM 1069 N PRO A 68 -7.564 -14.482 -0.740 1.00 3.14 N ATOM 1070 CA PRO A 68 -8.192 -15.752 -0.333 1.00 3.69 C ATOM 1071 C PRO A 68 -7.596 -16.239 0.984 1.00 3.42 C ATOM 1072 O PRO A 68 -6.765 -15.586 1.579 1.00 3.09 O ATOM 1073 CB PRO A 68 -7.846 -16.709 -1.476 1.00 4.36 C ATOM 1074 CG PRO A 68 -6.597 -16.121 -2.172 1.00 4.20 C ATOM 1075 CD PRO A 68 -6.556 -14.624 -1.812 1.00 3.40 C ATOM 0 HA PRO A 68 -9.266 -15.666 -0.169 1.00 3.69 H new ATOM 0 HB2 PRO A 68 -7.644 -17.711 -1.097 1.00 4.36 H new ATOM 0 HB3 PRO A 68 -8.677 -16.795 -2.176 1.00 4.36 H new ATOM 0 HG2 PRO A 68 -5.692 -16.626 -1.834 1.00 4.20 H new ATOM 0 HG3 PRO A 68 -6.655 -16.258 -3.252 1.00 4.20 H new ATOM 0 HD2 PRO A 68 -5.566 -14.323 -1.470 1.00 3.40 H new ATOM 0 HD3 PRO A 68 -6.799 -14.000 -2.672 1.00 3.40 H new ATOM 1083 N LEU A 69 -8.022 -17.380 1.443 1.00 3.81 N ATOM 1084 CA LEU A 69 -7.485 -17.917 2.726 1.00 3.76 C ATOM 1085 C LEU A 69 -5.973 -17.708 2.772 1.00 3.45 C ATOM 1086 O LEU A 69 -5.419 -17.345 3.790 1.00 3.79 O ATOM 1087 CB LEU A 69 -7.801 -19.409 2.828 1.00 4.40 C ATOM 1088 CG LEU A 69 -7.304 -19.947 4.170 1.00 4.88 C ATOM 1089 CD1 LEU A 69 -8.476 -20.555 4.943 1.00 5.57 C ATOM 1090 CD2 LEU A 69 -6.241 -21.020 3.925 1.00 5.28 C ATOM 0 H LEU A 69 -8.720 -17.967 0.986 1.00 3.81 H new ATOM 0 HA LEU A 69 -7.948 -17.393 3.562 1.00 3.76 H new ATOM 0 HB2 LEU A 69 -8.875 -19.571 2.735 1.00 4.40 H new ATOM 0 HB3 LEU A 69 -7.325 -19.949 2.009 1.00 4.40 H new ATOM 0 HG LEU A 69 -6.872 -19.132 4.751 1.00 4.88 H new ATOM 0 HD11 LEU A 69 -8.121 -20.938 5.900 1.00 5.57 H new ATOM 0 HD12 LEU A 69 -9.233 -19.790 5.117 1.00 5.57 H new ATOM 0 HD13 LEU A 69 -8.910 -21.370 4.364 1.00 5.57 H new ATOM 0 HD21 LEU A 69 -5.885 -21.405 4.881 1.00 5.28 H new ATOM 0 HD22 LEU A 69 -6.673 -21.835 3.344 1.00 5.28 H new ATOM 0 HD23 LEU A 69 -5.406 -20.586 3.375 1.00 5.28 H new ATOM 1102 N GLY A 70 -5.302 -17.920 1.675 1.00 3.29 N ATOM 1103 CA GLY A 70 -3.828 -17.714 1.658 1.00 3.33 C ATOM 1104 C GLY A 70 -3.544 -16.247 1.341 1.00 2.88 C ATOM 1105 O GLY A 70 -2.685 -15.927 0.542 1.00 3.14 O ATOM 0 H GLY A 70 -5.709 -18.226 0.792 1.00 3.29 H new ATOM 0 HA2 GLY A 70 -3.397 -17.983 2.623 1.00 3.33 H new ATOM 0 HA3 GLY A 70 -3.365 -18.359 0.911 1.00 3.33 H new ATOM 1109 N ALA A 71 -4.268 -15.350 1.957 1.00 2.43 N ATOM 1110 CA ALA A 71 -4.051 -13.900 1.688 1.00 2.04 C ATOM 1111 C ALA A 71 -2.551 -13.608 1.637 1.00 1.88 C ATOM 1112 O ALA A 71 -1.878 -13.581 2.648 1.00 2.18 O ATOM 1113 CB ALA A 71 -4.699 -13.070 2.797 1.00 1.99 C ATOM 0 H ALA A 71 -5.000 -15.560 2.635 1.00 2.43 H new ATOM 0 HA ALA A 71 -4.503 -13.638 0.731 1.00 2.04 H new ATOM 0 HB1 ALA A 71 -4.539 -12.010 2.599 1.00 1.99 H new ATOM 0 HB2 ALA A 71 -5.769 -13.276 2.828 1.00 1.99 H new ATOM 0 HB3 ALA A 71 -4.251 -13.331 3.756 1.00 1.99 H new ATOM 1119 N ALA A 72 -2.022 -13.392 0.463 1.00 1.67 N ATOM 1120 CA ALA A 72 -0.565 -13.103 0.346 1.00 1.90 C ATOM 1121 C ALA A 72 -0.142 -13.087 -1.128 1.00 1.84 C ATOM 1122 O ALA A 72 0.826 -12.451 -1.493 1.00 2.11 O ATOM 1123 CB ALA A 72 0.220 -14.189 1.080 1.00 2.23 C ATOM 0 H ALA A 72 -2.535 -13.403 -0.418 1.00 1.67 H new ATOM 0 HA ALA A 72 -0.360 -12.127 0.785 1.00 1.90 H new ATOM 0 HB1 ALA A 72 1.287 -13.984 0.999 1.00 2.23 H new ATOM 0 HB2 ALA A 72 -0.069 -14.199 2.131 1.00 2.23 H new ATOM 0 HB3 ALA A 72 0.002 -15.160 0.635 1.00 2.23 H new ATOM 1129 N GLU A 73 -0.842 -13.795 -1.974 1.00 1.64 N ATOM 1130 CA GLU A 73 -0.448 -13.827 -3.417 1.00 1.67 C ATOM 1131 C GLU A 73 -1.039 -12.637 -4.194 1.00 1.37 C ATOM 1132 O GLU A 73 -0.340 -12.002 -4.958 1.00 1.54 O ATOM 1133 CB GLU A 73 -0.910 -15.140 -4.058 1.00 2.12 C ATOM 1134 CG GLU A 73 -0.091 -15.402 -5.324 1.00 2.25 C ATOM 1135 CD GLU A 73 -1.014 -15.381 -6.543 1.00 2.89 C ATOM 1136 OE1 GLU A 73 -1.608 -16.408 -6.830 1.00 3.40 O ATOM 1137 OE2 GLU A 73 -1.113 -14.339 -7.170 1.00 3.33 O ATOM 0 H GLU A 73 -1.664 -14.349 -1.733 1.00 1.64 H new ATOM 0 HA GLU A 73 0.639 -13.756 -3.464 1.00 1.67 H new ATOM 0 HB2 GLU A 73 -0.787 -15.964 -3.355 1.00 2.12 H new ATOM 0 HB3 GLU A 73 -1.971 -15.085 -4.302 1.00 2.12 H new ATOM 0 HG2 GLU A 73 0.686 -14.645 -5.430 1.00 2.25 H new ATOM 0 HG3 GLU A 73 0.411 -16.367 -5.252 1.00 2.25 H new ATOM 1144 N PRO A 74 -2.305 -12.377 -3.994 1.00 1.08 N ATOM 1145 CA PRO A 74 -3.010 -11.280 -4.682 1.00 0.91 C ATOM 1146 C PRO A 74 -2.704 -9.937 -4.019 1.00 0.87 C ATOM 1147 O PRO A 74 -1.931 -9.851 -3.089 1.00 1.16 O ATOM 1148 CB PRO A 74 -4.486 -11.643 -4.517 1.00 0.93 C ATOM 1149 CG PRO A 74 -4.567 -12.579 -3.289 1.00 1.09 C ATOM 1150 CD PRO A 74 -3.151 -13.141 -3.065 1.00 1.16 C ATOM 0 HA PRO A 74 -2.713 -11.173 -5.725 1.00 0.91 H new ATOM 0 HB2 PRO A 74 -5.092 -10.750 -4.366 1.00 0.93 H new ATOM 0 HB3 PRO A 74 -4.867 -12.139 -5.410 1.00 0.93 H new ATOM 0 HG2 PRO A 74 -4.910 -12.034 -2.410 1.00 1.09 H new ATOM 0 HG3 PRO A 74 -5.280 -13.385 -3.463 1.00 1.09 H new ATOM 0 HD2 PRO A 74 -2.829 -13.007 -2.032 1.00 1.16 H new ATOM 0 HD3 PRO A 74 -3.109 -14.210 -3.276 1.00 1.16 H new ATOM 1158 N ILE A 75 -3.305 -8.890 -4.503 1.00 0.79 N ATOM 1159 CA ILE A 75 -3.056 -7.539 -3.920 1.00 0.85 C ATOM 1160 C ILE A 75 -4.157 -7.182 -2.919 1.00 0.84 C ATOM 1161 O ILE A 75 -5.260 -7.691 -2.977 1.00 0.89 O ATOM 1162 CB ILE A 75 -3.080 -6.502 -5.029 1.00 0.92 C ATOM 1163 CG1 ILE A 75 -4.443 -6.561 -5.708 1.00 0.87 C ATOM 1164 CG2 ILE A 75 -1.974 -6.778 -6.050 1.00 1.07 C ATOM 1165 CD1 ILE A 75 -4.955 -5.145 -5.934 1.00 0.94 C ATOM 0 H ILE A 75 -3.963 -8.909 -5.282 1.00 0.79 H new ATOM 0 HA ILE A 75 -2.088 -7.551 -3.419 1.00 0.85 H new ATOM 0 HB ILE A 75 -2.909 -5.511 -4.609 1.00 0.92 H new ATOM 0 HG12 ILE A 75 -4.366 -7.088 -6.659 1.00 0.87 H new ATOM 0 HG13 ILE A 75 -5.146 -7.120 -5.090 1.00 0.87 H new ATOM 0 HG21 ILE A 75 -2.008 -6.024 -6.836 1.00 1.07 H new ATOM 0 HG22 ILE A 75 -1.004 -6.742 -5.554 1.00 1.07 H new ATOM 0 HG23 ILE A 75 -2.121 -7.765 -6.488 1.00 1.07 H new ATOM 0 HD11 ILE A 75 -5.930 -5.184 -6.420 1.00 0.94 H new ATOM 0 HD12 ILE A 75 -5.047 -4.634 -4.976 1.00 0.94 H new ATOM 0 HD13 ILE A 75 -4.255 -4.602 -6.569 1.00 0.94 H new ATOM 1177 N THR A 76 -3.870 -6.285 -2.017 1.00 0.82 N ATOM 1178 CA THR A 76 -4.895 -5.872 -1.016 1.00 0.85 C ATOM 1179 C THR A 76 -4.516 -4.511 -0.428 1.00 0.80 C ATOM 1180 O THR A 76 -3.927 -4.425 0.631 1.00 0.97 O ATOM 1181 CB THR A 76 -4.959 -6.911 0.106 1.00 0.94 C ATOM 1182 OG1 THR A 76 -5.188 -8.197 -0.453 1.00 1.07 O ATOM 1183 CG2 THR A 76 -6.097 -6.560 1.066 1.00 0.98 C ATOM 0 H THR A 76 -2.967 -5.818 -1.929 1.00 0.82 H new ATOM 0 HA THR A 76 -5.868 -5.800 -1.502 1.00 0.85 H new ATOM 0 HB THR A 76 -4.015 -6.915 0.651 1.00 0.94 H new ATOM 0 HG1 THR A 76 -5.712 -8.107 -1.276 1.00 1.07 H new ATOM 0 HG21 THR A 76 -6.141 -7.301 1.864 1.00 0.98 H new ATOM 0 HG22 THR A 76 -5.920 -5.574 1.495 1.00 0.98 H new ATOM 0 HG23 THR A 76 -7.042 -6.555 0.523 1.00 0.98 H new ATOM 1191 N VAL A 77 -4.847 -3.446 -1.106 1.00 0.72 N ATOM 1192 CA VAL A 77 -4.501 -2.093 -0.582 1.00 0.67 C ATOM 1193 C VAL A 77 -5.559 -1.647 0.428 1.00 0.69 C ATOM 1194 O VAL A 77 -6.489 -0.938 0.098 1.00 0.75 O ATOM 1195 CB VAL A 77 -4.439 -1.093 -1.740 1.00 0.66 C ATOM 1196 CG1 VAL A 77 -5.726 -1.177 -2.557 1.00 0.68 C ATOM 1197 CG2 VAL A 77 -4.280 0.325 -1.184 1.00 0.67 C ATOM 0 H VAL A 77 -5.341 -3.453 -1.998 1.00 0.72 H new ATOM 0 HA VAL A 77 -3.529 -2.134 -0.090 1.00 0.67 H new ATOM 0 HB VAL A 77 -3.588 -1.331 -2.378 1.00 0.66 H new ATOM 0 HG11 VAL A 77 -5.681 -0.465 -3.381 1.00 0.68 H new ATOM 0 HG12 VAL A 77 -5.839 -2.185 -2.955 1.00 0.68 H new ATOM 0 HG13 VAL A 77 -6.578 -0.941 -1.919 1.00 0.68 H new ATOM 0 HG21 VAL A 77 -4.236 1.036 -2.009 1.00 0.67 H new ATOM 0 HG22 VAL A 77 -5.130 0.563 -0.545 1.00 0.67 H new ATOM 0 HG23 VAL A 77 -3.360 0.387 -0.602 1.00 0.67 H new ATOM 1207 N LYS A 78 -5.418 -2.051 1.661 1.00 0.77 N ATOM 1208 CA LYS A 78 -6.407 -1.648 2.698 1.00 0.81 C ATOM 1209 C LYS A 78 -5.744 -0.671 3.672 1.00 0.79 C ATOM 1210 O LYS A 78 -4.549 -0.712 3.889 1.00 0.83 O ATOM 1211 CB LYS A 78 -6.885 -2.886 3.458 1.00 0.91 C ATOM 1212 CG LYS A 78 -7.937 -3.620 2.624 1.00 1.43 C ATOM 1213 CD LYS A 78 -8.361 -4.898 3.348 1.00 1.81 C ATOM 1214 CE LYS A 78 -9.019 -4.534 4.679 1.00 2.54 C ATOM 1215 NZ LYS A 78 -9.504 -5.774 5.348 1.00 3.00 N ATOM 0 H LYS A 78 -4.658 -2.644 1.995 1.00 0.77 H new ATOM 0 HA LYS A 78 -7.262 -1.167 2.223 1.00 0.81 H new ATOM 0 HB2 LYS A 78 -6.043 -3.547 3.665 1.00 0.91 H new ATOM 0 HB3 LYS A 78 -7.306 -2.595 4.420 1.00 0.91 H new ATOM 0 HG2 LYS A 78 -8.802 -2.977 2.463 1.00 1.43 H new ATOM 0 HG3 LYS A 78 -7.533 -3.863 1.641 1.00 1.43 H new ATOM 0 HD2 LYS A 78 -9.056 -5.466 2.729 1.00 1.81 H new ATOM 0 HD3 LYS A 78 -7.494 -5.536 3.521 1.00 1.81 H new ATOM 0 HE2 LYS A 78 -8.305 -4.017 5.321 1.00 2.54 H new ATOM 0 HE3 LYS A 78 -9.850 -3.850 4.511 1.00 2.54 H new ATOM 0 HZ1 LYS A 78 -9.952 -5.527 6.254 1.00 3.00 H new ATOM 0 HZ2 LYS A 78 -10.198 -6.250 4.737 1.00 3.00 H new ATOM 0 HZ3 LYS A 78 -8.701 -6.412 5.521 1.00 3.00 H new ATOM 1229 N PHE A 79 -6.506 0.212 4.255 1.00 0.81 N ATOM 1230 CA PHE A 79 -5.913 1.194 5.206 1.00 0.82 C ATOM 1231 C PHE A 79 -4.994 0.478 6.196 1.00 0.88 C ATOM 1232 O PHE A 79 -5.299 -0.590 6.688 1.00 0.97 O ATOM 1233 CB PHE A 79 -7.029 1.914 5.962 1.00 0.89 C ATOM 1234 CG PHE A 79 -7.578 3.012 5.085 1.00 0.86 C ATOM 1235 CD1 PHE A 79 -6.748 4.070 4.696 1.00 1.35 C ATOM 1236 CD2 PHE A 79 -8.909 2.971 4.653 1.00 1.60 C ATOM 1237 CE1 PHE A 79 -7.247 5.087 3.875 1.00 1.34 C ATOM 1238 CE2 PHE A 79 -9.409 3.990 3.832 1.00 1.62 C ATOM 1239 CZ PHE A 79 -8.576 5.047 3.443 1.00 0.87 C ATOM 0 H PHE A 79 -7.513 0.296 4.114 1.00 0.81 H new ATOM 0 HA PHE A 79 -5.327 1.923 4.646 1.00 0.82 H new ATOM 0 HB2 PHE A 79 -7.819 1.212 6.228 1.00 0.89 H new ATOM 0 HB3 PHE A 79 -6.646 2.331 6.894 1.00 0.89 H new ATOM 0 HD1 PHE A 79 -5.721 4.101 5.030 1.00 1.35 H new ATOM 0 HD2 PHE A 79 -9.550 2.155 4.952 1.00 1.60 H new ATOM 0 HE1 PHE A 79 -6.606 5.903 3.575 1.00 1.34 H new ATOM 0 HE2 PHE A 79 -10.436 3.961 3.499 1.00 1.62 H new ATOM 0 HZ PHE A 79 -8.961 5.832 2.809 1.00 0.87 H new ATOM 1249 N ALA A 80 -3.864 1.064 6.482 1.00 0.90 N ATOM 1250 CA ALA A 80 -2.906 0.433 7.432 1.00 0.99 C ATOM 1251 C ALA A 80 -3.303 0.763 8.871 1.00 1.25 C ATOM 1252 O ALA A 80 -3.174 1.886 9.316 1.00 1.59 O ATOM 1253 CB ALA A 80 -1.502 0.977 7.166 1.00 0.97 C ATOM 0 H ALA A 80 -3.562 1.958 6.096 1.00 0.90 H new ATOM 0 HA ALA A 80 -2.923 -0.648 7.291 1.00 0.99 H new ATOM 0 HB1 ALA A 80 -0.797 0.518 7.859 1.00 0.97 H new ATOM 0 HB2 ALA A 80 -1.209 0.743 6.142 1.00 0.97 H new ATOM 0 HB3 ALA A 80 -1.498 2.058 7.307 1.00 0.97 H new ATOM 1259 N ASN A 81 -3.773 -0.205 9.607 1.00 1.36 N ATOM 1260 CA ASN A 81 -4.159 0.062 11.020 1.00 1.66 C ATOM 1261 C ASN A 81 -3.044 0.869 11.691 1.00 1.26 C ATOM 1262 O ASN A 81 -3.283 1.660 12.582 1.00 1.70 O ATOM 1263 CB ASN A 81 -4.349 -1.266 11.755 1.00 2.69 C ATOM 1264 CG ASN A 81 -5.224 -1.050 12.992 1.00 3.55 C ATOM 1265 OD1 ASN A 81 -5.547 0.069 13.334 1.00 3.97 O ATOM 1266 ND2 ASN A 81 -5.622 -2.084 13.682 1.00 4.32 N ATOM 0 H ASN A 81 -3.906 -1.166 9.293 1.00 1.36 H new ATOM 0 HA ASN A 81 -5.092 0.625 11.053 1.00 1.66 H new ATOM 0 HB2 ASN A 81 -4.813 -1.996 11.092 1.00 2.69 H new ATOM 0 HB3 ASN A 81 -3.381 -1.672 12.049 1.00 2.69 H new ATOM 0 HD21 ASN A 81 -6.205 -1.952 14.509 1.00 4.32 H new ATOM 0 HD22 ASN A 81 -5.350 -3.024 13.394 1.00 4.32 H new ATOM 1273 N ASN A 82 -1.826 0.676 11.260 1.00 1.81 N ATOM 1274 CA ASN A 82 -0.687 1.430 11.857 1.00 2.78 C ATOM 1275 C ASN A 82 -0.596 1.128 13.361 1.00 2.87 C ATOM 1276 O ASN A 82 -1.520 1.407 14.099 1.00 3.08 O ATOM 1277 CB ASN A 82 -0.911 2.929 11.651 1.00 3.66 C ATOM 1278 CG ASN A 82 0.193 3.489 10.752 1.00 4.51 C ATOM 1279 OD1 ASN A 82 1.102 4.143 11.222 1.00 5.04 O ATOM 1280 ND2 ASN A 82 0.153 3.256 9.468 1.00 5.07 N ATOM 0 H ASN A 82 -1.571 0.026 10.517 1.00 1.81 H new ATOM 0 HA ASN A 82 0.242 1.127 11.373 1.00 2.78 H new ATOM 0 HB2 ASN A 82 -1.887 3.103 11.198 1.00 3.66 H new ATOM 0 HB3 ASN A 82 -0.909 3.444 12.612 1.00 3.66 H new ATOM 0 HD21 ASN A 82 0.885 3.623 8.860 1.00 5.07 H new ATOM 0 HD22 ASN A 82 -0.610 2.707 9.073 1.00 5.07 H new ATOM 1287 N PRO A 83 0.518 0.568 13.773 1.00 3.31 N ATOM 1288 CA PRO A 83 0.756 0.220 15.186 1.00 3.79 C ATOM 1289 C PRO A 83 1.142 1.467 15.991 1.00 4.06 C ATOM 1290 O PRO A 83 1.514 1.379 17.144 1.00 4.77 O ATOM 1291 CB PRO A 83 1.924 -0.768 15.122 1.00 4.67 C ATOM 1292 CG PRO A 83 2.648 -0.502 13.782 1.00 4.86 C ATOM 1293 CD PRO A 83 1.640 0.227 12.873 1.00 3.93 C ATOM 0 HA PRO A 83 -0.124 -0.197 15.676 1.00 3.79 H new ATOM 0 HB2 PRO A 83 2.601 -0.624 15.964 1.00 4.67 H new ATOM 0 HB3 PRO A 83 1.566 -1.796 15.173 1.00 4.67 H new ATOM 0 HG2 PRO A 83 3.539 0.106 13.937 1.00 4.86 H new ATOM 0 HG3 PRO A 83 2.975 -1.437 13.326 1.00 4.86 H new ATOM 0 HD2 PRO A 83 2.079 1.120 12.428 1.00 3.93 H new ATOM 0 HD3 PRO A 83 1.312 -0.410 12.052 1.00 3.93 H new ATOM 1301 N SER A 84 1.058 2.626 15.394 1.00 3.96 N ATOM 1302 CA SER A 84 1.424 3.869 16.132 1.00 4.68 C ATOM 1303 C SER A 84 0.351 4.938 15.909 1.00 4.75 C ATOM 1304 O SER A 84 0.579 6.112 16.122 1.00 5.17 O ATOM 1305 CB SER A 84 2.771 4.385 15.624 1.00 5.36 C ATOM 1306 OG SER A 84 3.609 3.281 15.310 1.00 5.77 O ATOM 0 H SER A 84 0.753 2.765 14.431 1.00 3.96 H new ATOM 0 HA SER A 84 1.496 3.648 17.197 1.00 4.68 H new ATOM 0 HB2 SER A 84 2.625 5.008 14.742 1.00 5.36 H new ATOM 0 HB3 SER A 84 3.243 5.011 16.382 1.00 5.36 H new ATOM 0 HG SER A 84 4.473 3.609 14.983 1.00 5.77 H new ATOM 1312 N GLN A 85 -0.817 4.543 15.484 1.00 4.71 N ATOM 1313 CA GLN A 85 -1.900 5.540 15.252 1.00 5.21 C ATOM 1314 C GLN A 85 -2.714 5.715 16.536 1.00 5.52 C ATOM 1315 O GLN A 85 -3.754 5.088 16.644 1.00 5.77 O ATOM 1316 CB GLN A 85 -2.818 5.046 14.132 1.00 5.76 C ATOM 1317 CG GLN A 85 -2.858 6.085 13.010 1.00 6.16 C ATOM 1318 CD GLN A 85 -3.922 7.138 13.326 1.00 6.74 C ATOM 1319 OE1 GLN A 85 -5.085 6.818 13.474 1.00 7.09 O ATOM 1320 NE2 GLN A 85 -3.571 8.390 13.436 1.00 7.18 N ATOM 1321 OXT GLN A 85 -2.282 6.473 17.389 1.00 5.87 O ATOM 0 H GLN A 85 -1.068 3.574 15.287 1.00 4.71 H new ATOM 0 HA GLN A 85 -1.459 6.495 14.966 1.00 5.21 H new ATOM 0 HB2 GLN A 85 -2.458 4.092 13.746 1.00 5.76 H new ATOM 0 HB3 GLN A 85 -3.822 4.875 14.519 1.00 5.76 H new ATOM 0 HG2 GLN A 85 -1.882 6.559 12.904 1.00 6.16 H new ATOM 0 HG3 GLN A 85 -3.082 5.601 12.059 1.00 6.16 H new ATOM 0 HE21 GLN A 85 -2.595 8.659 13.312 1.00 7.18 H new ATOM 0 HE22 GLN A 85 -4.273 9.100 13.646 1.00 7.18 H new TER 1330 GLN A 85 END