USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) HEADER THIOL PROTEASE INHIBITOR 26-FEB-96 1DVC TITLE SOLUTION NMR STRUCTURE OF HUMAN STEFIN A AT PH 5.5 AND 308K, TITLE 2 NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: STEFIN A; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CYSTATIN A; 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 GENE: POTENTIAL; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PKP1500 KEYWDS THIOL PROTEASE INHIBITOR EXPDTA SOLUTION NMR AUTHOR J.R.MARTIN,C.J.CRAVEN,R.JERALA,L.KROON-ZITKO,E.ZEROVNIK, AUTHOR 2 V.TURK,J.P.WALTHO REVDAT 2 24-FEB-09 1DVC 1 VERSN REVDAT 1 01-AUG-96 1DVC 0 JRNL AUTH J.R.MARTIN,C.J.CRAVEN,R.JERALA,L.KROON-ZITKO, JRNL AUTH 2 E.ZEROVNIK,V.TURK,J.P.WALTHO JRNL TITL THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF HUMAN JRNL TITL 2 STEFIN A. JRNL REF J.MOL.BIOL. V. 246 331 1995 JRNL REFN ISSN 0022-2836 JRNL PMID 7869384 JRNL DOI 10.1006/JMBI.1994.0088 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.R.MARTIN,R.JERALA,L.KROON-ZITKO,E.ZEROVNIK, REMARK 1 AUTH 2 V.TURK,J.P.WALTHO REMARK 1 TITL STRUCTURAL CHARACTERISATION OF HUMAN STEFIN A IN REMARK 1 TITL 2 SOLUTION AND IMPLICATIONS FOR BINDING TO CYSTEINE REMARK 1 TITL 3 PROTEINASES REMARK 1 REF EUR.J.BIOCHEM. V. 225 1181 1994 REMARK 1 REFN ISSN 0014-2956 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 1DVC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 5.5 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 : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 ILE A 7 75.12 56.67 REMARK 500 SER A 12 -176.75 -60.00 REMARK 500 GLU A 13 161.36 -44.71 REMARK 500 ALA A 17 159.24 -42.01 REMARK 500 ASN A 37 28.56 87.69 REMARK 500 THR A 39 60.65 -115.05 REMARK 500 TYR A 40 -176.12 -52.98 REMARK 500 LEU A 45 62.95 -107.99 REMARK 500 GLU A 46 107.50 -48.35 REMARK 500 TYR A 50 134.78 -174.10 REMARK 500 VAL A 55 -96.99 172.42 REMARK 500 THR A 58 97.98 -167.51 REMARK 500 ASN A 59 -167.80 -66.91 REMARK 500 LYS A 63 73.81 -103.21 REMARK 500 ASP A 68 -164.98 -68.48 REMARK 500 MET A 95 101.82 179.36 REMARK 500 HIS A 96 -177.00 -55.84 REMARK 500 GLN A 105 -135.46 -88.82 REMARK 500 ASN A 105A 89.82 -52.67 REMARK 500 LEU A 108 121.46 -34.35 REMARK 500 TYR A 113 136.59 173.51 REMARK 500 ASN A 117 -167.43 -119.81 REMARK 500 THR A 123 -168.55 47.74 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 65 0.27 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DVD RELATED DB: PDB DBREF 1DVC A 6 125 UNP P01040 CYTA_HUMAN 1 98 SEQRES 1 A 98 MET ILE PRO GLY GLY LEU SER GLU ALA LYS PRO ALA THR SEQRES 2 A 98 PRO GLU ILE GLN GLU ILE VAL ASP LYS VAL LYS PRO GLN SEQRES 3 A 98 LEU GLU GLU LYS THR ASN GLU THR TYR GLY LYS LEU GLU SEQRES 4 A 98 ALA VAL GLN TYR LYS THR GLN VAL VAL ALA GLY THR ASN SEQRES 5 A 98 TYR TYR ILE LYS VAL ARG ALA GLY ASP ASN LYS TYR MET SEQRES 6 A 98 HIS LEU LYS VAL PHE LYS SER LEU PRO GLY GLN ASN GLU SEQRES 7 A 98 ASP LEU VAL LEU THR GLY TYR GLN VAL ASP LYS ASN LYS SEQRES 8 A 98 ASP ASP GLU LEU THR GLY PHE HELIX 1 1 GLU A 20 THR A 36 1 17 SHEET 1 A 5 LEU A 11 ALA A 17 0 SHEET 2 A 5 LYS A 44 VAL A 54 -1 O TYR A 50 N LYS A 15 SHEET 3 A 5 THR A 58 ALA A 66 -1 N ARG A 65 O GLU A 46 SHEET 4 A 5 LYS A 93 LYS A 101 -1 N LYS A 101 O THR A 58 SHEET 5 A 5 LEU A 108 LYS A 116 -1 N GLY A 112 O LYS A 98 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 49 GLN : amide:sc= 0.368 K(o=-0.81,f=-4.8) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -153:sc= -1.18 (180deg=-2.95!) USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 40 TYR OH : rot -126:sc= -7.62! USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.923! USER MOD Single : A 22 GLN : amide:sc= -2.61 K(o=-2.6,f=-0.069) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.6 K(o=-2.6,f=-0.38) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -6.11! C(o=-6.1!,f=-9.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= -0.0728 (180deg=-0.958) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -133:sc= -0.208 (180deg=-1.11) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 53 GLN : amide:sc= -1.9! C(o=-1.9!,f=-4.7!) USER MOD Single : A 58 THR OG1 : rot -34:sc= 0.0935 USER MOD Single : A 59 ASN : amide:sc= -4.63! C(o=-4.6!,f=-5.4!) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.523 USER MOD Single : A 61 TYR OH : rot -52:sc= 1.26 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 150:sc= -3.25! USER MOD Single : A 95 MET CE :methyl 164:sc= -3.42! (180deg=-3.69!) USER MOD Single : A 96 HIS : no HD1:sc= -9.86! C(o=-9.9!,f=-8.5!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.55) USER MOD Single : A 105AASN : amide:sc= -0.426 K(o=-0.43,f=-3.5!) USER MOD Single : A 111 THR OG1 : rot -150:sc= -3.13! USER MOD Single : A 113 TYR OH : rot 0:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -3.8! C(o=-3.8!,f=-7.4!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.774! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 -19.626 4.072 13.440 1.00 10.24 N ATOM 2 CA MET A 6 -19.547 2.628 13.088 1.00 9.75 C ATOM 3 C MET A 6 -18.258 2.377 12.299 1.00 8.77 C ATOM 4 O MET A 6 -17.875 3.160 11.450 1.00 8.80 O ATOM 5 CB MET A 6 -20.761 2.244 12.240 1.00 10.20 C ATOM 6 CG MET A 6 -20.924 0.722 12.228 1.00 10.58 C ATOM 7 SD MET A 6 -22.144 0.266 10.970 1.00 11.14 S ATOM 8 CE MET A 6 -21.628 -1.456 10.755 1.00 11.45 C ATOM 0 HA MET A 6 -19.541 2.023 13.995 1.00 9.75 H new ATOM 0 HB2 MET A 6 -21.660 2.712 12.642 1.00 10.20 H new ATOM 0 HB3 MET A 6 -20.637 2.614 11.222 1.00 10.20 H new ATOM 0 HG2 MET A 6 -19.968 0.243 12.016 1.00 10.58 H new ATOM 0 HG3 MET A 6 -21.246 0.371 13.208 1.00 10.58 H new ATOM 0 HE1 MET A 6 -22.261 -1.935 10.008 1.00 11.45 H new ATOM 0 HE2 MET A 6 -20.590 -1.486 10.424 1.00 11.45 H new ATOM 0 HE3 MET A 6 -21.722 -1.985 11.703 1.00 11.45 H new ATOM 20 N ILE A 7 -17.574 1.303 12.583 1.00 8.09 N ATOM 21 CA ILE A 7 -16.301 1.019 11.863 1.00 7.27 C ATOM 22 C ILE A 7 -15.352 2.203 12.042 1.00 6.24 C ATOM 23 O ILE A 7 -15.164 2.985 11.132 1.00 6.02 O ATOM 24 CB ILE A 7 -16.563 0.831 10.370 1.00 7.45 C ATOM 25 CG1 ILE A 7 -17.531 -0.332 10.140 1.00 8.05 C ATOM 26 CG2 ILE A 7 -15.236 0.528 9.677 1.00 7.90 C ATOM 27 CD1 ILE A 7 -16.950 -1.603 10.761 1.00 8.42 C ATOM 0 H ILE A 7 -17.842 0.610 13.282 1.00 8.09 H new ATOM 0 HA ILE A 7 -15.863 0.108 12.271 1.00 7.27 H new ATOM 0 HB ILE A 7 -17.007 1.740 9.964 1.00 7.45 H new ATOM 0 HG12 ILE A 7 -18.500 -0.107 10.584 1.00 8.05 H new ATOM 0 HG13 ILE A 7 -17.696 -0.478 9.072 1.00 8.05 H new ATOM 0 HG21 ILE A 7 -15.406 0.391 8.609 1.00 7.90 H new ATOM 0 HG22 ILE A 7 -14.547 1.359 9.831 1.00 7.90 H new ATOM 0 HG23 ILE A 7 -14.806 -0.382 10.096 1.00 7.90 H new ATOM 0 HD11 ILE A 7 -17.637 -2.434 10.599 1.00 8.42 H new ATOM 0 HD12 ILE A 7 -15.991 -1.829 10.296 1.00 8.42 H new ATOM 0 HD13 ILE A 7 -16.808 -1.453 11.831 1.00 8.42 H new ATOM 39 N PRO A 8 -14.785 2.303 13.212 1.00 5.97 N ATOM 40 CA PRO A 8 -13.852 3.390 13.544 1.00 5.34 C ATOM 41 C PRO A 8 -12.477 3.120 12.928 1.00 4.42 C ATOM 42 O PRO A 8 -11.530 2.795 13.615 1.00 4.75 O ATOM 43 CB PRO A 8 -13.802 3.361 15.075 1.00 5.98 C ATOM 44 CG PRO A 8 -14.249 1.941 15.504 1.00 6.64 C ATOM 45 CD PRO A 8 -15.016 1.341 14.310 1.00 6.71 C ATOM 0 HA PRO A 8 -14.160 4.362 13.158 1.00 5.34 H new ATOM 0 HB2 PRO A 8 -12.796 3.576 15.434 1.00 5.98 H new ATOM 0 HB3 PRO A 8 -14.460 4.119 15.499 1.00 5.98 H new ATOM 0 HG2 PRO A 8 -13.387 1.325 15.760 1.00 6.64 H new ATOM 0 HG3 PRO A 8 -14.884 1.985 16.389 1.00 6.64 H new ATOM 0 HD2 PRO A 8 -14.644 0.349 14.055 1.00 6.71 H new ATOM 0 HD3 PRO A 8 -16.078 1.236 14.531 1.00 6.71 H new ATOM 53 N GLY A 9 -12.364 3.254 11.633 1.00 3.61 N ATOM 54 CA GLY A 9 -11.055 3.006 10.970 1.00 2.94 C ATOM 55 C GLY A 9 -10.705 1.523 11.091 1.00 2.19 C ATOM 56 O GLY A 9 -10.227 1.074 12.114 1.00 2.66 O ATOM 0 H GLY A 9 -13.123 3.525 11.008 1.00 3.61 H new ATOM 0 HA2 GLY A 9 -11.104 3.296 9.920 1.00 2.94 H new ATOM 0 HA3 GLY A 9 -10.278 3.615 11.433 1.00 2.94 H new ATOM 60 N GLY A 10 -10.941 0.757 10.058 1.00 1.31 N ATOM 61 CA GLY A 10 -10.617 -0.696 10.121 1.00 1.29 C ATOM 62 C GLY A 10 -9.246 -0.870 10.767 1.00 0.92 C ATOM 63 O GLY A 10 -9.126 -1.034 11.965 1.00 1.13 O ATOM 0 H GLY A 10 -11.343 1.075 9.176 1.00 1.31 H new ATOM 0 HA2 GLY A 10 -11.375 -1.226 10.697 1.00 1.29 H new ATOM 0 HA3 GLY A 10 -10.619 -1.126 9.120 1.00 1.29 H new ATOM 67 N LEU A 11 -8.209 -0.820 9.981 1.00 0.87 N ATOM 68 CA LEU A 11 -6.841 -0.963 10.543 1.00 0.63 C ATOM 69 C LEU A 11 -6.752 -2.236 11.392 1.00 0.57 C ATOM 70 O LEU A 11 -6.073 -2.276 12.398 1.00 0.66 O ATOM 71 CB LEU A 11 -6.525 0.264 11.404 1.00 0.88 C ATOM 72 CG LEU A 11 -6.117 1.427 10.498 1.00 0.65 C ATOM 73 CD1 LEU A 11 -6.547 2.750 11.135 1.00 1.29 C ATOM 74 CD2 LEU A 11 -4.598 1.416 10.317 1.00 0.85 C ATOM 0 H LEU A 11 -8.251 -0.686 8.971 1.00 0.87 H new ATOM 0 HA LEU A 11 -6.118 -1.036 9.730 1.00 0.63 H new ATOM 0 HB2 LEU A 11 -7.396 0.539 11.998 1.00 0.88 H new ATOM 0 HB3 LEU A 11 -5.722 0.034 12.104 1.00 0.88 H new ATOM 0 HG LEU A 11 -6.602 1.321 9.528 1.00 0.65 H new ATOM 0 HD11 LEU A 11 -6.255 3.577 10.488 1.00 1.29 H new ATOM 0 HD12 LEU A 11 -7.629 2.756 11.266 1.00 1.29 H new ATOM 0 HD13 LEU A 11 -6.063 2.861 12.106 1.00 1.29 H new ATOM 0 HD21 LEU A 11 -4.302 2.243 9.672 1.00 0.85 H new ATOM 0 HD22 LEU A 11 -4.115 1.523 11.288 1.00 0.85 H new ATOM 0 HD23 LEU A 11 -4.293 0.474 9.862 1.00 0.85 H new ATOM 86 N SER A 12 -7.427 -3.281 10.989 1.00 0.49 N ATOM 87 CA SER A 12 -7.370 -4.551 11.768 1.00 0.52 C ATOM 88 C SER A 12 -5.921 -5.045 11.829 1.00 0.50 C ATOM 89 O SER A 12 -5.013 -4.400 11.343 1.00 0.51 O ATOM 90 CB SER A 12 -8.239 -5.607 11.082 1.00 0.57 C ATOM 91 OG SER A 12 -9.413 -5.824 11.854 1.00 1.44 O ATOM 0 H SER A 12 -8.014 -3.309 10.155 1.00 0.49 H new ATOM 0 HA SER A 12 -7.739 -4.376 12.779 1.00 0.52 H new ATOM 0 HB2 SER A 12 -8.506 -5.278 10.078 1.00 0.57 H new ATOM 0 HB3 SER A 12 -7.683 -6.538 10.975 1.00 0.57 H new ATOM 0 HG SER A 12 -9.972 -6.499 11.416 1.00 1.44 H new ATOM 97 N GLU A 13 -5.696 -6.187 12.422 1.00 0.52 N ATOM 98 CA GLU A 13 -4.306 -6.722 12.512 1.00 0.54 C ATOM 99 C GLU A 13 -3.610 -6.566 11.158 1.00 0.49 C ATOM 100 O GLU A 13 -4.248 -6.398 10.138 1.00 0.56 O ATOM 101 CB GLU A 13 -4.353 -8.206 12.887 1.00 0.60 C ATOM 102 CG GLU A 13 -3.395 -8.474 14.049 1.00 1.15 C ATOM 103 CD GLU A 13 -3.575 -9.913 14.537 1.00 1.68 C ATOM 104 OE1 GLU A 13 -3.275 -10.817 13.774 1.00 2.11 O ATOM 105 OE2 GLU A 13 -4.011 -10.086 15.662 1.00 2.47 O ATOM 0 H GLU A 13 -6.414 -6.773 12.848 1.00 0.52 H new ATOM 0 HA GLU A 13 -3.755 -6.169 13.273 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -5.368 -8.488 13.167 1.00 0.60 H new ATOM 0 HB3 GLU A 13 -4.078 -8.817 12.028 1.00 0.60 H new ATOM 0 HG2 GLU A 13 -2.365 -8.313 13.730 1.00 1.15 H new ATOM 0 HG3 GLU A 13 -3.589 -7.776 14.863 1.00 1.15 H new ATOM 112 N ALA A 14 -2.305 -6.627 11.139 1.00 0.48 N ATOM 113 CA ALA A 14 -1.573 -6.491 9.847 1.00 0.46 C ATOM 114 C ALA A 14 -1.805 -7.750 9.007 1.00 0.36 C ATOM 115 O ALA A 14 -1.031 -8.685 9.044 1.00 0.39 O ATOM 116 CB ALA A 14 -0.076 -6.322 10.119 1.00 0.56 C ATOM 0 H ALA A 14 -1.716 -6.765 11.960 1.00 0.48 H new ATOM 0 HA ALA A 14 -1.938 -5.617 9.308 1.00 0.46 H new ATOM 0 HB1 ALA A 14 0.457 -6.223 9.173 1.00 0.56 H new ATOM 0 HB2 ALA A 14 0.086 -5.428 10.722 1.00 0.56 H new ATOM 0 HB3 ALA A 14 0.297 -7.194 10.656 1.00 0.56 H new ATOM 122 N LYS A 15 -2.875 -7.784 8.261 1.00 0.33 N ATOM 123 CA LYS A 15 -3.174 -8.984 7.427 1.00 0.32 C ATOM 124 C LYS A 15 -1.958 -9.355 6.574 1.00 0.29 C ATOM 125 O LYS A 15 -1.097 -8.533 6.329 1.00 0.27 O ATOM 126 CB LYS A 15 -4.359 -8.681 6.507 1.00 0.42 C ATOM 127 CG LYS A 15 -5.626 -8.518 7.347 1.00 0.73 C ATOM 128 CD LYS A 15 -5.921 -9.826 8.083 1.00 0.77 C ATOM 129 CE LYS A 15 -5.710 -9.627 9.584 1.00 0.93 C ATOM 130 NZ LYS A 15 -7.011 -9.786 10.292 1.00 1.34 N ATOM 0 H LYS A 15 -3.558 -7.030 8.193 1.00 0.33 H new ATOM 0 HA LYS A 15 -3.416 -9.819 8.085 1.00 0.32 H new ATOM 0 HB2 LYS A 15 -4.168 -7.772 5.937 1.00 0.42 H new ATOM 0 HB3 LYS A 15 -4.489 -9.488 5.786 1.00 0.42 H new ATOM 0 HG2 LYS A 15 -5.499 -7.706 8.063 1.00 0.73 H new ATOM 0 HG3 LYS A 15 -6.467 -8.250 6.708 1.00 0.73 H new ATOM 0 HD2 LYS A 15 -6.946 -10.142 7.888 1.00 0.77 H new ATOM 0 HD3 LYS A 15 -5.268 -10.618 7.715 1.00 0.77 H new ATOM 0 HE2 LYS A 15 -4.988 -10.352 9.960 1.00 0.93 H new ATOM 0 HE3 LYS A 15 -5.297 -8.637 9.776 1.00 0.93 H new ATOM 0 HZ1 LYS A 15 -6.869 -9.651 11.313 1.00 1.34 H new ATOM 0 HZ2 LYS A 15 -7.687 -9.078 9.940 1.00 1.34 H new ATOM 0 HZ3 LYS A 15 -7.387 -10.740 10.118 1.00 1.34 H new ATOM 144 N PRO A 16 -1.933 -10.592 6.140 1.00 0.29 N ATOM 145 CA PRO A 16 -0.846 -11.119 5.299 1.00 0.27 C ATOM 146 C PRO A 16 -1.052 -10.681 3.846 1.00 0.26 C ATOM 147 O PRO A 16 -2.041 -11.012 3.224 1.00 0.27 O ATOM 148 CB PRO A 16 -0.989 -12.637 5.437 1.00 0.31 C ATOM 149 CG PRO A 16 -2.453 -12.901 5.866 1.00 0.33 C ATOM 150 CD PRO A 16 -2.986 -11.580 6.454 1.00 0.33 C ATOM 0 HA PRO A 16 0.142 -10.764 5.593 1.00 0.27 H new ATOM 0 HB2 PRO A 16 -0.765 -13.136 4.494 1.00 0.31 H new ATOM 0 HB3 PRO A 16 -0.291 -13.027 6.178 1.00 0.31 H new ATOM 0 HG2 PRO A 16 -3.055 -13.216 5.014 1.00 0.33 H new ATOM 0 HG3 PRO A 16 -2.502 -13.701 6.605 1.00 0.33 H new ATOM 0 HD2 PRO A 16 -3.940 -11.301 6.006 1.00 0.33 H new ATOM 0 HD3 PRO A 16 -3.149 -11.660 7.529 1.00 0.33 H new ATOM 158 N ALA A 17 -0.129 -9.932 3.304 1.00 0.23 N ATOM 159 CA ALA A 17 -0.275 -9.466 1.896 1.00 0.22 C ATOM 160 C ALA A 17 -0.802 -10.607 1.021 1.00 0.27 C ATOM 161 O ALA A 17 -0.699 -11.768 1.362 1.00 0.54 O ATOM 162 CB ALA A 17 1.084 -9.005 1.366 1.00 0.26 C ATOM 0 H ALA A 17 0.720 -9.623 3.777 1.00 0.23 H new ATOM 0 HA ALA A 17 -0.980 -8.635 1.866 1.00 0.22 H new ATOM 0 HB1 ALA A 17 0.976 -8.664 0.336 1.00 0.26 H new ATOM 0 HB2 ALA A 17 1.456 -8.186 1.982 1.00 0.26 H new ATOM 0 HB3 ALA A 17 1.789 -9.835 1.402 1.00 0.26 H new ATOM 168 N THR A 18 -1.370 -10.276 -0.105 1.00 0.30 N ATOM 169 CA THR A 18 -1.915 -11.321 -1.017 1.00 0.32 C ATOM 170 C THR A 18 -1.649 -10.871 -2.466 1.00 0.30 C ATOM 171 O THR A 18 -0.883 -9.951 -2.671 1.00 0.28 O ATOM 172 CB THR A 18 -3.418 -11.472 -0.745 1.00 0.35 C ATOM 173 OG1 THR A 18 -4.143 -10.559 -1.555 1.00 0.35 O ATOM 174 CG2 THR A 18 -3.711 -11.187 0.730 1.00 0.39 C ATOM 0 H THR A 18 -1.481 -9.317 -0.436 1.00 0.30 H new ATOM 0 HA THR A 18 -1.439 -12.288 -0.853 1.00 0.32 H new ATOM 0 HB THR A 18 -3.722 -12.491 -0.982 1.00 0.35 H new ATOM 0 HG1 THR A 18 -5.102 -10.658 -1.381 1.00 0.35 H new ATOM 0 HG21 THR A 18 -4.779 -11.296 0.916 1.00 0.39 H new ATOM 0 HG22 THR A 18 -3.160 -11.892 1.353 1.00 0.39 H new ATOM 0 HG23 THR A 18 -3.402 -10.170 0.972 1.00 0.39 H new ATOM 182 N PRO A 19 -2.262 -11.512 -3.441 1.00 0.33 N ATOM 183 CA PRO A 19 -2.050 -11.142 -4.851 1.00 0.35 C ATOM 184 C PRO A 19 -2.817 -9.859 -5.172 1.00 0.30 C ATOM 185 O PRO A 19 -2.544 -9.184 -6.145 1.00 0.31 O ATOM 186 CB PRO A 19 -2.588 -12.343 -5.632 1.00 0.43 C ATOM 187 CG PRO A 19 -3.562 -13.080 -4.685 1.00 0.45 C ATOM 188 CD PRO A 19 -3.211 -12.633 -3.252 1.00 0.41 C ATOM 0 HA PRO A 19 -1.009 -10.936 -5.098 1.00 0.35 H new ATOM 0 HB2 PRO A 19 -3.099 -12.019 -6.539 1.00 0.43 H new ATOM 0 HB3 PRO A 19 -1.775 -13.000 -5.941 1.00 0.43 H new ATOM 0 HG2 PRO A 19 -4.596 -12.833 -4.925 1.00 0.45 H new ATOM 0 HG3 PRO A 19 -3.460 -14.160 -4.789 1.00 0.45 H new ATOM 0 HD2 PRO A 19 -4.099 -12.315 -2.706 1.00 0.41 H new ATOM 0 HD3 PRO A 19 -2.760 -13.445 -2.681 1.00 0.41 H new ATOM 196 N GLU A 20 -3.757 -9.504 -4.341 1.00 0.28 N ATOM 197 CA GLU A 20 -4.525 -8.251 -4.569 1.00 0.27 C ATOM 198 C GLU A 20 -3.774 -7.104 -3.896 1.00 0.21 C ATOM 199 O GLU A 20 -3.734 -5.994 -4.389 1.00 0.22 O ATOM 200 CB GLU A 20 -5.920 -8.383 -3.957 1.00 0.34 C ATOM 201 CG GLU A 20 -6.886 -8.937 -5.005 1.00 1.22 C ATOM 202 CD GLU A 20 -8.325 -8.642 -4.579 1.00 1.54 C ATOM 203 OE1 GLU A 20 -8.655 -7.475 -4.445 1.00 2.12 O ATOM 204 OE2 GLU A 20 -9.073 -9.589 -4.395 1.00 2.06 O ATOM 0 H GLU A 20 -4.027 -10.031 -3.510 1.00 0.28 H new ATOM 0 HA GLU A 20 -4.628 -8.060 -5.637 1.00 0.27 H new ATOM 0 HB2 GLU A 20 -5.888 -9.044 -3.091 1.00 0.34 H new ATOM 0 HB3 GLU A 20 -6.267 -7.412 -3.604 1.00 0.34 H new ATOM 0 HG2 GLU A 20 -6.683 -8.486 -5.976 1.00 1.22 H new ATOM 0 HG3 GLU A 20 -6.741 -10.012 -5.116 1.00 1.22 H new ATOM 211 N ILE A 21 -3.159 -7.375 -2.775 1.00 0.19 N ATOM 212 CA ILE A 21 -2.387 -6.316 -2.070 1.00 0.16 C ATOM 213 C ILE A 21 -1.155 -5.980 -2.908 1.00 0.14 C ATOM 214 O ILE A 21 -0.911 -4.838 -3.246 1.00 0.16 O ATOM 215 CB ILE A 21 -1.949 -6.830 -0.696 1.00 0.22 C ATOM 216 CG1 ILE A 21 -3.123 -7.541 -0.018 1.00 0.41 C ATOM 217 CG2 ILE A 21 -1.500 -5.654 0.173 1.00 0.21 C ATOM 218 CD1 ILE A 21 -4.350 -6.627 -0.032 1.00 0.41 C ATOM 0 H ILE A 21 -3.159 -8.287 -2.318 1.00 0.19 H new ATOM 0 HA ILE A 21 -3.004 -5.427 -1.936 1.00 0.16 H new ATOM 0 HB ILE A 21 -1.121 -7.528 -0.820 1.00 0.22 H new ATOM 0 HG12 ILE A 21 -3.345 -8.474 -0.536 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -2.861 -7.801 1.008 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -1.189 -6.022 1.151 1.00 0.21 H new ATOM 0 HG22 ILE A 21 -0.664 -5.146 -0.307 1.00 0.21 H new ATOM 0 HG23 ILE A 21 -2.327 -4.955 0.295 1.00 0.21 H new ATOM 0 HD11 ILE A 21 -5.186 -7.133 0.451 1.00 0.41 H new ATOM 0 HD12 ILE A 21 -4.124 -5.706 0.506 1.00 0.41 H new ATOM 0 HD13 ILE A 21 -4.615 -6.390 -1.062 1.00 0.41 H new ATOM 230 N GLN A 22 -0.386 -6.974 -3.264 1.00 0.16 N ATOM 231 CA GLN A 22 0.819 -6.722 -4.099 1.00 0.21 C ATOM 232 C GLN A 22 0.380 -5.969 -5.357 1.00 0.19 C ATOM 233 O GLN A 22 1.165 -5.313 -6.010 1.00 0.22 O ATOM 234 CB GLN A 22 1.467 -8.071 -4.464 1.00 0.31 C ATOM 235 CG GLN A 22 2.280 -7.965 -5.765 1.00 0.61 C ATOM 236 CD GLN A 22 3.624 -7.287 -5.488 1.00 0.53 C ATOM 237 OE1 GLN A 22 4.667 -7.860 -5.735 1.00 1.32 O ATOM 238 NE2 GLN A 22 3.648 -6.084 -4.983 1.00 0.39 N ATOM 0 H GLN A 22 -0.542 -7.950 -3.011 1.00 0.16 H new ATOM 0 HA GLN A 22 1.552 -6.122 -3.560 1.00 0.21 H new ATOM 0 HB2 GLN A 22 2.117 -8.397 -3.652 1.00 0.31 H new ATOM 0 HB3 GLN A 22 0.693 -8.830 -4.577 1.00 0.31 H new ATOM 0 HG2 GLN A 22 2.444 -8.958 -6.183 1.00 0.61 H new ATOM 0 HG3 GLN A 22 1.722 -7.395 -6.507 1.00 0.61 H new ATOM 0 HE21 GLN A 22 2.774 -5.601 -4.775 1.00 0.39 H new ATOM 0 HE22 GLN A 22 4.541 -5.627 -4.797 1.00 0.39 H new ATOM 247 N GLU A 23 -0.877 -6.054 -5.697 1.00 0.18 N ATOM 248 CA GLU A 23 -1.371 -5.338 -6.904 1.00 0.21 C ATOM 249 C GLU A 23 -1.565 -3.861 -6.560 1.00 0.19 C ATOM 250 O GLU A 23 -1.235 -2.983 -7.333 1.00 0.20 O ATOM 251 CB GLU A 23 -2.707 -5.940 -7.347 1.00 0.24 C ATOM 252 CG GLU A 23 -3.003 -5.519 -8.788 1.00 0.52 C ATOM 253 CD GLU A 23 -3.982 -6.511 -9.419 1.00 1.49 C ATOM 254 OE1 GLU A 23 -3.803 -7.700 -9.216 1.00 2.22 O ATOM 255 OE2 GLU A 23 -4.893 -6.063 -10.096 1.00 2.24 O ATOM 0 H GLU A 23 -1.582 -6.589 -5.190 1.00 0.18 H new ATOM 0 HA GLU A 23 -0.648 -5.437 -7.713 1.00 0.21 H new ATOM 0 HB2 GLU A 23 -2.670 -7.027 -7.275 1.00 0.24 H new ATOM 0 HB3 GLU A 23 -3.506 -5.603 -6.687 1.00 0.24 H new ATOM 0 HG2 GLU A 23 -3.425 -4.514 -8.805 1.00 0.52 H new ATOM 0 HG3 GLU A 23 -2.079 -5.486 -9.366 1.00 0.52 H new ATOM 262 N ILE A 24 -2.091 -3.581 -5.399 1.00 0.20 N ATOM 263 CA ILE A 24 -2.298 -2.163 -4.998 1.00 0.20 C ATOM 264 C ILE A 24 -0.949 -1.444 -4.981 1.00 0.20 C ATOM 265 O ILE A 24 -0.800 -0.365 -5.520 1.00 0.22 O ATOM 266 CB ILE A 24 -2.917 -2.115 -3.599 1.00 0.19 C ATOM 267 CG1 ILE A 24 -4.353 -2.644 -3.657 1.00 0.21 C ATOM 268 CG2 ILE A 24 -2.926 -0.671 -3.095 1.00 0.20 C ATOM 269 CD1 ILE A 24 -4.625 -3.524 -2.435 1.00 0.26 C ATOM 0 H ILE A 24 -2.386 -4.274 -4.711 1.00 0.20 H new ATOM 0 HA ILE A 24 -2.966 -1.675 -5.708 1.00 0.20 H new ATOM 0 HB ILE A 24 -2.329 -2.733 -2.921 1.00 0.19 H new ATOM 0 HG12 ILE A 24 -5.057 -1.812 -3.683 1.00 0.21 H new ATOM 0 HG13 ILE A 24 -4.503 -3.218 -4.572 1.00 0.21 H new ATOM 0 HG21 ILE A 24 -3.367 -0.636 -2.099 1.00 0.20 H new ATOM 0 HG22 ILE A 24 -1.904 -0.294 -3.053 1.00 0.20 H new ATOM 0 HG23 ILE A 24 -3.514 -0.052 -3.773 1.00 0.20 H new ATOM 0 HD11 ILE A 24 -5.647 -3.900 -2.478 1.00 0.26 H new ATOM 0 HD12 ILE A 24 -3.930 -4.363 -2.429 1.00 0.26 H new ATOM 0 HD13 ILE A 24 -4.492 -2.936 -1.527 1.00 0.26 H new ATOM 281 N VAL A 25 0.038 -2.038 -4.367 1.00 0.20 N ATOM 282 CA VAL A 25 1.381 -1.396 -4.313 1.00 0.23 C ATOM 283 C VAL A 25 2.051 -1.505 -5.684 1.00 0.26 C ATOM 284 O VAL A 25 2.821 -0.653 -6.080 1.00 0.30 O ATOM 285 CB VAL A 25 2.239 -2.104 -3.262 1.00 0.22 C ATOM 286 CG1 VAL A 25 2.114 -3.618 -3.439 1.00 0.20 C ATOM 287 CG2 VAL A 25 3.705 -1.693 -3.431 1.00 0.26 C ATOM 0 H VAL A 25 -0.029 -2.942 -3.900 1.00 0.20 H new ATOM 0 HA VAL A 25 1.275 -0.345 -4.045 1.00 0.23 H new ATOM 0 HB VAL A 25 1.896 -1.822 -2.267 1.00 0.22 H new ATOM 0 HG11 VAL A 25 2.725 -4.123 -2.691 1.00 0.20 H new ATOM 0 HG12 VAL A 25 1.072 -3.914 -3.317 1.00 0.20 H new ATOM 0 HG13 VAL A 25 2.456 -3.897 -4.436 1.00 0.20 H new ATOM 0 HG21 VAL A 25 4.313 -2.199 -2.681 1.00 0.26 H new ATOM 0 HG22 VAL A 25 4.049 -1.973 -4.427 1.00 0.26 H new ATOM 0 HG23 VAL A 25 3.797 -0.614 -3.306 1.00 0.26 H new ATOM 297 N ASP A 26 1.761 -2.546 -6.414 1.00 0.27 N ATOM 298 CA ASP A 26 2.379 -2.703 -7.760 1.00 0.32 C ATOM 299 C ASP A 26 1.747 -1.693 -8.717 1.00 0.31 C ATOM 300 O ASP A 26 2.290 -1.384 -9.759 1.00 0.38 O ATOM 301 CB ASP A 26 2.136 -4.122 -8.277 1.00 0.36 C ATOM 302 CG ASP A 26 2.871 -4.313 -9.605 1.00 0.54 C ATOM 303 OD1 ASP A 26 3.540 -3.384 -10.028 1.00 1.29 O ATOM 304 OD2 ASP A 26 2.754 -5.385 -10.176 1.00 1.16 O ATOM 0 H ASP A 26 1.124 -3.293 -6.137 1.00 0.27 H new ATOM 0 HA ASP A 26 3.453 -2.528 -7.694 1.00 0.32 H new ATOM 0 HB2 ASP A 26 2.486 -4.852 -7.547 1.00 0.36 H new ATOM 0 HB3 ASP A 26 1.068 -4.294 -8.412 1.00 0.36 H new ATOM 309 N LYS A 27 0.604 -1.171 -8.365 1.00 0.26 N ATOM 310 CA LYS A 27 -0.064 -0.175 -9.245 1.00 0.29 C ATOM 311 C LYS A 27 0.425 1.225 -8.874 1.00 0.28 C ATOM 312 O LYS A 27 0.374 2.144 -9.668 1.00 0.33 O ATOM 313 CB LYS A 27 -1.579 -0.254 -9.048 1.00 0.32 C ATOM 314 CG LYS A 27 -2.238 -0.737 -10.342 1.00 0.86 C ATOM 315 CD LYS A 27 -3.735 -0.943 -10.105 1.00 1.24 C ATOM 316 CE LYS A 27 -4.381 -1.496 -11.375 1.00 1.76 C ATOM 317 NZ LYS A 27 -5.679 -0.803 -11.616 1.00 2.49 N ATOM 0 H LYS A 27 0.104 -1.393 -7.504 1.00 0.26 H new ATOM 0 HA LYS A 27 0.176 -0.386 -10.287 1.00 0.29 H new ATOM 0 HB2 LYS A 27 -1.815 -0.936 -8.231 1.00 0.32 H new ATOM 0 HB3 LYS A 27 -1.972 0.724 -8.771 1.00 0.32 H new ATOM 0 HG2 LYS A 27 -2.082 -0.008 -11.137 1.00 0.86 H new ATOM 0 HG3 LYS A 27 -1.779 -1.670 -10.670 1.00 0.86 H new ATOM 0 HD2 LYS A 27 -3.891 -1.632 -9.275 1.00 1.24 H new ATOM 0 HD3 LYS A 27 -4.203 0.001 -9.828 1.00 1.24 H new ATOM 0 HE2 LYS A 27 -3.716 -1.351 -12.226 1.00 1.76 H new ATOM 0 HE3 LYS A 27 -4.543 -2.569 -11.276 1.00 1.76 H new ATOM 0 HZ1 LYS A 27 -6.118 -1.179 -12.480 1.00 2.49 H new ATOM 0 HZ2 LYS A 27 -6.313 -0.963 -10.807 1.00 2.49 H new ATOM 0 HZ3 LYS A 27 -5.512 0.217 -11.729 1.00 2.49 H new ATOM 331 N VAL A 28 0.903 1.392 -7.671 1.00 0.25 N ATOM 332 CA VAL A 28 1.401 2.728 -7.244 1.00 0.25 C ATOM 333 C VAL A 28 2.931 2.736 -7.279 1.00 0.23 C ATOM 334 O VAL A 28 3.563 3.717 -6.942 1.00 0.26 O ATOM 335 CB VAL A 28 0.920 3.020 -5.821 1.00 0.28 C ATOM 336 CG1 VAL A 28 -0.606 3.127 -5.812 1.00 0.37 C ATOM 337 CG2 VAL A 28 1.355 1.884 -4.893 1.00 0.31 C ATOM 0 H VAL A 28 0.970 0.659 -6.965 1.00 0.25 H new ATOM 0 HA VAL A 28 1.019 3.493 -7.920 1.00 0.25 H new ATOM 0 HB VAL A 28 1.354 3.959 -5.476 1.00 0.28 H new ATOM 0 HG11 VAL A 28 -0.950 3.335 -4.799 1.00 0.37 H new ATOM 0 HG12 VAL A 28 -0.918 3.935 -6.474 1.00 0.37 H new ATOM 0 HG13 VAL A 28 -1.039 2.188 -6.156 1.00 0.37 H new ATOM 0 HG21 VAL A 28 1.013 2.091 -3.879 1.00 0.31 H new ATOM 0 HG22 VAL A 28 0.921 0.946 -5.238 1.00 0.31 H new ATOM 0 HG23 VAL A 28 2.442 1.805 -4.900 1.00 0.31 H new ATOM 347 N LYS A 29 3.534 1.650 -7.688 1.00 0.24 N ATOM 348 CA LYS A 29 5.021 1.606 -7.746 1.00 0.26 C ATOM 349 C LYS A 29 5.557 2.783 -8.576 1.00 0.24 C ATOM 350 O LYS A 29 6.505 3.425 -8.170 1.00 0.27 O ATOM 351 CB LYS A 29 5.482 0.282 -8.362 1.00 0.32 C ATOM 352 CG LYS A 29 6.994 0.332 -8.598 1.00 0.77 C ATOM 353 CD LYS A 29 7.530 -1.089 -8.780 1.00 0.89 C ATOM 354 CE LYS A 29 7.093 -1.627 -10.144 1.00 1.26 C ATOM 355 NZ LYS A 29 8.264 -1.651 -11.066 1.00 1.75 N ATOM 0 H LYS A 29 3.061 0.796 -7.983 1.00 0.24 H new ATOM 0 HA LYS A 29 5.413 1.684 -6.732 1.00 0.26 H new ATOM 0 HB2 LYS A 29 5.233 -0.547 -7.699 1.00 0.32 H new ATOM 0 HB3 LYS A 29 4.961 0.105 -9.303 1.00 0.32 H new ATOM 0 HG2 LYS A 29 7.215 0.931 -9.481 1.00 0.77 H new ATOM 0 HG3 LYS A 29 7.489 0.813 -7.754 1.00 0.77 H new ATOM 0 HD2 LYS A 29 8.618 -1.091 -8.708 1.00 0.89 H new ATOM 0 HD3 LYS A 29 7.156 -1.735 -7.985 1.00 0.89 H new ATOM 0 HE2 LYS A 29 6.681 -2.630 -10.036 1.00 1.26 H new ATOM 0 HE3 LYS A 29 6.303 -1.000 -10.558 1.00 1.26 H new ATOM 0 HZ1 LYS A 29 7.968 -2.017 -11.994 1.00 1.75 H new ATOM 0 HZ2 LYS A 29 8.638 -0.687 -11.177 1.00 1.75 H new ATOM 0 HZ3 LYS A 29 9.004 -2.266 -10.671 1.00 1.75 H new ATOM 369 N PRO A 30 4.944 3.050 -9.711 1.00 0.24 N ATOM 370 CA PRO A 30 5.372 4.160 -10.580 1.00 0.27 C ATOM 371 C PRO A 30 4.891 5.491 -9.998 1.00 0.26 C ATOM 372 O PRO A 30 5.531 6.513 -10.144 1.00 0.30 O ATOM 373 CB PRO A 30 4.696 3.858 -11.920 1.00 0.32 C ATOM 374 CG PRO A 30 3.497 2.936 -11.605 1.00 0.32 C ATOM 375 CD PRO A 30 3.783 2.292 -10.234 1.00 0.27 C ATOM 0 HA PRO A 30 6.454 4.244 -10.678 1.00 0.27 H new ATOM 0 HB2 PRO A 30 4.363 4.777 -12.403 1.00 0.32 H new ATOM 0 HB3 PRO A 30 5.391 3.372 -12.605 1.00 0.32 H new ATOM 0 HG2 PRO A 30 2.568 3.505 -11.579 1.00 0.32 H new ATOM 0 HG3 PRO A 30 3.383 2.173 -12.375 1.00 0.32 H new ATOM 0 HD2 PRO A 30 2.923 2.372 -9.569 1.00 0.27 H new ATOM 0 HD3 PRO A 30 4.012 1.231 -10.332 1.00 0.27 H new ATOM 383 N GLN A 31 3.773 5.481 -9.324 1.00 0.26 N ATOM 384 CA GLN A 31 3.260 6.739 -8.716 1.00 0.27 C ATOM 385 C GLN A 31 4.067 7.046 -7.452 1.00 0.28 C ATOM 386 O GLN A 31 3.894 8.073 -6.825 1.00 0.36 O ATOM 387 CB GLN A 31 1.785 6.563 -8.347 1.00 0.28 C ATOM 388 CG GLN A 31 0.947 6.440 -9.621 1.00 0.45 C ATOM 389 CD GLN A 31 -0.527 6.271 -9.249 1.00 0.53 C ATOM 390 OE1 GLN A 31 -1.390 6.888 -9.841 1.00 1.25 O ATOM 391 NE2 GLN A 31 -0.855 5.454 -8.285 1.00 0.43 N ATOM 0 H GLN A 31 3.194 4.656 -9.169 1.00 0.26 H new ATOM 0 HA GLN A 31 3.359 7.559 -9.427 1.00 0.27 H new ATOM 0 HB2 GLN A 31 1.658 5.674 -7.729 1.00 0.28 H new ATOM 0 HB3 GLN A 31 1.444 7.413 -7.756 1.00 0.28 H new ATOM 0 HG2 GLN A 31 1.077 7.327 -10.241 1.00 0.45 H new ATOM 0 HG3 GLN A 31 1.284 5.587 -10.210 1.00 0.45 H new ATOM 0 HE21 GLN A 31 -0.131 4.936 -7.787 1.00 0.43 H new ATOM 0 HE22 GLN A 31 -1.835 5.334 -8.029 1.00 0.43 H new ATOM 400 N LEU A 32 4.945 6.156 -7.070 1.00 0.26 N ATOM 401 CA LEU A 32 5.762 6.384 -5.845 1.00 0.32 C ATOM 402 C LEU A 32 7.112 6.994 -6.231 1.00 0.37 C ATOM 403 O LEU A 32 7.619 7.874 -5.566 1.00 0.49 O ATOM 404 CB LEU A 32 6.001 5.046 -5.142 1.00 0.35 C ATOM 405 CG LEU A 32 4.874 4.778 -4.144 1.00 0.43 C ATOM 406 CD1 LEU A 32 4.583 3.278 -4.095 1.00 0.60 C ATOM 407 CD2 LEU A 32 5.302 5.258 -2.755 1.00 0.57 C ATOM 0 H LEU A 32 5.131 5.279 -7.556 1.00 0.26 H new ATOM 0 HA LEU A 32 5.232 7.065 -5.179 1.00 0.32 H new ATOM 0 HB2 LEU A 32 6.048 4.242 -5.876 1.00 0.35 H new ATOM 0 HB3 LEU A 32 6.961 5.062 -4.625 1.00 0.35 H new ATOM 0 HG LEU A 32 3.977 5.313 -4.455 1.00 0.43 H new ATOM 0 HD11 LEU A 32 3.780 3.086 -3.384 1.00 0.60 H new ATOM 0 HD12 LEU A 32 4.282 2.933 -5.084 1.00 0.60 H new ATOM 0 HD13 LEU A 32 5.480 2.743 -3.782 1.00 0.60 H new ATOM 0 HD21 LEU A 32 4.500 5.068 -2.041 1.00 0.57 H new ATOM 0 HD22 LEU A 32 6.199 4.721 -2.445 1.00 0.57 H new ATOM 0 HD23 LEU A 32 5.512 6.327 -2.788 1.00 0.57 H new ATOM 419 N GLU A 33 7.705 6.523 -7.294 1.00 0.34 N ATOM 420 CA GLU A 33 9.029 7.065 -7.713 1.00 0.44 C ATOM 421 C GLU A 33 8.879 8.510 -8.195 1.00 0.49 C ATOM 422 O GLU A 33 9.845 9.239 -8.298 1.00 0.69 O ATOM 423 CB GLU A 33 9.590 6.210 -8.850 1.00 0.54 C ATOM 424 CG GLU A 33 9.909 4.809 -8.327 1.00 0.92 C ATOM 425 CD GLU A 33 10.306 3.906 -9.496 1.00 1.39 C ATOM 426 OE1 GLU A 33 10.748 4.435 -10.503 1.00 1.90 O ATOM 427 OE2 GLU A 33 10.162 2.702 -9.364 1.00 2.03 O ATOM 0 H GLU A 33 7.330 5.786 -7.891 1.00 0.34 H new ATOM 0 HA GLU A 33 9.708 7.042 -6.861 1.00 0.44 H new ATOM 0 HB2 GLU A 33 8.868 6.150 -9.664 1.00 0.54 H new ATOM 0 HB3 GLU A 33 10.490 6.672 -9.256 1.00 0.54 H new ATOM 0 HG2 GLU A 33 10.719 4.857 -7.599 1.00 0.92 H new ATOM 0 HG3 GLU A 33 9.042 4.395 -7.812 1.00 0.92 H new ATOM 434 N GLU A 34 7.683 8.932 -8.501 1.00 0.46 N ATOM 435 CA GLU A 34 7.496 10.329 -8.984 1.00 0.60 C ATOM 436 C GLU A 34 6.884 11.190 -7.877 1.00 0.56 C ATOM 437 O GLU A 34 6.829 12.400 -7.981 1.00 0.75 O ATOM 438 CB GLU A 34 6.570 10.328 -10.201 1.00 0.79 C ATOM 439 CG GLU A 34 7.336 10.843 -11.421 1.00 1.32 C ATOM 440 CD GLU A 34 6.377 10.981 -12.604 1.00 1.62 C ATOM 441 OE1 GLU A 34 5.756 12.025 -12.719 1.00 2.10 O ATOM 442 OE2 GLU A 34 6.279 10.040 -13.374 1.00 2.15 O ATOM 0 H GLU A 34 6.832 8.374 -8.438 1.00 0.46 H new ATOM 0 HA GLU A 34 8.465 10.743 -9.261 1.00 0.60 H new ATOM 0 HB2 GLU A 34 6.199 9.320 -10.389 1.00 0.79 H new ATOM 0 HB3 GLU A 34 5.701 10.957 -10.011 1.00 0.79 H new ATOM 0 HG2 GLU A 34 7.794 11.806 -11.196 1.00 1.32 H new ATOM 0 HG3 GLU A 34 8.144 10.157 -11.673 1.00 1.32 H new ATOM 449 N LYS A 35 6.422 10.583 -6.818 1.00 0.49 N ATOM 450 CA LYS A 35 5.815 11.378 -5.714 1.00 0.53 C ATOM 451 C LYS A 35 6.843 11.577 -4.597 1.00 0.53 C ATOM 452 O LYS A 35 6.791 12.540 -3.858 1.00 0.91 O ATOM 453 CB LYS A 35 4.597 10.639 -5.157 1.00 0.65 C ATOM 454 CG LYS A 35 3.534 11.657 -4.738 1.00 1.09 C ATOM 455 CD LYS A 35 2.144 11.030 -4.866 1.00 1.55 C ATOM 456 CE LYS A 35 1.410 11.653 -6.055 1.00 2.14 C ATOM 457 NZ LYS A 35 0.336 12.559 -5.557 1.00 2.62 N ATOM 0 H LYS A 35 6.439 9.574 -6.670 1.00 0.49 H new ATOM 0 HA LYS A 35 5.505 12.349 -6.100 1.00 0.53 H new ATOM 0 HB2 LYS A 35 4.192 9.963 -5.910 1.00 0.65 H new ATOM 0 HB3 LYS A 35 4.888 10.028 -4.303 1.00 0.65 H new ATOM 0 HG2 LYS A 35 3.707 11.976 -3.710 1.00 1.09 H new ATOM 0 HG3 LYS A 35 3.602 12.547 -5.364 1.00 1.09 H new ATOM 0 HD2 LYS A 35 2.231 9.952 -5.003 1.00 1.55 H new ATOM 0 HD3 LYS A 35 1.576 11.190 -3.950 1.00 1.55 H new ATOM 0 HE2 LYS A 35 2.111 12.210 -6.677 1.00 2.14 H new ATOM 0 HE3 LYS A 35 0.980 10.871 -6.681 1.00 2.14 H new ATOM 0 HZ1 LYS A 35 -0.163 12.983 -6.365 1.00 2.62 H new ATOM 0 HZ2 LYS A 35 -0.337 12.015 -4.981 1.00 2.62 H new ATOM 0 HZ3 LYS A 35 0.758 13.312 -4.977 1.00 2.62 H new ATOM 471 N THR A 36 7.778 10.675 -4.465 1.00 0.47 N ATOM 472 CA THR A 36 8.804 10.820 -3.393 1.00 0.51 C ATOM 473 C THR A 36 10.157 11.152 -4.025 1.00 0.58 C ATOM 474 O THR A 36 11.018 11.720 -3.388 1.00 0.87 O ATOM 475 CB THR A 36 8.912 9.516 -2.600 1.00 0.63 C ATOM 476 OG1 THR A 36 9.985 9.614 -1.674 1.00 1.53 O ATOM 477 CG2 THR A 36 9.167 8.352 -3.557 1.00 1.15 C ATOM 0 H THR A 36 7.876 9.846 -5.051 1.00 0.47 H new ATOM 0 HA THR A 36 8.511 11.625 -2.719 1.00 0.51 H new ATOM 0 HB THR A 36 7.981 9.341 -2.061 1.00 0.63 H new ATOM 0 HG1 THR A 36 10.054 8.780 -1.164 1.00 1.53 H new ATOM 0 HG21 THR A 36 9.244 7.425 -2.990 1.00 1.15 H new ATOM 0 HG22 THR A 36 8.343 8.277 -4.266 1.00 1.15 H new ATOM 0 HG23 THR A 36 10.097 8.524 -4.099 1.00 1.15 H new ATOM 485 N ASN A 37 10.335 10.804 -5.276 1.00 0.68 N ATOM 486 CA ASN A 37 11.620 11.096 -5.987 1.00 0.80 C ATOM 487 C ASN A 37 12.626 9.955 -5.765 1.00 0.74 C ATOM 488 O ASN A 37 13.823 10.159 -5.792 1.00 1.06 O ATOM 489 CB ASN A 37 12.193 12.449 -5.508 1.00 1.16 C ATOM 490 CG ASN A 37 13.283 12.258 -4.439 1.00 1.45 C ATOM 491 OD1 ASN A 37 13.270 11.296 -3.696 1.00 1.98 O ATOM 492 ND2 ASN A 37 14.231 13.148 -4.334 1.00 1.90 N ATOM 0 H ASN A 37 9.636 10.324 -5.842 1.00 0.68 H new ATOM 0 HA ASN A 37 11.428 11.167 -7.058 1.00 0.80 H new ATOM 0 HB2 ASN A 37 12.608 12.990 -6.358 1.00 1.16 H new ATOM 0 HB3 ASN A 37 11.388 13.062 -5.102 1.00 1.16 H new ATOM 0 HD21 ASN A 37 14.960 13.036 -3.629 1.00 1.90 H new ATOM 0 HD22 ASN A 37 14.243 13.956 -4.957 1.00 1.90 H new ATOM 499 N GLU A 38 12.152 8.756 -5.559 1.00 0.71 N ATOM 500 CA GLU A 38 13.090 7.614 -5.348 1.00 0.91 C ATOM 501 C GLU A 38 12.938 6.607 -6.492 1.00 0.69 C ATOM 502 O GLU A 38 12.063 6.729 -7.327 1.00 1.01 O ATOM 503 CB GLU A 38 12.774 6.929 -4.017 1.00 1.53 C ATOM 504 CG GLU A 38 13.863 7.270 -2.997 1.00 1.72 C ATOM 505 CD GLU A 38 15.066 6.347 -3.205 1.00 2.39 C ATOM 506 OE1 GLU A 38 14.918 5.156 -2.985 1.00 2.96 O ATOM 507 OE2 GLU A 38 16.115 6.846 -3.578 1.00 2.87 O ATOM 0 H GLU A 38 11.161 8.518 -5.528 1.00 0.71 H new ATOM 0 HA GLU A 38 14.114 7.987 -5.328 1.00 0.91 H new ATOM 0 HB2 GLU A 38 11.801 7.256 -3.649 1.00 1.53 H new ATOM 0 HB3 GLU A 38 12.716 5.849 -4.156 1.00 1.53 H new ATOM 0 HG2 GLU A 38 14.167 8.311 -3.108 1.00 1.72 H new ATOM 0 HG3 GLU A 38 13.476 7.157 -1.984 1.00 1.72 H new ATOM 514 N THR A 39 13.787 5.615 -6.541 1.00 0.71 N ATOM 515 CA THR A 39 13.697 4.604 -7.634 1.00 0.87 C ATOM 516 C THR A 39 13.344 3.236 -7.043 1.00 0.84 C ATOM 517 O THR A 39 14.088 2.283 -7.168 1.00 1.68 O ATOM 518 CB THR A 39 15.046 4.518 -8.353 1.00 1.34 C ATOM 519 OG1 THR A 39 15.485 5.827 -8.687 1.00 1.51 O ATOM 520 CG2 THR A 39 14.899 3.686 -9.628 1.00 2.04 C ATOM 0 H THR A 39 14.540 5.461 -5.870 1.00 0.71 H new ATOM 0 HA THR A 39 12.922 4.900 -8.341 1.00 0.87 H new ATOM 0 HB THR A 39 15.777 4.044 -7.698 1.00 1.34 H new ATOM 0 HG1 THR A 39 16.349 5.775 -9.146 1.00 1.51 H new ATOM 0 HG21 THR A 39 15.861 3.627 -10.137 1.00 2.04 H new ATOM 0 HG22 THR A 39 14.563 2.682 -9.370 1.00 2.04 H new ATOM 0 HG23 THR A 39 14.168 4.156 -10.287 1.00 2.04 H new ATOM 528 N TYR A 40 12.213 3.130 -6.400 1.00 0.64 N ATOM 529 CA TYR A 40 11.810 1.825 -5.800 1.00 0.45 C ATOM 530 C TYR A 40 11.872 0.722 -6.860 1.00 0.51 C ATOM 531 O TYR A 40 12.274 0.946 -7.985 1.00 0.93 O ATOM 532 CB TYR A 40 10.380 1.930 -5.268 1.00 0.51 C ATOM 533 CG TYR A 40 10.283 3.093 -4.313 1.00 0.39 C ATOM 534 CD1 TYR A 40 11.211 3.223 -3.272 1.00 1.24 C ATOM 535 CD2 TYR A 40 9.266 4.044 -4.467 1.00 1.22 C ATOM 536 CE1 TYR A 40 11.122 4.303 -2.384 1.00 1.29 C ATOM 537 CE2 TYR A 40 9.176 5.124 -3.580 1.00 1.28 C ATOM 538 CZ TYR A 40 10.105 5.254 -2.539 1.00 0.65 C ATOM 539 OH TYR A 40 10.017 6.318 -1.664 1.00 0.89 O ATOM 0 H TYR A 40 11.549 3.892 -6.264 1.00 0.64 H new ATOM 0 HA TYR A 40 12.492 1.582 -4.985 1.00 0.45 H new ATOM 0 HB2 TYR A 40 9.682 2.065 -6.094 1.00 0.51 H new ATOM 0 HB3 TYR A 40 10.100 1.006 -4.762 1.00 0.51 H new ATOM 0 HD1 TYR A 40 11.996 2.490 -3.154 1.00 1.24 H new ATOM 0 HD2 TYR A 40 8.551 3.944 -5.270 1.00 1.22 H new ATOM 0 HE1 TYR A 40 11.837 4.402 -1.581 1.00 1.29 H new ATOM 0 HE2 TYR A 40 8.391 5.856 -3.698 1.00 1.28 H new ATOM 0 HH TYR A 40 9.116 6.352 -1.280 1.00 0.89 H new ATOM 549 N GLY A 43 11.471 -0.468 -6.504 1.00 0.40 N ATOM 550 CA GLY A 43 11.494 -1.595 -7.480 1.00 0.46 C ATOM 551 C GLY A 43 10.417 -2.611 -7.093 1.00 0.40 C ATOM 552 O GLY A 43 9.333 -2.250 -6.680 1.00 0.50 O ATOM 0 H GLY A 43 11.127 -0.709 -5.575 1.00 0.40 H new ATOM 0 HA2 GLY A 43 11.316 -1.223 -8.489 1.00 0.46 H new ATOM 0 HA3 GLY A 43 12.475 -2.070 -7.484 1.00 0.46 H new ATOM 556 N LYS A 44 10.704 -3.878 -7.216 1.00 0.33 N ATOM 557 CA LYS A 44 9.691 -4.907 -6.844 1.00 0.31 C ATOM 558 C LYS A 44 9.214 -4.645 -5.413 1.00 0.26 C ATOM 559 O LYS A 44 10.003 -4.552 -4.496 1.00 0.29 O ATOM 560 CB LYS A 44 10.321 -6.299 -6.932 1.00 0.33 C ATOM 561 CG LYS A 44 9.763 -7.033 -8.153 1.00 0.85 C ATOM 562 CD LYS A 44 10.804 -8.021 -8.682 1.00 1.57 C ATOM 563 CE LYS A 44 10.102 -9.127 -9.472 1.00 2.25 C ATOM 564 NZ LYS A 44 8.966 -8.542 -10.239 1.00 3.01 N ATOM 0 H LYS A 44 11.593 -4.245 -7.557 1.00 0.33 H new ATOM 0 HA LYS A 44 8.843 -4.854 -7.527 1.00 0.31 H new ATOM 0 HB2 LYS A 44 11.405 -6.215 -7.008 1.00 0.33 H new ATOM 0 HB3 LYS A 44 10.108 -6.865 -6.025 1.00 0.33 H new ATOM 0 HG2 LYS A 44 8.849 -7.562 -7.884 1.00 0.85 H new ATOM 0 HG3 LYS A 44 9.500 -6.316 -8.931 1.00 0.85 H new ATOM 0 HD2 LYS A 44 11.521 -7.504 -9.319 1.00 1.57 H new ATOM 0 HD3 LYS A 44 11.366 -8.452 -7.853 1.00 1.57 H new ATOM 0 HE2 LYS A 44 10.806 -9.606 -10.152 1.00 2.25 H new ATOM 0 HE3 LYS A 44 9.738 -9.899 -8.794 1.00 2.25 H new ATOM 0 HZ1 LYS A 44 8.749 -9.149 -11.055 1.00 3.01 H new ATOM 0 HZ2 LYS A 44 8.130 -8.476 -9.624 1.00 3.01 H new ATOM 0 HZ3 LYS A 44 9.226 -7.592 -10.574 1.00 3.01 H new ATOM 578 N LEU A 45 7.931 -4.512 -5.216 1.00 0.22 N ATOM 579 CA LEU A 45 7.415 -4.240 -3.843 1.00 0.21 C ATOM 580 C LEU A 45 6.712 -5.480 -3.284 1.00 0.23 C ATOM 581 O LEU A 45 5.530 -5.459 -3.004 1.00 0.30 O ATOM 582 CB LEU A 45 6.425 -3.076 -3.899 1.00 0.21 C ATOM 583 CG LEU A 45 7.084 -1.882 -4.592 1.00 0.24 C ATOM 584 CD1 LEU A 45 6.159 -0.667 -4.510 1.00 0.26 C ATOM 585 CD2 LEU A 45 8.410 -1.561 -3.898 1.00 0.27 C ATOM 0 H LEU A 45 7.219 -4.580 -5.943 1.00 0.22 H new ATOM 0 HA LEU A 45 8.252 -3.986 -3.192 1.00 0.21 H new ATOM 0 HB2 LEU A 45 5.527 -3.374 -4.439 1.00 0.21 H new ATOM 0 HB3 LEU A 45 6.114 -2.800 -2.891 1.00 0.21 H new ATOM 0 HG LEU A 45 7.269 -2.126 -5.638 1.00 0.24 H new ATOM 0 HD11 LEU A 45 6.630 0.183 -5.004 1.00 0.26 H new ATOM 0 HD12 LEU A 45 5.214 -0.895 -5.003 1.00 0.26 H new ATOM 0 HD13 LEU A 45 5.973 -0.421 -3.464 1.00 0.26 H new ATOM 0 HD21 LEU A 45 8.882 -0.710 -4.390 1.00 0.27 H new ATOM 0 HD22 LEU A 45 8.224 -1.318 -2.852 1.00 0.27 H new ATOM 0 HD23 LEU A 45 9.070 -2.426 -3.957 1.00 0.27 H new ATOM 597 N GLU A 46 7.427 -6.558 -3.107 1.00 0.20 N ATOM 598 CA GLU A 46 6.792 -7.790 -2.556 1.00 0.24 C ATOM 599 C GLU A 46 5.975 -7.426 -1.314 1.00 0.20 C ATOM 600 O GLU A 46 6.517 -7.127 -0.269 1.00 0.21 O ATOM 601 CB GLU A 46 7.877 -8.799 -2.175 1.00 0.30 C ATOM 602 CG GLU A 46 7.890 -9.943 -3.191 1.00 0.78 C ATOM 603 CD GLU A 46 9.228 -10.680 -3.117 1.00 1.37 C ATOM 604 OE1 GLU A 46 10.215 -10.123 -3.569 1.00 2.05 O ATOM 605 OE2 GLU A 46 9.243 -11.789 -2.608 1.00 2.01 O ATOM 0 H GLU A 46 8.421 -6.639 -3.320 1.00 0.20 H new ATOM 0 HA GLU A 46 6.138 -8.230 -3.308 1.00 0.24 H new ATOM 0 HB2 GLU A 46 8.851 -8.310 -2.150 1.00 0.30 H new ATOM 0 HB3 GLU A 46 7.690 -9.189 -1.174 1.00 0.30 H new ATOM 0 HG2 GLU A 46 7.071 -10.633 -2.987 1.00 0.78 H new ATOM 0 HG3 GLU A 46 7.734 -9.552 -4.196 1.00 0.78 H new ATOM 612 N ALA A 47 4.674 -7.442 -1.419 1.00 0.20 N ATOM 613 CA ALA A 47 3.827 -7.088 -0.244 1.00 0.18 C ATOM 614 C ALA A 47 4.029 -8.115 0.875 1.00 0.22 C ATOM 615 O ALA A 47 4.071 -9.306 0.640 1.00 0.42 O ATOM 616 CB ALA A 47 2.355 -7.077 -0.663 1.00 0.20 C ATOM 0 H ALA A 47 4.161 -7.685 -2.267 1.00 0.20 H new ATOM 0 HA ALA A 47 4.114 -6.101 0.119 1.00 0.18 H new ATOM 0 HB1 ALA A 47 1.734 -6.818 0.195 1.00 0.20 H new ATOM 0 HB2 ALA A 47 2.207 -6.341 -1.453 1.00 0.20 H new ATOM 0 HB3 ALA A 47 2.074 -8.064 -1.030 1.00 0.20 H new ATOM 622 N VAL A 48 4.147 -7.658 2.094 1.00 0.19 N ATOM 623 CA VAL A 48 4.338 -8.601 3.235 1.00 0.20 C ATOM 624 C VAL A 48 3.120 -8.516 4.160 1.00 0.21 C ATOM 625 O VAL A 48 2.596 -9.515 4.610 1.00 0.24 O ATOM 626 CB VAL A 48 5.607 -8.219 4.007 1.00 0.22 C ATOM 627 CG1 VAL A 48 5.579 -8.843 5.406 1.00 0.28 C ATOM 628 CG2 VAL A 48 6.832 -8.735 3.250 1.00 0.28 C ATOM 0 H VAL A 48 4.119 -6.671 2.349 1.00 0.19 H new ATOM 0 HA VAL A 48 4.442 -9.620 2.862 1.00 0.20 H new ATOM 0 HB VAL A 48 5.656 -7.134 4.100 1.00 0.22 H new ATOM 0 HG11 VAL A 48 6.484 -8.566 5.946 1.00 0.28 H new ATOM 0 HG12 VAL A 48 4.707 -8.479 5.949 1.00 0.28 H new ATOM 0 HG13 VAL A 48 5.526 -9.928 5.319 1.00 0.28 H new ATOM 0 HG21 VAL A 48 7.737 -8.466 3.795 1.00 0.28 H new ATOM 0 HG22 VAL A 48 6.773 -9.820 3.158 1.00 0.28 H new ATOM 0 HG23 VAL A 48 6.861 -8.288 2.256 1.00 0.28 H new ATOM 638 N GLN A 49 2.669 -7.326 4.443 1.00 0.20 N ATOM 639 CA GLN A 49 1.484 -7.160 5.332 1.00 0.22 C ATOM 640 C GLN A 49 0.642 -5.997 4.810 1.00 0.19 C ATOM 641 O GLN A 49 1.042 -5.299 3.900 1.00 0.19 O ATOM 642 CB GLN A 49 1.952 -6.860 6.757 1.00 0.30 C ATOM 643 CG GLN A 49 2.366 -8.165 7.440 1.00 1.34 C ATOM 644 CD GLN A 49 3.059 -7.852 8.768 1.00 1.55 C ATOM 645 OE1 GLN A 49 4.034 -7.128 8.802 1.00 2.23 O ATOM 646 NE2 GLN A 49 2.593 -8.372 9.871 1.00 1.75 N ATOM 0 H GLN A 49 3.072 -6.456 4.095 1.00 0.20 H new ATOM 0 HA GLN A 49 0.890 -8.074 5.339 1.00 0.22 H new ATOM 0 HB2 GLN A 49 2.791 -6.165 6.737 1.00 0.30 H new ATOM 0 HB3 GLN A 49 1.153 -6.379 7.321 1.00 0.30 H new ATOM 0 HG2 GLN A 49 1.490 -8.790 7.614 1.00 1.34 H new ATOM 0 HG3 GLN A 49 3.037 -8.729 6.792 1.00 1.34 H new ATOM 0 HE21 GLN A 49 1.774 -8.980 9.842 1.00 1.75 H new ATOM 0 HE22 GLN A 49 3.047 -8.170 10.762 1.00 1.75 H new ATOM 655 N TYR A 50 -0.519 -5.774 5.363 1.00 0.21 N ATOM 656 CA TYR A 50 -1.350 -4.645 4.861 1.00 0.19 C ATOM 657 C TYR A 50 -2.600 -4.457 5.727 1.00 0.20 C ATOM 658 O TYR A 50 -3.287 -5.402 6.063 1.00 0.24 O ATOM 659 CB TYR A 50 -1.760 -4.933 3.410 1.00 0.18 C ATOM 660 CG TYR A 50 -2.939 -5.882 3.377 1.00 0.26 C ATOM 661 CD1 TYR A 50 -2.737 -7.262 3.516 1.00 1.16 C ATOM 662 CD2 TYR A 50 -4.235 -5.378 3.202 1.00 1.34 C ATOM 663 CE1 TYR A 50 -3.832 -8.137 3.480 1.00 1.19 C ATOM 664 CE2 TYR A 50 -5.329 -6.253 3.166 1.00 1.40 C ATOM 665 CZ TYR A 50 -5.127 -7.632 3.305 1.00 0.56 C ATOM 666 OH TYR A 50 -6.206 -8.493 3.268 1.00 0.72 O ATOM 0 H TYR A 50 -0.922 -6.315 6.128 1.00 0.21 H new ATOM 0 HA TYR A 50 -0.765 -3.727 4.909 1.00 0.19 H new ATOM 0 HB2 TYR A 50 -2.020 -4.002 2.906 1.00 0.18 H new ATOM 0 HB3 TYR A 50 -0.920 -5.366 2.867 1.00 0.18 H new ATOM 0 HD1 TYR A 50 -1.739 -7.651 3.651 1.00 1.16 H new ATOM 0 HD2 TYR A 50 -4.391 -4.315 3.095 1.00 1.34 H new ATOM 0 HE1 TYR A 50 -3.677 -9.200 3.587 1.00 1.19 H new ATOM 0 HE2 TYR A 50 -6.328 -5.864 3.031 1.00 1.40 H new ATOM 0 HH TYR A 50 -7.031 -7.979 3.141 1.00 0.72 H new ATOM 676 N LYS A 51 -2.903 -3.235 6.076 1.00 0.21 N ATOM 677 CA LYS A 51 -4.111 -2.961 6.902 1.00 0.23 C ATOM 678 C LYS A 51 -5.174 -2.294 6.024 1.00 0.17 C ATOM 679 O LYS A 51 -4.877 -1.428 5.225 1.00 0.29 O ATOM 680 CB LYS A 51 -3.740 -2.018 8.048 1.00 0.29 C ATOM 681 CG LYS A 51 -3.254 -2.835 9.247 1.00 0.49 C ATOM 682 CD LYS A 51 -2.379 -1.956 10.142 1.00 0.95 C ATOM 683 CE LYS A 51 -2.601 -2.340 11.606 1.00 1.34 C ATOM 684 NZ LYS A 51 -1.314 -2.794 12.203 1.00 1.49 N ATOM 0 H LYS A 51 -2.360 -2.410 5.821 1.00 0.21 H new ATOM 0 HA LYS A 51 -4.498 -3.895 7.310 1.00 0.23 H new ATOM 0 HB2 LYS A 51 -2.961 -1.327 7.726 1.00 0.29 H new ATOM 0 HB3 LYS A 51 -4.603 -1.416 8.331 1.00 0.29 H new ATOM 0 HG2 LYS A 51 -4.106 -3.214 9.812 1.00 0.49 H new ATOM 0 HG3 LYS A 51 -2.688 -3.701 8.905 1.00 0.49 H new ATOM 0 HD2 LYS A 51 -1.329 -2.080 9.877 1.00 0.95 H new ATOM 0 HD3 LYS A 51 -2.624 -0.905 9.989 1.00 0.95 H new ATOM 0 HE2 LYS A 51 -2.990 -1.487 12.161 1.00 1.34 H new ATOM 0 HE3 LYS A 51 -3.346 -3.133 11.676 1.00 1.34 H new ATOM 0 HZ1 LYS A 51 -1.468 -3.679 12.727 1.00 1.49 H new ATOM 0 HZ2 LYS A 51 -0.619 -2.956 11.447 1.00 1.49 H new ATOM 0 HZ3 LYS A 51 -0.956 -2.065 12.852 1.00 1.49 H new ATOM 698 N THR A 52 -6.409 -2.683 6.161 1.00 0.27 N ATOM 699 CA THR A 52 -7.474 -2.057 5.329 1.00 0.26 C ATOM 700 C THR A 52 -7.946 -0.764 6.002 1.00 0.42 C ATOM 701 O THR A 52 -7.378 -0.321 6.980 1.00 0.88 O ATOM 702 CB THR A 52 -8.652 -3.025 5.188 1.00 0.44 C ATOM 703 OG1 THR A 52 -8.845 -3.714 6.415 1.00 0.85 O ATOM 704 CG2 THR A 52 -8.356 -4.033 4.075 1.00 0.86 C ATOM 0 H THR A 52 -6.727 -3.403 6.809 1.00 0.27 H new ATOM 0 HA THR A 52 -7.078 -1.829 4.339 1.00 0.26 H new ATOM 0 HB THR A 52 -9.554 -2.467 4.938 1.00 0.44 H new ATOM 0 HG1 THR A 52 -9.600 -4.333 6.327 1.00 0.85 H new ATOM 0 HG21 THR A 52 -9.195 -4.722 3.975 1.00 0.86 H new ATOM 0 HG22 THR A 52 -8.208 -3.503 3.134 1.00 0.86 H new ATOM 0 HG23 THR A 52 -7.454 -4.593 4.322 1.00 0.86 H new ATOM 712 N GLN A 53 -8.979 -0.156 5.487 1.00 0.39 N ATOM 713 CA GLN A 53 -9.486 1.106 6.098 1.00 0.58 C ATOM 714 C GLN A 53 -10.915 1.358 5.618 1.00 0.48 C ATOM 715 O GLN A 53 -11.505 0.533 4.949 1.00 0.48 O ATOM 716 CB GLN A 53 -8.594 2.276 5.678 1.00 0.98 C ATOM 717 CG GLN A 53 -7.799 2.769 6.889 1.00 0.57 C ATOM 718 CD GLN A 53 -8.529 3.949 7.535 1.00 1.07 C ATOM 719 OE1 GLN A 53 -9.417 4.527 6.941 1.00 1.83 O ATOM 720 NE2 GLN A 53 -8.189 4.332 8.735 1.00 1.66 N ATOM 0 H GLN A 53 -9.495 -0.479 4.668 1.00 0.39 H new ATOM 0 HA GLN A 53 -9.473 1.016 7.184 1.00 0.58 H new ATOM 0 HB2 GLN A 53 -7.914 1.963 4.886 1.00 0.98 H new ATOM 0 HB3 GLN A 53 -9.203 3.085 5.275 1.00 0.98 H new ATOM 0 HG2 GLN A 53 -7.680 1.962 7.612 1.00 0.57 H new ATOM 0 HG3 GLN A 53 -6.798 3.072 6.581 1.00 0.57 H new ATOM 0 HE21 GLN A 53 -7.443 3.846 9.233 1.00 1.66 H new ATOM 0 HE22 GLN A 53 -8.669 5.117 9.175 1.00 1.66 H new ATOM 729 N VAL A 54 -11.483 2.485 5.953 1.00 0.55 N ATOM 730 CA VAL A 54 -12.876 2.765 5.505 1.00 0.56 C ATOM 731 C VAL A 54 -13.142 4.277 5.538 1.00 0.63 C ATOM 732 O VAL A 54 -12.531 5.015 6.283 1.00 0.73 O ATOM 733 CB VAL A 54 -13.858 1.999 6.418 1.00 0.72 C ATOM 734 CG1 VAL A 54 -15.000 2.905 6.902 1.00 0.90 C ATOM 735 CG2 VAL A 54 -14.454 0.827 5.635 1.00 0.86 C ATOM 0 H VAL A 54 -11.047 3.218 6.513 1.00 0.55 H new ATOM 0 HA VAL A 54 -13.017 2.427 4.478 1.00 0.56 H new ATOM 0 HB VAL A 54 -13.308 1.645 7.290 1.00 0.72 H new ATOM 0 HG11 VAL A 54 -15.672 2.333 7.542 1.00 0.90 H new ATOM 0 HG12 VAL A 54 -14.587 3.742 7.465 1.00 0.90 H new ATOM 0 HG13 VAL A 54 -15.553 3.284 6.043 1.00 0.90 H new ATOM 0 HG21 VAL A 54 -15.149 0.280 6.272 1.00 0.86 H new ATOM 0 HG22 VAL A 54 -14.984 1.205 4.761 1.00 0.86 H new ATOM 0 HG23 VAL A 54 -13.654 0.160 5.314 1.00 0.86 H new ATOM 745 N VAL A 55 -14.061 4.725 4.725 1.00 0.64 N ATOM 746 CA VAL A 55 -14.410 6.176 4.670 1.00 0.74 C ATOM 747 C VAL A 55 -15.371 6.383 3.496 1.00 0.76 C ATOM 748 O VAL A 55 -16.557 6.145 3.607 1.00 0.84 O ATOM 749 CB VAL A 55 -13.149 7.025 4.462 1.00 0.73 C ATOM 750 CG1 VAL A 55 -12.637 7.525 5.814 1.00 0.82 C ATOM 751 CG2 VAL A 55 -12.062 6.186 3.786 1.00 0.60 C ATOM 0 H VAL A 55 -14.594 4.136 4.085 1.00 0.64 H new ATOM 0 HA VAL A 55 -14.874 6.483 5.608 1.00 0.74 H new ATOM 0 HB VAL A 55 -13.394 7.876 3.827 1.00 0.73 H new ATOM 0 HG11 VAL A 55 -11.741 8.128 5.664 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -13.406 8.131 6.293 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -12.398 6.673 6.450 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -11.170 6.795 3.641 1.00 0.60 H new ATOM 0 HG22 VAL A 55 -11.819 5.330 4.415 1.00 0.60 H new ATOM 0 HG23 VAL A 55 -12.422 5.835 2.819 1.00 0.60 H new ATOM 761 N ALA A 56 -14.868 6.791 2.361 1.00 0.72 N ATOM 762 CA ALA A 56 -15.756 6.970 1.179 1.00 0.76 C ATOM 763 C ALA A 56 -15.596 5.747 0.274 1.00 0.64 C ATOM 764 O ALA A 56 -15.953 5.762 -0.887 1.00 0.64 O ATOM 765 CB ALA A 56 -15.358 8.234 0.415 1.00 0.82 C ATOM 0 H ALA A 56 -13.884 7.007 2.203 1.00 0.72 H new ATOM 0 HA ALA A 56 -16.793 7.071 1.500 1.00 0.76 H new ATOM 0 HB1 ALA A 56 -16.012 8.358 -0.448 1.00 0.82 H new ATOM 0 HB2 ALA A 56 -15.453 9.100 1.070 1.00 0.82 H new ATOM 0 HB3 ALA A 56 -14.325 8.145 0.078 1.00 0.82 H new ATOM 771 N GLY A 57 -15.050 4.687 0.811 1.00 0.58 N ATOM 772 CA GLY A 57 -14.844 3.447 0.013 1.00 0.53 C ATOM 773 C GLY A 57 -13.972 2.487 0.823 1.00 0.46 C ATOM 774 O GLY A 57 -14.454 1.776 1.683 1.00 0.54 O ATOM 0 H GLY A 57 -14.735 4.630 1.780 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -15.802 2.983 -0.220 1.00 0.53 H new ATOM 0 HA3 GLY A 57 -14.365 3.683 -0.937 1.00 0.53 H new ATOM 778 N THR A 58 -12.691 2.468 0.569 1.00 0.35 N ATOM 779 CA THR A 58 -11.796 1.559 1.340 1.00 0.30 C ATOM 780 C THR A 58 -10.331 1.932 1.090 1.00 0.22 C ATOM 781 O THR A 58 -9.741 1.536 0.105 1.00 0.26 O ATOM 782 CB THR A 58 -12.033 0.113 0.901 1.00 0.36 C ATOM 783 OG1 THR A 58 -13.428 -0.167 0.929 1.00 0.44 O ATOM 784 CG2 THR A 58 -11.294 -0.833 1.849 1.00 0.36 C ATOM 0 H THR A 58 -12.227 3.041 -0.136 1.00 0.35 H new ATOM 0 HA THR A 58 -12.016 1.660 2.403 1.00 0.30 H new ATOM 0 HB THR A 58 -11.659 -0.029 -0.113 1.00 0.36 H new ATOM 0 HG1 THR A 58 -13.845 0.323 1.668 1.00 0.44 H new ATOM 0 HG21 THR A 58 -11.462 -1.864 1.538 1.00 0.36 H new ATOM 0 HG22 THR A 58 -10.226 -0.615 1.822 1.00 0.36 H new ATOM 0 HG23 THR A 58 -11.667 -0.695 2.864 1.00 0.36 H new ATOM 792 N ASN A 59 -9.737 2.684 1.979 1.00 0.20 N ATOM 793 CA ASN A 59 -8.307 3.070 1.792 1.00 0.20 C ATOM 794 C ASN A 59 -7.433 1.819 1.909 1.00 0.18 C ATOM 795 O ASN A 59 -7.928 0.709 1.898 1.00 0.21 O ATOM 796 CB ASN A 59 -7.904 4.084 2.864 1.00 0.29 C ATOM 797 CG ASN A 59 -8.489 5.455 2.515 1.00 0.50 C ATOM 798 OD1 ASN A 59 -8.337 5.929 1.407 1.00 0.64 O ATOM 799 ND2 ASN A 59 -9.156 6.116 3.421 1.00 0.67 N ATOM 0 H ASN A 59 -10.178 3.047 2.824 1.00 0.20 H new ATOM 0 HA ASN A 59 -8.173 3.520 0.808 1.00 0.20 H new ATOM 0 HB2 ASN A 59 -8.265 3.760 3.840 1.00 0.29 H new ATOM 0 HB3 ASN A 59 -6.818 4.146 2.931 1.00 0.29 H new ATOM 0 HD21 ASN A 59 -9.550 7.030 3.199 1.00 0.67 H new ATOM 0 HD22 ASN A 59 -9.284 5.718 4.352 1.00 0.67 H new ATOM 806 N TYR A 60 -6.139 1.976 2.017 1.00 0.21 N ATOM 807 CA TYR A 60 -5.266 0.770 2.128 1.00 0.22 C ATOM 808 C TYR A 60 -4.020 1.066 2.968 1.00 0.23 C ATOM 809 O TYR A 60 -3.663 2.200 3.216 1.00 0.31 O ATOM 810 CB TYR A 60 -4.799 0.334 0.736 1.00 0.22 C ATOM 811 CG TYR A 60 -5.965 -0.166 -0.081 1.00 0.22 C ATOM 812 CD1 TYR A 60 -6.768 -1.210 0.398 1.00 1.17 C ATOM 813 CD2 TYR A 60 -6.231 0.406 -1.331 1.00 1.21 C ATOM 814 CE1 TYR A 60 -7.841 -1.676 -0.374 1.00 1.19 C ATOM 815 CE2 TYR A 60 -7.299 -0.060 -2.102 1.00 1.21 C ATOM 816 CZ TYR A 60 -8.107 -1.102 -1.625 1.00 0.29 C ATOM 817 OH TYR A 60 -9.162 -1.560 -2.385 1.00 0.35 O ATOM 0 H TYR A 60 -5.655 2.873 2.033 1.00 0.21 H new ATOM 0 HA TYR A 60 -5.852 -0.016 2.605 1.00 0.22 H new ATOM 0 HB2 TYR A 60 -4.323 1.172 0.227 1.00 0.22 H new ATOM 0 HB3 TYR A 60 -4.048 -0.451 0.827 1.00 0.22 H new ATOM 0 HD1 TYR A 60 -6.560 -1.655 1.360 1.00 1.17 H new ATOM 0 HD2 TYR A 60 -5.610 1.209 -1.700 1.00 1.21 H new ATOM 0 HE1 TYR A 60 -8.463 -2.478 -0.005 1.00 1.19 H new ATOM 0 HE2 TYR A 60 -7.502 0.383 -3.066 1.00 1.21 H new ATOM 0 HH TYR A 60 -9.870 -1.893 -1.795 1.00 0.35 H new ATOM 827 N TYR A 61 -3.346 0.022 3.364 1.00 0.21 N ATOM 828 CA TYR A 61 -2.087 0.144 4.152 1.00 0.22 C ATOM 829 C TYR A 61 -1.228 -1.056 3.765 1.00 0.19 C ATOM 830 O TYR A 61 -1.667 -2.181 3.857 1.00 0.21 O ATOM 831 CB TYR A 61 -2.384 0.094 5.656 1.00 0.27 C ATOM 832 CG TYR A 61 -3.068 1.368 6.092 1.00 0.28 C ATOM 833 CD1 TYR A 61 -2.676 2.599 5.549 1.00 1.29 C ATOM 834 CD2 TYR A 61 -4.093 1.319 7.048 1.00 1.22 C ATOM 835 CE1 TYR A 61 -3.308 3.779 5.960 1.00 1.34 C ATOM 836 CE2 TYR A 61 -4.725 2.500 7.459 1.00 1.25 C ATOM 837 CZ TYR A 61 -4.333 3.730 6.914 1.00 0.53 C ATOM 838 OH TYR A 61 -4.955 4.894 7.318 1.00 0.70 O ATOM 0 H TYR A 61 -3.625 -0.939 3.168 1.00 0.21 H new ATOM 0 HA TYR A 61 -1.588 1.090 3.944 1.00 0.22 H new ATOM 0 HB2 TYR A 61 -3.018 -0.764 5.881 1.00 0.27 H new ATOM 0 HB3 TYR A 61 -1.457 -0.040 6.214 1.00 0.27 H new ATOM 0 HD1 TYR A 61 -1.886 2.638 4.813 1.00 1.29 H new ATOM 0 HD2 TYR A 61 -4.395 0.371 7.467 1.00 1.22 H new ATOM 0 HE1 TYR A 61 -3.005 4.727 5.541 1.00 1.34 H new ATOM 0 HE2 TYR A 61 -5.514 2.462 8.196 1.00 1.25 H new ATOM 0 HH TYR A 61 -4.279 5.549 7.590 1.00 0.70 H new ATOM 848 N ILE A 62 -0.034 -0.853 3.287 1.00 0.18 N ATOM 849 CA ILE A 62 0.772 -2.033 2.869 1.00 0.18 C ATOM 850 C ILE A 62 2.250 -1.840 3.203 1.00 0.19 C ATOM 851 O ILE A 62 2.844 -0.824 2.902 1.00 0.24 O ATOM 852 CB ILE A 62 0.617 -2.230 1.360 1.00 0.18 C ATOM 853 CG1 ILE A 62 -0.868 -2.353 1.007 1.00 0.23 C ATOM 854 CG2 ILE A 62 1.347 -3.502 0.929 1.00 0.19 C ATOM 855 CD1 ILE A 62 -1.051 -2.184 -0.502 1.00 0.18 C ATOM 0 H ILE A 62 0.412 0.057 3.169 1.00 0.18 H new ATOM 0 HA ILE A 62 0.412 -2.909 3.409 1.00 0.18 H new ATOM 0 HB ILE A 62 1.045 -1.372 0.841 1.00 0.18 H new ATOM 0 HG12 ILE A 62 -1.248 -3.324 1.323 1.00 0.23 H new ATOM 0 HG13 ILE A 62 -1.443 -1.596 1.541 1.00 0.23 H new ATOM 0 HG21 ILE A 62 1.235 -3.639 -0.146 1.00 0.19 H new ATOM 0 HG22 ILE A 62 2.405 -3.415 1.175 1.00 0.19 H new ATOM 0 HG23 ILE A 62 0.922 -4.360 1.451 1.00 0.19 H new ATOM 0 HD11 ILE A 62 -2.108 -2.272 -0.752 1.00 0.18 H new ATOM 0 HD12 ILE A 62 -0.687 -1.202 -0.805 1.00 0.18 H new ATOM 0 HD13 ILE A 62 -0.489 -2.957 -1.026 1.00 0.18 H new ATOM 867 N LYS A 63 2.851 -2.831 3.802 1.00 0.20 N ATOM 868 CA LYS A 63 4.298 -2.745 4.138 1.00 0.20 C ATOM 869 C LYS A 63 5.069 -3.586 3.118 1.00 0.18 C ATOM 870 O LYS A 63 5.521 -4.676 3.409 1.00 0.23 O ATOM 871 CB LYS A 63 4.527 -3.298 5.549 1.00 0.25 C ATOM 872 CG LYS A 63 6.019 -3.548 5.767 1.00 1.13 C ATOM 873 CD LYS A 63 6.358 -3.341 7.245 1.00 1.63 C ATOM 874 CE LYS A 63 5.541 -4.312 8.098 1.00 2.17 C ATOM 875 NZ LYS A 63 6.435 -5.377 8.634 1.00 2.80 N ATOM 0 H LYS A 63 2.397 -3.703 4.075 1.00 0.20 H new ATOM 0 HA LYS A 63 4.639 -1.710 4.108 1.00 0.20 H new ATOM 0 HB2 LYS A 63 4.154 -2.593 6.292 1.00 0.25 H new ATOM 0 HB3 LYS A 63 3.970 -4.225 5.682 1.00 0.25 H new ATOM 0 HG2 LYS A 63 6.278 -4.562 5.462 1.00 1.13 H new ATOM 0 HG3 LYS A 63 6.607 -2.869 5.149 1.00 1.13 H new ATOM 0 HD2 LYS A 63 7.423 -3.503 7.411 1.00 1.63 H new ATOM 0 HD3 LYS A 63 6.142 -2.313 7.538 1.00 1.63 H new ATOM 0 HE2 LYS A 63 5.062 -3.778 8.918 1.00 2.17 H new ATOM 0 HE3 LYS A 63 4.746 -4.757 7.500 1.00 2.17 H new ATOM 0 HZ1 LYS A 63 5.882 -6.241 8.804 1.00 2.80 H new ATOM 0 HZ2 LYS A 63 7.188 -5.578 7.945 1.00 2.80 H new ATOM 0 HZ3 LYS A 63 6.860 -5.056 9.527 1.00 2.80 H new ATOM 889 N VAL A 64 5.192 -3.098 1.912 1.00 0.18 N ATOM 890 CA VAL A 64 5.901 -3.876 0.855 1.00 0.18 C ATOM 891 C VAL A 64 7.413 -3.690 0.967 1.00 0.19 C ATOM 892 O VAL A 64 7.900 -2.649 1.361 1.00 0.22 O ATOM 893 CB VAL A 64 5.443 -3.395 -0.523 1.00 0.18 C ATOM 894 CG1 VAL A 64 4.051 -3.950 -0.819 1.00 0.86 C ATOM 895 CG2 VAL A 64 5.396 -1.865 -0.542 1.00 0.97 C ATOM 0 H VAL A 64 4.831 -2.192 1.613 1.00 0.18 H new ATOM 0 HA VAL A 64 5.664 -4.932 0.986 1.00 0.18 H new ATOM 0 HB VAL A 64 6.144 -3.746 -1.281 1.00 0.18 H new ATOM 0 HG11 VAL A 64 3.724 -3.608 -1.801 1.00 0.86 H new ATOM 0 HG12 VAL A 64 4.084 -5.039 -0.807 1.00 0.86 H new ATOM 0 HG13 VAL A 64 3.351 -3.600 -0.061 1.00 0.86 H new ATOM 0 HG21 VAL A 64 5.070 -1.523 -1.524 1.00 0.97 H new ATOM 0 HG22 VAL A 64 4.696 -1.513 0.216 1.00 0.97 H new ATOM 0 HG23 VAL A 64 6.389 -1.468 -0.331 1.00 0.97 H new ATOM 905 N ARG A 65 8.157 -4.698 0.602 1.00 0.18 N ATOM 906 CA ARG A 65 9.640 -4.601 0.660 1.00 0.20 C ATOM 907 C ARG A 65 10.131 -3.868 -0.589 1.00 0.20 C ATOM 908 O ARG A 65 9.679 -4.129 -1.685 1.00 0.22 O ATOM 909 CB ARG A 65 10.249 -6.006 0.699 1.00 0.23 C ATOM 910 CG ARG A 65 9.263 -6.980 1.349 1.00 0.98 C ATOM 911 CD ARG A 65 10.036 -8.063 2.101 1.00 0.99 C ATOM 912 NE ARG A 65 10.340 -9.190 1.176 1.00 1.45 N ATOM 913 CZ ARG A 65 11.139 -10.147 1.558 1.00 1.80 C ATOM 914 NH1 ARG A 65 10.849 -10.856 2.615 1.00 2.51 N ATOM 915 NH2 ARG A 65 12.229 -10.397 0.885 1.00 2.20 N ATOM 0 H ARG A 65 7.797 -5.590 0.264 1.00 0.18 H new ATOM 0 HA ARG A 65 9.941 -4.058 1.556 1.00 0.20 H new ATOM 0 HB2 ARG A 65 10.488 -6.337 -0.312 1.00 0.23 H new ATOM 0 HB3 ARG A 65 11.184 -5.992 1.260 1.00 0.23 H new ATOM 0 HG2 ARG A 65 8.606 -6.445 2.035 1.00 0.98 H new ATOM 0 HG3 ARG A 65 8.628 -7.434 0.588 1.00 0.98 H new ATOM 0 HD2 ARG A 65 10.961 -7.651 2.505 1.00 0.99 H new ATOM 0 HD3 ARG A 65 9.450 -8.421 2.948 1.00 0.99 H new ATOM 0 HE ARG A 65 9.924 -9.213 0.245 1.00 1.45 H new ATOM 0 HH11 ARG A 65 9.998 -10.661 3.142 1.00 2.51 H new ATOM 0 HH12 ARG A 65 11.474 -11.605 2.914 1.00 2.51 H new ATOM 0 HH21 ARG A 65 12.457 -9.843 0.059 1.00 2.20 H new ATOM 0 HH22 ARG A 65 12.853 -11.146 1.185 1.00 2.20 H new ATOM 929 N ALA A 66 11.042 -2.947 -0.438 1.00 0.24 N ATOM 930 CA ALA A 66 11.543 -2.199 -1.626 1.00 0.27 C ATOM 931 C ALA A 66 12.638 -3.007 -2.328 1.00 0.32 C ATOM 932 O ALA A 66 13.792 -2.627 -2.342 1.00 0.41 O ATOM 933 CB ALA A 66 12.112 -0.850 -1.179 1.00 0.33 C ATOM 0 H ALA A 66 11.460 -2.680 0.453 1.00 0.24 H new ATOM 0 HA ALA A 66 10.718 -2.036 -2.319 1.00 0.27 H new ATOM 0 HB1 ALA A 66 12.478 -0.304 -2.048 1.00 0.33 H new ATOM 0 HB2 ALA A 66 11.330 -0.270 -0.689 1.00 0.33 H new ATOM 0 HB3 ALA A 66 12.933 -1.015 -0.482 1.00 0.33 H new ATOM 939 N GLY A 67 12.283 -4.116 -2.920 1.00 0.32 N ATOM 940 CA GLY A 67 13.297 -4.946 -3.633 1.00 0.43 C ATOM 941 C GLY A 67 14.289 -5.539 -2.630 1.00 0.42 C ATOM 942 O GLY A 67 14.137 -6.657 -2.179 1.00 0.63 O ATOM 0 H GLY A 67 11.332 -4.484 -2.941 1.00 0.32 H new ATOM 0 HA2 GLY A 67 12.802 -5.746 -4.183 1.00 0.43 H new ATOM 0 HA3 GLY A 67 13.828 -4.337 -4.365 1.00 0.43 H new ATOM 946 N ASP A 68 15.310 -4.803 -2.288 1.00 0.54 N ATOM 947 CA ASP A 68 16.320 -5.328 -1.326 1.00 0.74 C ATOM 948 C ASP A 68 15.700 -5.458 0.067 1.00 0.78 C ATOM 949 O ASP A 68 14.496 -5.425 0.231 1.00 1.56 O ATOM 950 CB ASP A 68 17.511 -4.372 -1.268 1.00 1.02 C ATOM 951 CG ASP A 68 17.947 -4.011 -2.689 1.00 1.80 C ATOM 952 OD1 ASP A 68 17.319 -4.490 -3.619 1.00 2.54 O ATOM 953 OD2 ASP A 68 18.902 -3.263 -2.823 1.00 2.47 O ATOM 0 H ASP A 68 15.489 -3.860 -2.633 1.00 0.54 H new ATOM 0 HA ASP A 68 16.654 -6.311 -1.659 1.00 0.74 H new ATOM 0 HB2 ASP A 68 17.240 -3.470 -0.719 1.00 1.02 H new ATOM 0 HB3 ASP A 68 18.337 -4.836 -0.730 1.00 1.02 H new ATOM 958 N ASN A 92 16.520 -5.613 1.071 1.00 0.74 N ATOM 959 CA ASN A 92 15.995 -5.756 2.459 1.00 0.62 C ATOM 960 C ASN A 92 15.198 -4.509 2.850 1.00 0.51 C ATOM 961 O ASN A 92 14.416 -4.533 3.778 1.00 0.66 O ATOM 962 CB ASN A 92 17.168 -5.932 3.426 1.00 0.77 C ATOM 963 CG ASN A 92 17.538 -7.413 3.516 1.00 1.51 C ATOM 964 OD1 ASN A 92 17.324 -8.162 2.583 1.00 2.23 O ATOM 965 ND2 ASN A 92 18.088 -7.870 4.607 1.00 2.29 N ATOM 0 H ASN A 92 17.536 -5.647 0.989 1.00 0.74 H new ATOM 0 HA ASN A 92 15.341 -6.626 2.507 1.00 0.62 H new ATOM 0 HB2 ASN A 92 18.025 -5.352 3.084 1.00 0.77 H new ATOM 0 HB3 ASN A 92 16.900 -5.553 4.412 1.00 0.77 H new ATOM 0 HD21 ASN A 92 18.339 -8.856 4.677 1.00 2.29 H new ATOM 0 HD22 ASN A 92 18.267 -7.241 5.390 1.00 2.29 H new ATOM 972 N LYS A 93 15.390 -3.421 2.157 1.00 0.56 N ATOM 973 CA LYS A 93 14.640 -2.177 2.501 1.00 0.52 C ATOM 974 C LYS A 93 13.136 -2.449 2.427 1.00 0.41 C ATOM 975 O LYS A 93 12.703 -3.459 1.909 1.00 0.69 O ATOM 976 CB LYS A 93 15.004 -1.072 1.506 1.00 0.73 C ATOM 977 CG LYS A 93 16.058 -0.148 2.121 1.00 1.08 C ATOM 978 CD LYS A 93 16.604 0.789 1.042 1.00 1.45 C ATOM 979 CE LYS A 93 17.957 1.349 1.485 1.00 1.85 C ATOM 980 NZ LYS A 93 17.981 2.823 1.264 1.00 2.27 N ATOM 0 H LYS A 93 16.032 -3.338 1.369 1.00 0.56 H new ATOM 0 HA LYS A 93 14.904 -1.862 3.511 1.00 0.52 H new ATOM 0 HB2 LYS A 93 15.385 -1.511 0.584 1.00 0.73 H new ATOM 0 HB3 LYS A 93 14.115 -0.500 1.242 1.00 0.73 H new ATOM 0 HG2 LYS A 93 15.620 0.431 2.934 1.00 1.08 H new ATOM 0 HG3 LYS A 93 16.868 -0.737 2.550 1.00 1.08 H new ATOM 0 HD2 LYS A 93 16.712 0.251 0.100 1.00 1.45 H new ATOM 0 HD3 LYS A 93 15.902 1.604 0.865 1.00 1.45 H new ATOM 0 HE2 LYS A 93 18.128 1.126 2.538 1.00 1.85 H new ATOM 0 HE3 LYS A 93 18.761 0.873 0.924 1.00 1.85 H new ATOM 0 HZ1 LYS A 93 18.901 3.204 1.565 1.00 2.27 H new ATOM 0 HZ2 LYS A 93 17.836 3.025 0.254 1.00 2.27 H new ATOM 0 HZ3 LYS A 93 17.223 3.270 1.818 1.00 2.27 H new ATOM 994 N TYR A 94 12.335 -1.552 2.939 1.00 0.32 N ATOM 995 CA TYR A 94 10.859 -1.752 2.892 1.00 0.21 C ATOM 996 C TYR A 94 10.186 -0.442 2.478 1.00 0.24 C ATOM 997 O TYR A 94 10.837 0.489 2.047 1.00 0.34 O ATOM 998 CB TYR A 94 10.349 -2.181 4.271 1.00 0.33 C ATOM 999 CG TYR A 94 10.376 -3.687 4.375 1.00 0.29 C ATOM 1000 CD1 TYR A 94 11.601 -4.366 4.361 1.00 1.10 C ATOM 1001 CD2 TYR A 94 9.178 -4.406 4.486 1.00 1.16 C ATOM 1002 CE1 TYR A 94 11.630 -5.763 4.458 1.00 1.11 C ATOM 1003 CE2 TYR A 94 9.207 -5.805 4.583 1.00 1.26 C ATOM 1004 CZ TYR A 94 10.433 -6.483 4.569 1.00 0.59 C ATOM 1005 OH TYR A 94 10.462 -7.859 4.666 1.00 0.80 O ATOM 0 H TYR A 94 12.641 -0.689 3.388 1.00 0.32 H new ATOM 0 HA TYR A 94 10.621 -2.531 2.167 1.00 0.21 H new ATOM 0 HB2 TYR A 94 10.969 -1.741 5.052 1.00 0.33 H new ATOM 0 HB3 TYR A 94 9.334 -1.814 4.425 1.00 0.33 H new ATOM 0 HD1 TYR A 94 12.524 -3.812 4.275 1.00 1.10 H new ATOM 0 HD2 TYR A 94 8.233 -3.883 4.497 1.00 1.16 H new ATOM 0 HE1 TYR A 94 12.575 -6.285 4.447 1.00 1.11 H new ATOM 0 HE2 TYR A 94 8.284 -6.360 4.668 1.00 1.26 H new ATOM 0 HH TYR A 94 9.693 -8.166 5.191 1.00 0.80 H new ATOM 1015 N MET A 95 8.889 -0.358 2.600 1.00 0.24 N ATOM 1016 CA MET A 95 8.190 0.897 2.204 1.00 0.33 C ATOM 1017 C MET A 95 6.683 0.747 2.423 1.00 0.25 C ATOM 1018 O MET A 95 5.990 0.141 1.632 1.00 0.23 O ATOM 1019 CB MET A 95 8.459 1.178 0.725 1.00 0.49 C ATOM 1020 CG MET A 95 8.429 2.687 0.477 1.00 0.81 C ATOM 1021 SD MET A 95 8.598 3.008 -1.296 1.00 1.47 S ATOM 1022 CE MET A 95 7.187 2.017 -1.843 1.00 1.47 C ATOM 0 H MET A 95 8.286 -1.100 2.955 1.00 0.24 H new ATOM 0 HA MET A 95 8.561 1.722 2.813 1.00 0.33 H new ATOM 0 HB2 MET A 95 9.428 0.771 0.437 1.00 0.49 H new ATOM 0 HB3 MET A 95 7.709 0.683 0.108 1.00 0.49 H new ATOM 0 HG2 MET A 95 7.494 3.109 0.847 1.00 0.81 H new ATOM 0 HG3 MET A 95 9.237 3.173 1.024 1.00 0.81 H new ATOM 0 HE1 MET A 95 6.926 2.289 -2.866 1.00 1.47 H new ATOM 0 HE2 MET A 95 7.448 0.960 -1.805 1.00 1.47 H new ATOM 0 HE3 MET A 95 6.335 2.204 -1.189 1.00 1.47 H new ATOM 1032 N HIS A 96 6.166 1.305 3.486 1.00 0.24 N ATOM 1033 CA HIS A 96 4.701 1.200 3.740 1.00 0.20 C ATOM 1034 C HIS A 96 3.949 1.743 2.524 1.00 0.20 C ATOM 1035 O HIS A 96 4.545 2.122 1.536 1.00 0.24 O ATOM 1036 CB HIS A 96 4.336 2.029 4.975 1.00 0.25 C ATOM 1037 CG HIS A 96 4.457 1.178 6.208 1.00 0.21 C ATOM 1038 ND1 HIS A 96 4.815 1.705 7.439 1.00 0.23 N ATOM 1039 CD2 HIS A 96 4.269 -0.164 6.415 1.00 0.19 C ATOM 1040 CE1 HIS A 96 4.831 0.692 8.325 1.00 0.24 C ATOM 1041 NE2 HIS A 96 4.506 -0.471 7.753 1.00 0.22 N ATOM 0 H HIS A 96 6.693 1.827 4.186 1.00 0.24 H new ATOM 0 HA HIS A 96 4.429 0.159 3.911 1.00 0.20 H new ATOM 0 HB2 HIS A 96 4.994 2.894 5.052 1.00 0.25 H new ATOM 0 HB3 HIS A 96 3.319 2.410 4.882 1.00 0.25 H new ATOM 0 HD2 HIS A 96 3.981 -0.876 5.656 1.00 0.19 H new ATOM 0 HE1 HIS A 96 5.077 0.805 9.371 1.00 0.24 H new ATOM 0 HE2 HIS A 96 4.445 -1.386 8.200 1.00 0.22 H new ATOM 1049 N LEU A 97 2.645 1.791 2.580 1.00 0.24 N ATOM 1050 CA LEU A 97 1.881 2.320 1.415 1.00 0.27 C ATOM 1051 C LEU A 97 0.451 2.669 1.832 1.00 0.25 C ATOM 1052 O LEU A 97 -0.084 2.134 2.783 1.00 0.43 O ATOM 1053 CB LEU A 97 1.843 1.270 0.303 1.00 0.38 C ATOM 1054 CG LEU A 97 1.522 1.955 -1.027 1.00 0.69 C ATOM 1055 CD1 LEU A 97 2.732 2.769 -1.487 1.00 0.76 C ATOM 1056 CD2 LEU A 97 1.188 0.898 -2.080 1.00 1.45 C ATOM 0 H LEU A 97 2.081 1.490 3.374 1.00 0.24 H new ATOM 0 HA LEU A 97 2.376 3.221 1.052 1.00 0.27 H new ATOM 0 HB2 LEU A 97 2.802 0.757 0.239 1.00 0.38 H new ATOM 0 HB3 LEU A 97 1.091 0.513 0.527 1.00 0.38 H new ATOM 0 HG LEU A 97 0.667 2.618 -0.896 1.00 0.69 H new ATOM 0 HD11 LEU A 97 2.503 3.257 -2.434 1.00 0.76 H new ATOM 0 HD12 LEU A 97 2.969 3.524 -0.738 1.00 0.76 H new ATOM 0 HD13 LEU A 97 3.588 2.107 -1.617 1.00 0.76 H new ATOM 0 HD21 LEU A 97 0.960 1.387 -3.027 1.00 1.45 H new ATOM 0 HD22 LEU A 97 2.042 0.233 -2.212 1.00 1.45 H new ATOM 0 HD23 LEU A 97 0.324 0.319 -1.753 1.00 1.45 H new ATOM 1068 N LYS A 98 -0.168 3.565 1.113 1.00 0.25 N ATOM 1069 CA LYS A 98 -1.566 3.967 1.437 1.00 0.25 C ATOM 1070 C LYS A 98 -2.301 4.270 0.130 1.00 0.24 C ATOM 1071 O LYS A 98 -1.889 5.114 -0.640 1.00 0.40 O ATOM 1072 CB LYS A 98 -1.548 5.217 2.320 1.00 0.36 C ATOM 1073 CG LYS A 98 -2.962 5.504 2.828 1.00 0.75 C ATOM 1074 CD LYS A 98 -3.012 6.904 3.447 1.00 0.86 C ATOM 1075 CE LYS A 98 -4.287 7.046 4.283 1.00 1.43 C ATOM 1076 NZ LYS A 98 -4.574 8.491 4.515 1.00 2.06 N ATOM 0 H LYS A 98 0.239 4.040 0.307 1.00 0.25 H new ATOM 0 HA LYS A 98 -2.073 3.163 1.971 1.00 0.25 H new ATOM 0 HB2 LYS A 98 -0.871 5.071 3.161 1.00 0.36 H new ATOM 0 HB3 LYS A 98 -1.174 6.070 1.754 1.00 0.36 H new ATOM 0 HG2 LYS A 98 -3.676 5.433 2.007 1.00 0.75 H new ATOM 0 HG3 LYS A 98 -3.252 4.758 3.568 1.00 0.75 H new ATOM 0 HD2 LYS A 98 -2.134 7.069 4.072 1.00 0.86 H new ATOM 0 HD3 LYS A 98 -2.992 7.661 2.663 1.00 0.86 H new ATOM 0 HE2 LYS A 98 -5.125 6.576 3.769 1.00 1.43 H new ATOM 0 HE3 LYS A 98 -4.168 6.531 5.236 1.00 1.43 H new ATOM 0 HZ1 LYS A 98 -5.440 8.586 5.083 1.00 2.06 H new ATOM 0 HZ2 LYS A 98 -3.777 8.926 5.023 1.00 2.06 H new ATOM 0 HZ3 LYS A 98 -4.705 8.970 3.601 1.00 2.06 H new ATOM 1090 N VAL A 99 -3.374 3.578 -0.137 1.00 0.21 N ATOM 1091 CA VAL A 99 -4.114 3.823 -1.407 1.00 0.20 C ATOM 1092 C VAL A 99 -5.620 3.921 -1.128 1.00 0.23 C ATOM 1093 O VAL A 99 -6.118 3.412 -0.144 1.00 0.25 O ATOM 1094 CB VAL A 99 -3.831 2.667 -2.374 1.00 0.19 C ATOM 1095 CG1 VAL A 99 -4.893 2.630 -3.476 1.00 0.21 C ATOM 1096 CG2 VAL A 99 -2.450 2.864 -3.005 1.00 0.19 C ATOM 0 H VAL A 99 -3.769 2.857 0.466 1.00 0.21 H new ATOM 0 HA VAL A 99 -3.784 4.762 -1.851 1.00 0.20 H new ATOM 0 HB VAL A 99 -3.857 1.726 -1.824 1.00 0.19 H new ATOM 0 HG11 VAL A 99 -4.682 1.805 -4.157 1.00 0.21 H new ATOM 0 HG12 VAL A 99 -5.877 2.489 -3.029 1.00 0.21 H new ATOM 0 HG13 VAL A 99 -4.877 3.570 -4.028 1.00 0.21 H new ATOM 0 HG21 VAL A 99 -2.244 2.044 -3.693 1.00 0.19 H new ATOM 0 HG22 VAL A 99 -2.430 3.808 -3.549 1.00 0.19 H new ATOM 0 HG23 VAL A 99 -1.691 2.880 -2.223 1.00 0.19 H new ATOM 1106 N PHE A 100 -6.343 4.575 -1.999 1.00 0.25 N ATOM 1107 CA PHE A 100 -7.816 4.718 -1.806 1.00 0.30 C ATOM 1108 C PHE A 100 -8.540 3.969 -2.931 1.00 0.33 C ATOM 1109 O PHE A 100 -8.165 4.062 -4.081 1.00 0.35 O ATOM 1110 CB PHE A 100 -8.180 6.207 -1.860 1.00 0.34 C ATOM 1111 CG PHE A 100 -9.579 6.441 -1.324 1.00 0.30 C ATOM 1112 CD1 PHE A 100 -10.262 5.432 -0.623 1.00 1.18 C ATOM 1113 CD2 PHE A 100 -10.196 7.684 -1.529 1.00 1.21 C ATOM 1114 CE1 PHE A 100 -11.553 5.668 -0.136 1.00 1.21 C ATOM 1115 CE2 PHE A 100 -11.488 7.918 -1.040 1.00 1.23 C ATOM 1116 CZ PHE A 100 -12.166 6.910 -0.343 1.00 0.47 C ATOM 0 H PHE A 100 -5.974 5.019 -2.840 1.00 0.25 H new ATOM 0 HA PHE A 100 -8.114 4.304 -0.843 1.00 0.30 H new ATOM 0 HB2 PHE A 100 -7.462 6.783 -1.276 1.00 0.34 H new ATOM 0 HB3 PHE A 100 -8.115 6.564 -2.888 1.00 0.34 H new ATOM 0 HD1 PHE A 100 -9.790 4.474 -0.460 1.00 1.18 H new ATOM 0 HD2 PHE A 100 -9.674 8.463 -2.065 1.00 1.21 H new ATOM 0 HE1 PHE A 100 -12.077 4.891 0.400 1.00 1.21 H new ATOM 0 HE2 PHE A 100 -11.961 8.876 -1.201 1.00 1.23 H new ATOM 0 HZ PHE A 100 -13.162 7.091 0.035 1.00 0.47 H new ATOM 1126 N LYS A 101 -9.565 3.219 -2.619 1.00 0.40 N ATOM 1127 CA LYS A 101 -10.278 2.472 -3.695 1.00 0.45 C ATOM 1128 C LYS A 101 -11.721 2.952 -3.823 1.00 0.46 C ATOM 1129 O LYS A 101 -12.475 2.963 -2.868 1.00 0.94 O ATOM 1130 CB LYS A 101 -10.285 0.980 -3.370 1.00 0.59 C ATOM 1131 CG LYS A 101 -10.858 0.210 -4.560 1.00 1.07 C ATOM 1132 CD LYS A 101 -12.016 -0.673 -4.094 1.00 1.28 C ATOM 1133 CE LYS A 101 -12.177 -1.847 -5.058 1.00 1.71 C ATOM 1134 NZ LYS A 101 -13.546 -2.417 -4.922 1.00 2.02 N ATOM 0 H LYS A 101 -9.935 3.093 -1.677 1.00 0.40 H new ATOM 0 HA LYS A 101 -9.756 2.651 -4.635 1.00 0.45 H new ATOM 0 HB2 LYS A 101 -9.273 0.638 -3.153 1.00 0.59 H new ATOM 0 HB3 LYS A 101 -10.883 0.793 -2.478 1.00 0.59 H new ATOM 0 HG2 LYS A 101 -11.204 0.907 -5.324 1.00 1.07 H new ATOM 0 HG3 LYS A 101 -10.081 -0.403 -5.016 1.00 1.07 H new ATOM 0 HD2 LYS A 101 -11.826 -1.040 -3.085 1.00 1.28 H new ATOM 0 HD3 LYS A 101 -12.937 -0.092 -4.053 1.00 1.28 H new ATOM 0 HE2 LYS A 101 -12.010 -1.515 -6.083 1.00 1.71 H new ATOM 0 HE3 LYS A 101 -11.430 -2.612 -4.844 1.00 1.71 H new ATOM 0 HZ1 LYS A 101 -13.656 -3.216 -5.578 1.00 2.02 H new ATOM 0 HZ2 LYS A 101 -13.689 -2.748 -3.946 1.00 2.02 H new ATOM 0 HZ3 LYS A 101 -14.250 -1.686 -5.146 1.00 2.02 H new ATOM 1148 N SER A 102 -12.118 3.320 -5.008 1.00 0.51 N ATOM 1149 CA SER A 102 -13.518 3.768 -5.222 1.00 0.65 C ATOM 1150 C SER A 102 -14.392 2.528 -5.404 1.00 0.88 C ATOM 1151 O SER A 102 -14.153 1.714 -6.274 1.00 1.46 O ATOM 1152 CB SER A 102 -13.593 4.634 -6.482 1.00 1.27 C ATOM 1153 OG SER A 102 -12.992 5.896 -6.224 1.00 2.04 O ATOM 0 H SER A 102 -11.529 3.329 -5.841 1.00 0.51 H new ATOM 0 HA SER A 102 -13.862 4.353 -4.369 1.00 0.65 H new ATOM 0 HB2 SER A 102 -13.083 4.138 -7.308 1.00 1.27 H new ATOM 0 HB3 SER A 102 -14.632 4.768 -6.783 1.00 1.27 H new ATOM 0 HG SER A 102 -13.038 6.451 -7.030 1.00 2.04 H new ATOM 1159 N LEU A 102A -15.403 2.367 -4.599 1.00 1.25 N ATOM 1160 CA LEU A 102A -16.273 1.168 -4.756 1.00 1.80 C ATOM 1161 C LEU A 102A -17.009 1.276 -6.092 1.00 2.30 C ATOM 1162 O LEU A 102A -16.987 0.353 -6.882 1.00 2.74 O ATOM 1163 CB LEU A 102A -17.277 1.065 -3.596 1.00 2.03 C ATOM 1164 CG LEU A 102A -16.709 1.760 -2.353 1.00 1.75 C ATOM 1165 CD1 LEU A 102A -17.393 3.115 -2.162 1.00 1.97 C ATOM 1166 CD2 LEU A 102A -16.954 0.889 -1.123 1.00 2.07 C ATOM 0 H LEU A 102A -15.664 3.005 -3.847 1.00 1.25 H new ATOM 0 HA LEU A 102A -15.660 0.267 -4.741 1.00 1.80 H new ATOM 0 HB2 LEU A 102A -18.223 1.525 -3.880 1.00 2.03 H new ATOM 0 HB3 LEU A 102A -17.485 0.018 -3.375 1.00 2.03 H new ATOM 0 HG LEU A 102A -15.638 1.911 -2.484 1.00 1.75 H new ATOM 0 HD11 LEU A 102A -16.987 3.606 -1.278 1.00 1.97 H new ATOM 0 HD12 LEU A 102A -17.215 3.739 -3.038 1.00 1.97 H new ATOM 0 HD13 LEU A 102A -18.465 2.967 -2.034 1.00 1.97 H new ATOM 0 HD21 LEU A 102A -16.550 1.384 -0.240 1.00 2.07 H new ATOM 0 HD22 LEU A 102A -18.025 0.735 -0.994 1.00 2.07 H new ATOM 0 HD23 LEU A 102A -16.462 -0.075 -1.256 1.00 2.07 H new ATOM 1178 N PRO A 103 -17.624 2.413 -6.320 1.00 2.82 N ATOM 1179 CA PRO A 103 -18.356 2.677 -7.571 1.00 3.55 C ATOM 1180 C PRO A 103 -17.380 3.113 -8.671 1.00 3.62 C ATOM 1181 O PRO A 103 -16.210 3.327 -8.423 1.00 3.62 O ATOM 1182 CB PRO A 103 -19.289 3.833 -7.199 1.00 4.49 C ATOM 1183 CG PRO A 103 -18.655 4.536 -5.973 1.00 4.44 C ATOM 1184 CD PRO A 103 -17.658 3.537 -5.356 1.00 3.30 C ATOM 0 HA PRO A 103 -18.887 1.805 -7.951 1.00 3.55 H new ATOM 0 HB2 PRO A 103 -19.396 4.528 -8.032 1.00 4.49 H new ATOM 0 HB3 PRO A 103 -20.287 3.464 -6.961 1.00 4.49 H new ATOM 0 HG2 PRO A 103 -18.148 5.453 -6.272 1.00 4.44 H new ATOM 0 HG3 PRO A 103 -19.420 4.816 -5.249 1.00 4.44 H new ATOM 0 HD2 PRO A 103 -16.672 3.984 -5.231 1.00 3.30 H new ATOM 0 HD3 PRO A 103 -17.985 3.206 -4.370 1.00 3.30 H new ATOM 1192 N GLY A 104 -17.852 3.264 -9.880 1.00 4.21 N ATOM 1193 CA GLY A 104 -16.946 3.709 -10.978 1.00 4.69 C ATOM 1194 C GLY A 104 -16.536 2.524 -11.853 1.00 4.81 C ATOM 1195 O GLY A 104 -16.570 1.383 -11.436 1.00 5.28 O ATOM 0 H GLY A 104 -18.821 3.099 -10.154 1.00 4.21 H new ATOM 0 HA2 GLY A 104 -17.447 4.461 -11.587 1.00 4.69 H new ATOM 0 HA3 GLY A 104 -16.058 4.180 -10.556 1.00 4.69 H new ATOM 1199 N GLN A 105 -16.140 2.795 -13.065 1.00 4.71 N ATOM 1200 CA GLN A 105 -15.714 1.704 -13.983 1.00 5.02 C ATOM 1201 C GLN A 105 -14.214 1.449 -13.796 1.00 4.67 C ATOM 1202 O GLN A 105 -13.727 1.388 -12.684 1.00 4.57 O ATOM 1203 CB GLN A 105 -15.992 2.136 -15.423 1.00 5.60 C ATOM 1204 CG GLN A 105 -17.379 2.770 -15.506 1.00 6.54 C ATOM 1205 CD GLN A 105 -17.233 4.284 -15.673 1.00 7.18 C ATOM 1206 OE1 GLN A 105 -16.485 4.746 -16.512 1.00 7.42 O ATOM 1207 NE2 GLN A 105 -17.915 5.082 -14.898 1.00 7.74 N ATOM 0 H GLN A 105 -16.093 3.734 -13.462 1.00 4.71 H new ATOM 0 HA GLN A 105 -16.264 0.789 -13.764 1.00 5.02 H new ATOM 0 HB2 GLN A 105 -15.235 2.847 -15.753 1.00 5.60 H new ATOM 0 HB3 GLN A 105 -15.933 1.276 -16.090 1.00 5.60 H new ATOM 0 HG2 GLN A 105 -17.933 2.352 -16.346 1.00 6.54 H new ATOM 0 HG3 GLN A 105 -17.949 2.545 -14.604 1.00 6.54 H new ATOM 0 HE21 GLN A 105 -18.543 4.695 -14.194 1.00 7.74 H new ATOM 0 HE22 GLN A 105 -17.820 6.093 -14.997 1.00 7.74 H new ATOM 1216 N ASN A 105A -13.478 1.303 -14.866 1.00 4.74 N ATOM 1217 CA ASN A 105A -12.016 1.060 -14.732 1.00 4.59 C ATOM 1218 C ASN A 105A -11.403 2.140 -13.838 1.00 3.66 C ATOM 1219 O ASN A 105A -10.979 3.179 -14.306 1.00 3.27 O ATOM 1220 CB ASN A 105A -11.359 1.109 -16.111 1.00 5.09 C ATOM 1221 CG ASN A 105A -9.902 0.660 -15.992 1.00 5.83 C ATOM 1222 OD1 ASN A 105A -9.405 0.452 -14.903 1.00 6.08 O ATOM 1223 ND2 ASN A 105A -9.192 0.500 -17.075 1.00 6.53 N ATOM 0 H ASN A 105A -13.827 1.342 -15.824 1.00 4.74 H new ATOM 0 HA ASN A 105A -11.851 0.079 -14.288 1.00 4.59 H new ATOM 0 HB2 ASN A 105A -11.895 0.462 -16.805 1.00 5.09 H new ATOM 0 HB3 ASN A 105A -11.408 2.120 -16.514 1.00 5.09 H new ATOM 0 HD21 ASN A 105A -8.219 0.200 -17.008 1.00 6.53 H new ATOM 0 HD22 ASN A 105A -9.610 0.675 -17.989 1.00 6.53 H new ATOM 1230 N GLU A 106 -11.361 1.905 -12.557 1.00 3.70 N ATOM 1231 CA GLU A 106 -10.786 2.914 -11.626 1.00 3.10 C ATOM 1232 C GLU A 106 -9.256 2.839 -11.651 1.00 1.96 C ATOM 1233 O GLU A 106 -8.670 2.038 -12.352 1.00 2.18 O ATOM 1234 CB GLU A 106 -11.298 2.635 -10.204 1.00 4.00 C ATOM 1235 CG GLU A 106 -10.472 1.518 -9.553 1.00 4.95 C ATOM 1236 CD GLU A 106 -10.581 0.234 -10.380 1.00 5.79 C ATOM 1237 OE1 GLU A 106 -9.951 0.167 -11.423 1.00 6.30 O ATOM 1238 OE2 GLU A 106 -11.287 -0.664 -9.953 1.00 6.22 O ATOM 0 H GLU A 106 -11.702 1.053 -12.113 1.00 3.70 H new ATOM 0 HA GLU A 106 -11.093 3.912 -11.938 1.00 3.10 H new ATOM 0 HB2 GLU A 106 -11.235 3.542 -9.602 1.00 4.00 H new ATOM 0 HB3 GLU A 106 -12.349 2.348 -10.238 1.00 4.00 H new ATOM 0 HG2 GLU A 106 -9.428 1.824 -9.477 1.00 4.95 H new ATOM 0 HG3 GLU A 106 -10.826 1.337 -8.538 1.00 4.95 H new ATOM 1245 N ASP A 107 -8.607 3.666 -10.878 1.00 1.44 N ATOM 1246 CA ASP A 107 -7.118 3.648 -10.836 1.00 0.82 C ATOM 1247 C ASP A 107 -6.661 3.946 -9.409 1.00 0.71 C ATOM 1248 O ASP A 107 -6.408 5.081 -9.058 1.00 1.33 O ATOM 1249 CB ASP A 107 -6.566 4.712 -11.784 1.00 1.86 C ATOM 1250 CG ASP A 107 -6.265 4.081 -13.147 1.00 2.39 C ATOM 1251 OD1 ASP A 107 -5.175 3.555 -13.309 1.00 2.76 O ATOM 1252 OD2 ASP A 107 -7.130 4.136 -14.005 1.00 3.07 O ATOM 0 H ASP A 107 -9.047 4.357 -10.270 1.00 1.44 H new ATOM 0 HA ASP A 107 -6.751 2.670 -11.145 1.00 0.82 H new ATOM 0 HB2 ASP A 107 -7.287 5.521 -11.898 1.00 1.86 H new ATOM 0 HB3 ASP A 107 -5.659 5.150 -11.367 1.00 1.86 H new ATOM 1257 N LEU A 108 -6.571 2.933 -8.584 1.00 0.64 N ATOM 1258 CA LEU A 108 -6.147 3.136 -7.164 1.00 0.41 C ATOM 1259 C LEU A 108 -5.117 4.264 -7.067 1.00 0.36 C ATOM 1260 O LEU A 108 -4.066 4.216 -7.673 1.00 0.46 O ATOM 1261 CB LEU A 108 -5.535 1.843 -6.625 1.00 0.36 C ATOM 1262 CG LEU A 108 -6.617 1.036 -5.907 1.00 0.34 C ATOM 1263 CD1 LEU A 108 -7.811 0.838 -6.843 1.00 0.43 C ATOM 1264 CD2 LEU A 108 -6.052 -0.327 -5.506 1.00 0.43 C ATOM 0 H LEU A 108 -6.775 1.966 -8.835 1.00 0.64 H new ATOM 0 HA LEU A 108 -7.022 3.407 -6.573 1.00 0.41 H new ATOM 0 HB2 LEU A 108 -5.111 1.259 -7.442 1.00 0.36 H new ATOM 0 HB3 LEU A 108 -4.719 2.071 -5.939 1.00 0.36 H new ATOM 0 HG LEU A 108 -6.940 1.573 -5.015 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -8.583 0.263 -6.332 1.00 0.43 H new ATOM 0 HD12 LEU A 108 -8.213 1.810 -7.130 1.00 0.43 H new ATOM 0 HD13 LEU A 108 -7.489 0.301 -7.735 1.00 0.43 H new ATOM 0 HD21 LEU A 108 -6.822 -0.904 -4.994 1.00 0.43 H new ATOM 0 HD22 LEU A 108 -5.730 -0.864 -6.398 1.00 0.43 H new ATOM 0 HD23 LEU A 108 -5.201 -0.186 -4.840 1.00 0.43 H new ATOM 1276 N VAL A 109 -5.417 5.281 -6.304 1.00 0.26 N ATOM 1277 CA VAL A 109 -4.468 6.420 -6.158 1.00 0.24 C ATOM 1278 C VAL A 109 -3.530 6.161 -4.978 1.00 0.20 C ATOM 1279 O VAL A 109 -3.814 5.364 -4.107 1.00 0.20 O ATOM 1280 CB VAL A 109 -5.255 7.704 -5.898 1.00 0.25 C ATOM 1281 CG1 VAL A 109 -6.109 7.526 -4.643 1.00 0.26 C ATOM 1282 CG2 VAL A 109 -4.283 8.868 -5.687 1.00 0.28 C ATOM 0 H VAL A 109 -6.283 5.371 -5.773 1.00 0.26 H new ATOM 0 HA VAL A 109 -3.884 6.522 -7.073 1.00 0.24 H new ATOM 0 HB VAL A 109 -5.896 7.917 -6.753 1.00 0.25 H new ATOM 0 HG11 VAL A 109 -6.672 8.440 -4.454 1.00 0.26 H new ATOM 0 HG12 VAL A 109 -6.801 6.697 -4.789 1.00 0.26 H new ATOM 0 HG13 VAL A 109 -5.463 7.315 -3.791 1.00 0.26 H new ATOM 0 HG21 VAL A 109 -4.846 9.783 -5.502 1.00 0.28 H new ATOM 0 HG22 VAL A 109 -3.642 8.656 -4.831 1.00 0.28 H new ATOM 0 HG23 VAL A 109 -3.668 8.994 -6.578 1.00 0.28 H new ATOM 1292 N LEU A 110 -2.419 6.840 -4.940 1.00 0.20 N ATOM 1293 CA LEU A 110 -1.463 6.649 -3.816 1.00 0.19 C ATOM 1294 C LEU A 110 -1.734 7.713 -2.749 1.00 0.19 C ATOM 1295 O LEU A 110 -1.108 8.753 -2.721 1.00 0.21 O ATOM 1296 CB LEU A 110 -0.035 6.794 -4.344 1.00 0.20 C ATOM 1297 CG LEU A 110 0.946 6.805 -3.175 1.00 0.20 C ATOM 1298 CD1 LEU A 110 1.074 5.391 -2.610 1.00 0.25 C ATOM 1299 CD2 LEU A 110 2.313 7.289 -3.666 1.00 0.22 C ATOM 0 H LEU A 110 -2.131 7.522 -5.642 1.00 0.20 H new ATOM 0 HA LEU A 110 -1.586 5.658 -3.380 1.00 0.19 H new ATOM 0 HB2 LEU A 110 0.199 5.971 -5.020 1.00 0.20 H new ATOM 0 HB3 LEU A 110 0.059 7.715 -4.919 1.00 0.20 H new ATOM 0 HG LEU A 110 0.583 7.475 -2.396 1.00 0.20 H new ATOM 0 HD11 LEU A 110 1.774 5.395 -1.775 1.00 0.25 H new ATOM 0 HD12 LEU A 110 0.099 5.048 -2.265 1.00 0.25 H new ATOM 0 HD13 LEU A 110 1.440 4.720 -3.387 1.00 0.25 H new ATOM 0 HD21 LEU A 110 3.016 7.298 -2.833 1.00 0.22 H new ATOM 0 HD22 LEU A 110 2.679 6.618 -4.443 1.00 0.22 H new ATOM 0 HD23 LEU A 110 2.218 8.296 -4.072 1.00 0.22 H new ATOM 1311 N THR A 111 -2.678 7.467 -1.883 1.00 0.21 N ATOM 1312 CA THR A 111 -3.008 8.469 -0.831 1.00 0.23 C ATOM 1313 C THR A 111 -1.757 8.827 -0.022 1.00 0.25 C ATOM 1314 O THR A 111 -1.564 9.966 0.357 1.00 0.34 O ATOM 1315 CB THR A 111 -4.073 7.887 0.101 1.00 0.32 C ATOM 1316 OG1 THR A 111 -3.933 6.475 0.150 1.00 0.45 O ATOM 1317 CG2 THR A 111 -5.465 8.244 -0.425 1.00 0.42 C ATOM 0 H THR A 111 -3.236 6.614 -1.859 1.00 0.21 H new ATOM 0 HA THR A 111 -3.386 9.374 -1.307 1.00 0.23 H new ATOM 0 HB THR A 111 -3.948 8.302 1.101 1.00 0.32 H new ATOM 0 HG1 THR A 111 -4.808 6.065 0.312 1.00 0.45 H new ATOM 0 HG21 THR A 111 -6.223 7.829 0.240 1.00 0.42 H new ATOM 0 HG22 THR A 111 -5.572 9.328 -0.465 1.00 0.42 H new ATOM 0 HG23 THR A 111 -5.593 7.830 -1.425 1.00 0.42 H new ATOM 1325 N GLY A 112 -0.904 7.875 0.254 1.00 0.26 N ATOM 1326 CA GLY A 112 0.321 8.193 1.045 1.00 0.34 C ATOM 1327 C GLY A 112 1.310 7.025 0.988 1.00 0.29 C ATOM 1328 O GLY A 112 1.145 6.092 0.228 1.00 0.26 O ATOM 0 H GLY A 112 -1.001 6.900 -0.031 1.00 0.26 H new ATOM 0 HA2 GLY A 112 0.791 9.095 0.653 1.00 0.34 H new ATOM 0 HA3 GLY A 112 0.050 8.398 2.081 1.00 0.34 H new ATOM 1332 N TYR A 113 2.342 7.077 1.790 1.00 0.33 N ATOM 1333 CA TYR A 113 3.352 5.980 1.790 1.00 0.29 C ATOM 1334 C TYR A 113 4.525 6.369 2.695 1.00 0.28 C ATOM 1335 O TYR A 113 5.000 7.487 2.665 1.00 0.30 O ATOM 1336 CB TYR A 113 3.863 5.766 0.364 1.00 0.31 C ATOM 1337 CG TYR A 113 4.345 7.083 -0.196 1.00 0.35 C ATOM 1338 CD1 TYR A 113 5.605 7.578 0.163 1.00 1.14 C ATOM 1339 CD2 TYR A 113 3.530 7.811 -1.073 1.00 1.16 C ATOM 1340 CE1 TYR A 113 6.051 8.801 -0.356 1.00 1.16 C ATOM 1341 CE2 TYR A 113 3.977 9.034 -1.592 1.00 1.19 C ATOM 1342 CZ TYR A 113 5.237 9.529 -1.233 1.00 0.49 C ATOM 1343 OH TYR A 113 5.676 10.733 -1.744 1.00 0.57 O ATOM 0 H TYR A 113 2.528 7.835 2.447 1.00 0.33 H new ATOM 0 HA TYR A 113 2.895 5.062 2.159 1.00 0.29 H new ATOM 0 HB2 TYR A 113 4.674 5.038 0.361 1.00 0.31 H new ATOM 0 HB3 TYR A 113 3.069 5.360 -0.262 1.00 0.31 H new ATOM 0 HD1 TYR A 113 6.233 7.017 0.840 1.00 1.14 H new ATOM 0 HD2 TYR A 113 2.558 7.430 -1.349 1.00 1.16 H new ATOM 0 HE1 TYR A 113 7.023 9.182 -0.080 1.00 1.16 H new ATOM 0 HE2 TYR A 113 3.350 9.595 -2.269 1.00 1.19 H new ATOM 0 HH TYR A 113 6.570 10.931 -1.394 1.00 0.57 H new ATOM 1353 N GLN A 114 5.001 5.456 3.499 1.00 0.27 N ATOM 1354 CA GLN A 114 6.145 5.780 4.397 1.00 0.27 C ATOM 1355 C GLN A 114 7.445 5.299 3.750 1.00 0.25 C ATOM 1356 O GLN A 114 7.818 4.148 3.864 1.00 0.25 O ATOM 1357 CB GLN A 114 5.957 5.084 5.748 1.00 0.26 C ATOM 1358 CG GLN A 114 4.473 5.079 6.121 1.00 0.27 C ATOM 1359 CD GLN A 114 4.055 6.481 6.567 1.00 0.54 C ATOM 1360 OE1 GLN A 114 4.506 7.466 6.018 1.00 1.34 O ATOM 1361 NE2 GLN A 114 3.206 6.613 7.548 1.00 0.86 N ATOM 0 H GLN A 114 4.647 4.502 3.572 1.00 0.27 H new ATOM 0 HA GLN A 114 6.189 6.858 4.554 1.00 0.27 H new ATOM 0 HB2 GLN A 114 6.333 4.062 5.697 1.00 0.26 H new ATOM 0 HB3 GLN A 114 6.534 5.598 6.517 1.00 0.26 H new ATOM 0 HG2 GLN A 114 3.873 4.763 5.267 1.00 0.27 H new ATOM 0 HG3 GLN A 114 4.291 4.362 6.921 1.00 0.27 H new ATOM 0 HE21 GLN A 114 2.827 5.786 8.009 1.00 0.86 H new ATOM 0 HE22 GLN A 114 2.921 7.543 7.854 1.00 0.86 H new ATOM 1370 N VAL A 115 8.133 6.170 3.064 1.00 0.29 N ATOM 1371 CA VAL A 115 9.404 5.765 2.399 1.00 0.31 C ATOM 1372 C VAL A 115 10.439 5.354 3.449 1.00 0.29 C ATOM 1373 O VAL A 115 10.296 5.631 4.623 1.00 0.29 O ATOM 1374 CB VAL A 115 9.950 6.942 1.588 1.00 0.41 C ATOM 1375 CG1 VAL A 115 10.491 8.012 2.539 1.00 0.51 C ATOM 1376 CG2 VAL A 115 11.079 6.454 0.677 1.00 0.47 C ATOM 0 H VAL A 115 7.869 7.147 2.935 1.00 0.29 H new ATOM 0 HA VAL A 115 9.207 4.920 1.740 1.00 0.31 H new ATOM 0 HB VAL A 115 9.150 7.366 0.982 1.00 0.41 H new ATOM 0 HG11 VAL A 115 10.880 8.850 1.960 1.00 0.51 H new ATOM 0 HG12 VAL A 115 9.688 8.361 3.189 1.00 0.51 H new ATOM 0 HG13 VAL A 115 11.291 7.588 3.146 1.00 0.51 H new ATOM 0 HG21 VAL A 115 11.468 7.292 0.099 1.00 0.47 H new ATOM 0 HG22 VAL A 115 11.879 6.029 1.284 1.00 0.47 H new ATOM 0 HG23 VAL A 115 10.695 5.692 -0.002 1.00 0.47 H new ATOM 1386 N ASP A 115A 11.486 4.699 3.026 1.00 0.32 N ATOM 1387 CA ASP A 115A 12.545 4.269 3.983 1.00 0.36 C ATOM 1388 C ASP A 115A 11.910 3.720 5.262 1.00 0.32 C ATOM 1389 O ASP A 115A 12.200 4.174 6.351 1.00 0.40 O ATOM 1390 CB ASP A 115A 13.431 5.467 4.329 1.00 0.43 C ATOM 1391 CG ASP A 115A 14.853 4.983 4.616 1.00 0.56 C ATOM 1392 OD1 ASP A 115A 14.996 3.851 5.048 1.00 1.19 O ATOM 1393 OD2 ASP A 115A 15.775 5.752 4.399 1.00 1.23 O ATOM 0 H ASP A 115A 11.654 4.442 2.053 1.00 0.32 H new ATOM 0 HA ASP A 115A 13.146 3.485 3.521 1.00 0.36 H new ATOM 0 HB2 ASP A 115A 13.437 6.179 3.503 1.00 0.43 H new ATOM 0 HB3 ASP A 115A 13.031 5.990 5.198 1.00 0.43 H new ATOM 1398 N LYS A 116 11.058 2.738 5.146 1.00 0.26 N ATOM 1399 CA LYS A 116 10.424 2.159 6.365 1.00 0.27 C ATOM 1400 C LYS A 116 10.974 0.750 6.591 1.00 0.37 C ATOM 1401 O LYS A 116 11.539 0.148 5.701 1.00 0.86 O ATOM 1402 CB LYS A 116 8.907 2.096 6.181 1.00 0.42 C ATOM 1403 CG LYS A 116 8.226 2.801 7.355 1.00 1.53 C ATOM 1404 CD LYS A 116 8.604 4.284 7.347 1.00 2.38 C ATOM 1405 CE LYS A 116 8.073 4.956 8.614 1.00 3.27 C ATOM 1406 NZ LYS A 116 9.212 5.522 9.390 1.00 4.04 N ATOM 0 H LYS A 116 10.774 2.313 4.263 1.00 0.26 H new ATOM 0 HA LYS A 116 10.650 2.786 7.228 1.00 0.27 H new ATOM 0 HB2 LYS A 116 8.623 2.571 5.242 1.00 0.42 H new ATOM 0 HB3 LYS A 116 8.579 1.058 6.125 1.00 0.42 H new ATOM 0 HG2 LYS A 116 7.144 2.690 7.282 1.00 1.53 H new ATOM 0 HG3 LYS A 116 8.531 2.342 8.295 1.00 1.53 H new ATOM 0 HD2 LYS A 116 9.687 4.393 7.292 1.00 2.38 H new ATOM 0 HD3 LYS A 116 8.189 4.771 6.464 1.00 2.38 H new ATOM 0 HE2 LYS A 116 7.369 5.746 8.352 1.00 3.27 H new ATOM 0 HE3 LYS A 116 7.529 4.233 9.221 1.00 3.27 H new ATOM 0 HZ1 LYS A 116 8.852 5.979 10.252 1.00 4.04 H new ATOM 0 HZ2 LYS A 116 9.868 4.758 9.651 1.00 4.04 H new ATOM 0 HZ3 LYS A 116 9.713 6.224 8.809 1.00 4.04 H new ATOM 1420 N ASN A 117 10.821 0.220 7.773 1.00 0.53 N ATOM 1421 CA ASN A 117 11.347 -1.149 8.042 1.00 0.60 C ATOM 1422 C ASN A 117 10.199 -2.074 8.447 1.00 0.60 C ATOM 1423 O ASN A 117 9.039 -1.745 8.300 1.00 0.66 O ATOM 1424 CB ASN A 117 12.376 -1.096 9.176 1.00 0.82 C ATOM 1425 CG ASN A 117 13.081 0.262 9.171 1.00 1.27 C ATOM 1426 OD1 ASN A 117 12.667 1.176 9.856 1.00 1.88 O ATOM 1427 ND2 ASN A 117 14.136 0.433 8.423 1.00 1.86 N ATOM 0 H ASN A 117 10.357 0.672 8.561 1.00 0.53 H new ATOM 0 HA ASN A 117 11.821 -1.530 7.138 1.00 0.60 H new ATOM 0 HB2 ASN A 117 11.883 -1.257 10.135 1.00 0.82 H new ATOM 0 HB3 ASN A 117 13.106 -1.896 9.055 1.00 0.82 H new ATOM 0 HD21 ASN A 117 14.614 1.334 8.413 1.00 1.86 H new ATOM 0 HD22 ASN A 117 14.483 -0.335 7.848 1.00 1.86 H new ATOM 1434 N LYS A 118 10.519 -3.231 8.956 1.00 0.69 N ATOM 1435 CA LYS A 118 9.457 -4.187 9.373 1.00 0.88 C ATOM 1436 C LYS A 118 9.014 -3.863 10.801 1.00 0.85 C ATOM 1437 O LYS A 118 7.908 -4.166 11.203 1.00 1.01 O ATOM 1438 CB LYS A 118 10.014 -5.611 9.315 1.00 1.12 C ATOM 1439 CG LYS A 118 8.962 -6.597 9.824 1.00 1.62 C ATOM 1440 CD LYS A 118 9.616 -7.579 10.796 1.00 1.93 C ATOM 1441 CE LYS A 118 9.869 -8.910 10.084 1.00 2.43 C ATOM 1442 NZ LYS A 118 11.097 -9.545 10.641 1.00 3.02 N ATOM 0 H LYS A 118 11.475 -3.556 9.101 1.00 0.69 H new ATOM 0 HA LYS A 118 8.600 -4.104 8.704 1.00 0.88 H new ATOM 0 HB2 LYS A 118 10.295 -5.860 8.292 1.00 1.12 H new ATOM 0 HB3 LYS A 118 10.917 -5.683 9.921 1.00 1.12 H new ATOM 0 HG2 LYS A 118 8.154 -6.060 10.321 1.00 1.62 H new ATOM 0 HG3 LYS A 118 8.519 -7.137 8.987 1.00 1.62 H new ATOM 0 HD2 LYS A 118 10.555 -7.169 11.167 1.00 1.93 H new ATOM 0 HD3 LYS A 118 8.972 -7.734 11.661 1.00 1.93 H new ATOM 0 HE2 LYS A 118 9.013 -9.573 10.214 1.00 2.43 H new ATOM 0 HE3 LYS A 118 9.985 -8.745 9.013 1.00 2.43 H new ATOM 0 HZ1 LYS A 118 11.270 -10.450 10.158 1.00 3.02 H new ATOM 0 HZ2 LYS A 118 11.911 -8.914 10.496 1.00 3.02 H new ATOM 0 HZ3 LYS A 118 10.969 -9.715 11.659 1.00 3.02 H new ATOM 1456 N ASP A 119 9.866 -3.242 11.572 1.00 0.88 N ATOM 1457 CA ASP A 119 9.487 -2.895 12.970 1.00 1.01 C ATOM 1458 C ASP A 119 8.516 -1.713 12.948 1.00 0.89 C ATOM 1459 O ASP A 119 7.896 -1.386 13.940 1.00 1.18 O ATOM 1460 CB ASP A 119 10.742 -2.516 13.761 1.00 1.17 C ATOM 1461 CG ASP A 119 10.371 -2.271 15.225 1.00 1.70 C ATOM 1462 OD1 ASP A 119 9.313 -2.722 15.632 1.00 2.26 O ATOM 1463 OD2 ASP A 119 11.153 -1.637 15.915 1.00 2.32 O ATOM 0 H ASP A 119 10.806 -2.961 11.294 1.00 0.88 H new ATOM 0 HA ASP A 119 9.009 -3.752 13.445 1.00 1.01 H new ATOM 0 HB2 ASP A 119 11.483 -3.313 13.691 1.00 1.17 H new ATOM 0 HB3 ASP A 119 11.196 -1.621 13.336 1.00 1.17 H new ATOM 1468 N ASP A 120 8.377 -1.074 11.818 1.00 0.64 N ATOM 1469 CA ASP A 120 7.444 0.084 11.721 1.00 0.61 C ATOM 1470 C ASP A 120 6.049 -0.426 11.349 1.00 0.50 C ATOM 1471 O ASP A 120 5.837 -0.948 10.274 1.00 0.62 O ATOM 1472 CB ASP A 120 7.944 1.046 10.641 1.00 0.83 C ATOM 1473 CG ASP A 120 7.122 2.336 10.680 1.00 1.11 C ATOM 1474 OD1 ASP A 120 7.338 3.125 11.586 1.00 1.42 O ATOM 1475 OD2 ASP A 120 6.293 2.514 9.803 1.00 1.78 O ATOM 0 H ASP A 120 8.871 -1.305 10.956 1.00 0.64 H new ATOM 0 HA ASP A 120 7.399 0.605 12.677 1.00 0.61 H new ATOM 0 HB2 ASP A 120 8.999 1.270 10.800 1.00 0.83 H new ATOM 0 HB3 ASP A 120 7.862 0.580 9.659 1.00 0.83 H new ATOM 1480 N GLU A 121 5.099 -0.285 12.232 1.00 0.71 N ATOM 1481 CA GLU A 121 3.723 -0.772 11.927 1.00 0.82 C ATOM 1482 C GLU A 121 2.937 0.318 11.194 1.00 0.71 C ATOM 1483 O GLU A 121 3.099 1.494 11.450 1.00 0.88 O ATOM 1484 CB GLU A 121 3.007 -1.125 13.233 1.00 1.16 C ATOM 1485 CG GLU A 121 2.011 -2.258 12.980 1.00 1.46 C ATOM 1486 CD GLU A 121 1.586 -2.871 14.316 1.00 1.90 C ATOM 1487 OE1 GLU A 121 0.849 -2.219 15.036 1.00 2.54 O ATOM 1488 OE2 GLU A 121 2.006 -3.982 14.596 1.00 2.23 O ATOM 0 H GLU A 121 5.215 0.145 13.150 1.00 0.71 H new ATOM 0 HA GLU A 121 3.787 -1.657 11.293 1.00 0.82 H new ATOM 0 HB2 GLU A 121 3.733 -1.427 13.988 1.00 1.16 H new ATOM 0 HB3 GLU A 121 2.487 -0.250 13.623 1.00 1.16 H new ATOM 0 HG2 GLU A 121 1.139 -1.878 12.448 1.00 1.46 H new ATOM 0 HG3 GLU A 121 2.464 -3.020 12.346 1.00 1.46 H new ATOM 1495 N LEU A 122 2.084 -0.069 10.284 1.00 0.58 N ATOM 1496 CA LEU A 122 1.282 0.937 9.532 1.00 0.55 C ATOM 1497 C LEU A 122 0.444 1.759 10.513 1.00 0.74 C ATOM 1498 O LEU A 122 0.413 2.971 10.454 1.00 1.37 O ATOM 1499 CB LEU A 122 0.349 0.218 8.554 1.00 0.50 C ATOM 1500 CG LEU A 122 1.172 -0.619 7.575 1.00 0.28 C ATOM 1501 CD1 LEU A 122 0.694 -2.071 7.617 1.00 0.45 C ATOM 1502 CD2 LEU A 122 0.992 -0.066 6.159 1.00 0.28 C ATOM 0 H LEU A 122 1.908 -1.041 10.029 1.00 0.58 H new ATOM 0 HA LEU A 122 1.954 1.596 8.982 1.00 0.55 H new ATOM 0 HB2 LEU A 122 -0.343 -0.422 9.101 1.00 0.50 H new ATOM 0 HB3 LEU A 122 -0.252 0.946 8.009 1.00 0.50 H new ATOM 0 HG LEU A 122 2.225 -0.575 7.854 1.00 0.28 H new ATOM 0 HD11 LEU A 122 1.281 -2.668 6.919 1.00 0.45 H new ATOM 0 HD12 LEU A 122 0.818 -2.466 8.625 1.00 0.45 H new ATOM 0 HD13 LEU A 122 -0.358 -2.116 7.337 1.00 0.45 H new ATOM 0 HD21 LEU A 122 1.578 -0.661 5.459 1.00 0.28 H new ATOM 0 HD22 LEU A 122 -0.061 -0.112 5.882 1.00 0.28 H new ATOM 0 HD23 LEU A 122 1.331 0.970 6.127 1.00 0.28 H new ATOM 1514 N THR A 123 -0.242 1.106 11.412 1.00 0.65 N ATOM 1515 CA THR A 123 -1.083 1.850 12.393 1.00 0.81 C ATOM 1516 C THR A 123 -1.922 2.888 11.643 1.00 0.90 C ATOM 1517 O THR A 123 -1.998 2.877 10.430 1.00 1.61 O ATOM 1518 CB THR A 123 -0.195 2.557 13.434 1.00 1.00 C ATOM 1519 OG1 THR A 123 -0.239 3.962 13.225 1.00 1.29 O ATOM 1520 CG2 THR A 123 1.254 2.074 13.317 1.00 0.85 C ATOM 0 H THR A 123 -0.256 0.091 11.509 1.00 0.65 H new ATOM 0 HA THR A 123 -1.735 1.148 12.912 1.00 0.81 H new ATOM 0 HB THR A 123 -0.570 2.320 14.430 1.00 1.00 H new ATOM 0 HG1 THR A 123 0.326 4.409 13.889 1.00 1.29 H new ATOM 0 HG21 THR A 123 1.868 2.583 14.060 1.00 0.85 H new ATOM 0 HG22 THR A 123 1.294 0.998 13.489 1.00 0.85 H new ATOM 0 HG23 THR A 123 1.632 2.296 12.319 1.00 0.85 H new ATOM 1528 N GLY A 124 -2.548 3.786 12.351 1.00 0.87 N ATOM 1529 CA GLY A 124 -3.376 4.822 11.670 1.00 0.87 C ATOM 1530 C GLY A 124 -2.457 5.833 10.984 1.00 0.97 C ATOM 1531 O GLY A 124 -1.996 6.778 11.592 1.00 1.86 O ATOM 0 H GLY A 124 -2.523 3.848 13.369 1.00 0.87 H new ATOM 0 HA2 GLY A 124 -4.033 4.355 10.937 1.00 0.87 H new ATOM 0 HA3 GLY A 124 -4.015 5.327 12.394 1.00 0.87 H new ATOM 1535 N PHE A 125 -2.182 5.642 9.722 1.00 0.58 N ATOM 1536 CA PHE A 125 -1.289 6.595 9.006 1.00 0.60 C ATOM 1537 C PHE A 125 -1.893 6.928 7.634 1.00 1.34 C ATOM 1538 O PHE A 125 -2.725 6.164 7.173 1.00 2.15 O ATOM 1539 CB PHE A 125 0.114 5.962 8.867 1.00 1.36 C ATOM 1540 CG PHE A 125 0.380 5.511 7.445 1.00 0.91 C ATOM 1541 CD1 PHE A 125 0.641 6.462 6.448 1.00 1.37 C ATOM 1542 CD2 PHE A 125 0.369 4.147 7.126 1.00 1.43 C ATOM 1543 CE1 PHE A 125 0.889 6.049 5.133 1.00 1.25 C ATOM 1544 CE2 PHE A 125 0.618 3.733 5.810 1.00 1.27 C ATOM 1545 CZ PHE A 125 0.878 4.685 4.814 1.00 0.31 C ATOM 1546 OXT PHE A 125 -1.511 7.941 7.071 1.00 2.00 O ATOM 0 H PHE A 125 -2.536 4.869 9.158 1.00 0.58 H new ATOM 0 HA PHE A 125 -1.194 7.525 9.567 1.00 0.60 H new ATOM 0 HB2 PHE A 125 0.872 6.685 9.169 1.00 1.36 H new ATOM 0 HB3 PHE A 125 0.199 5.110 9.542 1.00 1.36 H new ATOM 0 HD1 PHE A 125 0.651 7.513 6.694 1.00 1.37 H new ATOM 0 HD2 PHE A 125 0.169 3.414 7.894 1.00 1.43 H new ATOM 0 HE1 PHE A 125 1.089 6.782 4.365 1.00 1.25 H new ATOM 0 HE2 PHE A 125 0.610 2.682 5.564 1.00 1.27 H new ATOM 0 HZ PHE A 125 1.070 4.366 3.800 1.00 0.31 H new TER 1556 PHE A 125 END