USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) HEADER RNA-BINDING PROTEIN 26-MAY-99 2U2F TITLE SOLUTION STRUCTURE OF THE SECOND RNA-BINDING DOMAIN OF TITLE 2 HU2AF65 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (SPLICING FACTOR U2AF 65 KD SUBUNIT); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SECOND RNA-BINDING DOMAIN; COMPND 5 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: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_CELL_LINE: BL21 (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PK7 KEYWDS SPLICING, U2 SNRNP, RBD, RNA-BINDING PROTEIN, RIKEN KEYWDS 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, STRUCTURAL KEYWDS 3 GENOMICS EXPDTA SOLUTION NMR AUTHOR T.ITO,Y.MUTO,M.R.GREEN,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 24-FEB-09 2U2F 1 VERSN REVDAT 2 01-APR-03 2U2F 1 JRNL REVDAT 1 20-AUG-99 2U2F 0 JRNL AUTH T.ITO,Y.MUTO,M.R.GREEN,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURES OF THE FIRST AND SECOND JRNL TITL 2 RNA-BINDING DOMAINS OF HUMAN U2 SMALL NUCLEAR JRNL TITL 3 RIBONUCLEOPROTEIN PARTICLE AUXILIARY FACTOR JRNL TITL 4 (U2AF(65)). JRNL REF EMBO J. V. 18 4523 1999 JRNL REFN ISSN 0261-4189 JRNL PMID 10449418 JRNL DOI 10.1093/EMBOJ/18.16.4523 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: SIMULATED ANNEALING REMARK 4 REMARK 4 2U2F COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-JUN-99. REMARK 100 THE RCSB ID CODE IS RCSB001117. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 PRO A 10 -91.62 -77.86 REMARK 500 ASN A 11 -28.91 175.53 REMARK 500 ASN A 14 -104.50 -131.30 REMARK 500 ASP A 36 -70.48 -48.35 REMARK 500 SER A 37 25.16 48.27 REMARK 500 ALA A 38 -36.73 -132.37 REMARK 500 LEU A 63 -61.50 -147.95 REMARK 500 GLN A 67 172.25 -48.60 REMARK 500 LEU A 68 -75.58 -133.00 REMARK 500 SER A 79 68.71 -160.07 REMARK 500 VAL A 80 -93.11 -108.46 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 77 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1U2F RELATED DB: PDB REMARK 900 RELATED ID: AR_001000504.1 RELATED DB: TARGETDB DBREF 2U2F A 1 85 UNP P26368 U2AF2_HUMAN 258 342 SEQRES 1 A 85 ALA HIS LYS LEU PHE ILE GLY GLY LEU PRO ASN TYR LEU SEQRES 2 A 85 ASN ASP ASP GLN VAL LYS GLU LEU LEU THR SER PHE GLY SEQRES 3 A 85 PRO LEU LYS ALA PHE ASN LEU VAL LYS ASP SER ALA THR SEQRES 4 A 85 GLY LEU SER LYS GLY TYR ALA PHE CYS GLU TYR VAL ASP SEQRES 5 A 85 ILE ASN VAL THR ASP GLN ALA ILE ALA GLY LEU ASN GLY SEQRES 6 A 85 MET GLN LEU GLY ASP LYS LYS LEU LEU VAL GLN ARG ALA SEQRES 7 A 85 SER VAL GLY ALA LYS ASN ALA HELIX 1 H1 ASP A 15 SER A 24 1 10 HELIX 2 H2 ILE A 53 LEU A 63 1 11 SHEET 1 S1 1 ALA A 30 VAL A 34 0 SHEET 1 S2 1 TYR A 45 GLU A 49 0 SHEET 1 S3 1 LYS A 3 GLY A 7 0 SHEET 1 S4 1 LEU A 74 ARG A 77 0 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 14 ASN : amide:sc= -1.79 K(o=-5.2,f=-11!) USER MOD Set 1.2: A 17 GLN : amide:sc= -3.42! K(o=-5.2!,f=-1.9) USER MOD Set 2.1: A 2 HIS : no HD1:sc= -6.27! C(o=-10!,f=-11!) USER MOD Set 2.2: A 79 SER OG : rot -68:sc= -3.69! USER MOD Single : A 1 ALA N :NH3+ 173:sc= -2.66 (180deg=-2.86!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.74 K(o=-1.7,f=-0.12) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -18:sc= 0.262 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.19! C(o=-1.2!,f=-2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 68:sc= 1.14 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 15:sc= -1.68! USER MOD Single : A 48 CYS SG : rot 160:sc= -3.48! USER MOD Single : A 50 TYR OH : rot -4:sc= 0.812 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 58 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.32) USER MOD Single : A 64 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -9.35! C(o=-9.3!,f=-9!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.830 2.548 3.998 1.00 2.01 N ATOM 2 CA ALA A 1 -12.530 1.929 5.158 1.00 1.40 C ATOM 3 C ALA A 1 -11.786 0.662 5.586 1.00 1.00 C ATOM 4 O ALA A 1 -12.263 -0.106 6.398 1.00 1.22 O ATOM 5 CB ALA A 1 -13.963 1.569 4.757 1.00 2.23 C ATOM 0 H1 ALA A 1 -12.397 3.339 3.632 1.00 2.01 H new ATOM 0 H2 ALA A 1 -10.900 2.900 4.302 1.00 2.01 H new ATOM 0 H3 ALA A 1 -11.704 1.837 3.249 1.00 2.01 H new ATOM 0 HA ALA A 1 -12.552 2.635 5.988 1.00 1.40 H new ATOM 0 HB1 ALA A 1 -14.475 1.116 5.606 1.00 2.23 H new ATOM 0 HB2 ALA A 1 -14.493 2.471 4.452 1.00 2.23 H new ATOM 0 HB3 ALA A 1 -13.942 0.863 3.927 1.00 2.23 H new ATOM 13 N HIS A 2 -10.619 0.436 5.045 1.00 0.59 N ATOM 14 CA HIS A 2 -9.845 -0.781 5.422 1.00 0.69 C ATOM 15 C HIS A 2 -8.351 -0.517 5.223 1.00 0.69 C ATOM 16 O HIS A 2 -7.932 0.602 5.006 1.00 1.24 O ATOM 17 CB HIS A 2 -10.277 -1.954 4.538 1.00 1.04 C ATOM 18 CG HIS A 2 -11.304 -2.778 5.265 1.00 1.60 C ATOM 19 ND1 HIS A 2 -11.040 -3.383 6.484 1.00 2.18 N ATOM 20 CD2 HIS A 2 -12.600 -3.109 4.956 1.00 2.44 C ATOM 21 CE1 HIS A 2 -12.152 -4.040 6.860 1.00 2.77 C ATOM 22 NE2 HIS A 2 -13.134 -3.905 5.964 1.00 2.97 N ATOM 0 H HIS A 2 -10.169 1.041 4.359 1.00 0.59 H new ATOM 0 HA HIS A 2 -10.036 -1.023 6.467 1.00 0.69 H new ATOM 0 HB2 HIS A 2 -10.690 -1.583 3.600 1.00 1.04 H new ATOM 0 HB3 HIS A 2 -9.414 -2.570 4.285 1.00 1.04 H new ATOM 0 HD2 HIS A 2 -13.125 -2.798 4.065 1.00 2.44 H new ATOM 0 HE1 HIS A 2 -12.240 -4.607 7.775 1.00 2.77 H new ATOM 0 HE2 HIS A 2 -14.073 -4.301 6.009 1.00 2.97 H new ATOM 30 N LYS A 3 -7.544 -1.540 5.295 1.00 0.37 N ATOM 31 CA LYS A 3 -6.078 -1.347 5.110 1.00 0.35 C ATOM 32 C LYS A 3 -5.686 -1.734 3.682 1.00 0.39 C ATOM 33 O LYS A 3 -5.870 -2.858 3.260 1.00 0.82 O ATOM 34 CB LYS A 3 -5.316 -2.228 6.103 1.00 0.34 C ATOM 35 CG LYS A 3 -5.817 -1.947 7.522 1.00 0.48 C ATOM 36 CD LYS A 3 -5.672 -3.208 8.376 1.00 0.78 C ATOM 37 CE LYS A 3 -4.193 -3.583 8.489 1.00 1.19 C ATOM 38 NZ LYS A 3 -3.956 -4.290 9.779 1.00 1.91 N ATOM 0 H LYS A 3 -7.836 -2.501 5.474 1.00 0.37 H new ATOM 0 HA LYS A 3 -5.827 -0.301 5.285 1.00 0.35 H new ATOM 0 HB2 LYS A 3 -5.459 -3.280 5.857 1.00 0.34 H new ATOM 0 HB3 LYS A 3 -4.247 -2.028 6.037 1.00 0.34 H new ATOM 0 HG2 LYS A 3 -5.248 -1.129 7.964 1.00 0.48 H new ATOM 0 HG3 LYS A 3 -6.860 -1.632 7.495 1.00 0.48 H new ATOM 0 HD2 LYS A 3 -6.091 -3.038 9.368 1.00 0.78 H new ATOM 0 HD3 LYS A 3 -6.233 -4.029 7.929 1.00 0.78 H new ATOM 0 HE2 LYS A 3 -3.904 -4.221 7.654 1.00 1.19 H new ATOM 0 HE3 LYS A 3 -3.575 -2.687 8.434 1.00 1.19 H new ATOM 0 HZ1 LYS A 3 -2.951 -4.545 9.856 1.00 1.91 H new ATOM 0 HZ2 LYS A 3 -4.216 -3.666 10.570 1.00 1.91 H new ATOM 0 HZ3 LYS A 3 -4.535 -5.153 9.813 1.00 1.91 H new ATOM 52 N LEU A 4 -5.146 -0.810 2.933 1.00 0.32 N ATOM 53 CA LEU A 4 -4.741 -1.125 1.534 1.00 0.29 C ATOM 54 C LEU A 4 -3.393 -1.851 1.542 1.00 0.26 C ATOM 55 O LEU A 4 -2.547 -1.605 2.381 1.00 0.36 O ATOM 56 CB LEU A 4 -4.617 0.173 0.734 1.00 0.35 C ATOM 57 CG LEU A 4 -5.976 0.874 0.684 1.00 0.54 C ATOM 58 CD1 LEU A 4 -5.801 2.287 0.126 1.00 0.67 C ATOM 59 CD2 LEU A 4 -6.922 0.082 -0.222 1.00 0.64 C ATOM 0 H LEU A 4 -4.968 0.149 3.230 1.00 0.32 H new ATOM 0 HA LEU A 4 -5.494 -1.765 1.074 1.00 0.29 H new ATOM 0 HB2 LEU A 4 -3.876 0.826 1.194 1.00 0.35 H new ATOM 0 HB3 LEU A 4 -4.269 -0.042 -0.276 1.00 0.35 H new ATOM 0 HG LEU A 4 -6.394 0.930 1.689 1.00 0.54 H new ATOM 0 HD11 LEU A 4 -6.769 2.787 0.090 1.00 0.67 H new ATOM 0 HD12 LEU A 4 -5.125 2.851 0.769 1.00 0.67 H new ATOM 0 HD13 LEU A 4 -5.384 2.232 -0.879 1.00 0.67 H new ATOM 0 HD21 LEU A 4 -7.891 0.579 -0.259 1.00 0.64 H new ATOM 0 HD22 LEU A 4 -6.503 0.028 -1.227 1.00 0.64 H new ATOM 0 HD23 LEU A 4 -7.046 -0.926 0.174 1.00 0.64 H new ATOM 71 N PHE A 5 -3.192 -2.747 0.613 1.00 0.21 N ATOM 72 CA PHE A 5 -1.905 -3.500 0.556 1.00 0.19 C ATOM 73 C PHE A 5 -1.146 -3.139 -0.724 1.00 0.20 C ATOM 74 O PHE A 5 -1.709 -3.089 -1.799 1.00 0.34 O ATOM 75 CB PHE A 5 -2.205 -5.001 0.571 1.00 0.21 C ATOM 76 CG PHE A 5 -1.037 -5.765 -0.003 1.00 0.23 C ATOM 77 CD1 PHE A 5 -0.907 -5.900 -1.390 1.00 1.22 C ATOM 78 CD2 PHE A 5 -0.089 -6.347 0.848 1.00 1.24 C ATOM 79 CE1 PHE A 5 0.169 -6.616 -1.927 1.00 1.24 C ATOM 80 CE2 PHE A 5 0.988 -7.061 0.311 1.00 1.24 C ATOM 81 CZ PHE A 5 1.117 -7.196 -1.077 1.00 0.31 C ATOM 0 H PHE A 5 -3.867 -2.991 -0.112 1.00 0.21 H new ATOM 0 HA PHE A 5 -1.290 -3.238 1.417 1.00 0.19 H new ATOM 0 HB2 PHE A 5 -2.400 -5.331 1.591 1.00 0.21 H new ATOM 0 HB3 PHE A 5 -3.105 -5.206 -0.009 1.00 0.21 H new ATOM 0 HD1 PHE A 5 -1.638 -5.451 -2.047 1.00 1.22 H new ATOM 0 HD2 PHE A 5 -0.189 -6.245 1.918 1.00 1.24 H new ATOM 0 HE1 PHE A 5 0.268 -6.721 -2.997 1.00 1.24 H new ATOM 0 HE2 PHE A 5 1.720 -7.508 0.967 1.00 1.24 H new ATOM 0 HZ PHE A 5 1.948 -7.748 -1.491 1.00 0.31 H new ATOM 91 N ILE A 6 0.133 -2.889 -0.615 1.00 0.18 N ATOM 92 CA ILE A 6 0.932 -2.534 -1.823 1.00 0.21 C ATOM 93 C ILE A 6 1.986 -3.613 -2.075 1.00 0.20 C ATOM 94 O ILE A 6 3.090 -3.545 -1.572 1.00 0.24 O ATOM 95 CB ILE A 6 1.631 -1.191 -1.599 1.00 0.26 C ATOM 96 CG1 ILE A 6 0.596 -0.065 -1.655 1.00 0.33 C ATOM 97 CG2 ILE A 6 2.684 -0.972 -2.690 1.00 0.29 C ATOM 98 CD1 ILE A 6 -0.124 0.032 -0.309 1.00 0.47 C ATOM 0 H ILE A 6 0.658 -2.916 0.259 1.00 0.18 H new ATOM 0 HA ILE A 6 0.268 -2.462 -2.684 1.00 0.21 H new ATOM 0 HB ILE A 6 2.117 -1.192 -0.623 1.00 0.26 H new ATOM 0 HG12 ILE A 6 1.084 0.881 -1.887 1.00 0.33 H new ATOM 0 HG13 ILE A 6 -0.123 -0.257 -2.451 1.00 0.33 H new ATOM 0 HG21 ILE A 6 3.181 -0.015 -2.529 1.00 0.29 H new ATOM 0 HG22 ILE A 6 3.421 -1.775 -2.651 1.00 0.29 H new ATOM 0 HG23 ILE A 6 2.201 -0.970 -3.667 1.00 0.29 H new ATOM 0 HD11 ILE A 6 -0.861 0.834 -0.348 1.00 0.47 H new ATOM 0 HD12 ILE A 6 -0.625 -0.912 -0.096 1.00 0.47 H new ATOM 0 HD13 ILE A 6 0.601 0.244 0.477 1.00 0.47 H new ATOM 110 N GLY A 7 1.658 -4.606 -2.853 1.00 0.19 N ATOM 111 CA GLY A 7 2.646 -5.682 -3.140 1.00 0.21 C ATOM 112 C GLY A 7 3.319 -5.402 -4.484 1.00 0.25 C ATOM 113 O GLY A 7 3.298 -6.217 -5.385 1.00 0.28 O ATOM 0 H GLY A 7 0.749 -4.719 -3.302 1.00 0.19 H new ATOM 0 HA2 GLY A 7 3.393 -5.726 -2.348 1.00 0.21 H new ATOM 0 HA3 GLY A 7 2.149 -6.652 -3.164 1.00 0.21 H new ATOM 117 N GLY A 8 3.913 -4.250 -4.622 1.00 0.30 N ATOM 118 CA GLY A 8 4.591 -3.903 -5.902 1.00 0.36 C ATOM 119 C GLY A 8 5.722 -2.919 -5.613 1.00 0.37 C ATOM 120 O GLY A 8 6.186 -2.213 -6.486 1.00 0.45 O ATOM 0 H GLY A 8 3.958 -3.531 -3.900 1.00 0.30 H new ATOM 0 HA2 GLY A 8 4.986 -4.802 -6.375 1.00 0.36 H new ATOM 0 HA3 GLY A 8 3.878 -3.463 -6.599 1.00 0.36 H new ATOM 124 N LEU A 9 6.164 -2.864 -4.387 1.00 0.33 N ATOM 125 CA LEU A 9 7.261 -1.925 -4.029 1.00 0.36 C ATOM 126 C LEU A 9 8.582 -2.433 -4.607 1.00 0.43 C ATOM 127 O LEU A 9 8.774 -3.621 -4.775 1.00 0.47 O ATOM 128 CB LEU A 9 7.371 -1.828 -2.507 1.00 0.35 C ATOM 129 CG LEU A 9 6.051 -1.309 -1.935 1.00 0.32 C ATOM 130 CD1 LEU A 9 6.083 -1.404 -0.410 1.00 0.30 C ATOM 131 CD2 LEU A 9 5.856 0.151 -2.350 1.00 0.43 C ATOM 0 H LEU A 9 5.811 -3.431 -3.616 1.00 0.33 H new ATOM 0 HA LEU A 9 7.044 -0.940 -4.441 1.00 0.36 H new ATOM 0 HB2 LEU A 9 7.604 -2.806 -2.085 1.00 0.35 H new ATOM 0 HB3 LEU A 9 8.187 -1.160 -2.232 1.00 0.35 H new ATOM 0 HG LEU A 9 5.227 -1.911 -2.319 1.00 0.32 H new ATOM 0 HD11 LEU A 9 5.142 -1.034 -0.003 1.00 0.30 H new ATOM 0 HD12 LEU A 9 6.223 -2.443 -0.113 1.00 0.30 H new ATOM 0 HD13 LEU A 9 6.906 -0.802 -0.025 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.915 0.522 -1.943 1.00 0.43 H new ATOM 0 HD22 LEU A 9 6.680 0.752 -1.965 1.00 0.43 H new ATOM 0 HD23 LEU A 9 5.833 0.220 -3.438 1.00 0.43 H new ATOM 143 N PRO A 10 9.451 -1.504 -4.894 1.00 0.48 N ATOM 144 CA PRO A 10 10.779 -1.797 -5.461 1.00 0.56 C ATOM 145 C PRO A 10 11.731 -2.296 -4.368 1.00 0.60 C ATOM 146 O PRO A 10 11.804 -3.477 -4.091 1.00 0.86 O ATOM 147 CB PRO A 10 11.236 -0.444 -6.013 1.00 0.62 C ATOM 148 CG PRO A 10 10.432 0.633 -5.245 1.00 0.60 C ATOM 149 CD PRO A 10 9.185 -0.070 -4.677 1.00 0.50 C ATOM 0 HA PRO A 10 10.760 -2.578 -6.221 1.00 0.56 H new ATOM 0 HB2 PRO A 10 12.307 -0.307 -5.867 1.00 0.62 H new ATOM 0 HB3 PRO A 10 11.049 -0.378 -7.085 1.00 0.62 H new ATOM 0 HG2 PRO A 10 11.031 1.066 -4.444 1.00 0.60 H new ATOM 0 HG3 PRO A 10 10.148 1.450 -5.908 1.00 0.60 H new ATOM 0 HD2 PRO A 10 9.048 0.154 -3.619 1.00 0.50 H new ATOM 0 HD3 PRO A 10 8.278 0.250 -5.191 1.00 0.50 H new ATOM 157 N ASN A 11 12.462 -1.409 -3.747 1.00 0.66 N ATOM 158 CA ASN A 11 13.407 -1.840 -2.676 1.00 0.70 C ATOM 159 C ASN A 11 14.221 -0.640 -2.185 1.00 0.79 C ATOM 160 O ASN A 11 14.649 -0.592 -1.049 1.00 1.15 O ATOM 161 CB ASN A 11 14.359 -2.903 -3.230 1.00 0.73 C ATOM 162 CG ASN A 11 15.093 -2.346 -4.452 1.00 0.80 C ATOM 163 OD1 ASN A 11 16.215 -1.894 -4.347 1.00 1.38 O ATOM 164 ND2 ASN A 11 14.502 -2.360 -5.615 1.00 1.23 N ATOM 0 H ASN A 11 12.446 -0.407 -3.935 1.00 0.66 H new ATOM 0 HA ASN A 11 12.837 -2.254 -1.844 1.00 0.70 H new ATOM 0 HB2 ASN A 11 15.077 -3.197 -2.465 1.00 0.73 H new ATOM 0 HB3 ASN A 11 13.801 -3.798 -3.505 1.00 0.73 H new ATOM 0 HD21 ASN A 11 14.983 -1.991 -6.436 1.00 1.23 H new ATOM 0 HD22 ASN A 11 13.559 -2.740 -5.704 1.00 1.23 H new ATOM 171 N TYR A 12 14.446 0.328 -3.033 1.00 0.71 N ATOM 172 CA TYR A 12 15.240 1.518 -2.613 1.00 0.78 C ATOM 173 C TYR A 12 14.338 2.534 -1.905 1.00 0.70 C ATOM 174 O TYR A 12 14.691 3.686 -1.752 1.00 0.84 O ATOM 175 CB TYR A 12 15.866 2.169 -3.845 1.00 0.89 C ATOM 176 CG TYR A 12 14.826 2.321 -4.914 1.00 0.85 C ATOM 177 CD1 TYR A 12 13.827 3.287 -4.780 1.00 1.52 C ATOM 178 CD2 TYR A 12 14.865 1.499 -6.041 1.00 1.44 C ATOM 179 CE1 TYR A 12 12.861 3.432 -5.777 1.00 1.56 C ATOM 180 CE2 TYR A 12 13.901 1.640 -7.040 1.00 1.49 C ATOM 181 CZ TYR A 12 12.896 2.608 -6.911 1.00 0.99 C ATOM 182 OH TYR A 12 11.942 2.750 -7.897 1.00 1.13 O ATOM 0 H TYR A 12 14.114 0.346 -3.997 1.00 0.71 H new ATOM 0 HA TYR A 12 16.022 1.198 -1.925 1.00 0.78 H new ATOM 0 HB2 TYR A 12 16.279 3.143 -3.584 1.00 0.89 H new ATOM 0 HB3 TYR A 12 16.692 1.560 -4.211 1.00 0.89 H new ATOM 0 HD1 TYR A 12 13.802 3.921 -3.906 1.00 1.52 H new ATOM 0 HD2 TYR A 12 15.641 0.754 -6.140 1.00 1.44 H new ATOM 0 HE1 TYR A 12 12.087 4.178 -5.675 1.00 1.56 H new ATOM 0 HE2 TYR A 12 13.929 1.004 -7.912 1.00 1.49 H new ATOM 0 HH TYR A 12 12.112 2.102 -8.613 1.00 1.13 H new ATOM 192 N LEU A 13 13.178 2.122 -1.470 1.00 0.62 N ATOM 193 CA LEU A 13 12.267 3.074 -0.773 1.00 0.56 C ATOM 194 C LEU A 13 12.410 2.905 0.741 1.00 0.55 C ATOM 195 O LEU A 13 12.998 1.954 1.217 1.00 0.70 O ATOM 196 CB LEU A 13 10.820 2.791 -1.180 1.00 0.55 C ATOM 197 CG LEU A 13 10.667 2.984 -2.689 1.00 0.58 C ATOM 198 CD1 LEU A 13 9.260 2.564 -3.116 1.00 0.54 C ATOM 199 CD2 LEU A 13 10.885 4.458 -3.039 1.00 0.70 C ATOM 0 H LEU A 13 12.823 1.171 -1.567 1.00 0.62 H new ATOM 0 HA LEU A 13 12.531 4.094 -1.052 1.00 0.56 H new ATOM 0 HB2 LEU A 13 10.546 1.773 -0.903 1.00 0.55 H new ATOM 0 HB3 LEU A 13 10.144 3.459 -0.647 1.00 0.55 H new ATOM 0 HG LEU A 13 11.404 2.373 -3.210 1.00 0.58 H new ATOM 0 HD11 LEU A 13 9.150 2.701 -4.192 1.00 0.54 H new ATOM 0 HD12 LEU A 13 9.102 1.515 -2.866 1.00 0.54 H new ATOM 0 HD13 LEU A 13 8.524 3.176 -2.595 1.00 0.54 H new ATOM 0 HD21 LEU A 13 10.776 4.596 -4.115 1.00 0.70 H new ATOM 0 HD22 LEU A 13 10.148 5.069 -2.518 1.00 0.70 H new ATOM 0 HD23 LEU A 13 11.887 4.760 -2.734 1.00 0.70 H new ATOM 211 N ASN A 14 11.875 3.821 1.501 1.00 0.48 N ATOM 212 CA ASN A 14 11.978 3.714 2.983 1.00 0.48 C ATOM 213 C ASN A 14 10.595 3.928 3.612 1.00 0.43 C ATOM 214 O ASN A 14 9.749 3.057 3.571 1.00 0.55 O ATOM 215 CB ASN A 14 12.965 4.765 3.499 1.00 0.51 C ATOM 216 CG ASN A 14 12.785 6.066 2.714 1.00 0.52 C ATOM 217 OD1 ASN A 14 11.710 6.347 2.220 1.00 0.63 O ATOM 218 ND2 ASN A 14 13.798 6.876 2.575 1.00 1.09 N ATOM 0 H ASN A 14 11.371 4.639 1.159 1.00 0.48 H new ATOM 0 HA ASN A 14 12.338 2.722 3.257 1.00 0.48 H new ATOM 0 HB2 ASN A 14 12.800 4.943 4.561 1.00 0.51 H new ATOM 0 HB3 ASN A 14 13.987 4.402 3.392 1.00 0.51 H new ATOM 0 HD21 ASN A 14 13.688 7.745 2.052 1.00 1.09 H new ATOM 0 HD22 ASN A 14 14.700 6.641 2.989 1.00 1.09 H new ATOM 225 N ASP A 15 10.352 5.074 4.193 1.00 0.37 N ATOM 226 CA ASP A 15 9.022 5.323 4.817 1.00 0.35 C ATOM 227 C ASP A 15 8.390 6.560 4.182 1.00 0.34 C ATOM 228 O ASP A 15 7.208 6.594 3.901 1.00 0.34 O ATOM 229 CB ASP A 15 9.203 5.559 6.316 1.00 0.42 C ATOM 230 CG ASP A 15 7.833 5.616 6.995 1.00 0.47 C ATOM 231 OD1 ASP A 15 7.163 4.597 7.019 1.00 1.17 O ATOM 232 OD2 ASP A 15 7.479 6.677 7.481 1.00 1.19 O ATOM 0 H ASP A 15 11.016 5.845 4.262 1.00 0.37 H new ATOM 0 HA ASP A 15 8.375 4.460 4.659 1.00 0.35 H new ATOM 0 HB2 ASP A 15 9.803 4.759 6.751 1.00 0.42 H new ATOM 0 HB3 ASP A 15 9.743 6.490 6.485 1.00 0.42 H new ATOM 237 N ASP A 16 9.170 7.577 3.957 1.00 0.38 N ATOM 238 CA ASP A 16 8.621 8.818 3.341 1.00 0.42 C ATOM 239 C ASP A 16 8.506 8.630 1.829 1.00 0.39 C ATOM 240 O ASP A 16 7.779 9.337 1.161 1.00 0.41 O ATOM 241 CB ASP A 16 9.552 9.995 3.644 1.00 0.52 C ATOM 242 CG ASP A 16 9.144 10.640 4.970 1.00 1.48 C ATOM 243 OD1 ASP A 16 9.369 10.025 5.999 1.00 2.17 O ATOM 244 OD2 ASP A 16 8.613 11.738 4.934 1.00 2.24 O ATOM 0 H ASP A 16 10.167 7.604 4.173 1.00 0.38 H new ATOM 0 HA ASP A 16 7.634 9.023 3.755 1.00 0.42 H new ATOM 0 HB2 ASP A 16 10.585 9.651 3.697 1.00 0.52 H new ATOM 0 HB3 ASP A 16 9.502 10.729 2.840 1.00 0.52 H new ATOM 249 N GLN A 17 9.211 7.678 1.283 1.00 0.39 N ATOM 250 CA GLN A 17 9.126 7.446 -0.185 1.00 0.42 C ATOM 251 C GLN A 17 7.924 6.553 -0.473 1.00 0.37 C ATOM 252 O GLN A 17 7.079 6.871 -1.285 1.00 0.41 O ATOM 253 CB GLN A 17 10.405 6.764 -0.675 1.00 0.48 C ATOM 254 CG GLN A 17 11.544 7.784 -0.717 1.00 0.62 C ATOM 255 CD GLN A 17 12.839 7.080 -1.123 1.00 0.73 C ATOM 256 OE1 GLN A 17 13.463 7.446 -2.099 1.00 1.35 O ATOM 257 NE2 GLN A 17 13.273 6.078 -0.408 1.00 0.62 N ATOM 0 H GLN A 17 9.840 7.053 1.788 1.00 0.39 H new ATOM 0 HA GLN A 17 9.012 8.398 -0.704 1.00 0.42 H new ATOM 0 HB2 GLN A 17 10.666 5.939 -0.013 1.00 0.48 H new ATOM 0 HB3 GLN A 17 10.246 6.339 -1.666 1.00 0.48 H new ATOM 0 HG2 GLN A 17 11.310 8.578 -1.426 1.00 0.62 H new ATOM 0 HG3 GLN A 17 11.663 8.254 0.259 1.00 0.62 H new ATOM 0 HE21 GLN A 17 12.749 5.771 0.411 1.00 0.62 H new ATOM 0 HE22 GLN A 17 14.137 5.602 -0.669 1.00 0.62 H new ATOM 266 N VAL A 18 7.834 5.443 0.201 1.00 0.32 N ATOM 267 CA VAL A 18 6.679 4.534 -0.019 1.00 0.30 C ATOM 268 C VAL A 18 5.411 5.224 0.484 1.00 0.26 C ATOM 269 O VAL A 18 4.309 4.870 0.117 1.00 0.28 O ATOM 270 CB VAL A 18 6.896 3.232 0.755 1.00 0.31 C ATOM 271 CG1 VAL A 18 5.691 2.310 0.553 1.00 0.33 C ATOM 272 CG2 VAL A 18 8.159 2.538 0.240 1.00 0.41 C ATOM 0 H VAL A 18 8.511 5.126 0.895 1.00 0.32 H new ATOM 0 HA VAL A 18 6.582 4.305 -1.080 1.00 0.30 H new ATOM 0 HB VAL A 18 7.009 3.455 1.816 1.00 0.31 H new ATOM 0 HG11 VAL A 18 5.846 1.383 1.104 1.00 0.33 H new ATOM 0 HG12 VAL A 18 4.790 2.803 0.918 1.00 0.33 H new ATOM 0 HG13 VAL A 18 5.578 2.087 -0.508 1.00 0.33 H new ATOM 0 HG21 VAL A 18 8.315 1.610 0.791 1.00 0.41 H new ATOM 0 HG22 VAL A 18 8.045 2.315 -0.821 1.00 0.41 H new ATOM 0 HG23 VAL A 18 9.018 3.193 0.383 1.00 0.41 H new ATOM 282 N LYS A 19 5.565 6.218 1.319 1.00 0.26 N ATOM 283 CA LYS A 19 4.376 6.943 1.843 1.00 0.27 C ATOM 284 C LYS A 19 3.960 8.016 0.837 1.00 0.29 C ATOM 285 O LYS A 19 2.815 8.096 0.438 1.00 0.30 O ATOM 286 CB LYS A 19 4.728 7.605 3.178 1.00 0.32 C ATOM 287 CG LYS A 19 3.578 8.515 3.613 1.00 0.37 C ATOM 288 CD LYS A 19 3.575 8.646 5.137 1.00 0.64 C ATOM 289 CE LYS A 19 2.937 9.979 5.532 1.00 1.19 C ATOM 290 NZ LYS A 19 3.632 10.528 6.731 1.00 1.79 N ATOM 0 H LYS A 19 6.465 6.557 1.659 1.00 0.26 H new ATOM 0 HA LYS A 19 3.555 6.241 1.993 1.00 0.27 H new ATOM 0 HB2 LYS A 19 4.911 6.844 3.937 1.00 0.32 H new ATOM 0 HB3 LYS A 19 5.646 8.184 3.079 1.00 0.32 H new ATOM 0 HG2 LYS A 19 3.685 9.498 3.154 1.00 0.37 H new ATOM 0 HG3 LYS A 19 2.628 8.105 3.271 1.00 0.37 H new ATOM 0 HD2 LYS A 19 3.022 7.819 5.583 1.00 0.64 H new ATOM 0 HD3 LYS A 19 4.594 8.591 5.520 1.00 0.64 H new ATOM 0 HE2 LYS A 19 3.004 10.685 4.705 1.00 1.19 H new ATOM 0 HE3 LYS A 19 1.878 9.838 5.746 1.00 1.19 H new ATOM 0 HZ1 LYS A 19 3.198 11.434 6.999 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 3.546 9.856 7.520 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 4.638 10.677 6.511 1.00 1.79 H new ATOM 304 N GLU A 20 4.884 8.839 0.418 1.00 0.33 N ATOM 305 CA GLU A 20 4.541 9.904 -0.567 1.00 0.38 C ATOM 306 C GLU A 20 3.890 9.268 -1.798 1.00 0.35 C ATOM 307 O GLU A 20 3.228 9.929 -2.573 1.00 0.40 O ATOM 308 CB GLU A 20 5.815 10.641 -0.986 1.00 0.46 C ATOM 309 CG GLU A 20 5.527 11.498 -2.220 1.00 1.38 C ATOM 310 CD GLU A 20 6.202 12.862 -2.064 1.00 1.87 C ATOM 311 OE1 GLU A 20 6.035 13.467 -1.018 1.00 2.56 O ATOM 312 OE2 GLU A 20 6.873 13.279 -2.994 1.00 2.27 O ATOM 0 H GLU A 20 5.860 8.820 0.715 1.00 0.33 H new ATOM 0 HA GLU A 20 3.846 10.610 -0.112 1.00 0.38 H new ATOM 0 HB2 GLU A 20 6.170 11.269 -0.169 1.00 0.46 H new ATOM 0 HB3 GLU A 20 6.607 9.925 -1.205 1.00 0.46 H new ATOM 0 HG2 GLU A 20 5.895 10.999 -3.116 1.00 1.38 H new ATOM 0 HG3 GLU A 20 4.452 11.625 -2.345 1.00 1.38 H new ATOM 319 N LEU A 21 4.065 7.987 -1.978 1.00 0.32 N ATOM 320 CA LEU A 21 3.451 7.308 -3.151 1.00 0.34 C ATOM 321 C LEU A 21 1.973 7.060 -2.856 1.00 0.30 C ATOM 322 O LEU A 21 1.109 7.362 -3.655 1.00 0.34 O ATOM 323 CB LEU A 21 4.157 5.972 -3.396 1.00 0.37 C ATOM 324 CG LEU A 21 5.620 6.229 -3.764 1.00 0.41 C ATOM 325 CD1 LEU A 21 6.436 4.955 -3.536 1.00 0.49 C ATOM 326 CD2 LEU A 21 5.711 6.634 -5.236 1.00 0.44 C ATOM 0 H LEU A 21 4.608 7.382 -1.362 1.00 0.32 H new ATOM 0 HA LEU A 21 3.552 7.933 -4.038 1.00 0.34 H new ATOM 0 HB2 LEU A 21 4.099 5.349 -2.504 1.00 0.37 H new ATOM 0 HB3 LEU A 21 3.659 5.427 -4.198 1.00 0.37 H new ATOM 0 HG LEU A 21 6.016 7.030 -3.140 1.00 0.41 H new ATOM 0 HD11 LEU A 21 7.478 5.138 -3.798 1.00 0.49 H new ATOM 0 HD12 LEU A 21 6.371 4.664 -2.487 1.00 0.49 H new ATOM 0 HD13 LEU A 21 6.041 4.153 -4.160 1.00 0.49 H new ATOM 0 HD21 LEU A 21 6.753 6.817 -5.499 1.00 0.44 H new ATOM 0 HD22 LEU A 21 5.315 5.832 -5.859 1.00 0.44 H new ATOM 0 HD23 LEU A 21 5.130 7.542 -5.400 1.00 0.44 H new ATOM 338 N LEU A 22 1.676 6.522 -1.705 1.00 0.27 N ATOM 339 CA LEU A 22 0.254 6.266 -1.349 1.00 0.27 C ATOM 340 C LEU A 22 -0.338 7.530 -0.725 1.00 0.24 C ATOM 341 O LEU A 22 -1.421 7.515 -0.177 1.00 0.28 O ATOM 342 CB LEU A 22 0.173 5.115 -0.344 1.00 0.31 C ATOM 343 CG LEU A 22 0.774 3.854 -0.963 1.00 0.44 C ATOM 344 CD1 LEU A 22 1.079 2.839 0.140 1.00 0.48 C ATOM 345 CD2 LEU A 22 -0.222 3.247 -1.954 1.00 0.64 C ATOM 0 H LEU A 22 2.357 6.249 -0.997 1.00 0.27 H new ATOM 0 HA LEU A 22 -0.306 5.998 -2.245 1.00 0.27 H new ATOM 0 HB2 LEU A 22 0.710 5.376 0.568 1.00 0.31 H new ATOM 0 HB3 LEU A 22 -0.865 4.936 -0.063 1.00 0.31 H new ATOM 0 HG LEU A 22 1.696 4.110 -1.485 1.00 0.44 H new ATOM 0 HD11 LEU A 22 1.508 1.939 -0.302 1.00 0.48 H new ATOM 0 HD12 LEU A 22 1.789 3.271 0.845 1.00 0.48 H new ATOM 0 HD13 LEU A 22 0.158 2.583 0.663 1.00 0.48 H new ATOM 0 HD21 LEU A 22 0.207 2.347 -2.396 1.00 0.64 H new ATOM 0 HD22 LEU A 22 -1.144 2.991 -1.432 1.00 0.64 H new ATOM 0 HD23 LEU A 22 -0.439 3.970 -2.741 1.00 0.64 H new ATOM 357 N THR A 23 0.367 8.627 -0.802 1.00 0.23 N ATOM 358 CA THR A 23 -0.162 9.889 -0.213 1.00 0.23 C ATOM 359 C THR A 23 -0.524 10.866 -1.333 1.00 0.24 C ATOM 360 O THR A 23 -0.936 11.982 -1.086 1.00 0.32 O ATOM 361 CB THR A 23 0.902 10.520 0.691 1.00 0.30 C ATOM 362 OG1 THR A 23 0.305 10.906 1.921 1.00 0.91 O ATOM 363 CG2 THR A 23 1.497 11.749 0.003 1.00 0.82 C ATOM 0 H THR A 23 1.282 8.703 -1.246 1.00 0.23 H new ATOM 0 HA THR A 23 -1.052 9.666 0.376 1.00 0.23 H new ATOM 0 HB THR A 23 1.694 9.796 0.881 1.00 0.30 H new ATOM 0 HG1 THR A 23 -0.668 10.948 1.813 1.00 0.91 H new ATOM 0 HG21 THR A 23 2.254 12.196 0.648 1.00 0.82 H new ATOM 0 HG22 THR A 23 1.954 11.452 -0.941 1.00 0.82 H new ATOM 0 HG23 THR A 23 0.708 12.476 -0.189 1.00 0.82 H new ATOM 371 N SER A 24 -0.379 10.456 -2.564 1.00 0.27 N ATOM 372 CA SER A 24 -0.722 11.364 -3.695 1.00 0.33 C ATOM 373 C SER A 24 -2.238 11.555 -3.738 1.00 0.31 C ATOM 374 O SER A 24 -2.737 12.537 -4.250 1.00 0.37 O ATOM 375 CB SER A 24 -0.248 10.745 -5.010 1.00 0.40 C ATOM 376 OG SER A 24 0.488 11.714 -5.747 1.00 1.27 O ATOM 0 H SER A 24 -0.039 9.533 -2.835 1.00 0.27 H new ATOM 0 HA SER A 24 -0.233 12.328 -3.555 1.00 0.33 H new ATOM 0 HB2 SER A 24 0.375 9.873 -4.811 1.00 0.40 H new ATOM 0 HB3 SER A 24 -1.103 10.401 -5.592 1.00 0.40 H new ATOM 0 HG SER A 24 0.795 11.320 -6.590 1.00 1.27 H new ATOM 382 N PHE A 25 -2.973 10.621 -3.200 1.00 0.28 N ATOM 383 CA PHE A 25 -4.454 10.738 -3.202 1.00 0.31 C ATOM 384 C PHE A 25 -4.907 11.487 -1.948 1.00 0.32 C ATOM 385 O PHE A 25 -5.943 12.122 -1.933 1.00 0.58 O ATOM 386 CB PHE A 25 -5.063 9.340 -3.210 1.00 0.33 C ATOM 387 CG PHE A 25 -4.905 8.730 -4.582 1.00 0.36 C ATOM 388 CD1 PHE A 25 -5.870 8.966 -5.569 1.00 1.07 C ATOM 389 CD2 PHE A 25 -3.792 7.932 -4.867 1.00 1.27 C ATOM 390 CE1 PHE A 25 -5.720 8.402 -6.841 1.00 1.06 C ATOM 391 CE2 PHE A 25 -3.642 7.369 -6.139 1.00 1.34 C ATOM 392 CZ PHE A 25 -4.606 7.603 -7.126 1.00 0.53 C ATOM 0 H PHE A 25 -2.607 9.778 -2.757 1.00 0.28 H new ATOM 0 HA PHE A 25 -4.780 11.286 -4.086 1.00 0.31 H new ATOM 0 HB2 PHE A 25 -4.574 8.714 -2.464 1.00 0.33 H new ATOM 0 HB3 PHE A 25 -6.118 9.390 -2.942 1.00 0.33 H new ATOM 0 HD1 PHE A 25 -6.729 9.583 -5.349 1.00 1.07 H new ATOM 0 HD2 PHE A 25 -3.048 7.750 -4.105 1.00 1.27 H new ATOM 0 HE1 PHE A 25 -6.464 8.583 -7.603 1.00 1.06 H new ATOM 0 HE2 PHE A 25 -2.782 6.754 -6.359 1.00 1.34 H new ATOM 0 HZ PHE A 25 -4.491 7.167 -8.107 1.00 0.53 H new ATOM 402 N GLY A 26 -4.139 11.420 -0.895 1.00 0.26 N ATOM 403 CA GLY A 26 -4.528 12.129 0.357 1.00 0.30 C ATOM 404 C GLY A 26 -3.644 11.653 1.510 1.00 0.25 C ATOM 405 O GLY A 26 -2.712 10.900 1.309 1.00 0.23 O ATOM 0 H GLY A 26 -3.260 10.905 -0.847 1.00 0.26 H new ATOM 0 HA2 GLY A 26 -4.423 13.206 0.225 1.00 0.30 H new ATOM 0 HA3 GLY A 26 -5.576 11.937 0.585 1.00 0.30 H new ATOM 409 N PRO A 27 -3.972 12.111 2.687 1.00 0.25 N ATOM 410 CA PRO A 27 -3.237 11.758 3.914 1.00 0.23 C ATOM 411 C PRO A 27 -3.632 10.353 4.382 1.00 0.21 C ATOM 412 O PRO A 27 -4.761 9.932 4.226 1.00 0.39 O ATOM 413 CB PRO A 27 -3.687 12.823 4.918 1.00 0.28 C ATOM 414 CG PRO A 27 -5.044 13.362 4.404 1.00 0.31 C ATOM 415 CD PRO A 27 -5.111 13.024 2.902 1.00 0.29 C ATOM 0 HA PRO A 27 -2.155 11.739 3.782 1.00 0.23 H new ATOM 0 HB2 PRO A 27 -3.791 12.397 5.916 1.00 0.28 H new ATOM 0 HB3 PRO A 27 -2.952 13.625 4.989 1.00 0.28 H new ATOM 0 HG2 PRO A 27 -5.873 12.902 4.942 1.00 0.31 H new ATOM 0 HG3 PRO A 27 -5.119 14.438 4.563 1.00 0.31 H new ATOM 0 HD2 PRO A 27 -6.057 12.549 2.642 1.00 0.29 H new ATOM 0 HD3 PRO A 27 -5.025 13.920 2.288 1.00 0.29 H new ATOM 423 N LEU A 28 -2.710 9.623 4.948 1.00 0.20 N ATOM 424 CA LEU A 28 -3.035 8.246 5.418 1.00 0.18 C ATOM 425 C LEU A 28 -3.171 8.235 6.939 1.00 0.19 C ATOM 426 O LEU A 28 -2.342 8.768 7.650 1.00 0.21 O ATOM 427 CB LEU A 28 -1.912 7.287 5.014 1.00 0.17 C ATOM 428 CG LEU A 28 -1.573 7.472 3.533 1.00 0.20 C ATOM 429 CD1 LEU A 28 -0.056 7.423 3.350 1.00 0.22 C ATOM 430 CD2 LEU A 28 -2.208 6.340 2.721 1.00 0.23 C ATOM 0 H LEU A 28 -1.747 9.920 5.105 1.00 0.20 H new ATOM 0 HA LEU A 28 -3.974 7.930 4.964 1.00 0.18 H new ATOM 0 HB2 LEU A 28 -1.028 7.472 5.624 1.00 0.17 H new ATOM 0 HB3 LEU A 28 -2.218 6.257 5.200 1.00 0.17 H new ATOM 0 HG LEU A 28 -1.957 8.433 3.191 1.00 0.20 H new ATOM 0 HD11 LEU A 28 0.188 7.555 2.296 1.00 0.22 H new ATOM 0 HD12 LEU A 28 0.407 8.220 3.932 1.00 0.22 H new ATOM 0 HD13 LEU A 28 0.321 6.459 3.692 1.00 0.22 H new ATOM 0 HD21 LEU A 28 -1.968 6.470 1.666 1.00 0.23 H new ATOM 0 HD22 LEU A 28 -1.819 5.382 3.066 1.00 0.23 H new ATOM 0 HD23 LEU A 28 -3.290 6.361 2.852 1.00 0.23 H new ATOM 442 N LYS A 29 -4.200 7.614 7.448 1.00 0.19 N ATOM 443 CA LYS A 29 -4.371 7.552 8.921 1.00 0.22 C ATOM 444 C LYS A 29 -3.449 6.462 9.467 1.00 0.21 C ATOM 445 O LYS A 29 -3.189 6.387 10.651 1.00 0.26 O ATOM 446 CB LYS A 29 -5.825 7.211 9.258 1.00 0.26 C ATOM 447 CG LYS A 29 -5.957 6.966 10.763 1.00 0.34 C ATOM 448 CD LYS A 29 -7.408 7.189 11.193 1.00 1.12 C ATOM 449 CE LYS A 29 -7.492 7.206 12.721 1.00 1.98 C ATOM 450 NZ LYS A 29 -8.851 6.770 13.149 1.00 2.71 N ATOM 0 H LYS A 29 -4.927 7.148 6.905 1.00 0.19 H new ATOM 0 HA LYS A 29 -4.122 8.514 9.368 1.00 0.22 H new ATOM 0 HB2 LYS A 29 -6.481 8.026 8.953 1.00 0.26 H new ATOM 0 HB3 LYS A 29 -6.139 6.325 8.706 1.00 0.26 H new ATOM 0 HG2 LYS A 29 -5.647 5.949 11.005 1.00 0.34 H new ATOM 0 HG3 LYS A 29 -5.297 7.639 11.311 1.00 0.34 H new ATOM 0 HD2 LYS A 29 -7.778 8.131 10.788 1.00 1.12 H new ATOM 0 HD3 LYS A 29 -8.043 6.399 10.792 1.00 1.12 H new ATOM 0 HE2 LYS A 29 -6.736 6.545 13.145 1.00 1.98 H new ATOM 0 HE3 LYS A 29 -7.285 8.208 13.096 1.00 1.98 H new ATOM 0 HZ1 LYS A 29 -8.908 6.781 14.187 1.00 2.71 H new ATOM 0 HZ2 LYS A 29 -9.563 7.418 12.756 1.00 2.71 H new ATOM 0 HZ3 LYS A 29 -9.031 5.806 12.803 1.00 2.71 H new ATOM 464 N ALA A 30 -2.943 5.619 8.604 1.00 0.18 N ATOM 465 CA ALA A 30 -2.027 4.538 9.071 1.00 0.18 C ATOM 466 C ALA A 30 -1.016 4.212 7.971 1.00 0.15 C ATOM 467 O ALA A 30 -1.252 4.456 6.805 1.00 0.18 O ATOM 468 CB ALA A 30 -2.834 3.282 9.404 1.00 0.21 C ATOM 0 H ALA A 30 -3.124 5.633 7.600 1.00 0.18 H new ATOM 0 HA ALA A 30 -1.501 4.877 9.963 1.00 0.18 H new ATOM 0 HB1 ALA A 30 -2.160 2.496 9.744 1.00 0.21 H new ATOM 0 HB2 ALA A 30 -3.553 3.510 10.191 1.00 0.21 H new ATOM 0 HB3 ALA A 30 -3.365 2.944 8.514 1.00 0.21 H new ATOM 474 N PHE A 31 0.110 3.664 8.334 1.00 0.17 N ATOM 475 CA PHE A 31 1.134 3.324 7.311 1.00 0.17 C ATOM 476 C PHE A 31 2.064 2.239 7.860 1.00 0.22 C ATOM 477 O PHE A 31 2.303 2.155 9.048 1.00 0.56 O ATOM 478 CB PHE A 31 1.950 4.573 6.977 1.00 0.22 C ATOM 479 CG PHE A 31 2.912 4.260 5.858 1.00 0.22 C ATOM 480 CD1 PHE A 31 2.477 3.534 4.743 1.00 1.22 C ATOM 481 CD2 PHE A 31 4.239 4.696 5.936 1.00 1.24 C ATOM 482 CE1 PHE A 31 3.371 3.244 3.705 1.00 1.26 C ATOM 483 CE2 PHE A 31 5.133 4.407 4.898 1.00 1.25 C ATOM 484 CZ PHE A 31 4.699 3.680 3.783 1.00 0.40 C ATOM 0 H PHE A 31 0.364 3.437 9.295 1.00 0.17 H new ATOM 0 HA PHE A 31 0.642 2.958 6.410 1.00 0.17 H new ATOM 0 HB2 PHE A 31 1.286 5.386 6.684 1.00 0.22 H new ATOM 0 HB3 PHE A 31 2.497 4.910 7.858 1.00 0.22 H new ATOM 0 HD1 PHE A 31 1.452 3.198 4.683 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.574 5.256 6.797 1.00 1.24 H new ATOM 0 HE1 PHE A 31 3.036 2.684 2.844 1.00 1.26 H new ATOM 0 HE2 PHE A 31 6.157 4.745 4.957 1.00 1.25 H new ATOM 0 HZ PHE A 31 5.389 3.456 2.983 1.00 0.40 H new ATOM 494 N ASN A 32 2.589 1.409 7.002 1.00 0.37 N ATOM 495 CA ASN A 32 3.503 0.330 7.467 1.00 0.40 C ATOM 496 C ASN A 32 4.264 -0.233 6.265 1.00 0.38 C ATOM 497 O ASN A 32 3.913 0.017 5.130 1.00 0.66 O ATOM 498 CB ASN A 32 2.684 -0.785 8.121 1.00 0.50 C ATOM 499 CG ASN A 32 3.595 -1.971 8.441 1.00 0.58 C ATOM 500 OD1 ASN A 32 4.526 -1.847 9.210 1.00 0.69 O ATOM 501 ND2 ASN A 32 3.363 -3.125 7.878 1.00 0.67 N ATOM 0 H ASN A 32 2.423 1.432 5.996 1.00 0.37 H new ATOM 0 HA ASN A 32 4.209 0.733 8.193 1.00 0.40 H new ATOM 0 HB2 ASN A 32 2.214 -0.418 9.034 1.00 0.50 H new ATOM 0 HB3 ASN A 32 1.881 -1.100 7.454 1.00 0.50 H new ATOM 0 HD21 ASN A 32 3.964 -3.923 8.084 1.00 0.67 H new ATOM 0 HD22 ASN A 32 2.581 -3.229 7.232 1.00 0.67 H new ATOM 508 N LEU A 33 5.300 -0.989 6.500 1.00 0.36 N ATOM 509 CA LEU A 33 6.074 -1.563 5.363 1.00 0.32 C ATOM 510 C LEU A 33 6.381 -3.032 5.648 1.00 0.33 C ATOM 511 O LEU A 33 6.428 -3.456 6.785 1.00 0.43 O ATOM 512 CB LEU A 33 7.383 -0.791 5.190 1.00 0.40 C ATOM 513 CG LEU A 33 7.077 0.686 4.939 1.00 0.53 C ATOM 514 CD1 LEU A 33 7.910 1.548 5.889 1.00 1.16 C ATOM 515 CD2 LEU A 33 7.427 1.040 3.493 1.00 1.11 C ATOM 0 H LEU A 33 5.644 -1.234 7.428 1.00 0.36 H new ATOM 0 HA LEU A 33 5.486 -1.484 4.448 1.00 0.32 H new ATOM 0 HB2 LEU A 33 8.001 -0.899 6.081 1.00 0.40 H new ATOM 0 HB3 LEU A 33 7.952 -1.202 4.356 1.00 0.40 H new ATOM 0 HG LEU A 33 6.017 0.872 5.113 1.00 0.53 H new ATOM 0 HD11 LEU A 33 7.692 2.601 5.710 1.00 1.16 H new ATOM 0 HD12 LEU A 33 7.663 1.296 6.920 1.00 1.16 H new ATOM 0 HD13 LEU A 33 8.970 1.362 5.714 1.00 1.16 H new ATOM 0 HD21 LEU A 33 7.209 2.093 3.313 1.00 1.11 H new ATOM 0 HD22 LEU A 33 8.487 0.854 3.319 1.00 1.11 H new ATOM 0 HD23 LEU A 33 6.835 0.426 2.815 1.00 1.11 H new ATOM 527 N VAL A 34 6.585 -3.817 4.624 1.00 0.34 N ATOM 528 CA VAL A 34 6.884 -5.260 4.848 1.00 0.41 C ATOM 529 C VAL A 34 8.086 -5.689 4.003 1.00 0.48 C ATOM 530 O VAL A 34 8.008 -5.799 2.787 1.00 0.45 O ATOM 531 CB VAL A 34 5.671 -6.110 4.474 1.00 0.44 C ATOM 532 CG1 VAL A 34 5.793 -7.479 5.144 1.00 0.53 C ATOM 533 CG2 VAL A 34 4.394 -5.421 4.957 1.00 0.57 C ATOM 0 H VAL A 34 6.558 -3.523 3.648 1.00 0.34 H new ATOM 0 HA VAL A 34 7.117 -5.406 5.903 1.00 0.41 H new ATOM 0 HB VAL A 34 5.629 -6.231 3.392 1.00 0.44 H new ATOM 0 HG11 VAL A 34 4.930 -8.091 4.881 1.00 0.53 H new ATOM 0 HG12 VAL A 34 6.704 -7.971 4.803 1.00 0.53 H new ATOM 0 HG13 VAL A 34 5.832 -7.352 6.226 1.00 0.53 H new ATOM 0 HG21 VAL A 34 3.529 -6.028 4.690 1.00 0.57 H new ATOM 0 HG22 VAL A 34 4.432 -5.301 6.040 1.00 0.57 H new ATOM 0 HG23 VAL A 34 4.309 -4.441 4.486 1.00 0.57 H new ATOM 543 N LYS A 35 9.193 -5.941 4.653 1.00 0.75 N ATOM 544 CA LYS A 35 10.425 -6.378 3.938 1.00 0.93 C ATOM 545 C LYS A 35 11.361 -7.051 4.949 1.00 1.39 C ATOM 546 O LYS A 35 11.541 -6.567 6.049 1.00 2.02 O ATOM 547 CB LYS A 35 11.121 -5.161 3.325 1.00 1.26 C ATOM 548 CG LYS A 35 11.034 -3.983 4.297 1.00 1.67 C ATOM 549 CD LYS A 35 11.436 -2.694 3.578 1.00 2.28 C ATOM 550 CE LYS A 35 11.733 -1.606 4.611 1.00 2.97 C ATOM 551 NZ LYS A 35 12.809 -0.712 4.097 1.00 3.65 N ATOM 0 H LYS A 35 9.295 -5.861 5.665 1.00 0.75 H new ATOM 0 HA LYS A 35 10.168 -7.078 3.143 1.00 0.93 H new ATOM 0 HB2 LYS A 35 12.164 -5.394 3.111 1.00 1.26 H new ATOM 0 HB3 LYS A 35 10.652 -4.899 2.376 1.00 1.26 H new ATOM 0 HG2 LYS A 35 10.020 -3.893 4.686 1.00 1.67 H new ATOM 0 HG3 LYS A 35 11.689 -4.154 5.151 1.00 1.67 H new ATOM 0 HD2 LYS A 35 12.314 -2.870 2.957 1.00 2.28 H new ATOM 0 HD3 LYS A 35 10.635 -2.371 2.913 1.00 2.28 H new ATOM 0 HE2 LYS A 35 10.832 -1.028 4.815 1.00 2.97 H new ATOM 0 HE3 LYS A 35 12.041 -2.059 5.553 1.00 2.97 H new ATOM 0 HZ1 LYS A 35 13.011 0.028 4.800 1.00 3.65 H new ATOM 0 HZ2 LYS A 35 13.670 -1.269 3.924 1.00 3.65 H new ATOM 0 HZ3 LYS A 35 12.498 -0.270 3.208 1.00 3.65 H new ATOM 565 N ASP A 36 11.952 -8.162 4.599 1.00 1.35 N ATOM 566 CA ASP A 36 12.859 -8.850 5.561 1.00 1.82 C ATOM 567 C ASP A 36 13.836 -7.833 6.154 1.00 2.34 C ATOM 568 O ASP A 36 13.752 -7.482 7.315 1.00 2.92 O ATOM 569 CB ASP A 36 13.644 -9.949 4.842 1.00 1.95 C ATOM 570 CG ASP A 36 14.155 -10.960 5.870 1.00 2.49 C ATOM 571 OD1 ASP A 36 13.457 -11.186 6.845 1.00 3.05 O ATOM 572 OD2 ASP A 36 15.234 -11.492 5.667 1.00 2.77 O ATOM 0 H ASP A 36 11.847 -8.620 3.694 1.00 1.35 H new ATOM 0 HA ASP A 36 12.264 -9.297 6.358 1.00 1.82 H new ATOM 0 HB2 ASP A 36 13.008 -10.447 4.110 1.00 1.95 H new ATOM 0 HB3 ASP A 36 14.481 -9.515 4.294 1.00 1.95 H new ATOM 577 N SER A 37 14.761 -7.357 5.367 1.00 2.81 N ATOM 578 CA SER A 37 15.742 -6.364 5.889 1.00 3.71 C ATOM 579 C SER A 37 16.310 -6.867 7.217 1.00 3.90 C ATOM 580 O SER A 37 16.748 -6.096 8.048 1.00 4.65 O ATOM 581 CB SER A 37 15.041 -5.023 6.109 1.00 4.53 C ATOM 582 OG SER A 37 14.515 -4.559 4.873 1.00 5.26 O ATOM 0 H SER A 37 14.880 -7.612 4.387 1.00 2.81 H new ATOM 0 HA SER A 37 16.551 -6.236 5.170 1.00 3.71 H new ATOM 0 HB2 SER A 37 14.240 -5.134 6.839 1.00 4.53 H new ATOM 0 HB3 SER A 37 15.743 -4.295 6.515 1.00 4.53 H new ATOM 0 HG SER A 37 14.064 -3.700 5.011 1.00 5.26 H new ATOM 588 N ALA A 38 16.300 -8.156 7.426 1.00 3.42 N ATOM 589 CA ALA A 38 16.834 -8.710 8.701 1.00 3.85 C ATOM 590 C ALA A 38 17.776 -9.880 8.403 1.00 3.69 C ATOM 591 O ALA A 38 18.775 -10.067 9.070 1.00 4.20 O ATOM 592 CB ALA A 38 15.669 -9.201 9.562 1.00 4.19 C ATOM 0 H ALA A 38 15.944 -8.849 6.767 1.00 3.42 H new ATOM 0 HA ALA A 38 17.384 -7.933 9.232 1.00 3.85 H new ATOM 0 HB1 ALA A 38 16.054 -9.608 10.497 1.00 4.19 H new ATOM 0 HB2 ALA A 38 14.999 -8.368 9.777 1.00 4.19 H new ATOM 0 HB3 ALA A 38 15.123 -9.977 9.026 1.00 4.19 H new ATOM 598 N THR A 39 17.468 -10.670 7.411 1.00 3.35 N ATOM 599 CA THR A 39 18.350 -11.826 7.081 1.00 3.86 C ATOM 600 C THR A 39 18.872 -11.683 5.649 1.00 4.02 C ATOM 601 O THR A 39 19.790 -12.368 5.242 1.00 4.72 O ATOM 602 CB THR A 39 17.555 -13.128 7.205 1.00 4.33 C ATOM 603 OG1 THR A 39 16.652 -13.027 8.296 1.00 4.35 O ATOM 604 CG2 THR A 39 18.516 -14.295 7.441 1.00 5.12 C ATOM 0 H THR A 39 16.646 -10.566 6.816 1.00 3.35 H new ATOM 0 HA THR A 39 19.192 -11.846 7.773 1.00 3.86 H new ATOM 0 HB THR A 39 16.996 -13.302 6.285 1.00 4.33 H new ATOM 0 HG1 THR A 39 16.141 -13.859 8.376 1.00 4.35 H new ATOM 0 HG21 THR A 39 17.949 -15.221 7.529 1.00 5.12 H new ATOM 0 HG22 THR A 39 19.208 -14.372 6.602 1.00 5.12 H new ATOM 0 HG23 THR A 39 19.077 -14.124 8.360 1.00 5.12 H new ATOM 612 N GLY A 40 18.296 -10.799 4.882 1.00 3.70 N ATOM 613 CA GLY A 40 18.764 -10.616 3.478 1.00 4.27 C ATOM 614 C GLY A 40 17.612 -10.891 2.510 1.00 3.84 C ATOM 615 O GLY A 40 17.809 -11.023 1.319 1.00 4.49 O ATOM 0 H GLY A 40 17.523 -10.196 5.165 1.00 3.70 H new ATOM 0 HA2 GLY A 40 19.135 -9.601 3.338 1.00 4.27 H new ATOM 0 HA3 GLY A 40 19.595 -11.290 3.271 1.00 4.27 H new ATOM 619 N LEU A 41 16.409 -10.976 3.010 1.00 3.01 N ATOM 620 CA LEU A 41 15.249 -11.237 2.115 1.00 2.89 C ATOM 621 C LEU A 41 14.528 -9.923 1.834 1.00 2.43 C ATOM 622 O LEU A 41 14.884 -8.884 2.354 1.00 2.72 O ATOM 623 CB LEU A 41 14.288 -12.218 2.790 1.00 3.43 C ATOM 624 CG LEU A 41 14.252 -13.524 1.994 1.00 4.41 C ATOM 625 CD1 LEU A 41 14.335 -14.713 2.954 1.00 5.26 C ATOM 626 CD2 LEU A 41 12.946 -13.599 1.199 1.00 5.07 C ATOM 0 H LEU A 41 16.181 -10.876 3.999 1.00 3.01 H new ATOM 0 HA LEU A 41 15.600 -11.669 1.178 1.00 2.89 H new ATOM 0 HB2 LEU A 41 14.609 -12.412 3.814 1.00 3.43 H new ATOM 0 HB3 LEU A 41 13.289 -11.785 2.845 1.00 3.43 H new ATOM 0 HG LEU A 41 15.099 -13.554 1.308 1.00 4.41 H new ATOM 0 HD11 LEU A 41 14.309 -15.642 2.385 1.00 5.26 H new ATOM 0 HD12 LEU A 41 15.265 -14.660 3.520 1.00 5.26 H new ATOM 0 HD13 LEU A 41 13.490 -14.685 3.642 1.00 5.26 H new ATOM 0 HD21 LEU A 41 12.919 -14.529 0.631 1.00 5.07 H new ATOM 0 HD22 LEU A 41 12.100 -13.568 1.885 1.00 5.07 H new ATOM 0 HD23 LEU A 41 12.888 -12.754 0.513 1.00 5.07 H new ATOM 638 N SER A 42 13.521 -9.957 1.011 1.00 2.38 N ATOM 639 CA SER A 42 12.782 -8.706 0.693 1.00 2.42 C ATOM 640 C SER A 42 11.334 -9.039 0.332 1.00 1.90 C ATOM 641 O SER A 42 11.014 -9.288 -0.813 1.00 2.14 O ATOM 642 CB SER A 42 13.454 -8.009 -0.491 1.00 3.15 C ATOM 643 OG SER A 42 13.268 -8.790 -1.664 1.00 3.82 O ATOM 0 H SER A 42 13.177 -10.796 0.544 1.00 2.38 H new ATOM 0 HA SER A 42 12.794 -8.048 1.562 1.00 2.42 H new ATOM 0 HB2 SER A 42 13.029 -7.015 -0.631 1.00 3.15 H new ATOM 0 HB3 SER A 42 14.518 -7.876 -0.294 1.00 3.15 H new ATOM 0 HG SER A 42 12.320 -8.786 -1.912 1.00 3.82 H new ATOM 649 N LYS A 43 10.455 -9.037 1.299 1.00 1.42 N ATOM 650 CA LYS A 43 9.027 -9.342 1.005 1.00 1.06 C ATOM 651 C LYS A 43 8.616 -8.587 -0.257 1.00 0.86 C ATOM 652 O LYS A 43 8.238 -9.174 -1.251 1.00 1.50 O ATOM 653 CB LYS A 43 8.158 -8.890 2.178 1.00 0.88 C ATOM 654 CG LYS A 43 8.532 -9.687 3.429 1.00 1.20 C ATOM 655 CD LYS A 43 7.656 -10.938 3.516 1.00 1.38 C ATOM 656 CE LYS A 43 8.305 -11.953 4.458 1.00 2.00 C ATOM 657 NZ LYS A 43 7.670 -13.286 4.263 1.00 2.36 N ATOM 0 H LYS A 43 10.665 -8.838 2.277 1.00 1.42 H new ATOM 0 HA LYS A 43 8.897 -10.414 0.856 1.00 1.06 H new ATOM 0 HB2 LYS A 43 8.298 -7.824 2.358 1.00 0.88 H new ATOM 0 HB3 LYS A 43 7.104 -9.038 1.942 1.00 0.88 H new ATOM 0 HG2 LYS A 43 9.584 -9.969 3.393 1.00 1.20 H new ATOM 0 HG3 LYS A 43 8.397 -9.072 4.319 1.00 1.20 H new ATOM 0 HD2 LYS A 43 6.662 -10.674 3.878 1.00 1.38 H new ATOM 0 HD3 LYS A 43 7.529 -11.375 2.526 1.00 1.38 H new ATOM 0 HE2 LYS A 43 9.375 -12.016 4.261 1.00 2.00 H new ATOM 0 HE3 LYS A 43 8.189 -11.631 5.493 1.00 2.00 H new ATOM 0 HZ1 LYS A 43 8.110 -13.977 4.903 1.00 2.36 H new ATOM 0 HZ2 LYS A 43 6.653 -13.220 4.471 1.00 2.36 H new ATOM 0 HZ3 LYS A 43 7.802 -13.593 3.278 1.00 2.36 H new ATOM 671 N GLY A 44 8.708 -7.286 -0.230 1.00 0.67 N ATOM 672 CA GLY A 44 8.347 -6.490 -1.433 1.00 0.60 C ATOM 673 C GLY A 44 6.912 -5.970 -1.327 1.00 0.52 C ATOM 674 O GLY A 44 6.234 -5.816 -2.323 1.00 0.66 O ATOM 0 H GLY A 44 9.018 -6.741 0.574 1.00 0.67 H new ATOM 0 HA2 GLY A 44 9.036 -5.652 -1.541 1.00 0.60 H new ATOM 0 HA3 GLY A 44 8.451 -7.105 -2.327 1.00 0.60 H new ATOM 678 N TYR A 45 6.437 -5.678 -0.145 1.00 0.37 N ATOM 679 CA TYR A 45 5.044 -5.151 -0.041 1.00 0.32 C ATOM 680 C TYR A 45 4.866 -4.407 1.278 1.00 0.27 C ATOM 681 O TYR A 45 5.660 -4.534 2.186 1.00 0.33 O ATOM 682 CB TYR A 45 4.029 -6.295 -0.148 1.00 0.33 C ATOM 683 CG TYR A 45 4.109 -7.195 1.063 1.00 0.42 C ATOM 684 CD1 TYR A 45 3.525 -6.800 2.272 1.00 1.24 C ATOM 685 CD2 TYR A 45 4.752 -8.435 0.969 1.00 1.33 C ATOM 686 CE1 TYR A 45 3.586 -7.645 3.387 1.00 1.29 C ATOM 687 CE2 TYR A 45 4.810 -9.280 2.083 1.00 1.43 C ATOM 688 CZ TYR A 45 4.228 -8.885 3.292 1.00 0.76 C ATOM 689 OH TYR A 45 4.285 -9.718 4.390 1.00 0.95 O ATOM 0 H TYR A 45 6.941 -5.778 0.736 1.00 0.37 H new ATOM 0 HA TYR A 45 4.869 -4.458 -0.864 1.00 0.32 H new ATOM 0 HB2 TYR A 45 3.022 -5.887 -0.238 1.00 0.33 H new ATOM 0 HB3 TYR A 45 4.220 -6.874 -1.051 1.00 0.33 H new ATOM 0 HD1 TYR A 45 3.028 -5.844 2.345 1.00 1.24 H new ATOM 0 HD2 TYR A 45 5.203 -8.740 0.036 1.00 1.33 H new ATOM 0 HE1 TYR A 45 3.137 -7.340 4.321 1.00 1.29 H new ATOM 0 HE2 TYR A 45 5.304 -10.237 2.009 1.00 1.43 H new ATOM 0 HH TYR A 45 3.642 -9.415 5.064 1.00 0.95 H new ATOM 699 N ALA A 46 3.836 -3.612 1.380 1.00 0.23 N ATOM 700 CA ALA A 46 3.615 -2.836 2.632 1.00 0.21 C ATOM 701 C ALA A 46 2.115 -2.687 2.897 1.00 0.26 C ATOM 702 O ALA A 46 1.293 -3.305 2.252 1.00 0.58 O ATOM 703 CB ALA A 46 4.238 -1.448 2.471 1.00 0.21 C ATOM 0 H ALA A 46 3.138 -3.467 0.650 1.00 0.23 H new ATOM 0 HA ALA A 46 4.075 -3.360 3.470 1.00 0.21 H new ATOM 0 HB1 ALA A 46 4.082 -0.871 3.383 1.00 0.21 H new ATOM 0 HB2 ALA A 46 5.307 -1.549 2.284 1.00 0.21 H new ATOM 0 HB3 ALA A 46 3.770 -0.934 1.632 1.00 0.21 H new ATOM 709 N PHE A 47 1.756 -1.862 3.844 1.00 0.20 N ATOM 710 CA PHE A 47 0.315 -1.657 4.158 1.00 0.21 C ATOM 711 C PHE A 47 0.076 -0.180 4.475 1.00 0.21 C ATOM 712 O PHE A 47 0.990 0.545 4.810 1.00 0.29 O ATOM 713 CB PHE A 47 -0.070 -2.498 5.375 1.00 0.27 C ATOM 714 CG PHE A 47 -0.147 -3.954 4.987 1.00 0.25 C ATOM 715 CD1 PHE A 47 -1.251 -4.431 4.270 1.00 1.15 C ATOM 716 CD2 PHE A 47 0.883 -4.829 5.349 1.00 1.26 C ATOM 717 CE1 PHE A 47 -1.323 -5.783 3.914 1.00 1.15 C ATOM 718 CE2 PHE A 47 0.811 -6.181 4.994 1.00 1.29 C ATOM 719 CZ PHE A 47 -0.292 -6.658 4.276 1.00 0.36 C ATOM 0 H PHE A 47 2.403 -1.319 4.416 1.00 0.20 H new ATOM 0 HA PHE A 47 -0.289 -1.957 3.302 1.00 0.21 H new ATOM 0 HB2 PHE A 47 0.664 -2.362 6.169 1.00 0.27 H new ATOM 0 HB3 PHE A 47 -1.031 -2.166 5.769 1.00 0.27 H new ATOM 0 HD1 PHE A 47 -2.047 -3.756 3.992 1.00 1.15 H new ATOM 0 HD2 PHE A 47 1.734 -4.461 5.903 1.00 1.26 H new ATOM 0 HE1 PHE A 47 -2.174 -6.151 3.360 1.00 1.15 H new ATOM 0 HE2 PHE A 47 1.606 -6.856 5.274 1.00 1.29 H new ATOM 0 HZ PHE A 47 -0.348 -7.701 4.001 1.00 0.36 H new ATOM 729 N CYS A 48 -1.143 0.273 4.376 1.00 0.19 N ATOM 730 CA CYS A 48 -1.426 1.705 4.678 1.00 0.19 C ATOM 731 C CYS A 48 -2.929 1.903 4.854 1.00 0.22 C ATOM 732 O CYS A 48 -3.714 1.000 4.649 1.00 0.35 O ATOM 733 CB CYS A 48 -0.933 2.581 3.524 1.00 0.20 C ATOM 734 SG CYS A 48 -1.918 2.243 2.045 1.00 0.31 S ATOM 0 H CYS A 48 -1.952 -0.283 4.100 1.00 0.19 H new ATOM 0 HA CYS A 48 -0.910 1.987 5.596 1.00 0.19 H new ATOM 0 HB2 CYS A 48 -1.012 3.634 3.794 1.00 0.20 H new ATOM 0 HB3 CYS A 48 0.120 2.381 3.326 1.00 0.20 H new ATOM 0 HG CYS A 48 -1.811 3.238 1.216 1.00 0.31 H new ATOM 740 N GLU A 49 -3.334 3.082 5.230 1.00 0.16 N ATOM 741 CA GLU A 49 -4.786 3.349 5.415 1.00 0.19 C ATOM 742 C GLU A 49 -5.044 4.842 5.239 1.00 0.17 C ATOM 743 O GLU A 49 -4.231 5.668 5.609 1.00 0.19 O ATOM 744 CB GLU A 49 -5.216 2.927 6.819 1.00 0.23 C ATOM 745 CG GLU A 49 -4.508 1.625 7.200 1.00 0.24 C ATOM 746 CD GLU A 49 -4.960 1.186 8.594 1.00 0.32 C ATOM 747 OE1 GLU A 49 -6.108 1.431 8.927 1.00 1.24 O ATOM 748 OE2 GLU A 49 -4.151 0.614 9.305 1.00 0.99 O ATOM 0 H GLU A 49 -2.720 3.875 5.418 1.00 0.16 H new ATOM 0 HA GLU A 49 -5.355 2.782 4.679 1.00 0.19 H new ATOM 0 HB2 GLU A 49 -4.971 3.710 7.537 1.00 0.23 H new ATOM 0 HB3 GLU A 49 -6.297 2.789 6.854 1.00 0.23 H new ATOM 0 HG2 GLU A 49 -4.736 0.848 6.471 1.00 0.24 H new ATOM 0 HG3 GLU A 49 -3.428 1.769 7.185 1.00 0.24 H new ATOM 755 N TYR A 50 -6.169 5.191 4.677 1.00 0.19 N ATOM 756 CA TYR A 50 -6.493 6.629 4.468 1.00 0.19 C ATOM 757 C TYR A 50 -7.456 7.102 5.558 1.00 0.20 C ATOM 758 O TYR A 50 -8.023 6.311 6.285 1.00 0.23 O ATOM 759 CB TYR A 50 -7.171 6.805 3.110 1.00 0.21 C ATOM 760 CG TYR A 50 -6.147 6.721 2.006 1.00 0.20 C ATOM 761 CD1 TYR A 50 -5.040 7.575 2.014 1.00 1.25 C ATOM 762 CD2 TYR A 50 -6.311 5.794 0.969 1.00 1.21 C ATOM 763 CE1 TYR A 50 -4.093 7.504 0.986 1.00 1.26 C ATOM 764 CE2 TYR A 50 -5.366 5.723 -0.061 1.00 1.20 C ATOM 765 CZ TYR A 50 -4.256 6.578 -0.052 1.00 0.23 C ATOM 766 OH TYR A 50 -3.326 6.512 -1.068 1.00 0.27 O ATOM 0 H TYR A 50 -6.881 4.537 4.352 1.00 0.19 H new ATOM 0 HA TYR A 50 -5.572 7.211 4.506 1.00 0.19 H new ATOM 0 HB2 TYR A 50 -7.931 6.036 2.971 1.00 0.21 H new ATOM 0 HB3 TYR A 50 -7.681 7.767 3.071 1.00 0.21 H new ATOM 0 HD1 TYR A 50 -4.916 8.290 2.814 1.00 1.25 H new ATOM 0 HD2 TYR A 50 -7.166 5.134 0.964 1.00 1.21 H new ATOM 0 HE1 TYR A 50 -3.237 8.163 0.993 1.00 1.26 H new ATOM 0 HE2 TYR A 50 -5.492 5.010 -0.862 1.00 1.20 H new ATOM 0 HH TYR A 50 -2.656 7.216 -0.944 1.00 0.27 H new ATOM 776 N VAL A 51 -7.665 8.386 5.661 1.00 0.23 N ATOM 777 CA VAL A 51 -8.613 8.903 6.684 1.00 0.24 C ATOM 778 C VAL A 51 -10.033 8.751 6.140 1.00 0.23 C ATOM 779 O VAL A 51 -10.961 8.443 6.860 1.00 0.26 O ATOM 780 CB VAL A 51 -8.323 10.380 6.960 1.00 0.28 C ATOM 781 CG1 VAL A 51 -9.301 10.905 8.013 1.00 0.33 C ATOM 782 CG2 VAL A 51 -6.891 10.529 7.478 1.00 0.32 C ATOM 0 H VAL A 51 -7.220 9.097 5.081 1.00 0.23 H new ATOM 0 HA VAL A 51 -8.503 8.345 7.614 1.00 0.24 H new ATOM 0 HB VAL A 51 -8.440 10.951 6.039 1.00 0.28 H new ATOM 0 HG11 VAL A 51 -9.094 11.957 8.209 1.00 0.33 H new ATOM 0 HG12 VAL A 51 -10.322 10.798 7.647 1.00 0.33 H new ATOM 0 HG13 VAL A 51 -9.185 10.334 8.934 1.00 0.33 H new ATOM 0 HG21 VAL A 51 -6.683 11.581 7.675 1.00 0.32 H new ATOM 0 HG22 VAL A 51 -6.776 9.958 8.399 1.00 0.32 H new ATOM 0 HG23 VAL A 51 -6.193 10.155 6.729 1.00 0.32 H new ATOM 792 N ASP A 52 -10.198 8.960 4.862 1.00 0.23 N ATOM 793 CA ASP A 52 -11.543 8.824 4.243 1.00 0.24 C ATOM 794 C ASP A 52 -11.656 7.440 3.597 1.00 0.21 C ATOM 795 O ASP A 52 -10.670 6.757 3.402 1.00 0.21 O ATOM 796 CB ASP A 52 -11.707 9.900 3.170 1.00 0.27 C ATOM 797 CG ASP A 52 -13.194 10.125 2.890 1.00 0.31 C ATOM 798 OD1 ASP A 52 -13.998 9.759 3.731 1.00 1.11 O ATOM 799 OD2 ASP A 52 -13.504 10.661 1.838 1.00 1.14 O ATOM 0 H ASP A 52 -9.452 9.221 4.217 1.00 0.23 H new ATOM 0 HA ASP A 52 -12.318 8.940 5.001 1.00 0.24 H new ATOM 0 HB2 ASP A 52 -11.244 10.830 3.500 1.00 0.27 H new ATOM 0 HB3 ASP A 52 -11.197 9.597 2.256 1.00 0.27 H new ATOM 804 N ILE A 53 -12.844 7.018 3.263 1.00 0.23 N ATOM 805 CA ILE A 53 -13.004 5.678 2.629 1.00 0.23 C ATOM 806 C ILE A 53 -12.908 5.815 1.108 1.00 0.23 C ATOM 807 O ILE A 53 -12.129 5.142 0.463 1.00 0.32 O ATOM 808 CB ILE A 53 -14.368 5.096 3.004 1.00 0.29 C ATOM 809 CG1 ILE A 53 -14.393 4.776 4.501 1.00 0.44 C ATOM 810 CG2 ILE A 53 -14.613 3.814 2.207 1.00 0.42 C ATOM 811 CD1 ILE A 53 -14.428 6.078 5.302 1.00 0.86 C ATOM 0 H ILE A 53 -13.709 7.541 3.401 1.00 0.23 H new ATOM 0 HA ILE A 53 -12.215 5.014 2.983 1.00 0.23 H new ATOM 0 HB ILE A 53 -15.147 5.823 2.774 1.00 0.29 H new ATOM 0 HG12 ILE A 53 -15.265 4.167 4.739 1.00 0.44 H new ATOM 0 HG13 ILE A 53 -13.513 4.193 4.773 1.00 0.44 H new ATOM 0 HG21 ILE A 53 -15.585 3.399 2.474 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -14.596 4.040 1.141 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -13.833 3.088 2.437 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -14.446 5.849 6.368 1.00 0.86 H new ATOM 0 HD12 ILE A 53 -13.542 6.670 5.073 1.00 0.86 H new ATOM 0 HD13 ILE A 53 -15.321 6.644 5.037 1.00 0.86 H new ATOM 823 N ASN A 54 -13.694 6.681 0.528 1.00 0.23 N ATOM 824 CA ASN A 54 -13.645 6.858 -0.950 1.00 0.26 C ATOM 825 C ASN A 54 -12.191 7.039 -1.392 1.00 0.24 C ATOM 826 O ASN A 54 -11.750 6.461 -2.366 1.00 0.28 O ATOM 827 CB ASN A 54 -14.457 8.095 -1.339 1.00 0.31 C ATOM 828 CG ASN A 54 -14.250 8.398 -2.824 1.00 0.38 C ATOM 829 OD1 ASN A 54 -14.412 7.532 -3.661 1.00 0.56 O ATOM 830 ND2 ASN A 54 -13.899 9.601 -3.189 1.00 0.58 N ATOM 0 H ASN A 54 -14.367 7.273 1.014 1.00 0.23 H new ATOM 0 HA ASN A 54 -14.065 5.979 -1.439 1.00 0.26 H new ATOM 0 HB2 ASN A 54 -15.515 7.927 -1.136 1.00 0.31 H new ATOM 0 HB3 ASN A 54 -14.148 8.949 -0.737 1.00 0.31 H new ATOM 0 HD21 ASN A 54 -13.761 9.814 -4.177 1.00 0.58 H new ATOM 0 HD22 ASN A 54 -13.763 10.328 -2.486 1.00 0.58 H new ATOM 837 N VAL A 55 -11.444 7.836 -0.680 1.00 0.24 N ATOM 838 CA VAL A 55 -10.018 8.057 -1.052 1.00 0.25 C ATOM 839 C VAL A 55 -9.347 6.713 -1.339 1.00 0.23 C ATOM 840 O VAL A 55 -8.629 6.560 -2.306 1.00 0.28 O ATOM 841 CB VAL A 55 -9.297 8.744 0.107 1.00 0.26 C ATOM 842 CG1 VAL A 55 -7.793 8.765 -0.165 1.00 0.29 C ATOM 843 CG2 VAL A 55 -9.810 10.179 0.247 1.00 0.30 C ATOM 0 H VAL A 55 -11.760 8.345 0.145 1.00 0.24 H new ATOM 0 HA VAL A 55 -9.968 8.684 -1.942 1.00 0.25 H new ATOM 0 HB VAL A 55 -9.490 8.196 1.029 1.00 0.26 H new ATOM 0 HG11 VAL A 55 -7.280 9.255 0.663 1.00 0.29 H new ATOM 0 HG12 VAL A 55 -7.427 7.743 -0.264 1.00 0.29 H new ATOM 0 HG13 VAL A 55 -7.598 9.312 -1.088 1.00 0.29 H new ATOM 0 HG21 VAL A 55 -9.296 10.670 1.074 1.00 0.30 H new ATOM 0 HG22 VAL A 55 -9.618 10.726 -0.676 1.00 0.30 H new ATOM 0 HG23 VAL A 55 -10.882 10.165 0.443 1.00 0.30 H new ATOM 853 N THR A 56 -9.574 5.740 -0.502 1.00 0.21 N ATOM 854 CA THR A 56 -8.948 4.406 -0.721 1.00 0.24 C ATOM 855 C THR A 56 -9.355 3.861 -2.092 1.00 0.26 C ATOM 856 O THR A 56 -8.521 3.478 -2.889 1.00 0.33 O ATOM 857 CB THR A 56 -9.416 3.450 0.374 1.00 0.25 C ATOM 858 OG1 THR A 56 -8.652 3.677 1.549 1.00 0.28 O ATOM 859 CG2 THR A 56 -9.229 2.004 -0.089 1.00 0.30 C ATOM 0 H THR A 56 -10.167 5.811 0.325 1.00 0.21 H new ATOM 0 HA THR A 56 -7.863 4.501 -0.686 1.00 0.24 H new ATOM 0 HB THR A 56 -10.471 3.624 0.584 1.00 0.25 H new ATOM 0 HG1 THR A 56 -8.950 3.067 2.256 1.00 0.28 H new ATOM 0 HG21 THR A 56 -9.564 1.325 0.695 1.00 0.30 H new ATOM 0 HG22 THR A 56 -9.814 1.833 -0.992 1.00 0.30 H new ATOM 0 HG23 THR A 56 -8.175 1.823 -0.300 1.00 0.30 H new ATOM 867 N ASP A 57 -10.628 3.821 -2.376 1.00 0.25 N ATOM 868 CA ASP A 57 -11.077 3.299 -3.698 1.00 0.30 C ATOM 869 C ASP A 57 -10.467 4.150 -4.812 1.00 0.31 C ATOM 870 O ASP A 57 -10.422 3.750 -5.959 1.00 0.41 O ATOM 871 CB ASP A 57 -12.604 3.361 -3.779 1.00 0.37 C ATOM 872 CG ASP A 57 -13.169 1.942 -3.868 1.00 0.93 C ATOM 873 OD1 ASP A 57 -12.859 1.261 -4.832 1.00 1.88 O ATOM 874 OD2 ASP A 57 -13.901 1.559 -2.970 1.00 1.31 O ATOM 0 H ASP A 57 -11.375 4.126 -1.752 1.00 0.25 H new ATOM 0 HA ASP A 57 -10.752 2.265 -3.813 1.00 0.30 H new ATOM 0 HB2 ASP A 57 -13.005 3.869 -2.902 1.00 0.37 H new ATOM 0 HB3 ASP A 57 -12.909 3.941 -4.650 1.00 0.37 H new ATOM 879 N GLN A 58 -9.992 5.320 -4.484 1.00 0.28 N ATOM 880 CA GLN A 58 -9.379 6.194 -5.522 1.00 0.30 C ATOM 881 C GLN A 58 -7.939 5.744 -5.773 1.00 0.29 C ATOM 882 O GLN A 58 -7.493 5.654 -6.899 1.00 0.34 O ATOM 883 CB GLN A 58 -9.380 7.643 -5.034 1.00 0.32 C ATOM 884 CG GLN A 58 -9.048 8.577 -6.199 1.00 0.39 C ATOM 885 CD GLN A 58 -9.166 10.030 -5.737 1.00 0.51 C ATOM 886 OE1 GLN A 58 -9.352 10.922 -6.541 1.00 0.86 O ATOM 887 NE2 GLN A 58 -9.063 10.309 -4.466 1.00 0.59 N ATOM 0 H GLN A 58 -10.002 5.708 -3.541 1.00 0.28 H new ATOM 0 HA GLN A 58 -9.953 6.122 -6.446 1.00 0.30 H new ATOM 0 HB2 GLN A 58 -10.355 7.897 -4.618 1.00 0.32 H new ATOM 0 HB3 GLN A 58 -8.650 7.769 -4.235 1.00 0.32 H new ATOM 0 HG2 GLN A 58 -8.039 8.380 -6.561 1.00 0.39 H new ATOM 0 HG3 GLN A 58 -9.727 8.393 -7.032 1.00 0.39 H new ATOM 0 HE21 GLN A 58 -8.907 9.561 -3.791 1.00 0.59 H new ATOM 0 HE22 GLN A 58 -9.139 11.275 -4.148 1.00 0.59 H new ATOM 896 N ALA A 59 -7.210 5.462 -4.728 1.00 0.27 N ATOM 897 CA ALA A 59 -5.798 5.019 -4.898 1.00 0.31 C ATOM 898 C ALA A 59 -5.759 3.716 -5.701 1.00 0.33 C ATOM 899 O ALA A 59 -4.819 3.452 -6.424 1.00 0.40 O ATOM 900 CB ALA A 59 -5.168 4.789 -3.523 1.00 0.34 C ATOM 0 H ALA A 59 -7.532 5.520 -3.762 1.00 0.27 H new ATOM 0 HA ALA A 59 -5.240 5.788 -5.432 1.00 0.31 H new ATOM 0 HB1 ALA A 59 -4.135 4.465 -3.646 1.00 0.34 H new ATOM 0 HB2 ALA A 59 -5.192 5.717 -2.952 1.00 0.34 H new ATOM 0 HB3 ALA A 59 -5.728 4.021 -2.990 1.00 0.34 H new ATOM 906 N ILE A 60 -6.771 2.899 -5.581 1.00 0.32 N ATOM 907 CA ILE A 60 -6.782 1.617 -6.341 1.00 0.38 C ATOM 908 C ILE A 60 -7.060 1.904 -7.816 1.00 0.43 C ATOM 909 O ILE A 60 -6.614 1.191 -8.693 1.00 0.50 O ATOM 910 CB ILE A 60 -7.873 0.703 -5.784 1.00 0.41 C ATOM 911 CG1 ILE A 60 -7.591 0.421 -4.308 1.00 0.42 C ATOM 912 CG2 ILE A 60 -7.883 -0.615 -6.561 1.00 0.48 C ATOM 913 CD1 ILE A 60 -8.548 -0.660 -3.802 1.00 0.64 C ATOM 0 H ILE A 60 -7.587 3.063 -4.992 1.00 0.32 H new ATOM 0 HA ILE A 60 -5.814 1.127 -6.242 1.00 0.38 H new ATOM 0 HB ILE A 60 -8.843 1.190 -5.885 1.00 0.41 H new ATOM 0 HG12 ILE A 60 -6.558 0.096 -4.180 1.00 0.42 H new ATOM 0 HG13 ILE A 60 -7.713 1.333 -3.723 1.00 0.42 H new ATOM 0 HG21 ILE A 60 -8.661 -1.266 -6.163 1.00 0.48 H new ATOM 0 HG22 ILE A 60 -8.081 -0.415 -7.614 1.00 0.48 H new ATOM 0 HG23 ILE A 60 -6.914 -1.104 -6.460 1.00 0.48 H new ATOM 0 HD11 ILE A 60 -8.347 -0.861 -2.750 1.00 0.64 H new ATOM 0 HD12 ILE A 60 -9.577 -0.318 -3.916 1.00 0.64 H new ATOM 0 HD13 ILE A 60 -8.404 -1.573 -4.380 1.00 0.64 H new ATOM 925 N ALA A 61 -7.793 2.944 -8.096 1.00 0.42 N ATOM 926 CA ALA A 61 -8.100 3.279 -9.514 1.00 0.51 C ATOM 927 C ALA A 61 -6.871 3.917 -10.166 1.00 0.51 C ATOM 928 O ALA A 61 -6.777 4.012 -11.373 1.00 0.62 O ATOM 929 CB ALA A 61 -9.272 4.262 -9.564 1.00 0.60 C ATOM 0 H ALA A 61 -8.193 3.577 -7.404 1.00 0.42 H new ATOM 0 HA ALA A 61 -8.365 2.369 -10.052 1.00 0.51 H new ATOM 0 HB1 ALA A 61 -9.497 4.507 -10.602 1.00 0.60 H new ATOM 0 HB2 ALA A 61 -10.148 3.808 -9.100 1.00 0.60 H new ATOM 0 HB3 ALA A 61 -9.007 5.172 -9.025 1.00 0.60 H new ATOM 935 N GLY A 62 -5.929 4.358 -9.376 1.00 0.50 N ATOM 936 CA GLY A 62 -4.710 4.991 -9.954 1.00 0.55 C ATOM 937 C GLY A 62 -3.473 4.179 -9.564 1.00 0.51 C ATOM 938 O GLY A 62 -2.364 4.675 -9.584 1.00 0.62 O ATOM 0 H GLY A 62 -5.951 4.307 -8.358 1.00 0.50 H new ATOM 0 HA2 GLY A 62 -4.795 5.043 -11.039 1.00 0.55 H new ATOM 0 HA3 GLY A 62 -4.614 6.015 -9.592 1.00 0.55 H new ATOM 942 N LEU A 63 -3.651 2.936 -9.209 1.00 0.48 N ATOM 943 CA LEU A 63 -2.481 2.099 -8.820 1.00 0.50 C ATOM 944 C LEU A 63 -2.738 0.642 -9.214 1.00 0.48 C ATOM 945 O LEU A 63 -2.019 0.068 -10.008 1.00 0.62 O ATOM 946 CB LEU A 63 -2.272 2.186 -7.307 1.00 0.57 C ATOM 947 CG LEU A 63 -1.827 3.601 -6.932 1.00 0.73 C ATOM 948 CD1 LEU A 63 -1.922 3.780 -5.416 1.00 0.99 C ATOM 949 CD2 LEU A 63 -0.379 3.816 -7.378 1.00 0.87 C ATOM 0 H LEU A 63 -4.555 2.464 -9.172 1.00 0.48 H new ATOM 0 HA LEU A 63 -1.591 2.462 -9.333 1.00 0.50 H new ATOM 0 HB2 LEU A 63 -3.196 1.935 -6.787 1.00 0.57 H new ATOM 0 HB3 LEU A 63 -1.521 1.462 -6.991 1.00 0.57 H new ATOM 0 HG LEU A 63 -2.472 4.327 -7.427 1.00 0.73 H new ATOM 0 HD11 LEU A 63 -1.605 4.788 -5.148 1.00 0.99 H new ATOM 0 HD12 LEU A 63 -2.952 3.626 -5.095 1.00 0.99 H new ATOM 0 HD13 LEU A 63 -1.276 3.053 -4.923 1.00 0.99 H new ATOM 0 HD21 LEU A 63 -0.062 4.824 -7.111 1.00 0.87 H new ATOM 0 HD22 LEU A 63 0.266 3.090 -6.883 1.00 0.87 H new ATOM 0 HD23 LEU A 63 -0.308 3.688 -8.458 1.00 0.87 H new ATOM 961 N ASN A 64 -3.757 0.040 -8.664 1.00 0.50 N ATOM 962 CA ASN A 64 -4.060 -1.380 -9.003 1.00 0.57 C ATOM 963 C ASN A 64 -3.916 -1.592 -10.511 1.00 0.54 C ATOM 964 O ASN A 64 -4.645 -1.024 -11.301 1.00 0.65 O ATOM 965 CB ASN A 64 -5.491 -1.712 -8.577 1.00 0.68 C ATOM 966 CG ASN A 64 -5.844 -3.126 -9.040 1.00 0.98 C ATOM 967 OD1 ASN A 64 -6.894 -3.348 -9.609 1.00 1.78 O ATOM 968 ND2 ASN A 64 -5.004 -4.100 -8.818 1.00 1.56 N ATOM 0 H ASN A 64 -4.394 0.471 -7.994 1.00 0.50 H new ATOM 0 HA ASN A 64 -3.362 -2.032 -8.478 1.00 0.57 H new ATOM 0 HB2 ASN A 64 -5.586 -1.638 -7.494 1.00 0.68 H new ATOM 0 HB3 ASN A 64 -6.187 -0.992 -9.008 1.00 0.68 H new ATOM 0 HD21 ASN A 64 -5.229 -5.047 -9.122 1.00 1.56 H new ATOM 0 HD22 ASN A 64 -4.122 -3.914 -8.340 1.00 1.56 H new ATOM 975 N GLY A 65 -2.983 -2.410 -10.918 1.00 0.54 N ATOM 976 CA GLY A 65 -2.794 -2.662 -12.374 1.00 0.60 C ATOM 977 C GLY A 65 -1.686 -1.754 -12.910 1.00 0.61 C ATOM 978 O GLY A 65 -1.886 -0.998 -13.841 1.00 0.65 O ATOM 0 H GLY A 65 -2.344 -2.915 -10.304 1.00 0.54 H new ATOM 0 HA2 GLY A 65 -2.535 -3.707 -12.542 1.00 0.60 H new ATOM 0 HA3 GLY A 65 -3.724 -2.474 -12.910 1.00 0.60 H new ATOM 982 N MET A 66 -0.517 -1.819 -12.330 1.00 0.74 N ATOM 983 CA MET A 66 0.601 -0.957 -12.808 1.00 0.85 C ATOM 984 C MET A 66 1.885 -1.785 -12.898 1.00 0.89 C ATOM 985 O MET A 66 2.806 -1.607 -12.126 1.00 0.98 O ATOM 986 CB MET A 66 0.807 0.199 -11.827 1.00 0.94 C ATOM 987 CG MET A 66 1.969 1.072 -12.305 1.00 1.11 C ATOM 988 SD MET A 66 1.751 2.758 -11.684 1.00 1.46 S ATOM 989 CE MET A 66 2.886 3.572 -12.835 1.00 2.04 C ATOM 0 H MET A 66 -0.289 -2.431 -11.547 1.00 0.74 H new ATOM 0 HA MET A 66 0.357 -0.560 -13.793 1.00 0.85 H new ATOM 0 HB2 MET A 66 -0.103 0.794 -11.754 1.00 0.94 H new ATOM 0 HB3 MET A 66 1.016 -0.189 -10.830 1.00 0.94 H new ATOM 0 HG2 MET A 66 2.915 0.662 -11.952 1.00 1.11 H new ATOM 0 HG3 MET A 66 2.011 1.077 -13.394 1.00 1.11 H new ATOM 0 HE1 MET A 66 2.908 4.642 -12.629 1.00 2.04 H new ATOM 0 HE2 MET A 66 3.887 3.158 -12.713 1.00 2.04 H new ATOM 0 HE3 MET A 66 2.547 3.407 -13.858 1.00 2.04 H new ATOM 999 N GLN A 67 1.954 -2.687 -13.839 1.00 0.92 N ATOM 1000 CA GLN A 67 3.177 -3.527 -13.984 1.00 1.03 C ATOM 1001 C GLN A 67 4.416 -2.637 -13.965 1.00 1.14 C ATOM 1002 O GLN A 67 4.331 -1.425 -13.984 1.00 1.16 O ATOM 1003 CB GLN A 67 3.114 -4.285 -15.312 1.00 1.13 C ATOM 1004 CG GLN A 67 4.227 -5.332 -15.392 1.00 1.40 C ATOM 1005 CD GLN A 67 5.418 -4.755 -16.160 1.00 1.74 C ATOM 1006 OE1 GLN A 67 5.307 -3.722 -16.789 1.00 2.30 O ATOM 1007 NE2 GLN A 67 6.562 -5.382 -16.133 1.00 2.18 N ATOM 0 H GLN A 67 1.215 -2.879 -14.515 1.00 0.92 H new ATOM 0 HA GLN A 67 3.231 -4.237 -13.158 1.00 1.03 H new ATOM 0 HB2 GLN A 67 2.143 -4.771 -15.413 1.00 1.13 H new ATOM 0 HB3 GLN A 67 3.208 -3.584 -16.141 1.00 1.13 H new ATOM 0 HG2 GLN A 67 4.536 -5.627 -14.389 1.00 1.40 H new ATOM 0 HG3 GLN A 67 3.861 -6.230 -15.890 1.00 1.40 H new ATOM 0 HE21 GLN A 67 6.656 -6.250 -15.605 1.00 2.18 H new ATOM 0 HE22 GLN A 67 7.363 -5.005 -16.640 1.00 2.18 H new ATOM 1016 N LEU A 68 5.564 -3.240 -13.926 1.00 1.28 N ATOM 1017 CA LEU A 68 6.830 -2.452 -13.904 1.00 1.47 C ATOM 1018 C LEU A 68 7.814 -3.029 -14.924 1.00 1.77 C ATOM 1019 O LEU A 68 8.025 -2.472 -15.983 1.00 2.44 O ATOM 1020 CB LEU A 68 7.448 -2.524 -12.506 1.00 1.47 C ATOM 1021 CG LEU A 68 8.700 -1.648 -12.452 1.00 1.80 C ATOM 1022 CD1 LEU A 68 8.291 -0.181 -12.306 1.00 1.83 C ATOM 1023 CD2 LEU A 68 9.556 -2.062 -11.252 1.00 2.15 C ATOM 0 H LEU A 68 5.686 -4.253 -13.908 1.00 1.28 H new ATOM 0 HA LEU A 68 6.614 -1.414 -14.157 1.00 1.47 H new ATOM 0 HB2 LEU A 68 6.726 -2.190 -11.761 1.00 1.47 H new ATOM 0 HB3 LEU A 68 7.703 -3.556 -12.263 1.00 1.47 H new ATOM 0 HG LEU A 68 9.274 -1.774 -13.370 1.00 1.80 H new ATOM 0 HD11 LEU A 68 9.184 0.443 -12.267 1.00 1.83 H new ATOM 0 HD12 LEU A 68 7.679 0.113 -13.159 1.00 1.83 H new ATOM 0 HD13 LEU A 68 7.718 -0.053 -11.387 1.00 1.83 H new ATOM 0 HD21 LEU A 68 10.450 -1.439 -11.210 1.00 2.15 H new ATOM 0 HD22 LEU A 68 8.982 -1.934 -10.334 1.00 2.15 H new ATOM 0 HD23 LEU A 68 9.847 -3.107 -11.356 1.00 2.15 H new ATOM 1035 N GLY A 69 8.417 -4.140 -14.609 1.00 1.86 N ATOM 1036 CA GLY A 69 9.390 -4.761 -15.552 1.00 2.11 C ATOM 1037 C GLY A 69 9.248 -6.283 -15.497 1.00 2.02 C ATOM 1038 O GLY A 69 9.037 -6.933 -16.501 1.00 2.45 O ATOM 0 H GLY A 69 8.278 -4.648 -13.735 1.00 1.86 H new ATOM 0 HA2 GLY A 69 9.209 -4.404 -16.566 1.00 2.11 H new ATOM 0 HA3 GLY A 69 10.407 -4.469 -15.288 1.00 2.11 H new ATOM 1042 N ASP A 70 9.360 -6.856 -14.329 1.00 1.99 N ATOM 1043 CA ASP A 70 9.229 -8.335 -14.210 1.00 2.09 C ATOM 1044 C ASP A 70 8.219 -8.675 -13.112 1.00 1.88 C ATOM 1045 O ASP A 70 8.023 -9.825 -12.773 1.00 1.97 O ATOM 1046 CB ASP A 70 10.589 -8.941 -13.854 1.00 2.41 C ATOM 1047 CG ASP A 70 10.611 -10.417 -14.255 1.00 3.11 C ATOM 1048 OD1 ASP A 70 9.815 -11.169 -13.717 1.00 3.93 O ATOM 1049 OD2 ASP A 70 11.424 -10.770 -15.093 1.00 3.33 O ATOM 0 H ASP A 70 9.536 -6.364 -13.453 1.00 1.99 H new ATOM 0 HA ASP A 70 8.884 -8.744 -15.160 1.00 2.09 H new ATOM 0 HB2 ASP A 70 11.385 -8.402 -14.368 1.00 2.41 H new ATOM 0 HB3 ASP A 70 10.775 -8.841 -12.785 1.00 2.41 H new ATOM 1054 N LYS A 71 7.578 -7.686 -12.550 1.00 1.63 N ATOM 1055 CA LYS A 71 6.586 -7.963 -11.473 1.00 1.45 C ATOM 1056 C LYS A 71 5.340 -7.101 -11.689 1.00 1.22 C ATOM 1057 O LYS A 71 5.372 -6.113 -12.394 1.00 1.36 O ATOM 1058 CB LYS A 71 7.207 -7.636 -10.114 1.00 1.53 C ATOM 1059 CG LYS A 71 8.657 -8.124 -10.087 1.00 1.77 C ATOM 1060 CD LYS A 71 9.287 -7.787 -8.734 1.00 2.12 C ATOM 1061 CE LYS A 71 8.586 -8.580 -7.630 1.00 2.46 C ATOM 1062 NZ LYS A 71 9.562 -9.504 -6.986 1.00 3.09 N ATOM 0 H LYS A 71 7.698 -6.702 -12.789 1.00 1.63 H new ATOM 0 HA LYS A 71 6.304 -9.016 -11.500 1.00 1.45 H new ATOM 0 HB2 LYS A 71 7.170 -6.562 -9.934 1.00 1.53 H new ATOM 0 HB3 LYS A 71 6.636 -8.113 -9.317 1.00 1.53 H new ATOM 0 HG2 LYS A 71 8.692 -9.200 -10.258 1.00 1.77 H new ATOM 0 HG3 LYS A 71 9.224 -7.655 -10.891 1.00 1.77 H new ATOM 0 HD2 LYS A 71 10.351 -8.025 -8.747 1.00 2.12 H new ATOM 0 HD3 LYS A 71 9.202 -6.718 -8.538 1.00 2.12 H new ATOM 0 HE2 LYS A 71 8.169 -7.900 -6.888 1.00 2.46 H new ATOM 0 HE3 LYS A 71 7.753 -9.146 -8.047 1.00 2.46 H new ATOM 0 HZ1 LYS A 71 9.086 -10.044 -6.235 1.00 3.09 H new ATOM 0 HZ2 LYS A 71 9.940 -10.161 -7.698 1.00 3.09 H new ATOM 0 HZ3 LYS A 71 10.342 -8.953 -6.575 1.00 3.09 H new ATOM 1076 N LYS A 72 4.241 -7.469 -11.088 1.00 1.02 N ATOM 1077 CA LYS A 72 2.995 -6.671 -11.261 1.00 0.82 C ATOM 1078 C LYS A 72 2.655 -5.963 -9.948 1.00 0.69 C ATOM 1079 O LYS A 72 2.770 -6.528 -8.878 1.00 0.85 O ATOM 1080 CB LYS A 72 1.845 -7.600 -11.656 1.00 0.86 C ATOM 1081 CG LYS A 72 0.545 -6.798 -11.744 1.00 0.82 C ATOM 1082 CD LYS A 72 -0.568 -7.688 -12.302 1.00 1.20 C ATOM 1083 CE LYS A 72 -1.089 -7.095 -13.612 1.00 1.52 C ATOM 1084 NZ LYS A 72 -1.627 -8.188 -14.472 1.00 2.01 N ATOM 0 H LYS A 72 4.153 -8.287 -10.485 1.00 1.02 H new ATOM 0 HA LYS A 72 3.145 -5.928 -12.044 1.00 0.82 H new ATOM 0 HB2 LYS A 72 2.058 -8.072 -12.615 1.00 0.86 H new ATOM 0 HB3 LYS A 72 1.742 -8.400 -10.923 1.00 0.86 H new ATOM 0 HG2 LYS A 72 0.267 -6.426 -10.758 1.00 0.82 H new ATOM 0 HG3 LYS A 72 0.685 -5.928 -12.385 1.00 0.82 H new ATOM 0 HD2 LYS A 72 -0.191 -8.696 -12.472 1.00 1.20 H new ATOM 0 HD3 LYS A 72 -1.380 -7.769 -11.579 1.00 1.20 H new ATOM 0 HE2 LYS A 72 -1.869 -6.362 -13.407 1.00 1.52 H new ATOM 0 HE3 LYS A 72 -0.287 -6.571 -14.131 1.00 1.52 H new ATOM 0 HZ1 LYS A 72 -1.982 -7.786 -15.363 1.00 2.01 H new ATOM 0 HZ2 LYS A 72 -0.871 -8.872 -14.677 1.00 2.01 H new ATOM 0 HZ3 LYS A 72 -2.404 -8.669 -13.976 1.00 2.01 H new ATOM 1098 N LEU A 73 2.240 -4.729 -10.023 1.00 0.55 N ATOM 1099 CA LEU A 73 1.896 -3.978 -8.786 1.00 0.51 C ATOM 1100 C LEU A 73 0.643 -4.584 -8.149 1.00 0.45 C ATOM 1101 O LEU A 73 -0.457 -4.412 -8.635 1.00 0.50 O ATOM 1102 CB LEU A 73 1.629 -2.517 -9.149 1.00 0.59 C ATOM 1103 CG LEU A 73 2.957 -1.781 -9.345 1.00 0.67 C ATOM 1104 CD1 LEU A 73 3.463 -1.270 -7.995 1.00 1.05 C ATOM 1105 CD2 LEU A 73 3.992 -2.735 -9.947 1.00 1.10 C ATOM 0 H LEU A 73 2.124 -4.207 -10.892 1.00 0.55 H new ATOM 0 HA LEU A 73 2.722 -4.037 -8.078 1.00 0.51 H new ATOM 0 HB2 LEU A 73 1.034 -2.462 -10.061 1.00 0.59 H new ATOM 0 HB3 LEU A 73 1.049 -2.037 -8.361 1.00 0.59 H new ATOM 0 HG LEU A 73 2.805 -0.939 -10.020 1.00 0.67 H new ATOM 0 HD11 LEU A 73 4.409 -0.746 -8.135 1.00 1.05 H new ATOM 0 HD12 LEU A 73 2.730 -0.587 -7.567 1.00 1.05 H new ATOM 0 HD13 LEU A 73 3.612 -2.113 -7.320 1.00 1.05 H new ATOM 0 HD21 LEU A 73 4.936 -2.208 -10.085 1.00 1.10 H new ATOM 0 HD22 LEU A 73 4.143 -3.579 -9.274 1.00 1.10 H new ATOM 0 HD23 LEU A 73 3.635 -3.098 -10.911 1.00 1.10 H new ATOM 1117 N LEU A 74 0.800 -5.291 -7.062 1.00 0.42 N ATOM 1118 CA LEU A 74 -0.383 -5.904 -6.395 1.00 0.42 C ATOM 1119 C LEU A 74 -1.019 -4.883 -5.448 1.00 0.38 C ATOM 1120 O LEU A 74 -1.068 -5.079 -4.250 1.00 0.54 O ATOM 1121 CB LEU A 74 0.061 -7.133 -5.597 1.00 0.48 C ATOM 1122 CG LEU A 74 0.783 -8.112 -6.524 1.00 0.63 C ATOM 1123 CD1 LEU A 74 0.528 -9.546 -6.055 1.00 1.56 C ATOM 1124 CD2 LEU A 74 0.257 -7.945 -7.952 1.00 1.00 C ATOM 0 H LEU A 74 1.696 -5.470 -6.608 1.00 0.42 H new ATOM 0 HA LEU A 74 -1.111 -6.204 -7.149 1.00 0.42 H new ATOM 0 HB2 LEU A 74 0.721 -6.832 -4.784 1.00 0.48 H new ATOM 0 HB3 LEU A 74 -0.804 -7.617 -5.143 1.00 0.48 H new ATOM 0 HG LEU A 74 1.853 -7.907 -6.502 1.00 0.63 H new ATOM 0 HD11 LEU A 74 1.043 -10.242 -6.717 1.00 1.56 H new ATOM 0 HD12 LEU A 74 0.901 -9.668 -5.038 1.00 1.56 H new ATOM 0 HD13 LEU A 74 -0.542 -9.751 -6.076 1.00 1.56 H new ATOM 0 HD21 LEU A 74 0.771 -8.643 -8.613 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -0.814 -8.149 -7.972 1.00 1.00 H new ATOM 0 HD23 LEU A 74 0.438 -6.925 -8.290 1.00 1.00 H new ATOM 1136 N VAL A 75 -1.503 -3.791 -5.976 1.00 0.36 N ATOM 1137 CA VAL A 75 -2.132 -2.756 -5.107 1.00 0.34 C ATOM 1138 C VAL A 75 -3.647 -2.967 -5.071 1.00 0.38 C ATOM 1139 O VAL A 75 -4.335 -2.770 -6.053 1.00 0.71 O ATOM 1140 CB VAL A 75 -1.825 -1.365 -5.667 1.00 0.37 C ATOM 1141 CG1 VAL A 75 -2.314 -0.299 -4.685 1.00 0.49 C ATOM 1142 CG2 VAL A 75 -0.315 -1.219 -5.867 1.00 0.38 C ATOM 0 H VAL A 75 -1.490 -3.571 -6.972 1.00 0.36 H new ATOM 0 HA VAL A 75 -1.731 -2.840 -4.097 1.00 0.34 H new ATOM 0 HB VAL A 75 -2.333 -1.238 -6.623 1.00 0.37 H new ATOM 0 HG11 VAL A 75 -2.095 0.691 -5.084 1.00 0.49 H new ATOM 0 HG12 VAL A 75 -3.389 -0.403 -4.541 1.00 0.49 H new ATOM 0 HG13 VAL A 75 -1.806 -0.425 -3.729 1.00 0.49 H new ATOM 0 HG21 VAL A 75 -0.095 -0.229 -6.266 1.00 0.38 H new ATOM 0 HG22 VAL A 75 0.193 -1.346 -4.911 1.00 0.38 H new ATOM 0 HG23 VAL A 75 0.034 -1.978 -6.567 1.00 0.38 H new ATOM 1152 N GLN A 76 -4.173 -3.363 -3.944 1.00 0.32 N ATOM 1153 CA GLN A 76 -5.643 -3.583 -3.843 1.00 0.33 C ATOM 1154 C GLN A 76 -6.088 -3.379 -2.393 1.00 0.30 C ATOM 1155 O GLN A 76 -5.345 -2.877 -1.572 1.00 0.35 O ATOM 1156 CB GLN A 76 -5.979 -5.008 -4.286 1.00 0.40 C ATOM 1157 CG GLN A 76 -5.015 -5.990 -3.618 1.00 0.50 C ATOM 1158 CD GLN A 76 -5.189 -7.377 -4.238 1.00 0.82 C ATOM 1159 OE1 GLN A 76 -6.218 -8.003 -4.078 1.00 1.51 O ATOM 1160 NE2 GLN A 76 -4.218 -7.887 -4.946 1.00 1.22 N ATOM 0 H GLN A 76 -3.648 -3.544 -3.089 1.00 0.32 H new ATOM 0 HA GLN A 76 -6.163 -2.873 -4.487 1.00 0.33 H new ATOM 0 HB2 GLN A 76 -7.007 -5.251 -4.017 1.00 0.40 H new ATOM 0 HB3 GLN A 76 -5.905 -5.090 -5.370 1.00 0.40 H new ATOM 0 HG2 GLN A 76 -3.987 -5.650 -3.744 1.00 0.50 H new ATOM 0 HG3 GLN A 76 -5.207 -6.032 -2.546 1.00 0.50 H new ATOM 0 HE21 GLN A 76 -3.354 -7.361 -5.080 1.00 1.22 H new ATOM 0 HE22 GLN A 76 -4.323 -8.811 -5.365 1.00 1.22 H new ATOM 1169 N ARG A 77 -7.293 -3.761 -2.069 1.00 0.31 N ATOM 1170 CA ARG A 77 -7.781 -3.585 -0.675 1.00 0.29 C ATOM 1171 C ARG A 77 -7.290 -4.746 0.192 1.00 0.30 C ATOM 1172 O ARG A 77 -7.673 -5.883 -0.001 1.00 0.36 O ATOM 1173 CB ARG A 77 -9.309 -3.562 -0.678 1.00 0.35 C ATOM 1174 CG ARG A 77 -9.800 -2.174 -1.094 1.00 0.39 C ATOM 1175 CD ARG A 77 -11.152 -2.301 -1.798 1.00 0.62 C ATOM 1176 NE ARG A 77 -12.215 -2.556 -0.786 1.00 1.31 N ATOM 1177 CZ ARG A 77 -13.457 -2.687 -1.163 1.00 1.76 C ATOM 1178 NH1 ARG A 77 -13.896 -3.846 -1.571 1.00 2.49 N ATOM 1179 NH2 ARG A 77 -14.260 -1.658 -1.134 1.00 2.21 N ATOM 0 H ARG A 77 -7.960 -4.188 -2.712 1.00 0.31 H new ATOM 0 HA ARG A 77 -7.400 -2.648 -0.270 1.00 0.29 H new ATOM 0 HB2 ARG A 77 -9.693 -4.316 -1.365 1.00 0.35 H new ATOM 0 HB3 ARG A 77 -9.689 -3.811 0.313 1.00 0.35 H new ATOM 0 HG2 ARG A 77 -9.893 -1.532 -0.218 1.00 0.39 H new ATOM 0 HG3 ARG A 77 -9.075 -1.704 -1.758 1.00 0.39 H new ATOM 0 HD2 ARG A 77 -11.373 -1.389 -2.352 1.00 0.62 H new ATOM 0 HD3 ARG A 77 -11.122 -3.114 -2.523 1.00 0.62 H new ATOM 0 HE ARG A 77 -11.972 -2.628 0.202 1.00 1.31 H new ATOM 0 HH11 ARG A 77 -13.268 -4.649 -1.595 1.00 2.49 H new ATOM 0 HH12 ARG A 77 -14.867 -3.949 -1.866 1.00 2.49 H new ATOM 0 HH21 ARG A 77 -13.916 -0.752 -0.817 1.00 2.21 H new ATOM 0 HH22 ARG A 77 -15.231 -1.760 -1.429 1.00 2.21 H new ATOM 1193 N ALA A 78 -6.445 -4.468 1.146 1.00 0.31 N ATOM 1194 CA ALA A 78 -5.930 -5.555 2.025 1.00 0.36 C ATOM 1195 C ALA A 78 -6.847 -5.711 3.239 1.00 0.43 C ATOM 1196 O ALA A 78 -6.524 -5.288 4.332 1.00 0.58 O ATOM 1197 CB ALA A 78 -4.519 -5.202 2.497 1.00 0.45 C ATOM 0 H ALA A 78 -6.089 -3.535 1.355 1.00 0.31 H new ATOM 0 HA ALA A 78 -5.905 -6.491 1.466 1.00 0.36 H new ATOM 0 HB1 ALA A 78 -4.141 -5.997 3.140 1.00 0.45 H new ATOM 0 HB2 ALA A 78 -3.863 -5.092 1.633 1.00 0.45 H new ATOM 0 HB3 ALA A 78 -4.545 -4.266 3.054 1.00 0.45 H new ATOM 1203 N SER A 79 -7.988 -6.317 3.060 1.00 0.57 N ATOM 1204 CA SER A 79 -8.920 -6.502 4.207 1.00 0.68 C ATOM 1205 C SER A 79 -9.906 -7.625 3.888 1.00 1.20 C ATOM 1206 O SER A 79 -11.085 -7.394 3.705 1.00 1.55 O ATOM 1207 CB SER A 79 -9.691 -5.205 4.458 1.00 0.72 C ATOM 1208 OG SER A 79 -10.907 -5.505 5.132 1.00 1.69 O ATOM 0 H SER A 79 -8.315 -6.692 2.170 1.00 0.57 H new ATOM 0 HA SER A 79 -8.348 -6.761 5.098 1.00 0.68 H new ATOM 0 HB2 SER A 79 -9.089 -4.521 5.056 1.00 0.72 H new ATOM 0 HB3 SER A 79 -9.900 -4.703 3.513 1.00 0.72 H new ATOM 0 HG SER A 79 -11.504 -5.994 4.528 1.00 1.69 H new ATOM 1214 N VAL A 80 -9.436 -8.840 3.822 1.00 1.80 N ATOM 1215 CA VAL A 80 -10.353 -9.973 3.519 1.00 2.42 C ATOM 1216 C VAL A 80 -10.552 -10.817 4.786 1.00 2.90 C ATOM 1217 O VAL A 80 -11.410 -10.520 5.593 1.00 3.44 O ATOM 1218 CB VAL A 80 -9.765 -10.818 2.380 1.00 3.35 C ATOM 1219 CG1 VAL A 80 -8.244 -10.908 2.529 1.00 3.87 C ATOM 1220 CG2 VAL A 80 -10.375 -12.223 2.407 1.00 4.12 C ATOM 0 H VAL A 80 -8.459 -9.096 3.964 1.00 1.80 H new ATOM 0 HA VAL A 80 -11.324 -9.594 3.199 1.00 2.42 H new ATOM 0 HB VAL A 80 -10.001 -10.345 1.427 1.00 3.35 H new ATOM 0 HG11 VAL A 80 -7.834 -11.509 1.717 1.00 3.87 H new ATOM 0 HG12 VAL A 80 -7.815 -9.907 2.492 1.00 3.87 H new ATOM 0 HG13 VAL A 80 -7.999 -11.372 3.484 1.00 3.87 H new ATOM 0 HG21 VAL A 80 -9.954 -12.818 1.597 1.00 4.12 H new ATOM 0 HG22 VAL A 80 -10.150 -12.699 3.361 1.00 4.12 H new ATOM 0 HG23 VAL A 80 -11.456 -12.153 2.282 1.00 4.12 H new ATOM 1230 N GLY A 81 -9.766 -11.851 4.974 1.00 3.34 N ATOM 1231 CA GLY A 81 -9.906 -12.707 6.193 1.00 4.24 C ATOM 1232 C GLY A 81 -11.375 -12.803 6.606 1.00 4.60 C ATOM 1233 O GLY A 81 -11.697 -12.870 7.776 1.00 5.14 O ATOM 0 H GLY A 81 -9.029 -12.139 4.330 1.00 3.34 H new ATOM 0 HA2 GLY A 81 -9.511 -13.703 5.994 1.00 4.24 H new ATOM 0 HA3 GLY A 81 -9.318 -12.288 7.010 1.00 4.24 H new ATOM 1237 N ALA A 82 -12.270 -12.797 5.658 1.00 4.76 N ATOM 1238 CA ALA A 82 -13.715 -12.874 6.006 1.00 5.50 C ATOM 1239 C ALA A 82 -14.346 -14.106 5.357 1.00 5.25 C ATOM 1240 O ALA A 82 -13.996 -14.495 4.260 1.00 5.29 O ATOM 1241 CB ALA A 82 -14.421 -11.616 5.500 1.00 6.29 C ATOM 0 H ALA A 82 -12.064 -12.742 4.661 1.00 4.76 H new ATOM 0 HA ALA A 82 -13.820 -12.949 7.088 1.00 5.50 H new ATOM 0 HB1 ALA A 82 -15.480 -11.667 5.752 1.00 6.29 H new ATOM 0 HB2 ALA A 82 -13.978 -10.737 5.968 1.00 6.29 H new ATOM 0 HB3 ALA A 82 -14.309 -11.546 4.418 1.00 6.29 H new ATOM 1247 N LYS A 83 -15.284 -14.715 6.028 1.00 5.44 N ATOM 1248 CA LYS A 83 -15.955 -15.916 5.458 1.00 5.68 C ATOM 1249 C LYS A 83 -17.370 -15.536 5.015 1.00 5.76 C ATOM 1250 O LYS A 83 -18.169 -16.379 4.660 1.00 6.21 O ATOM 1251 CB LYS A 83 -16.029 -17.013 6.523 1.00 6.17 C ATOM 1252 CG LYS A 83 -14.675 -17.137 7.224 1.00 6.64 C ATOM 1253 CD LYS A 83 -14.884 -17.185 8.739 1.00 7.05 C ATOM 1254 CE LYS A 83 -15.348 -15.814 9.235 1.00 7.68 C ATOM 1255 NZ LYS A 83 -14.160 -14.973 9.556 1.00 8.12 N ATOM 0 H LYS A 83 -15.616 -14.431 6.950 1.00 5.44 H new ATOM 0 HA LYS A 83 -15.389 -16.283 4.602 1.00 5.68 H new ATOM 0 HB2 LYS A 83 -16.806 -16.777 7.250 1.00 6.17 H new ATOM 0 HB3 LYS A 83 -16.301 -17.963 6.063 1.00 6.17 H new ATOM 0 HG2 LYS A 83 -14.162 -18.038 6.889 1.00 6.64 H new ATOM 0 HG3 LYS A 83 -14.039 -16.292 6.961 1.00 6.64 H new ATOM 0 HD2 LYS A 83 -15.625 -17.944 8.991 1.00 7.05 H new ATOM 0 HD3 LYS A 83 -13.956 -17.468 9.236 1.00 7.05 H new ATOM 0 HE2 LYS A 83 -15.957 -15.327 8.473 1.00 7.68 H new ATOM 0 HE3 LYS A 83 -15.975 -15.928 10.119 1.00 7.68 H new ATOM 0 HZ1 LYS A 83 -14.475 -14.041 9.893 1.00 8.12 H new ATOM 0 HZ2 LYS A 83 -13.596 -15.437 10.297 1.00 8.12 H new ATOM 0 HZ3 LYS A 83 -13.578 -14.854 8.702 1.00 8.12 H new ATOM 1269 N ASN A 84 -17.686 -14.268 5.037 1.00 5.71 N ATOM 1270 CA ASN A 84 -19.046 -13.827 4.621 1.00 6.21 C ATOM 1271 C ASN A 84 -19.067 -13.598 3.109 1.00 6.74 C ATOM 1272 O ASN A 84 -18.742 -12.530 2.629 1.00 7.25 O ATOM 1273 CB ASN A 84 -19.399 -12.522 5.338 1.00 6.57 C ATOM 1274 CG ASN A 84 -20.149 -12.835 6.634 1.00 6.76 C ATOM 1275 OD1 ASN A 84 -21.201 -12.284 6.889 1.00 6.98 O ATOM 1276 ND2 ASN A 84 -19.647 -13.702 7.470 1.00 7.05 N ATOM 0 H ASN A 84 -17.058 -13.518 5.326 1.00 5.71 H new ATOM 0 HA ASN A 84 -19.774 -14.595 4.883 1.00 6.21 H new ATOM 0 HB2 ASN A 84 -18.492 -11.959 5.558 1.00 6.57 H new ATOM 0 HB3 ASN A 84 -20.014 -11.895 4.692 1.00 6.57 H new ATOM 0 HD21 ASN A 84 -20.138 -13.917 8.338 1.00 7.05 H new ATOM 0 HD22 ASN A 84 -18.764 -14.165 7.256 1.00 7.05 H new ATOM 1283 N ALA A 85 -19.445 -14.592 2.353 1.00 6.97 N ATOM 1284 CA ALA A 85 -19.484 -14.427 0.873 1.00 7.82 C ATOM 1285 C ALA A 85 -18.087 -14.066 0.363 1.00 8.26 C ATOM 1286 O ALA A 85 -17.916 -12.950 -0.099 1.00 8.52 O ATOM 1287 CB ALA A 85 -20.464 -13.309 0.510 1.00 8.21 C ATOM 1288 OXT ALA A 85 -17.212 -14.913 0.443 1.00 8.58 O ATOM 0 H ALA A 85 -19.728 -15.510 2.696 1.00 6.97 H new ATOM 0 HA ALA A 85 -19.809 -15.360 0.412 1.00 7.82 H new ATOM 0 HB1 ALA A 85 -20.493 -13.188 -0.573 1.00 8.21 H new ATOM 0 HB2 ALA A 85 -21.459 -13.565 0.873 1.00 8.21 H new ATOM 0 HB3 ALA A 85 -20.139 -12.376 0.971 1.00 8.21 H new TER 1294 ALA A 85 END