USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) HEADER CELL ADHESION PROTEIN 08-AUG-95 1FBR TITLE FOURTH AND FIFTH FIBRONECTIN TYPE I MODULE PAIR COMPND MOL_ID: 1; COMPND 2 MOLECULE: FIBRONECTIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 TISSUE: PLASMA; SOURCE 6 GENE: HUMAN FIBRONECTIN; SOURCE 7 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE; SOURCE 8 EXPRESSION_SYSTEM_COMMON: BAKER'S YEAST; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 4932; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PMA91; SOURCE 1 EXPRESSION_SYSTEM_GENE: HUMAN FIBRONECTIN; SOURCE 2 OTHER_DETAILS: EXTRACELLULAR KEYWDS CELL ADHESION PROTEIN EXPDTA SOLUTION NMR AUTHOR I.Q.H.PHAN,M.J.WILLIAMS,I.D.CAMPBELL REVDAT 3 24-FEB-09 1FBR 1 VERSN REVDAT 2 01-APR-03 1FBR 1 JRNL REVDAT 1 15-OCT-95 1FBR 0 JRNL AUTH M.J.WILLIAMS,I.PHAN,T.S.HARVEY,A.ROSTAGNO,L.I.GOLD, JRNL AUTH 2 I.D.CAMPBELL JRNL TITL SOLUTION STRUCTURE OF A PAIR OF FIBRONECTIN TYPE 1 JRNL TITL 2 MODULES WITH FIBRIN BINDING ACTIVITY. JRNL REF J.MOL.BIOL. V. 235 1302 1994 JRNL REFN ISSN 0022-2836 JRNL PMID 8308892 JRNL DOI 10.1006/JMBI.1994.1083 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1FBR 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) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 CYS A 4 64.14 -118.60 REMARK 500 HIS A 7 -82.79 54.90 REMARK 500 TYR A 23 -120.07 -69.60 REMARK 500 GLN A 24 -88.04 -43.85 REMARK 500 MET A 27 158.10 -46.75 REMARK 500 ARG A 59 -164.28 -124.89 REMARK 500 LYS A 67 -178.41 -63.39 REMARK 500 ASP A 68 -95.22 -110.05 REMARK 500 ASN A 69 10.22 -143.12 REMARK 500 ASN A 72 -155.80 -66.61 REMARK 500 GLN A 75 87.78 -66.68 REMARK 500 ASN A 81 53.71 -141.45 REMARK 500 ARG A 83 25.42 -151.91 REMARK 500 TRP A 86 101.59 -56.53 REMARK 500 ARG A 90 174.36 -50.19 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 40 0.29 SIDE_CHAIN REMARK 500 ARG A 46 0.26 SIDE_CHAIN REMARK 500 ARG A 48 0.20 SIDE_CHAIN REMARK 500 ARG A 55 0.24 SIDE_CHAIN REMARK 500 ARG A 59 0.32 SIDE_CHAIN REMARK 500 ARG A 70 0.26 SIDE_CHAIN REMARK 500 ARG A 83 0.12 SIDE_CHAIN REMARK 500 ARG A 90 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1FBR A 1 93 UNP P02751 FINC_HUMAN 183 275 SEQRES 1 A 93 ALA GLU LYS CYS PHE ASP HIS ALA ALA GLY THR SER TYR SEQRES 2 A 93 VAL VAL GLY GLU THR TRP GLU LYS PRO TYR GLN GLY TRP SEQRES 3 A 93 MET MET VAL ASP CYS THR CYS LEU GLY GLU GLY SER GLY SEQRES 4 A 93 ARG ILE THR CYS THR SER ARG ASN ARG CYS ASN ASP GLN SEQRES 5 A 93 ASP THR ARG THR SER TYR ARG ILE GLY ASP THR TRP SER SEQRES 6 A 93 LYS LYS ASP ASN ARG GLY ASN LEU LEU GLN CYS ILE CYS SEQRES 7 A 93 THR GLY ASN GLY ARG GLY GLU TRP LYS CYS GLU ARG HIS SEQRES 8 A 93 THR SER SHEET 1 A 2 LYS A 3 ASP A 6 0 SHEET 2 A 2 THR A 11 VAL A 14 -1 SHEET 1 B 3 THR A 18 PRO A 22 0 SHEET 2 B 3 MET A 28 CYS A 33 -1 O CYS A 31 N TRP A 19 SHEET 3 B 3 ILE A 41 SER A 45 -1 O THR A 44 N ASP A 30 SHEET 1 C 2 ARG A 48 ASP A 51 0 SHEET 2 C 2 THR A 56 ARG A 59 -1 SHEET 1 D 3 THR A 63 LYS A 67 0 SHEET 2 D 3 LEU A 73 CYS A 78 -1 O CYS A 76 N TRP A 64 SHEET 3 D 3 TRP A 86 ARG A 90 -1 O GLU A 89 N GLN A 75 SSBOND *** CYS A 4 CYS A 33 1555 1555 2.02 SSBOND *** CYS A 31 CYS A 43 1555 1555 2.02 SSBOND *** CYS A 49 CYS A 78 1555 1555 2.02 SSBOND *** CYS A 76 CYS A 88 1555 1555 2.02 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 THR OG1 : rot -158:sc= -3.67! USER MOD Set 1.2: A 58 TYR OH : rot -107:sc= 0.0454 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= -0.354 USER MOD Set 2.2: A 32 THR OG1 : rot -119:sc= -2.05! USER MOD Set 3.1: A 27 MET CE :methyl -166:sc= -3.73! (180deg=-3.64!) USER MOD Set 3.2: A 45 SER OG : rot 62:sc= 0.87 USER MOD Set 3.3: A 50 ASN :FLIP amide:sc= 1.18 F(o=-4.8,f=-1.9) USER MOD Set 3.4: A 52 GLN : amide:sc= -0.17 K(o=-1.9,f=-7.6!) USER MOD Set 4.1: A 11 THR OG1 : rot 122:sc= 1.07 USER MOD Set 4.2: A 13 TYR OH : rot -75:sc= 0.872 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.098) USER MOD Single : A 12 SER OG : rot -170:sc= 0.0454 USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= -0.0527 (180deg=-0.513) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl 152:sc= -0.559 (180deg=-2.39!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 47 ASN : amide:sc= -1.97 K(o=-2,f=-8.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -108:sc= -1.62! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0.177 K(o=0.18,f=-4.1!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN :FLIP amide:sc= -1.04! C(o=-1.7!,f=-1!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HE2:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0665 USER MOD Single : A 93 SER OG : rot -42:sc= 0.0256 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -34.385 -7.150 9.516 1.00 3.82 N ATOM 2 CA ALA A 1 -33.082 -7.803 9.203 1.00 3.55 C ATOM 3 C ALA A 1 -32.903 -7.889 7.684 1.00 3.32 C ATOM 4 O ALA A 1 -33.186 -8.901 7.074 1.00 3.41 O ATOM 5 CB ALA A 1 -33.065 -9.213 9.799 1.00 3.73 C ATOM 0 H1 ALA A 1 -34.505 -7.092 10.547 1.00 3.82 H new ATOM 0 H2 ALA A 1 -34.399 -6.192 9.111 1.00 3.82 H new ATOM 0 H3 ALA A 1 -35.161 -7.710 9.108 1.00 3.82 H new ATOM 0 HA ALA A 1 -32.269 -7.216 9.630 1.00 3.55 H new ATOM 0 HB1 ALA A 1 -32.113 -9.693 9.571 1.00 3.73 H new ATOM 0 HB2 ALA A 1 -33.192 -9.153 10.880 1.00 3.73 H new ATOM 0 HB3 ALA A 1 -33.878 -9.799 9.371 1.00 3.73 H new ATOM 13 N GLU A 2 -32.435 -6.837 7.068 1.00 3.12 N ATOM 14 CA GLU A 2 -32.240 -6.867 5.590 1.00 2.99 C ATOM 15 C GLU A 2 -31.066 -7.792 5.254 1.00 2.65 C ATOM 16 O GLU A 2 -29.936 -7.531 5.614 1.00 2.42 O ATOM 17 CB GLU A 2 -31.944 -5.453 5.082 1.00 2.99 C ATOM 18 CG GLU A 2 -32.810 -5.162 3.854 1.00 3.21 C ATOM 19 CD GLU A 2 -32.693 -3.682 3.481 1.00 3.32 C ATOM 20 OE1 GLU A 2 -31.747 -3.339 2.792 1.00 3.56 O ATOM 21 OE2 GLU A 2 -33.553 -2.919 3.889 1.00 3.73 O ATOM 0 H GLU A 2 -32.180 -5.960 7.523 1.00 3.12 H new ATOM 0 HA GLU A 2 -33.145 -7.238 5.109 1.00 2.99 H new ATOM 0 HB2 GLU A 2 -32.148 -4.723 5.866 1.00 2.99 H new ATOM 0 HB3 GLU A 2 -30.888 -5.360 4.827 1.00 2.99 H new ATOM 0 HG2 GLU A 2 -32.493 -5.784 3.017 1.00 3.21 H new ATOM 0 HG3 GLU A 2 -33.850 -5.414 4.062 1.00 3.21 H new ATOM 28 N LYS A 3 -31.327 -8.874 4.572 1.00 2.69 N ATOM 29 CA LYS A 3 -30.228 -9.819 4.220 1.00 2.39 C ATOM 30 C LYS A 3 -29.550 -9.366 2.923 1.00 2.15 C ATOM 31 O LYS A 3 -30.136 -8.674 2.114 1.00 2.35 O ATOM 32 CB LYS A 3 -30.807 -11.224 4.036 1.00 2.48 C ATOM 33 CG LYS A 3 -31.332 -11.736 5.381 1.00 2.78 C ATOM 34 CD LYS A 3 -32.367 -12.840 5.146 1.00 2.91 C ATOM 35 CE LYS A 3 -31.867 -14.147 5.765 1.00 3.26 C ATOM 36 NZ LYS A 3 -32.951 -15.168 5.719 1.00 3.36 N ATOM 0 H LYS A 3 -32.254 -9.145 4.243 1.00 2.69 H new ATOM 0 HA LYS A 3 -29.490 -9.831 5.022 1.00 2.39 H new ATOM 0 HB2 LYS A 3 -31.613 -11.204 3.302 1.00 2.48 H new ATOM 0 HB3 LYS A 3 -30.041 -11.898 3.651 1.00 2.48 H new ATOM 0 HG2 LYS A 3 -30.507 -12.120 5.982 1.00 2.78 H new ATOM 0 HG3 LYS A 3 -31.781 -10.917 5.942 1.00 2.78 H new ATOM 0 HD2 LYS A 3 -33.322 -12.558 5.588 1.00 2.91 H new ATOM 0 HD3 LYS A 3 -32.537 -12.973 4.078 1.00 2.91 H new ATOM 0 HE2 LYS A 3 -30.992 -14.506 5.224 1.00 3.26 H new ATOM 0 HE3 LYS A 3 -31.557 -13.978 6.796 1.00 3.26 H new ATOM 0 HZ1 LYS A 3 -32.610 -16.056 6.140 1.00 3.36 H new ATOM 0 HZ2 LYS A 3 -33.774 -14.825 6.254 1.00 3.36 H new ATOM 0 HZ3 LYS A 3 -33.227 -15.337 4.731 1.00 3.36 H new ATOM 50 N CYS A 4 -28.315 -9.748 2.722 1.00 1.84 N ATOM 51 CA CYS A 4 -27.595 -9.338 1.482 1.00 1.63 C ATOM 52 C CYS A 4 -27.203 -10.580 0.677 1.00 1.50 C ATOM 53 O CYS A 4 -26.038 -10.867 0.491 1.00 1.31 O ATOM 54 CB CYS A 4 -26.331 -8.565 1.864 1.00 1.50 C ATOM 55 SG CYS A 4 -26.766 -6.853 2.256 1.00 1.76 S ATOM 0 H CYS A 4 -27.774 -10.327 3.365 1.00 1.84 H new ATOM 0 HA CYS A 4 -28.247 -8.706 0.878 1.00 1.63 H new ATOM 0 HB2 CYS A 4 -25.850 -9.035 2.722 1.00 1.50 H new ATOM 0 HB3 CYS A 4 -25.614 -8.591 1.043 1.00 1.50 H new ATOM 60 N PHE A 5 -28.165 -11.319 0.199 1.00 1.76 N ATOM 61 CA PHE A 5 -27.845 -12.541 -0.592 1.00 1.89 C ATOM 62 C PHE A 5 -26.796 -12.213 -1.657 1.00 1.68 C ATOM 63 O PHE A 5 -26.972 -11.317 -2.458 1.00 1.83 O ATOM 64 CB PHE A 5 -29.114 -13.051 -1.274 1.00 2.44 C ATOM 65 CG PHE A 5 -29.430 -14.439 -0.772 1.00 2.12 C ATOM 66 CD1 PHE A 5 -28.724 -15.539 -1.274 1.00 2.57 C ATOM 67 CD2 PHE A 5 -30.423 -14.627 0.197 1.00 2.33 C ATOM 68 CE1 PHE A 5 -29.012 -16.827 -0.809 1.00 2.86 C ATOM 69 CE2 PHE A 5 -30.711 -15.917 0.662 1.00 2.70 C ATOM 70 CZ PHE A 5 -30.005 -17.016 0.159 1.00 2.82 C ATOM 0 H PHE A 5 -29.160 -11.130 0.322 1.00 1.76 H new ATOM 0 HA PHE A 5 -27.452 -13.307 0.076 1.00 1.89 H new ATOM 0 HB2 PHE A 5 -29.947 -12.379 -1.066 1.00 2.44 H new ATOM 0 HB3 PHE A 5 -28.978 -13.066 -2.355 1.00 2.44 H new ATOM 0 HD1 PHE A 5 -27.957 -15.393 -2.020 1.00 2.57 H new ATOM 0 HD2 PHE A 5 -30.966 -13.778 0.586 1.00 2.33 H new ATOM 0 HE1 PHE A 5 -28.468 -17.675 -1.197 1.00 2.86 H new ATOM 0 HE2 PHE A 5 -31.478 -16.063 1.408 1.00 2.70 H new ATOM 0 HZ PHE A 5 -30.227 -18.010 0.518 1.00 2.82 H new ATOM 80 N ASP A 6 -25.708 -12.938 -1.679 1.00 1.56 N ATOM 81 CA ASP A 6 -24.658 -12.670 -2.704 1.00 1.48 C ATOM 82 C ASP A 6 -24.985 -13.451 -3.985 1.00 1.71 C ATOM 83 O ASP A 6 -24.260 -13.398 -4.955 1.00 2.39 O ATOM 84 CB ASP A 6 -23.290 -13.097 -2.165 1.00 1.37 C ATOM 85 CG ASP A 6 -22.186 -12.489 -3.033 1.00 1.73 C ATOM 86 OD1 ASP A 6 -22.479 -12.127 -4.161 1.00 2.21 O ATOM 87 OD2 ASP A 6 -21.067 -12.395 -2.556 1.00 2.21 O ATOM 0 H ASP A 6 -25.502 -13.701 -1.034 1.00 1.56 H new ATOM 0 HA ASP A 6 -24.632 -11.604 -2.930 1.00 1.48 H new ATOM 0 HB2 ASP A 6 -23.176 -12.770 -1.132 1.00 1.37 H new ATOM 0 HB3 ASP A 6 -23.210 -14.184 -2.166 1.00 1.37 H new ATOM 92 N HIS A 7 -26.087 -14.159 -3.989 1.00 1.67 N ATOM 93 CA HIS A 7 -26.508 -14.940 -5.195 1.00 1.83 C ATOM 94 C HIS A 7 -25.402 -15.904 -5.658 1.00 1.86 C ATOM 95 O HIS A 7 -25.427 -17.076 -5.338 1.00 1.90 O ATOM 96 CB HIS A 7 -26.881 -13.976 -6.327 1.00 2.03 C ATOM 97 CG HIS A 7 -27.974 -14.592 -7.156 1.00 2.17 C ATOM 98 ND1 HIS A 7 -28.698 -13.863 -8.087 1.00 2.55 N ATOM 99 CD2 HIS A 7 -28.479 -15.869 -7.206 1.00 2.83 C ATOM 100 CE1 HIS A 7 -29.589 -14.699 -8.652 1.00 3.21 C ATOM 101 NE2 HIS A 7 -29.498 -15.934 -8.151 1.00 3.53 N ATOM 0 H HIS A 7 -26.723 -14.230 -3.195 1.00 1.67 H new ATOM 0 HA HIS A 7 -27.377 -15.541 -4.927 1.00 1.83 H new ATOM 0 HB2 HIS A 7 -27.213 -13.023 -5.915 1.00 2.03 H new ATOM 0 HB3 HIS A 7 -26.009 -13.769 -6.948 1.00 2.03 H new ATOM 0 HD2 HIS A 7 -28.137 -16.697 -6.603 1.00 2.83 H new ATOM 0 HE1 HIS A 7 -30.292 -14.407 -9.418 1.00 3.21 H new ATOM 0 HE2 HIS A 7 -30.056 -16.749 -8.406 1.00 3.53 H new ATOM 109 N ALA A 8 -24.439 -15.440 -6.415 1.00 2.02 N ATOM 110 CA ALA A 8 -23.362 -16.356 -6.889 1.00 2.18 C ATOM 111 C ALA A 8 -22.851 -17.183 -5.713 1.00 2.19 C ATOM 112 O ALA A 8 -22.312 -18.258 -5.881 1.00 2.36 O ATOM 113 CB ALA A 8 -22.213 -15.534 -7.475 1.00 2.35 C ATOM 0 H ALA A 8 -24.354 -14.471 -6.723 1.00 2.02 H new ATOM 0 HA ALA A 8 -23.758 -17.020 -7.657 1.00 2.18 H new ATOM 0 HB1 ALA A 8 -21.426 -16.204 -7.821 1.00 2.35 H new ATOM 0 HB2 ALA A 8 -22.580 -14.941 -8.313 1.00 2.35 H new ATOM 0 HB3 ALA A 8 -21.813 -14.870 -6.709 1.00 2.35 H new ATOM 119 N ALA A 9 -23.018 -16.685 -4.521 1.00 2.11 N ATOM 120 CA ALA A 9 -22.547 -17.435 -3.325 1.00 2.25 C ATOM 121 C ALA A 9 -23.687 -18.297 -2.779 1.00 2.29 C ATOM 122 O ALA A 9 -23.472 -19.381 -2.272 1.00 2.61 O ATOM 123 CB ALA A 9 -22.099 -16.441 -2.254 1.00 2.24 C ATOM 0 H ALA A 9 -23.462 -15.788 -4.323 1.00 2.11 H new ATOM 0 HA ALA A 9 -21.711 -18.078 -3.601 1.00 2.25 H new ATOM 0 HB1 ALA A 9 -21.753 -16.985 -1.375 1.00 2.24 H new ATOM 0 HB2 ALA A 9 -21.287 -15.827 -2.644 1.00 2.24 H new ATOM 0 HB3 ALA A 9 -22.937 -15.801 -1.978 1.00 2.24 H new ATOM 129 N GLY A 10 -24.900 -17.826 -2.877 1.00 2.15 N ATOM 130 CA GLY A 10 -26.047 -18.612 -2.365 1.00 2.29 C ATOM 131 C GLY A 10 -26.103 -18.489 -0.844 1.00 2.35 C ATOM 132 O GLY A 10 -26.754 -19.261 -0.168 1.00 2.61 O ATOM 0 H GLY A 10 -25.142 -16.926 -3.292 1.00 2.15 H new ATOM 0 HA2 GLY A 10 -26.976 -18.250 -2.805 1.00 2.29 H new ATOM 0 HA3 GLY A 10 -25.944 -19.658 -2.653 1.00 2.29 H new ATOM 136 N THR A 11 -25.423 -17.517 -0.303 1.00 2.14 N ATOM 137 CA THR A 11 -25.429 -17.328 1.172 1.00 2.22 C ATOM 138 C THR A 11 -25.947 -15.926 1.496 1.00 2.08 C ATOM 139 O THR A 11 -25.689 -14.978 0.781 1.00 2.02 O ATOM 140 CB THR A 11 -24.005 -17.485 1.711 1.00 2.19 C ATOM 141 OG1 THR A 11 -23.106 -17.652 0.624 1.00 2.35 O ATOM 142 CG2 THR A 11 -23.936 -18.708 2.627 1.00 2.50 C ATOM 0 H THR A 11 -24.861 -16.843 -0.823 1.00 2.14 H new ATOM 0 HA THR A 11 -26.075 -18.073 1.636 1.00 2.22 H new ATOM 0 HB THR A 11 -23.729 -16.595 2.277 1.00 2.19 H new ATOM 0 HG1 THR A 11 -22.425 -16.948 0.651 1.00 2.35 H new ATOM 0 HG21 THR A 11 -22.922 -18.819 3.010 1.00 2.50 H new ATOM 0 HG22 THR A 11 -24.626 -18.578 3.460 1.00 2.50 H new ATOM 0 HG23 THR A 11 -24.211 -19.600 2.064 1.00 2.50 H new ATOM 150 N SER A 12 -26.680 -15.786 2.565 1.00 2.23 N ATOM 151 CA SER A 12 -27.217 -14.445 2.928 1.00 2.14 C ATOM 152 C SER A 12 -26.322 -13.804 3.990 1.00 2.00 C ATOM 153 O SER A 12 -25.474 -14.449 4.573 1.00 2.09 O ATOM 154 CB SER A 12 -28.633 -14.598 3.481 1.00 2.45 C ATOM 155 OG SER A 12 -28.736 -15.838 4.170 1.00 2.82 O ATOM 0 H SER A 12 -26.930 -16.542 3.203 1.00 2.23 H new ATOM 0 HA SER A 12 -27.238 -13.811 2.042 1.00 2.14 H new ATOM 0 HB2 SER A 12 -28.864 -13.774 4.156 1.00 2.45 H new ATOM 0 HB3 SER A 12 -29.359 -14.558 2.669 1.00 2.45 H new ATOM 0 HG SER A 12 -29.675 -16.014 4.389 1.00 2.82 H new ATOM 161 N TYR A 13 -26.507 -12.539 4.245 1.00 1.86 N ATOM 162 CA TYR A 13 -25.669 -11.854 5.269 1.00 1.77 C ATOM 163 C TYR A 13 -26.472 -10.725 5.910 1.00 1.89 C ATOM 164 O TYR A 13 -26.506 -9.614 5.419 1.00 1.84 O ATOM 165 CB TYR A 13 -24.415 -11.287 4.603 1.00 1.48 C ATOM 166 CG TYR A 13 -23.780 -12.361 3.754 1.00 1.35 C ATOM 167 CD1 TYR A 13 -22.824 -13.219 4.311 1.00 1.81 C ATOM 168 CD2 TYR A 13 -24.152 -12.505 2.412 1.00 1.73 C ATOM 169 CE1 TYR A 13 -22.239 -14.219 3.526 1.00 1.79 C ATOM 170 CE2 TYR A 13 -23.568 -13.506 1.627 1.00 1.80 C ATOM 171 CZ TYR A 13 -22.612 -14.363 2.184 1.00 1.42 C ATOM 172 OH TYR A 13 -22.037 -15.351 1.411 1.00 1.59 O ATOM 0 H TYR A 13 -27.203 -11.949 3.788 1.00 1.86 H new ATOM 0 HA TYR A 13 -25.375 -12.567 6.039 1.00 1.77 H new ATOM 0 HB2 TYR A 13 -24.673 -10.425 3.988 1.00 1.48 H new ATOM 0 HB3 TYR A 13 -23.711 -10.940 5.360 1.00 1.48 H new ATOM 0 HD1 TYR A 13 -22.538 -13.109 5.347 1.00 1.81 H new ATOM 0 HD2 TYR A 13 -24.890 -11.844 1.982 1.00 1.73 H new ATOM 0 HE1 TYR A 13 -21.500 -14.879 3.955 1.00 1.79 H new ATOM 0 HE2 TYR A 13 -23.855 -13.617 0.592 1.00 1.80 H new ATOM 0 HH TYR A 13 -21.120 -15.093 1.179 1.00 1.59 H new ATOM 182 N VAL A 14 -27.120 -11.007 7.006 1.00 2.12 N ATOM 183 CA VAL A 14 -27.928 -9.964 7.694 1.00 2.31 C ATOM 184 C VAL A 14 -27.163 -8.638 7.697 1.00 2.18 C ATOM 185 O VAL A 14 -25.953 -8.611 7.797 1.00 2.07 O ATOM 186 CB VAL A 14 -28.193 -10.409 9.132 1.00 2.57 C ATOM 187 CG1 VAL A 14 -29.114 -9.401 9.818 1.00 2.78 C ATOM 188 CG2 VAL A 14 -28.862 -11.785 9.121 1.00 2.83 C ATOM 0 H VAL A 14 -27.124 -11.922 7.457 1.00 2.12 H new ATOM 0 HA VAL A 14 -28.874 -9.827 7.171 1.00 2.31 H new ATOM 0 HB VAL A 14 -27.250 -10.465 9.675 1.00 2.57 H new ATOM 0 HG11 VAL A 14 -29.302 -9.719 10.843 1.00 2.78 H new ATOM 0 HG12 VAL A 14 -28.639 -8.420 9.824 1.00 2.78 H new ATOM 0 HG13 VAL A 14 -30.058 -9.344 9.277 1.00 2.78 H new ATOM 0 HG21 VAL A 14 -29.052 -12.105 10.145 1.00 2.83 H new ATOM 0 HG22 VAL A 14 -29.805 -11.727 8.578 1.00 2.83 H new ATOM 0 HG23 VAL A 14 -28.206 -12.505 8.632 1.00 2.83 H new ATOM 198 N VAL A 15 -27.863 -7.540 7.583 1.00 2.34 N ATOM 199 CA VAL A 15 -27.185 -6.213 7.574 1.00 2.31 C ATOM 200 C VAL A 15 -26.067 -6.193 8.620 1.00 2.29 C ATOM 201 O VAL A 15 -26.177 -6.791 9.672 1.00 2.51 O ATOM 202 CB VAL A 15 -28.205 -5.119 7.899 1.00 2.60 C ATOM 203 CG1 VAL A 15 -28.582 -5.196 9.379 1.00 2.93 C ATOM 204 CG2 VAL A 15 -27.595 -3.747 7.602 1.00 2.62 C ATOM 0 H VAL A 15 -28.879 -7.507 7.496 1.00 2.34 H new ATOM 0 HA VAL A 15 -26.757 -6.035 6.588 1.00 2.31 H new ATOM 0 HB VAL A 15 -29.096 -5.262 7.288 1.00 2.60 H new ATOM 0 HG11 VAL A 15 -29.308 -4.417 9.610 1.00 2.93 H new ATOM 0 HG12 VAL A 15 -29.016 -6.172 9.593 1.00 2.93 H new ATOM 0 HG13 VAL A 15 -27.690 -5.054 9.989 1.00 2.93 H new ATOM 0 HG21 VAL A 15 -28.321 -2.968 7.833 1.00 2.62 H new ATOM 0 HG22 VAL A 15 -26.704 -3.605 8.213 1.00 2.62 H new ATOM 0 HG23 VAL A 15 -27.325 -3.689 6.548 1.00 2.62 H new ATOM 214 N GLY A 16 -24.991 -5.509 8.338 1.00 2.10 N ATOM 215 CA GLY A 16 -23.867 -5.449 9.316 1.00 2.10 C ATOM 216 C GLY A 16 -23.153 -6.801 9.364 1.00 1.92 C ATOM 217 O GLY A 16 -22.719 -7.247 10.408 1.00 2.06 O ATOM 0 H GLY A 16 -24.842 -4.989 7.473 1.00 2.10 H new ATOM 0 HA2 GLY A 16 -23.165 -4.666 9.030 1.00 2.10 H new ATOM 0 HA3 GLY A 16 -24.246 -5.192 10.305 1.00 2.10 H new ATOM 221 N GLU A 17 -23.028 -7.460 8.244 1.00 1.66 N ATOM 222 CA GLU A 17 -22.343 -8.781 8.232 1.00 1.53 C ATOM 223 C GLU A 17 -21.094 -8.701 7.350 1.00 1.27 C ATOM 224 O GLU A 17 -20.878 -7.734 6.647 1.00 1.26 O ATOM 225 CB GLU A 17 -23.295 -9.838 7.672 1.00 1.56 C ATOM 226 CG GLU A 17 -24.034 -10.523 8.824 1.00 1.89 C ATOM 227 CD GLU A 17 -23.241 -11.747 9.286 1.00 2.17 C ATOM 228 OE1 GLU A 17 -22.243 -11.561 9.962 1.00 2.68 O ATOM 229 OE2 GLU A 17 -23.648 -12.850 8.958 1.00 2.47 O ATOM 0 H GLU A 17 -23.371 -7.140 7.338 1.00 1.66 H new ATOM 0 HA GLU A 17 -22.053 -9.051 9.247 1.00 1.53 H new ATOM 0 HB2 GLU A 17 -24.010 -9.375 6.992 1.00 1.56 H new ATOM 0 HB3 GLU A 17 -22.737 -10.575 7.094 1.00 1.56 H new ATOM 0 HG2 GLU A 17 -24.163 -9.826 9.652 1.00 1.89 H new ATOM 0 HG3 GLU A 17 -25.031 -10.823 8.502 1.00 1.89 H new ATOM 236 N THR A 18 -20.270 -9.712 7.383 1.00 1.21 N ATOM 237 CA THR A 18 -19.037 -9.696 6.548 1.00 1.03 C ATOM 238 C THR A 18 -18.626 -11.135 6.227 1.00 1.04 C ATOM 239 O THR A 18 -18.576 -11.984 7.095 1.00 1.24 O ATOM 240 CB THR A 18 -17.912 -8.996 7.316 1.00 1.14 C ATOM 241 OG1 THR A 18 -18.426 -7.822 7.932 1.00 1.33 O ATOM 242 CG2 THR A 18 -16.790 -8.615 6.349 1.00 1.33 C ATOM 0 H THR A 18 -20.398 -10.549 7.952 1.00 1.21 H new ATOM 0 HA THR A 18 -19.228 -9.158 5.619 1.00 1.03 H new ATOM 0 HB THR A 18 -17.518 -9.668 8.078 1.00 1.14 H new ATOM 0 HG1 THR A 18 -17.710 -7.371 8.426 1.00 1.33 H new ATOM 0 HG21 THR A 18 -15.990 -8.117 6.897 1.00 1.33 H new ATOM 0 HG22 THR A 18 -16.398 -9.514 5.874 1.00 1.33 H new ATOM 0 HG23 THR A 18 -17.180 -7.942 5.586 1.00 1.33 H new ATOM 250 N TRP A 19 -18.341 -11.419 4.986 1.00 0.94 N ATOM 251 CA TRP A 19 -17.945 -12.806 4.615 1.00 1.08 C ATOM 252 C TRP A 19 -16.916 -12.767 3.483 1.00 1.05 C ATOM 253 O TRP A 19 -16.518 -11.714 3.026 1.00 0.99 O ATOM 254 CB TRP A 19 -19.182 -13.578 4.152 1.00 1.11 C ATOM 255 CG TRP A 19 -19.834 -12.848 3.022 1.00 0.86 C ATOM 256 CD1 TRP A 19 -19.783 -13.224 1.723 1.00 0.83 C ATOM 257 CD2 TRP A 19 -20.632 -11.629 3.065 1.00 0.71 C ATOM 258 NE1 TRP A 19 -20.500 -12.314 0.967 1.00 0.63 N ATOM 259 CE2 TRP A 19 -21.041 -11.313 1.748 1.00 0.57 C ATOM 260 CE3 TRP A 19 -21.036 -10.775 4.107 1.00 0.82 C ATOM 261 CZ2 TRP A 19 -21.824 -10.192 1.474 1.00 0.61 C ATOM 262 CZ3 TRP A 19 -21.825 -9.644 3.833 1.00 0.86 C ATOM 263 CH2 TRP A 19 -22.218 -9.354 2.520 1.00 0.79 C ATOM 0 H TRP A 19 -18.365 -10.752 4.215 1.00 0.94 H new ATOM 0 HA TRP A 19 -17.506 -13.300 5.482 1.00 1.08 H new ATOM 0 HB2 TRP A 19 -18.899 -14.582 3.835 1.00 1.11 H new ATOM 0 HB3 TRP A 19 -19.884 -13.691 4.979 1.00 1.11 H new ATOM 0 HD1 TRP A 19 -19.267 -14.092 1.340 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -20.615 -12.375 -0.045 1.00 0.63 H new ATOM 0 HE3 TRP A 19 -20.739 -10.989 5.123 1.00 0.82 H new ATOM 0 HZ2 TRP A 19 -22.124 -9.973 0.460 1.00 0.61 H new ATOM 0 HZ3 TRP A 19 -22.130 -8.994 4.640 1.00 0.86 H new ATOM 0 HH2 TRP A 19 -22.825 -8.484 2.317 1.00 0.79 H new ATOM 274 N GLU A 20 -16.485 -13.912 3.026 1.00 1.20 N ATOM 275 CA GLU A 20 -15.484 -13.950 1.923 1.00 1.30 C ATOM 276 C GLU A 20 -16.190 -14.296 0.609 1.00 1.26 C ATOM 277 O GLU A 20 -17.053 -15.151 0.564 1.00 1.45 O ATOM 278 CB GLU A 20 -14.427 -15.012 2.233 1.00 1.62 C ATOM 279 CG GLU A 20 -13.658 -14.617 3.495 1.00 1.58 C ATOM 280 CD GLU A 20 -12.647 -15.712 3.843 1.00 2.16 C ATOM 281 OE1 GLU A 20 -12.332 -16.500 2.967 1.00 2.58 O ATOM 282 OE2 GLU A 20 -12.206 -15.743 4.980 1.00 2.82 O ATOM 0 H GLU A 20 -16.784 -14.824 3.370 1.00 1.20 H new ATOM 0 HA GLU A 20 -15.003 -12.976 1.831 1.00 1.30 H new ATOM 0 HB2 GLU A 20 -14.902 -15.983 2.373 1.00 1.62 H new ATOM 0 HB3 GLU A 20 -13.740 -15.112 1.393 1.00 1.62 H new ATOM 0 HG2 GLU A 20 -13.143 -13.669 3.338 1.00 1.58 H new ATOM 0 HG3 GLU A 20 -14.350 -14.470 4.324 1.00 1.58 H new ATOM 289 N LYS A 21 -15.832 -13.639 -0.461 1.00 1.32 N ATOM 290 CA LYS A 21 -16.486 -13.932 -1.769 1.00 1.38 C ATOM 291 C LYS A 21 -15.449 -13.816 -2.895 1.00 1.50 C ATOM 292 O LYS A 21 -14.946 -12.741 -3.152 1.00 1.52 O ATOM 293 CB LYS A 21 -17.612 -12.923 -2.010 1.00 1.34 C ATOM 294 CG LYS A 21 -18.249 -13.178 -3.380 1.00 1.49 C ATOM 295 CD LYS A 21 -19.197 -14.377 -3.288 1.00 2.05 C ATOM 296 CE LYS A 21 -20.042 -14.458 -4.560 1.00 2.73 C ATOM 297 NZ LYS A 21 -19.151 -14.399 -5.754 1.00 3.33 N ATOM 0 H LYS A 21 -15.116 -12.913 -0.486 1.00 1.32 H new ATOM 0 HA LYS A 21 -16.896 -14.942 -1.754 1.00 1.38 H new ATOM 0 HB2 LYS A 21 -18.365 -13.009 -1.226 1.00 1.34 H new ATOM 0 HB3 LYS A 21 -17.219 -11.907 -1.964 1.00 1.34 H new ATOM 0 HG2 LYS A 21 -18.795 -12.294 -3.709 1.00 1.49 H new ATOM 0 HG3 LYS A 21 -17.475 -13.369 -4.123 1.00 1.49 H new ATOM 0 HD2 LYS A 21 -18.626 -15.296 -3.159 1.00 2.05 H new ATOM 0 HD3 LYS A 21 -19.843 -14.278 -2.415 1.00 2.05 H new ATOM 0 HE2 LYS A 21 -20.618 -15.383 -4.568 1.00 2.73 H new ATOM 0 HE3 LYS A 21 -20.758 -13.637 -4.586 1.00 2.73 H new ATOM 0 HZ1 LYS A 21 -19.646 -14.800 -6.576 1.00 3.33 H new ATOM 0 HZ2 LYS A 21 -18.899 -13.409 -5.950 1.00 3.33 H new ATOM 0 HZ3 LYS A 21 -18.286 -14.947 -5.569 1.00 3.33 H new ATOM 311 N PRO A 22 -15.158 -14.922 -3.535 1.00 1.64 N ATOM 312 CA PRO A 22 -14.180 -14.952 -4.640 1.00 1.82 C ATOM 313 C PRO A 22 -14.667 -14.074 -5.798 1.00 1.83 C ATOM 314 O PRO A 22 -15.762 -14.243 -6.297 1.00 1.87 O ATOM 315 CB PRO A 22 -14.118 -16.425 -5.070 1.00 1.97 C ATOM 316 CG PRO A 22 -15.131 -17.213 -4.200 1.00 1.87 C ATOM 317 CD PRO A 22 -15.770 -16.224 -3.213 1.00 1.66 C ATOM 0 HA PRO A 22 -13.203 -14.572 -4.342 1.00 1.82 H new ATOM 0 HB2 PRO A 22 -14.363 -16.525 -6.127 1.00 1.97 H new ATOM 0 HB3 PRO A 22 -13.111 -16.820 -4.937 1.00 1.97 H new ATOM 0 HG2 PRO A 22 -15.894 -17.675 -4.826 1.00 1.87 H new ATOM 0 HG3 PRO A 22 -14.629 -18.018 -3.663 1.00 1.87 H new ATOM 0 HD2 PRO A 22 -16.853 -16.192 -3.331 1.00 1.66 H new ATOM 0 HD3 PRO A 22 -15.570 -16.511 -2.181 1.00 1.66 H new ATOM 325 N TYR A 23 -13.867 -13.137 -6.228 1.00 1.98 N ATOM 326 CA TYR A 23 -14.294 -12.254 -7.351 1.00 2.03 C ATOM 327 C TYR A 23 -14.339 -13.071 -8.656 1.00 2.21 C ATOM 328 O TYR A 23 -15.071 -14.036 -8.757 1.00 2.28 O ATOM 329 CB TYR A 23 -13.309 -11.083 -7.477 1.00 2.13 C ATOM 330 CG TYR A 23 -13.916 -9.972 -8.313 1.00 2.22 C ATOM 331 CD1 TYR A 23 -15.199 -10.113 -8.865 1.00 2.53 C ATOM 332 CD2 TYR A 23 -13.189 -8.795 -8.533 1.00 2.59 C ATOM 333 CE1 TYR A 23 -15.751 -9.078 -9.631 1.00 2.63 C ATOM 334 CE2 TYR A 23 -13.743 -7.760 -9.299 1.00 2.69 C ATOM 335 CZ TYR A 23 -15.023 -7.902 -9.848 1.00 2.44 C ATOM 336 OH TYR A 23 -15.567 -6.881 -10.601 1.00 2.58 O ATOM 0 H TYR A 23 -12.939 -12.945 -5.852 1.00 1.98 H new ATOM 0 HA TYR A 23 -15.290 -11.855 -7.156 1.00 2.03 H new ATOM 0 HB2 TYR A 23 -13.055 -10.705 -6.487 1.00 2.13 H new ATOM 0 HB3 TYR A 23 -12.382 -11.427 -7.935 1.00 2.13 H new ATOM 0 HD1 TYR A 23 -15.761 -11.020 -8.699 1.00 2.53 H new ATOM 0 HD2 TYR A 23 -12.201 -8.685 -8.112 1.00 2.59 H new ATOM 0 HE1 TYR A 23 -16.739 -9.187 -10.054 1.00 2.63 H new ATOM 0 HE2 TYR A 23 -13.182 -6.852 -9.466 1.00 2.69 H new ATOM 0 HH TYR A 23 -14.931 -6.137 -10.652 1.00 2.58 H new ATOM 346 N GLN A 24 -13.575 -12.702 -9.656 1.00 2.48 N ATOM 347 CA GLN A 24 -13.600 -13.468 -10.934 1.00 2.68 C ATOM 348 C GLN A 24 -13.588 -14.970 -10.640 1.00 2.72 C ATOM 349 O GLN A 24 -14.622 -15.599 -10.537 1.00 2.99 O ATOM 350 CB GLN A 24 -12.366 -13.106 -11.766 1.00 2.79 C ATOM 351 CG GLN A 24 -12.539 -11.709 -12.366 1.00 2.96 C ATOM 352 CD GLN A 24 -11.753 -11.617 -13.676 1.00 3.34 C ATOM 353 OE1 GLN A 24 -10.566 -11.360 -13.669 1.00 3.67 O ATOM 354 NE2 GLN A 24 -12.369 -11.820 -14.810 1.00 3.84 N ATOM 0 H GLN A 24 -12.938 -11.905 -9.639 1.00 2.48 H new ATOM 0 HA GLN A 24 -14.505 -13.216 -11.486 1.00 2.68 H new ATOM 0 HB2 GLN A 24 -11.473 -13.136 -11.142 1.00 2.79 H new ATOM 0 HB3 GLN A 24 -12.224 -13.838 -12.561 1.00 2.79 H new ATOM 0 HG2 GLN A 24 -13.595 -11.507 -12.548 1.00 2.96 H new ATOM 0 HG3 GLN A 24 -12.187 -10.953 -11.664 1.00 2.96 H new ATOM 0 HE21 GLN A 24 -13.366 -12.036 -14.817 1.00 3.84 H new ATOM 0 HE22 GLN A 24 -11.853 -11.763 -15.688 1.00 3.84 H new ATOM 363 N GLY A 25 -12.428 -15.553 -10.510 1.00 2.73 N ATOM 364 CA GLY A 25 -12.362 -17.017 -10.230 1.00 2.82 C ATOM 365 C GLY A 25 -11.437 -17.282 -9.043 1.00 2.74 C ATOM 366 O GLY A 25 -11.746 -18.054 -8.157 1.00 2.98 O ATOM 0 H GLY A 25 -11.526 -15.082 -10.585 1.00 2.73 H new ATOM 0 HA2 GLY A 25 -13.360 -17.400 -10.016 1.00 2.82 H new ATOM 0 HA3 GLY A 25 -11.999 -17.548 -11.110 1.00 2.82 H new ATOM 370 N TRP A 26 -10.302 -16.651 -9.026 1.00 2.56 N ATOM 371 CA TRP A 26 -9.341 -16.857 -7.915 1.00 2.56 C ATOM 372 C TRP A 26 -9.407 -15.666 -6.962 1.00 2.47 C ATOM 373 O TRP A 26 -9.295 -15.807 -5.760 1.00 2.64 O ATOM 374 CB TRP A 26 -7.936 -16.955 -8.502 1.00 2.64 C ATOM 375 CG TRP A 26 -7.672 -15.752 -9.348 1.00 2.51 C ATOM 376 CD1 TRP A 26 -8.014 -15.626 -10.651 1.00 2.55 C ATOM 377 CD2 TRP A 26 -7.022 -14.504 -8.972 1.00 2.36 C ATOM 378 NE1 TRP A 26 -7.614 -14.379 -11.099 1.00 2.47 N ATOM 379 CE2 TRP A 26 -6.998 -13.650 -10.100 1.00 2.35 C ATOM 380 CE3 TRP A 26 -6.457 -14.035 -7.773 1.00 2.26 C ATOM 381 CZ2 TRP A 26 -6.432 -12.376 -10.040 1.00 2.27 C ATOM 382 CZ3 TRP A 26 -5.886 -12.754 -7.708 1.00 2.14 C ATOM 383 CH2 TRP A 26 -5.875 -11.925 -8.840 1.00 2.15 C ATOM 0 H TRP A 26 -9.996 -15.993 -9.743 1.00 2.56 H new ATOM 0 HA TRP A 26 -9.586 -17.769 -7.371 1.00 2.56 H new ATOM 0 HB2 TRP A 26 -7.199 -17.021 -7.702 1.00 2.64 H new ATOM 0 HB3 TRP A 26 -7.841 -17.862 -9.099 1.00 2.64 H new ATOM 0 HD1 TRP A 26 -8.517 -16.376 -11.244 1.00 2.55 H new ATOM 0 HE1 TRP A 26 -7.757 -14.040 -12.050 1.00 2.47 H new ATOM 0 HE3 TRP A 26 -6.462 -14.665 -6.896 1.00 2.26 H new ATOM 0 HZ2 TRP A 26 -6.424 -11.743 -10.915 1.00 2.27 H new ATOM 0 HZ3 TRP A 26 -5.453 -12.405 -6.782 1.00 2.14 H new ATOM 0 HH2 TRP A 26 -5.437 -10.940 -8.784 1.00 2.15 H new ATOM 394 N MET A 27 -9.584 -14.491 -7.495 1.00 2.34 N ATOM 395 CA MET A 27 -9.655 -13.282 -6.632 1.00 2.29 C ATOM 396 C MET A 27 -10.589 -13.543 -5.452 1.00 2.17 C ATOM 397 O MET A 27 -11.446 -14.403 -5.500 1.00 2.34 O ATOM 398 CB MET A 27 -10.197 -12.106 -7.445 1.00 2.38 C ATOM 399 CG MET A 27 -9.034 -11.271 -7.982 1.00 2.44 C ATOM 400 SD MET A 27 -9.678 -9.723 -8.665 1.00 2.86 S ATOM 401 CE MET A 27 -8.081 -8.948 -9.013 1.00 3.03 C ATOM 0 H MET A 27 -9.683 -14.316 -8.495 1.00 2.34 H new ATOM 0 HA MET A 27 -8.656 -13.048 -6.263 1.00 2.29 H new ATOM 0 HB2 MET A 27 -10.806 -12.473 -8.271 1.00 2.38 H new ATOM 0 HB3 MET A 27 -10.844 -11.488 -6.822 1.00 2.38 H new ATOM 0 HG2 MET A 27 -8.322 -11.062 -7.184 1.00 2.44 H new ATOM 0 HG3 MET A 27 -8.497 -11.826 -8.751 1.00 2.44 H new ATOM 0 HE1 MET A 27 -8.227 -7.886 -9.211 1.00 3.03 H new ATOM 0 HE2 MET A 27 -7.422 -9.070 -8.153 1.00 3.03 H new ATOM 0 HE3 MET A 27 -7.630 -9.421 -9.885 1.00 3.03 H new ATOM 411 N MET A 28 -10.435 -12.795 -4.398 1.00 2.03 N ATOM 412 CA MET A 28 -11.316 -12.974 -3.211 1.00 1.92 C ATOM 413 C MET A 28 -11.281 -11.697 -2.383 1.00 1.89 C ATOM 414 O MET A 28 -10.235 -11.131 -2.131 1.00 2.10 O ATOM 415 CB MET A 28 -10.837 -14.147 -2.352 1.00 1.94 C ATOM 416 CG MET A 28 -9.347 -14.370 -2.580 1.00 2.02 C ATOM 417 SD MET A 28 -8.791 -15.805 -1.624 1.00 2.23 S ATOM 418 CE MET A 28 -10.030 -16.981 -2.221 1.00 2.79 C ATOM 0 H MET A 28 -9.732 -12.062 -4.306 1.00 2.03 H new ATOM 0 HA MET A 28 -12.331 -13.185 -3.548 1.00 1.92 H new ATOM 0 HB2 MET A 28 -11.028 -13.942 -1.299 1.00 1.94 H new ATOM 0 HB3 MET A 28 -11.394 -15.049 -2.607 1.00 1.94 H new ATOM 0 HG2 MET A 28 -9.151 -14.529 -3.640 1.00 2.02 H new ATOM 0 HG3 MET A 28 -8.787 -13.483 -2.282 1.00 2.02 H new ATOM 0 HE1 MET A 28 -9.623 -17.991 -2.180 1.00 2.79 H new ATOM 0 HE2 MET A 28 -10.919 -16.922 -1.593 1.00 2.79 H new ATOM 0 HE3 MET A 28 -10.296 -16.739 -3.250 1.00 2.79 H new ATOM 428 N VAL A 29 -12.416 -11.237 -1.965 1.00 1.73 N ATOM 429 CA VAL A 29 -12.462 -9.990 -1.157 1.00 1.70 C ATOM 430 C VAL A 29 -13.501 -10.141 -0.046 1.00 1.46 C ATOM 431 O VAL A 29 -14.320 -11.039 -0.065 1.00 1.42 O ATOM 432 CB VAL A 29 -12.841 -8.817 -2.063 1.00 1.77 C ATOM 433 CG1 VAL A 29 -11.764 -8.633 -3.132 1.00 2.02 C ATOM 434 CG2 VAL A 29 -14.183 -9.110 -2.740 1.00 1.71 C ATOM 0 H VAL A 29 -13.322 -11.670 -2.147 1.00 1.73 H new ATOM 0 HA VAL A 29 -11.485 -9.804 -0.711 1.00 1.70 H new ATOM 0 HB VAL A 29 -12.923 -7.908 -1.467 1.00 1.77 H new ATOM 0 HG11 VAL A 29 -12.032 -7.798 -3.779 1.00 2.02 H new ATOM 0 HG12 VAL A 29 -10.807 -8.428 -2.653 1.00 2.02 H new ATOM 0 HG13 VAL A 29 -11.684 -9.542 -3.728 1.00 2.02 H new ATOM 0 HG21 VAL A 29 -14.455 -8.275 -3.386 1.00 1.71 H new ATOM 0 HG22 VAL A 29 -14.099 -10.018 -3.337 1.00 1.71 H new ATOM 0 HG23 VAL A 29 -14.952 -9.246 -1.980 1.00 1.71 H new ATOM 444 N ASP A 30 -13.475 -9.269 0.924 1.00 1.38 N ATOM 445 CA ASP A 30 -14.461 -9.363 2.035 1.00 1.19 C ATOM 446 C ASP A 30 -15.742 -8.631 1.639 1.00 1.02 C ATOM 447 O ASP A 30 -15.782 -7.417 1.580 1.00 1.14 O ATOM 448 CB ASP A 30 -13.877 -8.722 3.294 1.00 1.28 C ATOM 449 CG ASP A 30 -13.549 -9.812 4.316 1.00 1.68 C ATOM 450 OD1 ASP A 30 -12.492 -10.409 4.197 1.00 2.38 O ATOM 451 OD2 ASP A 30 -14.361 -10.032 5.200 1.00 2.15 O ATOM 0 H ASP A 30 -12.813 -8.496 0.995 1.00 1.38 H new ATOM 0 HA ASP A 30 -14.685 -10.411 2.233 1.00 1.19 H new ATOM 0 HB2 ASP A 30 -12.977 -8.160 3.045 1.00 1.28 H new ATOM 0 HB3 ASP A 30 -14.589 -8.013 3.718 1.00 1.28 H new ATOM 456 N CYS A 31 -16.792 -9.356 1.369 1.00 0.85 N ATOM 457 CA CYS A 31 -18.067 -8.701 0.982 1.00 0.77 C ATOM 458 C CYS A 31 -18.865 -8.388 2.248 1.00 0.69 C ATOM 459 O CYS A 31 -19.268 -9.276 2.972 1.00 0.66 O ATOM 460 CB CYS A 31 -18.872 -9.648 0.091 1.00 0.69 C ATOM 461 SG CYS A 31 -18.261 -9.551 -1.611 1.00 1.03 S ATOM 0 H CYS A 31 -16.819 -10.375 1.400 1.00 0.85 H new ATOM 0 HA CYS A 31 -17.863 -7.779 0.437 1.00 0.77 H new ATOM 0 HB2 CYS A 31 -18.788 -10.670 0.460 1.00 0.69 H new ATOM 0 HB3 CYS A 31 -19.929 -9.383 0.124 1.00 0.69 H new ATOM 466 N THR A 32 -19.092 -7.136 2.529 1.00 0.90 N ATOM 467 CA THR A 32 -19.856 -6.782 3.754 1.00 1.00 C ATOM 468 C THR A 32 -21.259 -6.317 3.367 1.00 1.14 C ATOM 469 O THR A 32 -21.458 -5.694 2.345 1.00 1.26 O ATOM 470 CB THR A 32 -19.128 -5.660 4.502 1.00 1.23 C ATOM 471 OG1 THR A 32 -17.836 -6.110 4.885 1.00 1.18 O ATOM 472 CG2 THR A 32 -19.924 -5.270 5.748 1.00 1.41 C ATOM 0 H THR A 32 -18.782 -6.345 1.964 1.00 0.90 H new ATOM 0 HA THR A 32 -19.934 -7.657 4.400 1.00 1.00 H new ATOM 0 HB THR A 32 -19.034 -4.792 3.850 1.00 1.23 H new ATOM 0 HG1 THR A 32 -17.757 -6.085 5.861 1.00 1.18 H new ATOM 0 HG21 THR A 32 -19.403 -4.472 6.277 1.00 1.41 H new ATOM 0 HG22 THR A 32 -20.915 -4.924 5.453 1.00 1.41 H new ATOM 0 HG23 THR A 32 -20.022 -6.136 6.403 1.00 1.41 H new ATOM 480 N CYS A 33 -22.233 -6.619 4.178 1.00 1.26 N ATOM 481 CA CYS A 33 -23.626 -6.200 3.861 1.00 1.46 C ATOM 482 C CYS A 33 -23.944 -4.891 4.581 1.00 1.76 C ATOM 483 O CYS A 33 -23.589 -4.692 5.726 1.00 1.83 O ATOM 484 CB CYS A 33 -24.601 -7.287 4.319 1.00 1.49 C ATOM 485 SG CYS A 33 -26.298 -6.667 4.211 1.00 1.82 S ATOM 0 H CYS A 33 -22.124 -7.139 5.049 1.00 1.26 H new ATOM 0 HA CYS A 33 -23.725 -6.053 2.786 1.00 1.46 H new ATOM 0 HB2 CYS A 33 -24.488 -8.176 3.698 1.00 1.49 H new ATOM 0 HB3 CYS A 33 -24.376 -7.583 5.344 1.00 1.49 H new ATOM 490 N LEU A 34 -24.624 -4.004 3.915 1.00 2.00 N ATOM 491 CA LEU A 34 -24.988 -2.708 4.550 1.00 2.31 C ATOM 492 C LEU A 34 -26.494 -2.477 4.394 1.00 2.50 C ATOM 493 O LEU A 34 -27.037 -1.510 4.889 1.00 2.75 O ATOM 494 CB LEU A 34 -24.211 -1.548 3.906 1.00 2.45 C ATOM 495 CG LEU A 34 -23.944 -1.820 2.420 1.00 2.33 C ATOM 496 CD1 LEU A 34 -24.606 -0.728 1.579 1.00 2.70 C ATOM 497 CD2 LEU A 34 -22.435 -1.808 2.168 1.00 2.55 C ATOM 0 H LEU A 34 -24.945 -4.120 2.954 1.00 2.00 H new ATOM 0 HA LEU A 34 -24.727 -2.747 5.608 1.00 2.31 H new ATOM 0 HB2 LEU A 34 -24.777 -0.623 4.014 1.00 2.45 H new ATOM 0 HB3 LEU A 34 -23.265 -1.405 4.429 1.00 2.45 H new ATOM 0 HG LEU A 34 -24.354 -2.792 2.146 1.00 2.33 H new ATOM 0 HD11 LEU A 34 -24.418 -0.918 0.522 1.00 2.70 H new ATOM 0 HD12 LEU A 34 -25.680 -0.729 1.762 1.00 2.70 H new ATOM 0 HD13 LEU A 34 -24.192 0.243 1.852 1.00 2.70 H new ATOM 0 HD21 LEU A 34 -22.241 -2.001 1.113 1.00 2.55 H new ATOM 0 HD22 LEU A 34 -22.029 -0.834 2.440 1.00 2.55 H new ATOM 0 HD23 LEU A 34 -21.959 -2.581 2.772 1.00 2.55 H new ATOM 509 N GLY A 35 -27.172 -3.370 3.722 1.00 2.42 N ATOM 510 CA GLY A 35 -28.646 -3.220 3.543 1.00 2.63 C ATOM 511 C GLY A 35 -28.992 -1.786 3.130 1.00 2.96 C ATOM 512 O GLY A 35 -29.074 -0.896 3.953 1.00 3.16 O ATOM 0 H GLY A 35 -26.767 -4.199 3.288 1.00 2.42 H new ATOM 0 HA2 GLY A 35 -28.999 -3.919 2.785 1.00 2.63 H new ATOM 0 HA3 GLY A 35 -29.159 -3.471 4.471 1.00 2.63 H new ATOM 516 N GLU A 36 -29.209 -1.555 1.863 1.00 3.22 N ATOM 517 CA GLU A 36 -29.561 -0.190 1.410 1.00 3.58 C ATOM 518 C GLU A 36 -31.028 -0.159 0.980 1.00 3.80 C ATOM 519 O GLU A 36 -31.734 0.802 1.210 1.00 4.46 O ATOM 520 CB GLU A 36 -28.670 0.220 0.235 1.00 3.62 C ATOM 521 CG GLU A 36 -27.865 1.460 0.627 1.00 3.83 C ATOM 522 CD GLU A 36 -27.006 1.916 -0.554 1.00 4.35 C ATOM 523 OE1 GLU A 36 -25.883 1.450 -0.659 1.00 4.43 O ATOM 524 OE2 GLU A 36 -27.485 2.724 -1.333 1.00 4.99 O ATOM 0 H GLU A 36 -29.156 -2.258 1.125 1.00 3.22 H new ATOM 0 HA GLU A 36 -29.407 0.510 2.231 1.00 3.58 H new ATOM 0 HB2 GLU A 36 -27.998 -0.596 -0.030 1.00 3.62 H new ATOM 0 HB3 GLU A 36 -29.280 0.430 -0.644 1.00 3.62 H new ATOM 0 HG2 GLU A 36 -28.539 2.262 0.929 1.00 3.83 H new ATOM 0 HG3 GLU A 36 -27.231 1.237 1.485 1.00 3.83 H new ATOM 531 N GLY A 37 -31.492 -1.208 0.361 1.00 3.47 N ATOM 532 CA GLY A 37 -32.905 -1.247 -0.081 1.00 3.73 C ATOM 533 C GLY A 37 -33.239 -2.635 -0.628 1.00 3.69 C ATOM 534 O GLY A 37 -34.289 -3.183 -0.359 1.00 4.03 O ATOM 0 H GLY A 37 -30.947 -2.042 0.143 1.00 3.47 H new ATOM 0 HA2 GLY A 37 -33.563 -1.007 0.754 1.00 3.73 H new ATOM 0 HA3 GLY A 37 -33.076 -0.493 -0.849 1.00 3.73 H new ATOM 538 N SER A 38 -32.356 -3.207 -1.395 1.00 3.38 N ATOM 539 CA SER A 38 -32.624 -4.559 -1.958 1.00 3.43 C ATOM 540 C SER A 38 -31.487 -5.509 -1.575 1.00 3.09 C ATOM 541 O SER A 38 -31.495 -6.673 -1.924 1.00 3.32 O ATOM 542 CB SER A 38 -32.727 -4.468 -3.481 1.00 3.71 C ATOM 543 OG SER A 38 -31.496 -3.991 -4.009 1.00 3.57 O ATOM 0 H SER A 38 -31.459 -2.797 -1.657 1.00 3.38 H new ATOM 0 HA SER A 38 -33.563 -4.939 -1.555 1.00 3.43 H new ATOM 0 HB2 SER A 38 -32.960 -5.447 -3.900 1.00 3.71 H new ATOM 0 HB3 SER A 38 -33.540 -3.799 -3.762 1.00 3.71 H new ATOM 0 HG SER A 38 -31.559 -3.934 -4.985 1.00 3.57 H new ATOM 549 N GLY A 39 -30.511 -5.026 -0.854 1.00 2.69 N ATOM 550 CA GLY A 39 -29.382 -5.908 -0.446 1.00 2.34 C ATOM 551 C GLY A 39 -28.087 -5.439 -1.110 1.00 2.18 C ATOM 552 O GLY A 39 -27.650 -5.993 -2.100 1.00 2.06 O ATOM 0 H GLY A 39 -30.447 -4.061 -0.531 1.00 2.69 H new ATOM 0 HA2 GLY A 39 -29.271 -5.893 0.638 1.00 2.34 H new ATOM 0 HA3 GLY A 39 -29.594 -6.939 -0.730 1.00 2.34 H new ATOM 556 N ARG A 40 -27.465 -4.431 -0.567 1.00 2.24 N ATOM 557 CA ARG A 40 -26.191 -3.932 -1.156 1.00 2.16 C ATOM 558 C ARG A 40 -25.019 -4.584 -0.421 1.00 1.90 C ATOM 559 O ARG A 40 -25.102 -4.882 0.754 1.00 2.05 O ATOM 560 CB ARG A 40 -26.114 -2.410 -1.000 1.00 2.45 C ATOM 561 CG ARG A 40 -25.017 -1.855 -1.912 1.00 2.81 C ATOM 562 CD ARG A 40 -25.607 -1.540 -3.289 1.00 3.01 C ATOM 563 NE ARG A 40 -24.833 -0.434 -3.922 1.00 3.33 N ATOM 564 CZ ARG A 40 -24.954 -0.203 -5.201 1.00 3.56 C ATOM 565 NH1 ARG A 40 -24.515 -1.075 -6.067 1.00 3.90 N ATOM 566 NH2 ARG A 40 -25.514 0.899 -5.616 1.00 3.97 N ATOM 0 H ARG A 40 -27.785 -3.929 0.262 1.00 2.24 H new ATOM 0 HA ARG A 40 -26.149 -4.184 -2.216 1.00 2.16 H new ATOM 0 HB2 ARG A 40 -27.074 -1.959 -1.253 1.00 2.45 H new ATOM 0 HB3 ARG A 40 -25.904 -2.151 0.038 1.00 2.45 H new ATOM 0 HG2 ARG A 40 -24.587 -0.954 -1.474 1.00 2.81 H new ATOM 0 HG3 ARG A 40 -24.209 -2.580 -2.008 1.00 2.81 H new ATOM 0 HD2 ARG A 40 -25.576 -2.428 -3.921 1.00 3.01 H new ATOM 0 HD3 ARG A 40 -26.654 -1.255 -3.191 1.00 3.01 H new ATOM 0 HE ARG A 40 -24.209 0.142 -3.356 1.00 3.33 H new ATOM 0 HH11 ARG A 40 -24.077 -1.938 -5.745 1.00 3.90 H new ATOM 0 HH12 ARG A 40 -24.610 -0.894 -7.066 1.00 3.90 H new ATOM 0 HH21 ARG A 40 -25.858 1.582 -4.941 1.00 3.97 H new ATOM 0 HH22 ARG A 40 -25.608 1.078 -6.616 1.00 3.97 H new ATOM 580 N ILE A 41 -23.930 -4.819 -1.100 1.00 1.63 N ATOM 581 CA ILE A 41 -22.767 -5.465 -0.430 1.00 1.39 C ATOM 582 C ILE A 41 -21.475 -4.734 -0.806 1.00 1.51 C ATOM 583 O ILE A 41 -21.042 -4.762 -1.941 1.00 1.59 O ATOM 584 CB ILE A 41 -22.677 -6.923 -0.879 1.00 1.13 C ATOM 585 CG1 ILE A 41 -23.873 -7.701 -0.324 1.00 1.09 C ATOM 586 CG2 ILE A 41 -21.381 -7.544 -0.357 1.00 0.96 C ATOM 587 CD1 ILE A 41 -24.935 -7.852 -1.413 1.00 1.27 C ATOM 0 H ILE A 41 -23.796 -4.593 -2.085 1.00 1.63 H new ATOM 0 HA ILE A 41 -22.900 -5.418 0.651 1.00 1.39 H new ATOM 0 HB ILE A 41 -22.685 -6.966 -1.968 1.00 1.13 H new ATOM 0 HG12 ILE A 41 -23.552 -8.683 0.024 1.00 1.09 H new ATOM 0 HG13 ILE A 41 -24.292 -7.179 0.537 1.00 1.09 H new ATOM 0 HG21 ILE A 41 -21.320 -8.584 -0.679 1.00 0.96 H new ATOM 0 HG22 ILE A 41 -20.528 -6.991 -0.751 1.00 0.96 H new ATOM 0 HG23 ILE A 41 -21.369 -7.500 0.732 1.00 0.96 H new ATOM 0 HD11 ILE A 41 -25.786 -8.406 -1.017 1.00 1.27 H new ATOM 0 HD12 ILE A 41 -25.264 -6.866 -1.739 1.00 1.27 H new ATOM 0 HD13 ILE A 41 -24.513 -8.392 -2.260 1.00 1.27 H new ATOM 599 N THR A 42 -20.854 -4.082 0.140 1.00 1.57 N ATOM 600 CA THR A 42 -19.588 -3.355 -0.162 1.00 1.74 C ATOM 601 C THR A 42 -18.410 -4.332 -0.102 1.00 1.53 C ATOM 602 O THR A 42 -17.839 -4.571 0.944 1.00 1.48 O ATOM 603 CB THR A 42 -19.383 -2.239 0.866 1.00 1.96 C ATOM 604 OG1 THR A 42 -18.230 -1.485 0.518 1.00 2.19 O ATOM 605 CG2 THR A 42 -19.196 -2.848 2.257 1.00 1.78 C ATOM 0 H THR A 42 -21.169 -4.022 1.108 1.00 1.57 H new ATOM 0 HA THR A 42 -19.647 -2.921 -1.160 1.00 1.74 H new ATOM 0 HB THR A 42 -20.257 -1.587 0.874 1.00 1.96 H new ATOM 0 HG1 THR A 42 -18.097 -0.769 1.174 1.00 2.19 H new ATOM 0 HG21 THR A 42 -19.050 -2.051 2.986 1.00 1.78 H new ATOM 0 HG22 THR A 42 -20.081 -3.426 2.523 1.00 1.78 H new ATOM 0 HG23 THR A 42 -18.323 -3.501 2.254 1.00 1.78 H new ATOM 613 N CYS A 43 -18.041 -4.901 -1.217 1.00 1.56 N ATOM 614 CA CYS A 43 -16.903 -5.861 -1.218 1.00 1.44 C ATOM 615 C CYS A 43 -15.592 -5.102 -1.410 1.00 1.66 C ATOM 616 O CYS A 43 -15.452 -4.298 -2.309 1.00 1.98 O ATOM 617 CB CYS A 43 -17.083 -6.867 -2.355 1.00 1.43 C ATOM 618 SG CYS A 43 -18.699 -7.668 -2.195 1.00 1.55 S ATOM 0 H CYS A 43 -18.478 -4.743 -2.125 1.00 1.56 H new ATOM 0 HA CYS A 43 -16.877 -6.391 -0.266 1.00 1.44 H new ATOM 0 HB2 CYS A 43 -17.008 -6.362 -3.318 1.00 1.43 H new ATOM 0 HB3 CYS A 43 -16.290 -7.614 -2.324 1.00 1.43 H new ATOM 623 N THR A 44 -14.631 -5.353 -0.567 1.00 1.55 N ATOM 624 CA THR A 44 -13.324 -4.648 -0.694 1.00 1.78 C ATOM 625 C THR A 44 -12.205 -5.560 -0.194 1.00 1.72 C ATOM 626 O THR A 44 -12.393 -6.351 0.709 1.00 1.52 O ATOM 627 CB THR A 44 -13.350 -3.370 0.149 1.00 1.73 C ATOM 628 OG1 THR A 44 -14.680 -2.873 0.211 1.00 2.01 O ATOM 629 CG2 THR A 44 -12.438 -2.318 -0.485 1.00 2.41 C ATOM 0 H THR A 44 -14.693 -6.016 0.205 1.00 1.55 H new ATOM 0 HA THR A 44 -13.149 -4.393 -1.739 1.00 1.78 H new ATOM 0 HB THR A 44 -12.997 -3.592 1.156 1.00 1.73 H new ATOM 0 HG1 THR A 44 -14.699 -2.056 0.752 1.00 2.01 H new ATOM 0 HG21 THR A 44 -12.458 -1.409 0.116 1.00 2.41 H new ATOM 0 HG22 THR A 44 -11.418 -2.701 -0.531 1.00 2.41 H new ATOM 0 HG23 THR A 44 -12.787 -2.094 -1.493 1.00 2.41 H new ATOM 637 N SER A 45 -11.039 -5.456 -0.769 1.00 2.10 N ATOM 638 CA SER A 45 -9.912 -6.318 -0.319 1.00 2.26 C ATOM 639 C SER A 45 -8.848 -5.447 0.359 1.00 2.43 C ATOM 640 O SER A 45 -7.951 -4.930 -0.277 1.00 2.77 O ATOM 641 CB SER A 45 -9.309 -7.043 -1.526 1.00 2.67 C ATOM 642 OG SER A 45 -8.330 -6.216 -2.141 1.00 3.32 O ATOM 0 H SER A 45 -10.819 -4.813 -1.529 1.00 2.10 H new ATOM 0 HA SER A 45 -10.275 -7.059 0.393 1.00 2.26 H new ATOM 0 HB2 SER A 45 -8.858 -7.983 -1.210 1.00 2.67 H new ATOM 0 HB3 SER A 45 -10.092 -7.290 -2.243 1.00 2.67 H new ATOM 0 HG SER A 45 -7.605 -6.039 -1.505 1.00 3.32 H new ATOM 648 N ARG A 46 -8.944 -5.277 1.649 1.00 2.46 N ATOM 649 CA ARG A 46 -7.942 -4.439 2.365 1.00 2.71 C ATOM 650 C ARG A 46 -6.956 -5.356 3.103 1.00 2.66 C ATOM 651 O ARG A 46 -5.851 -4.966 3.425 1.00 2.78 O ATOM 652 CB ARG A 46 -8.682 -3.496 3.345 1.00 3.13 C ATOM 653 CG ARG A 46 -8.273 -3.762 4.803 1.00 3.46 C ATOM 654 CD ARG A 46 -8.876 -2.686 5.710 1.00 3.42 C ATOM 655 NE ARG A 46 -9.497 -3.328 6.903 1.00 4.05 N ATOM 656 CZ ARG A 46 -9.787 -2.610 7.953 1.00 4.47 C ATOM 657 NH1 ARG A 46 -8.853 -1.925 8.554 1.00 4.43 N ATOM 658 NH2 ARG A 46 -11.011 -2.579 8.404 1.00 5.29 N ATOM 0 H ARG A 46 -9.672 -5.682 2.237 1.00 2.46 H new ATOM 0 HA ARG A 46 -7.377 -3.827 1.662 1.00 2.71 H new ATOM 0 HB2 ARG A 46 -8.463 -2.459 3.088 1.00 3.13 H new ATOM 0 HB3 ARG A 46 -9.758 -3.631 3.238 1.00 3.13 H new ATOM 0 HG2 ARG A 46 -8.617 -4.748 5.114 1.00 3.46 H new ATOM 0 HG3 ARG A 46 -7.187 -3.761 4.893 1.00 3.46 H new ATOM 0 HD2 ARG A 46 -8.102 -1.985 6.023 1.00 3.42 H new ATOM 0 HD3 ARG A 46 -9.624 -2.112 5.163 1.00 3.42 H new ATOM 0 HE ARG A 46 -9.695 -4.329 6.899 1.00 4.05 H new ATOM 0 HH11 ARG A 46 -7.896 -1.951 8.203 1.00 4.43 H new ATOM 0 HH12 ARG A 46 -9.080 -1.364 9.375 1.00 4.43 H new ATOM 0 HH21 ARG A 46 -11.741 -3.116 7.936 1.00 5.29 H new ATOM 0 HH22 ARG A 46 -11.238 -2.018 9.225 1.00 5.29 H new ATOM 672 N ASN A 47 -7.352 -6.570 3.373 1.00 2.62 N ATOM 673 CA ASN A 47 -6.444 -7.507 4.091 1.00 2.60 C ATOM 674 C ASN A 47 -6.210 -8.758 3.233 1.00 2.46 C ATOM 675 O ASN A 47 -5.678 -9.748 3.697 1.00 2.49 O ATOM 676 CB ASN A 47 -7.081 -7.905 5.425 1.00 2.77 C ATOM 677 CG ASN A 47 -6.379 -7.170 6.569 1.00 3.03 C ATOM 678 OD1 ASN A 47 -5.182 -6.962 6.529 1.00 3.33 O ATOM 679 ND2 ASN A 47 -7.076 -6.766 7.597 1.00 3.32 N ATOM 0 H ASN A 47 -8.265 -6.953 3.127 1.00 2.62 H new ATOM 0 HA ASN A 47 -5.487 -7.019 4.277 1.00 2.60 H new ATOM 0 HB2 ASN A 47 -8.143 -7.660 5.420 1.00 2.77 H new ATOM 0 HB3 ASN A 47 -7.003 -8.983 5.570 1.00 2.77 H new ATOM 0 HD21 ASN A 47 -6.616 -6.277 8.365 1.00 3.32 H new ATOM 0 HD22 ASN A 47 -8.080 -6.940 7.632 1.00 3.32 H new ATOM 686 N ARG A 48 -6.595 -8.718 1.984 1.00 2.52 N ATOM 687 CA ARG A 48 -6.386 -9.902 1.094 1.00 2.40 C ATOM 688 C ARG A 48 -5.696 -9.448 -0.197 1.00 2.20 C ATOM 689 O ARG A 48 -6.297 -9.422 -1.252 1.00 2.30 O ATOM 690 CB ARG A 48 -7.737 -10.529 0.728 1.00 2.62 C ATOM 691 CG ARG A 48 -8.093 -11.660 1.702 1.00 2.90 C ATOM 692 CD ARG A 48 -7.064 -12.786 1.605 1.00 2.76 C ATOM 693 NE ARG A 48 -7.744 -14.136 1.648 1.00 3.23 N ATOM 694 CZ ARG A 48 -8.474 -14.544 2.670 1.00 3.58 C ATOM 695 NH1 ARG A 48 -9.308 -13.751 3.294 1.00 3.76 N ATOM 696 NH2 ARG A 48 -8.373 -15.782 3.071 1.00 4.27 N ATOM 0 H ARG A 48 -7.045 -7.917 1.541 1.00 2.52 H new ATOM 0 HA ARG A 48 -5.771 -10.634 1.618 1.00 2.40 H new ATOM 0 HB2 ARG A 48 -8.515 -9.766 0.749 1.00 2.62 H new ATOM 0 HB3 ARG A 48 -7.699 -10.917 -0.290 1.00 2.62 H new ATOM 0 HG2 ARG A 48 -8.126 -11.275 2.721 1.00 2.90 H new ATOM 0 HG3 ARG A 48 -9.087 -12.046 1.475 1.00 2.90 H new ATOM 0 HD2 ARG A 48 -6.497 -12.688 0.679 1.00 2.76 H new ATOM 0 HD3 ARG A 48 -6.351 -12.706 2.426 1.00 2.76 H new ATOM 0 HE ARG A 48 -7.634 -14.761 0.850 1.00 3.23 H new ATOM 0 HH11 ARG A 48 -9.411 -12.781 2.994 1.00 3.76 H new ATOM 0 HH12 ARG A 48 -9.855 -14.103 4.080 1.00 3.76 H new ATOM 0 HH21 ARG A 48 -7.736 -16.422 2.596 1.00 4.27 H new ATOM 0 HH22 ARG A 48 -8.931 -16.110 3.859 1.00 4.27 H new ATOM 710 N CYS A 49 -4.443 -9.088 -0.129 1.00 1.97 N ATOM 711 CA CYS A 49 -3.734 -8.641 -1.363 1.00 1.80 C ATOM 712 C CYS A 49 -4.042 -9.615 -2.505 1.00 1.85 C ATOM 713 O CYS A 49 -4.035 -10.816 -2.324 1.00 2.00 O ATOM 714 CB CYS A 49 -2.226 -8.618 -1.105 1.00 1.50 C ATOM 715 SG CYS A 49 -1.856 -7.431 0.210 1.00 1.54 S ATOM 0 H CYS A 49 -3.882 -9.084 0.723 1.00 1.97 H new ATOM 0 HA CYS A 49 -4.070 -7.641 -1.635 1.00 1.80 H new ATOM 0 HB2 CYS A 49 -1.880 -9.612 -0.820 1.00 1.50 H new ATOM 0 HB3 CYS A 49 -1.695 -8.344 -2.016 1.00 1.50 H new ATOM 720 N ASN A 50 -4.312 -9.111 -3.679 1.00 1.87 N ATOM 721 CA ASN A 50 -4.617 -10.016 -4.825 1.00 1.95 C ATOM 722 C ASN A 50 -3.823 -9.569 -6.053 1.00 1.67 C ATOM 723 O ASN A 50 -3.893 -8.430 -6.469 1.00 2.14 O ATOM 724 CB ASN A 50 -6.116 -9.968 -5.140 1.00 2.41 C ATOM 725 CG ASN A 50 -6.672 -8.583 -4.804 1.00 2.80 C ATOM 726 OD1 ASN A 50 -6.804 -7.696 -5.753 1.00 3.01 O flip ATOM 727 ND2 ASN A 50 -6.994 -8.305 -3.665 1.00 3.36 N flip ATOM 0 H ASN A 50 -4.335 -8.114 -3.894 1.00 1.87 H new ATOM 0 HA ASN A 50 -4.338 -11.036 -4.561 1.00 1.95 H new ATOM 0 HB2 ASN A 50 -6.283 -10.191 -6.194 1.00 2.41 H new ATOM 0 HB3 ASN A 50 -6.642 -10.730 -4.566 1.00 2.41 H new ATOM 0 HD21 ASN A 50 -6.891 -8.997 -2.923 1.00 3.36 H new ATOM 0 HD22 ASN A 50 -7.367 -7.380 -3.452 1.00 3.36 H new ATOM 734 N ASP A 51 -3.068 -10.458 -6.636 1.00 1.63 N ATOM 735 CA ASP A 51 -2.268 -10.087 -7.837 1.00 1.32 C ATOM 736 C ASP A 51 -2.937 -10.656 -9.090 1.00 1.44 C ATOM 737 O ASP A 51 -3.282 -11.819 -9.145 1.00 1.58 O ATOM 738 CB ASP A 51 -0.856 -10.660 -7.705 1.00 1.04 C ATOM 739 CG ASP A 51 -0.036 -10.293 -8.944 1.00 1.83 C ATOM 740 OD1 ASP A 51 -0.204 -9.190 -9.438 1.00 2.30 O ATOM 741 OD2 ASP A 51 0.748 -11.122 -9.377 1.00 2.58 O ATOM 0 H ASP A 51 -2.970 -11.427 -6.332 1.00 1.63 H new ATOM 0 HA ASP A 51 -2.212 -9.001 -7.917 1.00 1.32 H new ATOM 0 HB2 ASP A 51 -0.375 -10.267 -6.809 1.00 1.04 H new ATOM 0 HB3 ASP A 51 -0.901 -11.743 -7.594 1.00 1.04 H new ATOM 746 N GLN A 52 -3.124 -9.848 -10.098 1.00 1.64 N ATOM 747 CA GLN A 52 -3.773 -10.349 -11.342 1.00 1.76 C ATOM 748 C GLN A 52 -2.705 -10.880 -12.302 1.00 1.62 C ATOM 749 O GLN A 52 -2.988 -11.226 -13.431 1.00 1.71 O ATOM 750 CB GLN A 52 -4.542 -9.208 -12.011 1.00 2.05 C ATOM 751 CG GLN A 52 -5.511 -8.588 -11.003 1.00 2.20 C ATOM 752 CD GLN A 52 -6.419 -7.583 -11.714 1.00 2.66 C ATOM 753 OE1 GLN A 52 -7.625 -7.725 -11.710 1.00 3.26 O ATOM 754 NE2 GLN A 52 -5.886 -6.563 -12.331 1.00 2.92 N ATOM 0 H GLN A 52 -2.856 -8.864 -10.114 1.00 1.64 H new ATOM 0 HA GLN A 52 -4.463 -11.154 -11.091 1.00 1.76 H new ATOM 0 HB2 GLN A 52 -3.847 -8.452 -12.376 1.00 2.05 H new ATOM 0 HB3 GLN A 52 -5.090 -9.582 -12.876 1.00 2.05 H new ATOM 0 HG2 GLN A 52 -6.112 -9.367 -10.534 1.00 2.20 H new ATOM 0 HG3 GLN A 52 -4.955 -8.092 -10.207 1.00 2.20 H new ATOM 0 HE21 GLN A 52 -4.873 -6.442 -12.335 1.00 2.92 H new ATOM 0 HE22 GLN A 52 -6.482 -5.887 -12.808 1.00 2.92 H new ATOM 763 N ASP A 53 -1.478 -10.950 -11.861 1.00 1.49 N ATOM 764 CA ASP A 53 -0.396 -11.461 -12.748 1.00 1.47 C ATOM 765 C ASP A 53 -0.243 -12.969 -12.542 1.00 1.42 C ATOM 766 O ASP A 53 0.110 -13.697 -13.449 1.00 1.60 O ATOM 767 CB ASP A 53 0.920 -10.763 -12.400 1.00 1.41 C ATOM 768 CG ASP A 53 1.346 -9.865 -13.562 1.00 2.08 C ATOM 769 OD1 ASP A 53 0.505 -9.134 -14.059 1.00 2.72 O ATOM 770 OD2 ASP A 53 2.506 -9.922 -13.935 1.00 2.42 O ATOM 0 H ASP A 53 -1.179 -10.675 -10.925 1.00 1.49 H new ATOM 0 HA ASP A 53 -0.650 -11.258 -13.788 1.00 1.47 H new ATOM 0 HB2 ASP A 53 0.800 -10.170 -11.493 1.00 1.41 H new ATOM 0 HB3 ASP A 53 1.694 -11.503 -12.197 1.00 1.41 H new ATOM 775 N THR A 54 -0.508 -13.444 -11.355 1.00 1.32 N ATOM 776 CA THR A 54 -0.379 -14.907 -11.090 1.00 1.42 C ATOM 777 C THR A 54 -1.773 -15.504 -10.870 1.00 1.56 C ATOM 778 O THR A 54 -1.930 -16.700 -10.722 1.00 1.71 O ATOM 779 CB THR A 54 0.491 -15.150 -9.842 1.00 1.39 C ATOM 780 OG1 THR A 54 -0.319 -15.645 -8.784 1.00 1.89 O ATOM 781 CG2 THR A 54 1.166 -13.848 -9.398 1.00 1.76 C ATOM 0 H THR A 54 -0.808 -12.883 -10.558 1.00 1.32 H new ATOM 0 HA THR A 54 0.097 -15.385 -11.946 1.00 1.42 H new ATOM 0 HB THR A 54 1.261 -15.881 -10.090 1.00 1.39 H new ATOM 0 HG1 THR A 54 0.121 -15.471 -7.926 1.00 1.89 H new ATOM 0 HG21 THR A 54 1.777 -14.037 -8.515 1.00 1.76 H new ATOM 0 HG22 THR A 54 1.798 -13.473 -10.203 1.00 1.76 H new ATOM 0 HG23 THR A 54 0.404 -13.106 -9.160 1.00 1.76 H new ATOM 789 N ARG A 55 -2.786 -14.680 -10.844 1.00 1.60 N ATOM 790 CA ARG A 55 -4.165 -15.201 -10.631 1.00 1.81 C ATOM 791 C ARG A 55 -4.225 -15.959 -9.307 1.00 1.90 C ATOM 792 O ARG A 55 -4.520 -17.136 -9.268 1.00 2.06 O ATOM 793 CB ARG A 55 -4.539 -16.143 -11.773 1.00 1.90 C ATOM 794 CG ARG A 55 -4.133 -15.504 -13.097 1.00 1.94 C ATOM 795 CD ARG A 55 -4.720 -16.310 -14.257 1.00 2.28 C ATOM 796 NE ARG A 55 -4.961 -15.403 -15.415 1.00 2.72 N ATOM 797 CZ ARG A 55 -5.222 -15.899 -16.593 1.00 3.22 C ATOM 798 NH1 ARG A 55 -4.446 -16.813 -17.103 1.00 3.99 N ATOM 799 NH2 ARG A 55 -6.260 -15.477 -17.258 1.00 3.37 N ATOM 0 H ARG A 55 -2.717 -13.669 -10.961 1.00 1.60 H new ATOM 0 HA ARG A 55 -4.866 -14.367 -10.605 1.00 1.81 H new ATOM 0 HB2 ARG A 55 -4.038 -17.103 -11.649 1.00 1.90 H new ATOM 0 HB3 ARG A 55 -5.611 -16.340 -11.763 1.00 1.90 H new ATOM 0 HG2 ARG A 55 -4.489 -14.474 -13.140 1.00 1.94 H new ATOM 0 HG3 ARG A 55 -3.047 -15.470 -13.178 1.00 1.94 H new ATOM 0 HD2 ARG A 55 -4.036 -17.109 -14.543 1.00 2.28 H new ATOM 0 HD3 ARG A 55 -5.653 -16.783 -13.951 1.00 2.28 H new ATOM 0 HE ARG A 55 -4.922 -14.392 -15.286 1.00 2.72 H new ATOM 0 HH11 ARG A 55 -3.634 -17.141 -16.581 1.00 3.99 H new ATOM 0 HH12 ARG A 55 -4.651 -17.200 -18.024 1.00 3.99 H new ATOM 0 HH21 ARG A 55 -6.866 -14.761 -16.857 1.00 3.37 H new ATOM 0 HH22 ARG A 55 -6.467 -15.863 -18.179 1.00 3.37 H new ATOM 813 N THR A 56 -3.943 -15.296 -8.222 1.00 1.87 N ATOM 814 CA THR A 56 -3.979 -15.984 -6.905 1.00 2.01 C ATOM 815 C THR A 56 -4.049 -14.940 -5.788 1.00 2.00 C ATOM 816 O THR A 56 -3.176 -14.106 -5.649 1.00 2.06 O ATOM 817 CB THR A 56 -2.714 -16.837 -6.754 1.00 1.93 C ATOM 818 OG1 THR A 56 -2.917 -17.809 -5.737 1.00 2.29 O ATOM 819 CG2 THR A 56 -1.525 -15.947 -6.383 1.00 1.85 C ATOM 0 H THR A 56 -3.689 -14.309 -8.191 1.00 1.87 H new ATOM 0 HA THR A 56 -4.857 -16.627 -6.842 1.00 2.01 H new ATOM 0 HB THR A 56 -2.504 -17.336 -7.700 1.00 1.93 H new ATOM 0 HG1 THR A 56 -2.109 -18.356 -5.641 1.00 2.29 H new ATOM 0 HG21 THR A 56 -0.630 -16.560 -6.278 1.00 1.85 H new ATOM 0 HG22 THR A 56 -1.367 -15.206 -7.167 1.00 1.85 H new ATOM 0 HG23 THR A 56 -1.730 -15.440 -5.440 1.00 1.85 H new ATOM 827 N SER A 57 -5.083 -14.976 -4.993 1.00 2.05 N ATOM 828 CA SER A 57 -5.206 -13.982 -3.890 1.00 2.07 C ATOM 829 C SER A 57 -4.303 -14.395 -2.729 1.00 2.03 C ATOM 830 O SER A 57 -4.456 -15.456 -2.157 1.00 2.31 O ATOM 831 CB SER A 57 -6.655 -13.927 -3.408 1.00 2.43 C ATOM 832 OG SER A 57 -6.754 -13.006 -2.329 1.00 2.94 O ATOM 0 H SER A 57 -5.846 -15.649 -5.059 1.00 2.05 H new ATOM 0 HA SER A 57 -4.907 -13.000 -4.255 1.00 2.07 H new ATOM 0 HB2 SER A 57 -7.311 -13.622 -4.223 1.00 2.43 H new ATOM 0 HB3 SER A 57 -6.982 -14.916 -3.089 1.00 2.43 H new ATOM 0 HG SER A 57 -6.893 -13.496 -1.492 1.00 2.94 H new ATOM 838 N TYR A 58 -3.364 -13.564 -2.374 1.00 1.88 N ATOM 839 CA TYR A 58 -2.455 -13.907 -1.248 1.00 1.85 C ATOM 840 C TYR A 58 -3.104 -13.486 0.069 1.00 2.05 C ATOM 841 O TYR A 58 -4.250 -13.085 0.105 1.00 2.19 O ATOM 842 CB TYR A 58 -1.126 -13.174 -1.430 1.00 1.55 C ATOM 843 CG TYR A 58 -0.530 -13.563 -2.760 1.00 1.42 C ATOM 844 CD1 TYR A 58 0.190 -14.756 -2.880 1.00 1.80 C ATOM 845 CD2 TYR A 58 -0.706 -12.735 -3.876 1.00 1.64 C ATOM 846 CE1 TYR A 58 0.736 -15.124 -4.115 1.00 1.73 C ATOM 847 CE2 TYR A 58 -0.161 -13.103 -5.112 1.00 1.63 C ATOM 848 CZ TYR A 58 0.560 -14.298 -5.231 1.00 1.31 C ATOM 849 OH TYR A 58 1.097 -14.660 -6.449 1.00 1.32 O ATOM 0 H TYR A 58 -3.187 -12.662 -2.816 1.00 1.88 H new ATOM 0 HA TYR A 58 -2.273 -14.982 -1.233 1.00 1.85 H new ATOM 0 HB2 TYR A 58 -1.282 -12.096 -1.388 1.00 1.55 H new ATOM 0 HB3 TYR A 58 -0.441 -13.429 -0.621 1.00 1.55 H new ATOM 0 HD1 TYR A 58 0.325 -15.394 -2.019 1.00 1.80 H new ATOM 0 HD2 TYR A 58 -1.262 -11.814 -3.783 1.00 1.64 H new ATOM 0 HE1 TYR A 58 1.293 -16.045 -4.207 1.00 1.73 H new ATOM 0 HE2 TYR A 58 -0.296 -12.466 -5.973 1.00 1.63 H new ATOM 0 HH TYR A 58 1.867 -14.088 -6.650 1.00 1.32 H new ATOM 859 N ARG A 59 -2.387 -13.578 1.152 1.00 2.15 N ATOM 860 CA ARG A 59 -2.976 -13.184 2.460 1.00 2.36 C ATOM 861 C ARG A 59 -2.089 -12.134 3.128 1.00 2.11 C ATOM 862 O ARG A 59 -1.241 -11.530 2.500 1.00 2.00 O ATOM 863 CB ARG A 59 -3.081 -14.414 3.364 1.00 2.69 C ATOM 864 CG ARG A 59 -4.505 -14.526 3.910 1.00 2.78 C ATOM 865 CD ARG A 59 -4.915 -15.997 3.984 1.00 3.09 C ATOM 866 NE ARG A 59 -4.102 -16.691 5.021 1.00 3.32 N ATOM 867 CZ ARG A 59 -4.498 -17.839 5.501 1.00 3.57 C ATOM 868 NH1 ARG A 59 -5.310 -17.871 6.521 1.00 3.75 N ATOM 869 NH2 ARG A 59 -4.079 -18.955 4.968 1.00 4.15 N ATOM 0 H ARG A 59 -1.422 -13.908 1.189 1.00 2.15 H new ATOM 0 HA ARG A 59 -3.970 -12.766 2.297 1.00 2.36 H new ATOM 0 HB2 ARG A 59 -2.823 -15.313 2.804 1.00 2.69 H new ATOM 0 HB3 ARG A 59 -2.370 -14.336 4.186 1.00 2.69 H new ATOM 0 HG2 ARG A 59 -4.562 -14.073 4.900 1.00 2.78 H new ATOM 0 HG3 ARG A 59 -5.195 -13.978 3.268 1.00 2.78 H new ATOM 0 HD2 ARG A 59 -5.975 -16.078 4.224 1.00 3.09 H new ATOM 0 HD3 ARG A 59 -4.771 -16.474 3.015 1.00 3.09 H new ATOM 0 HE ARG A 59 -3.236 -16.270 5.356 1.00 3.32 H new ATOM 0 HH11 ARG A 59 -5.634 -17.000 6.942 1.00 3.75 H new ATOM 0 HH12 ARG A 59 -5.621 -18.767 6.898 1.00 3.75 H new ATOM 0 HH21 ARG A 59 -3.440 -18.932 4.173 1.00 4.15 H new ATOM 0 HH22 ARG A 59 -4.391 -19.849 5.346 1.00 4.15 H new ATOM 883 N ILE A 60 -2.279 -11.911 4.398 1.00 2.16 N ATOM 884 CA ILE A 60 -1.451 -10.899 5.108 1.00 1.95 C ATOM 885 C ILE A 60 -0.128 -11.532 5.543 1.00 1.90 C ATOM 886 O ILE A 60 -0.097 -12.608 6.107 1.00 2.09 O ATOM 887 CB ILE A 60 -2.210 -10.401 6.338 1.00 2.10 C ATOM 888 CG1 ILE A 60 -3.361 -9.494 5.891 1.00 2.37 C ATOM 889 CG2 ILE A 60 -1.260 -9.616 7.246 1.00 2.50 C ATOM 890 CD1 ILE A 60 -2.805 -8.139 5.446 1.00 2.77 C ATOM 0 H ILE A 60 -2.973 -12.387 4.975 1.00 2.16 H new ATOM 0 HA ILE A 60 -1.246 -10.062 4.441 1.00 1.95 H new ATOM 0 HB ILE A 60 -2.610 -11.253 6.888 1.00 2.10 H new ATOM 0 HG12 ILE A 60 -3.908 -9.961 5.072 1.00 2.37 H new ATOM 0 HG13 ILE A 60 -4.068 -9.357 6.709 1.00 2.37 H new ATOM 0 HG21 ILE A 60 -1.803 -9.262 8.122 1.00 2.50 H new ATOM 0 HG22 ILE A 60 -0.442 -10.263 7.563 1.00 2.50 H new ATOM 0 HG23 ILE A 60 -0.857 -8.763 6.700 1.00 2.50 H new ATOM 0 HD11 ILE A 60 -3.626 -7.496 5.128 1.00 2.77 H new ATOM 0 HD12 ILE A 60 -2.278 -7.671 6.277 1.00 2.77 H new ATOM 0 HD13 ILE A 60 -2.115 -8.284 4.615 1.00 2.77 H new ATOM 902 N GLY A 61 0.967 -10.869 5.289 1.00 1.77 N ATOM 903 CA GLY A 61 2.289 -11.425 5.692 1.00 1.82 C ATOM 904 C GLY A 61 2.767 -12.433 4.647 1.00 1.81 C ATOM 905 O GLY A 61 3.739 -13.134 4.847 1.00 2.02 O ATOM 0 H GLY A 61 1.003 -9.965 4.819 1.00 1.77 H new ATOM 0 HA2 GLY A 61 3.017 -10.620 5.794 1.00 1.82 H new ATOM 0 HA3 GLY A 61 2.209 -11.907 6.666 1.00 1.82 H new ATOM 909 N ASP A 62 2.094 -12.514 3.533 1.00 1.70 N ATOM 910 CA ASP A 62 2.514 -13.479 2.482 1.00 1.71 C ATOM 911 C ASP A 62 3.513 -12.806 1.542 1.00 1.39 C ATOM 912 O ASP A 62 3.894 -11.668 1.733 1.00 1.23 O ATOM 913 CB ASP A 62 1.289 -13.927 1.687 1.00 1.84 C ATOM 914 CG ASP A 62 0.653 -15.137 2.372 1.00 2.53 C ATOM 915 OD1 ASP A 62 1.383 -16.057 2.701 1.00 3.10 O ATOM 916 OD2 ASP A 62 -0.553 -15.122 2.559 1.00 2.97 O ATOM 0 H ASP A 62 1.272 -11.954 3.306 1.00 1.70 H new ATOM 0 HA ASP A 62 2.983 -14.345 2.949 1.00 1.71 H new ATOM 0 HB2 ASP A 62 0.568 -13.113 1.620 1.00 1.84 H new ATOM 0 HB3 ASP A 62 1.577 -14.182 0.667 1.00 1.84 H new ATOM 921 N THR A 63 3.940 -13.502 0.527 1.00 1.40 N ATOM 922 CA THR A 63 4.915 -12.905 -0.430 1.00 1.19 C ATOM 923 C THR A 63 4.875 -13.695 -1.738 1.00 1.19 C ATOM 924 O THR A 63 4.733 -14.902 -1.739 1.00 1.37 O ATOM 925 CB THR A 63 6.339 -12.949 0.157 1.00 1.39 C ATOM 926 OG1 THR A 63 7.130 -13.876 -0.576 1.00 1.70 O ATOM 927 CG2 THR A 63 6.298 -13.375 1.628 1.00 1.68 C ATOM 0 H THR A 63 3.657 -14.459 0.317 1.00 1.40 H new ATOM 0 HA THR A 63 4.647 -11.865 -0.614 1.00 1.19 H new ATOM 0 HB THR A 63 6.775 -11.953 0.086 1.00 1.39 H new ATOM 0 HG1 THR A 63 8.035 -13.901 -0.202 1.00 1.70 H new ATOM 0 HG21 THR A 63 7.312 -13.401 2.028 1.00 1.68 H new ATOM 0 HG22 THR A 63 5.702 -12.661 2.197 1.00 1.68 H new ATOM 0 HG23 THR A 63 5.851 -14.366 1.707 1.00 1.68 H new ATOM 935 N TRP A 64 4.999 -13.030 -2.852 1.00 1.04 N ATOM 936 CA TRP A 64 4.967 -13.756 -4.150 1.00 1.07 C ATOM 937 C TRP A 64 5.664 -12.925 -5.226 1.00 0.98 C ATOM 938 O TRP A 64 5.451 -11.734 -5.343 1.00 0.89 O ATOM 939 CB TRP A 64 3.515 -14.008 -4.559 1.00 1.01 C ATOM 940 CG TRP A 64 2.807 -12.703 -4.743 1.00 0.75 C ATOM 941 CD1 TRP A 64 2.630 -12.077 -5.929 1.00 0.62 C ATOM 942 CD2 TRP A 64 2.169 -11.863 -3.738 1.00 0.71 C ATOM 943 NE1 TRP A 64 1.926 -10.905 -5.716 1.00 0.52 N ATOM 944 CE2 TRP A 64 1.618 -10.729 -4.382 1.00 0.58 C ATOM 945 CE3 TRP A 64 2.016 -11.972 -2.344 1.00 0.86 C ATOM 946 CZ2 TRP A 64 0.940 -9.740 -3.668 1.00 0.68 C ATOM 947 CZ3 TRP A 64 1.334 -10.979 -1.623 1.00 0.89 C ATOM 948 CH2 TRP A 64 0.797 -9.865 -2.284 1.00 0.81 C ATOM 0 H TRP A 64 5.121 -12.020 -2.919 1.00 1.04 H new ATOM 0 HA TRP A 64 5.485 -14.709 -4.041 1.00 1.07 H new ATOM 0 HB2 TRP A 64 3.483 -14.583 -5.484 1.00 1.01 H new ATOM 0 HB3 TRP A 64 3.011 -14.602 -3.797 1.00 1.01 H new ATOM 0 HD1 TRP A 64 2.981 -12.434 -6.886 1.00 0.62 H new ATOM 0 HE1 TRP A 64 1.666 -10.251 -6.454 1.00 0.52 H new ATOM 0 HE3 TRP A 64 2.426 -12.826 -1.825 1.00 0.86 H new ATOM 0 HZ2 TRP A 64 0.529 -8.884 -4.182 1.00 0.68 H new ATOM 0 HZ3 TRP A 64 1.222 -11.074 -0.553 1.00 0.89 H new ATOM 0 HH2 TRP A 64 0.273 -9.104 -1.724 1.00 0.81 H new ATOM 959 N SER A 65 6.495 -13.547 -6.017 1.00 1.18 N ATOM 960 CA SER A 65 7.205 -12.801 -7.092 1.00 1.19 C ATOM 961 C SER A 65 6.224 -12.496 -8.226 1.00 1.15 C ATOM 962 O SER A 65 5.381 -13.304 -8.563 1.00 1.31 O ATOM 963 CB SER A 65 8.359 -13.652 -7.626 1.00 1.51 C ATOM 964 OG SER A 65 8.890 -14.437 -6.568 1.00 2.23 O ATOM 0 H SER A 65 6.713 -14.542 -5.964 1.00 1.18 H new ATOM 0 HA SER A 65 7.601 -11.868 -6.692 1.00 1.19 H new ATOM 0 HB2 SER A 65 8.008 -14.296 -8.432 1.00 1.51 H new ATOM 0 HB3 SER A 65 9.135 -13.012 -8.045 1.00 1.51 H new ATOM 0 HG SER A 65 9.629 -14.985 -6.906 1.00 2.23 H new ATOM 970 N LYS A 66 6.324 -11.336 -8.816 1.00 1.17 N ATOM 971 CA LYS A 66 5.391 -10.984 -9.925 1.00 1.26 C ATOM 972 C LYS A 66 6.062 -9.976 -10.861 1.00 1.52 C ATOM 973 O LYS A 66 6.267 -8.831 -10.512 1.00 1.56 O ATOM 974 CB LYS A 66 4.118 -10.365 -9.345 1.00 1.20 C ATOM 975 CG LYS A 66 3.212 -9.901 -10.487 1.00 1.44 C ATOM 976 CD LYS A 66 2.649 -8.515 -10.165 1.00 2.01 C ATOM 977 CE LYS A 66 2.143 -7.859 -11.453 1.00 2.51 C ATOM 978 NZ LYS A 66 2.042 -6.385 -11.258 1.00 3.06 N ATOM 0 H LYS A 66 7.009 -10.618 -8.579 1.00 1.17 H new ATOM 0 HA LYS A 66 5.138 -11.886 -10.482 1.00 1.26 H new ATOM 0 HB2 LYS A 66 3.596 -11.094 -8.725 1.00 1.20 H new ATOM 0 HB3 LYS A 66 4.371 -9.522 -8.701 1.00 1.20 H new ATOM 0 HG2 LYS A 66 3.774 -9.868 -11.420 1.00 1.44 H new ATOM 0 HG3 LYS A 66 2.398 -10.611 -10.630 1.00 1.44 H new ATOM 0 HD2 LYS A 66 1.836 -8.599 -9.443 1.00 2.01 H new ATOM 0 HD3 LYS A 66 3.419 -7.895 -9.707 1.00 2.01 H new ATOM 0 HE2 LYS A 66 2.821 -8.081 -12.277 1.00 2.51 H new ATOM 0 HE3 LYS A 66 1.169 -8.268 -11.723 1.00 2.51 H new ATOM 0 HZ1 LYS A 66 1.698 -5.942 -12.134 1.00 3.06 H new ATOM 0 HZ2 LYS A 66 1.378 -6.182 -10.484 1.00 3.06 H new ATOM 0 HZ3 LYS A 66 2.979 -6.001 -11.020 1.00 3.06 H new ATOM 992 N LYS A 67 6.400 -10.395 -12.049 1.00 1.83 N ATOM 993 CA LYS A 67 7.051 -9.469 -13.011 1.00 2.15 C ATOM 994 C LYS A 67 6.090 -8.330 -13.357 1.00 2.10 C ATOM 995 O LYS A 67 4.988 -8.260 -12.848 1.00 2.02 O ATOM 996 CB LYS A 67 7.401 -10.243 -14.279 1.00 2.47 C ATOM 997 CG LYS A 67 6.149 -10.941 -14.809 1.00 2.26 C ATOM 998 CD LYS A 67 6.380 -12.454 -14.835 1.00 2.35 C ATOM 999 CE LYS A 67 5.525 -13.082 -15.937 1.00 2.74 C ATOM 1000 NZ LYS A 67 6.303 -14.153 -16.623 1.00 3.06 N ATOM 0 H LYS A 67 6.252 -11.343 -12.394 1.00 1.83 H new ATOM 0 HA LYS A 67 7.956 -9.052 -12.569 1.00 2.15 H new ATOM 0 HB2 LYS A 67 7.800 -9.565 -15.034 1.00 2.47 H new ATOM 0 HB3 LYS A 67 8.178 -10.977 -14.067 1.00 2.47 H new ATOM 0 HG2 LYS A 67 5.293 -10.704 -14.177 1.00 2.26 H new ATOM 0 HG3 LYS A 67 5.916 -10.581 -15.811 1.00 2.26 H new ATOM 0 HD2 LYS A 67 7.434 -12.669 -15.011 1.00 2.35 H new ATOM 0 HD3 LYS A 67 6.123 -12.888 -13.869 1.00 2.35 H new ATOM 0 HE2 LYS A 67 4.612 -13.498 -15.511 1.00 2.74 H new ATOM 0 HE3 LYS A 67 5.223 -12.320 -16.656 1.00 2.74 H new ATOM 0 HZ1 LYS A 67 5.721 -14.579 -17.372 1.00 3.06 H new ATOM 0 HZ2 LYS A 67 7.162 -13.743 -17.043 1.00 3.06 H new ATOM 0 HZ3 LYS A 67 6.570 -14.884 -15.933 1.00 3.06 H new ATOM 1014 N ASP A 68 6.494 -7.439 -14.219 1.00 2.31 N ATOM 1015 CA ASP A 68 5.598 -6.310 -14.595 1.00 2.43 C ATOM 1016 C ASP A 68 5.126 -6.494 -16.039 1.00 2.54 C ATOM 1017 O ASP A 68 4.166 -7.189 -16.302 1.00 2.42 O ATOM 1018 CB ASP A 68 6.349 -4.979 -14.461 1.00 2.79 C ATOM 1019 CG ASP A 68 7.854 -5.209 -14.633 1.00 3.03 C ATOM 1020 OD1 ASP A 68 8.231 -5.850 -15.600 1.00 3.20 O ATOM 1021 OD2 ASP A 68 8.603 -4.739 -13.792 1.00 3.45 O ATOM 0 H ASP A 68 7.404 -7.444 -14.679 1.00 2.31 H new ATOM 0 HA ASP A 68 4.735 -6.298 -13.929 1.00 2.43 H new ATOM 0 HB2 ASP A 68 5.992 -4.273 -15.211 1.00 2.79 H new ATOM 0 HB3 ASP A 68 6.149 -4.536 -13.486 1.00 2.79 H new ATOM 1026 N ASN A 69 5.792 -5.881 -16.979 1.00 2.89 N ATOM 1027 CA ASN A 69 5.374 -6.031 -18.400 1.00 3.08 C ATOM 1028 C ASN A 69 6.613 -6.079 -19.295 1.00 3.40 C ATOM 1029 O ASN A 69 6.519 -6.020 -20.505 1.00 3.66 O ATOM 1030 CB ASN A 69 4.497 -4.845 -18.803 1.00 3.24 C ATOM 1031 CG ASN A 69 3.419 -5.319 -19.781 1.00 3.64 C ATOM 1032 OD1 ASN A 69 2.464 -5.958 -19.386 1.00 3.84 O ATOM 1033 ND2 ASN A 69 3.531 -5.030 -21.048 1.00 4.31 N ATOM 0 H ASN A 69 6.605 -5.285 -16.824 1.00 2.89 H new ATOM 0 HA ASN A 69 4.808 -6.955 -18.516 1.00 3.08 H new ATOM 0 HB2 ASN A 69 4.034 -4.404 -17.920 1.00 3.24 H new ATOM 0 HB3 ASN A 69 5.106 -4.068 -19.265 1.00 3.24 H new ATOM 0 HD21 ASN A 69 2.817 -5.340 -21.707 1.00 4.31 H new ATOM 0 HD22 ASN A 69 4.333 -4.494 -21.380 1.00 4.31 H new ATOM 1040 N ARG A 70 7.774 -6.193 -18.712 1.00 3.49 N ATOM 1041 CA ARG A 70 9.013 -6.254 -19.533 1.00 3.88 C ATOM 1042 C ARG A 70 9.640 -7.640 -19.382 1.00 4.00 C ATOM 1043 O ARG A 70 10.287 -8.142 -20.279 1.00 4.34 O ATOM 1044 CB ARG A 70 10.004 -5.190 -19.054 1.00 4.15 C ATOM 1045 CG ARG A 70 11.212 -5.163 -19.994 1.00 4.72 C ATOM 1046 CD ARG A 70 12.302 -4.269 -19.401 1.00 5.21 C ATOM 1047 NE ARG A 70 13.138 -3.698 -20.497 1.00 5.82 N ATOM 1048 CZ ARG A 70 13.417 -4.415 -21.553 1.00 5.97 C ATOM 1049 NH1 ARG A 70 14.008 -5.572 -21.421 1.00 5.91 N ATOM 1050 NH2 ARG A 70 13.108 -3.974 -22.743 1.00 6.52 N ATOM 0 H ARG A 70 7.917 -6.246 -17.704 1.00 3.49 H new ATOM 0 HA ARG A 70 8.769 -6.069 -20.579 1.00 3.88 H new ATOM 0 HB2 ARG A 70 9.523 -4.212 -19.033 1.00 4.15 H new ATOM 0 HB3 ARG A 70 10.326 -5.409 -18.036 1.00 4.15 H new ATOM 0 HG2 ARG A 70 11.595 -6.173 -20.140 1.00 4.72 H new ATOM 0 HG3 ARG A 70 10.915 -4.790 -20.974 1.00 4.72 H new ATOM 0 HD2 ARG A 70 11.850 -3.465 -18.820 1.00 5.21 H new ATOM 0 HD3 ARG A 70 12.926 -4.845 -18.718 1.00 5.21 H new ATOM 0 HE ARG A 70 13.493 -2.745 -20.422 1.00 5.82 H new ATOM 0 HH11 ARG A 70 14.252 -5.917 -20.493 1.00 5.91 H new ATOM 0 HH12 ARG A 70 14.225 -6.131 -22.246 1.00 5.91 H new ATOM 0 HH21 ARG A 70 12.649 -3.069 -22.848 1.00 6.52 H new ATOM 0 HH22 ARG A 70 13.326 -4.534 -23.567 1.00 6.52 H new ATOM 1064 N GLY A 71 9.447 -8.263 -18.252 1.00 3.83 N ATOM 1065 CA GLY A 71 10.026 -9.620 -18.042 1.00 4.07 C ATOM 1066 C GLY A 71 10.792 -9.659 -16.717 1.00 3.80 C ATOM 1067 O GLY A 71 11.318 -10.682 -16.325 1.00 4.10 O ATOM 0 H GLY A 71 8.914 -7.892 -17.466 1.00 3.83 H new ATOM 0 HA2 GLY A 71 9.232 -10.367 -18.035 1.00 4.07 H new ATOM 0 HA3 GLY A 71 10.694 -9.872 -18.866 1.00 4.07 H new ATOM 1071 N ASN A 72 10.861 -8.555 -16.024 1.00 3.39 N ATOM 1072 CA ASN A 72 11.595 -8.537 -14.727 1.00 3.29 C ATOM 1073 C ASN A 72 10.858 -9.415 -13.713 1.00 2.98 C ATOM 1074 O ASN A 72 10.128 -10.315 -14.073 1.00 3.11 O ATOM 1075 CB ASN A 72 11.669 -7.102 -14.201 1.00 3.21 C ATOM 1076 CG ASN A 72 13.105 -6.786 -13.779 1.00 3.59 C ATOM 1077 OD1 ASN A 72 13.505 -7.086 -12.673 1.00 3.65 O ATOM 1078 ND2 ASN A 72 13.902 -6.187 -14.621 1.00 4.16 N ATOM 0 H ASN A 72 10.442 -7.667 -16.299 1.00 3.39 H new ATOM 0 HA ASN A 72 12.604 -8.921 -14.875 1.00 3.29 H new ATOM 0 HB2 ASN A 72 11.343 -6.404 -14.972 1.00 3.21 H new ATOM 0 HB3 ASN A 72 10.994 -6.979 -13.354 1.00 3.21 H new ATOM 0 HD21 ASN A 72 14.861 -5.971 -14.350 1.00 4.16 H new ATOM 0 HD22 ASN A 72 13.566 -5.935 -15.550 1.00 4.16 H new ATOM 1085 N LEU A 73 11.043 -9.159 -12.448 1.00 2.73 N ATOM 1086 CA LEU A 73 10.351 -9.974 -11.409 1.00 2.43 C ATOM 1087 C LEU A 73 10.247 -9.155 -10.121 1.00 2.25 C ATOM 1088 O LEU A 73 11.164 -9.116 -9.324 1.00 2.40 O ATOM 1089 CB LEU A 73 11.151 -11.251 -11.141 1.00 2.63 C ATOM 1090 CG LEU A 73 10.282 -12.245 -10.365 1.00 2.45 C ATOM 1091 CD1 LEU A 73 9.577 -13.183 -11.345 1.00 2.76 C ATOM 1092 CD2 LEU A 73 11.166 -13.066 -9.424 1.00 2.70 C ATOM 0 H LEU A 73 11.645 -8.419 -12.087 1.00 2.73 H new ATOM 0 HA LEU A 73 9.353 -10.243 -11.756 1.00 2.43 H new ATOM 0 HB2 LEU A 73 11.476 -11.694 -12.083 1.00 2.63 H new ATOM 0 HB3 LEU A 73 12.051 -11.017 -10.572 1.00 2.63 H new ATOM 0 HG LEU A 73 9.537 -11.700 -9.785 1.00 2.45 H new ATOM 0 HD11 LEU A 73 8.959 -13.890 -10.791 1.00 2.76 H new ATOM 0 HD12 LEU A 73 8.948 -12.600 -12.018 1.00 2.76 H new ATOM 0 HD13 LEU A 73 10.321 -13.729 -11.926 1.00 2.76 H new ATOM 0 HD21 LEU A 73 10.549 -13.774 -8.871 1.00 2.70 H new ATOM 0 HD22 LEU A 73 11.910 -13.610 -10.006 1.00 2.70 H new ATOM 0 HD23 LEU A 73 11.670 -12.399 -8.724 1.00 2.70 H new ATOM 1104 N LEU A 74 9.143 -8.492 -9.916 1.00 1.98 N ATOM 1105 CA LEU A 74 8.987 -7.666 -8.686 1.00 1.85 C ATOM 1106 C LEU A 74 8.571 -8.548 -7.507 1.00 1.61 C ATOM 1107 O LEU A 74 7.432 -8.958 -7.400 1.00 1.39 O ATOM 1108 CB LEU A 74 7.912 -6.603 -8.919 1.00 1.79 C ATOM 1109 CG LEU A 74 8.197 -5.859 -10.224 1.00 2.06 C ATOM 1110 CD1 LEU A 74 7.159 -6.256 -11.276 1.00 1.99 C ATOM 1111 CD2 LEU A 74 8.117 -4.351 -9.974 1.00 2.33 C ATOM 0 H LEU A 74 8.342 -8.486 -10.547 1.00 1.98 H new ATOM 0 HA LEU A 74 9.940 -7.188 -8.459 1.00 1.85 H new ATOM 0 HB2 LEU A 74 6.928 -7.070 -8.963 1.00 1.79 H new ATOM 0 HB3 LEU A 74 7.894 -5.901 -8.085 1.00 1.79 H new ATOM 0 HG LEU A 74 9.193 -6.119 -10.582 1.00 2.06 H new ATOM 0 HD11 LEU A 74 7.362 -5.725 -12.206 1.00 1.99 H new ATOM 0 HD12 LEU A 74 7.212 -7.330 -11.452 1.00 1.99 H new ATOM 0 HD13 LEU A 74 6.162 -5.995 -10.920 1.00 1.99 H new ATOM 0 HD21 LEU A 74 8.320 -3.817 -10.902 1.00 2.33 H new ATOM 0 HD22 LEU A 74 7.120 -4.094 -9.618 1.00 2.33 H new ATOM 0 HD23 LEU A 74 8.855 -4.067 -9.224 1.00 2.33 H new ATOM 1123 N GLN A 75 9.478 -8.828 -6.611 1.00 1.70 N ATOM 1124 CA GLN A 75 9.123 -9.666 -5.431 1.00 1.52 C ATOM 1125 C GLN A 75 8.136 -8.885 -4.561 1.00 1.26 C ATOM 1126 O GLN A 75 8.521 -8.165 -3.662 1.00 1.37 O ATOM 1127 CB GLN A 75 10.389 -9.974 -4.626 1.00 1.72 C ATOM 1128 CG GLN A 75 10.004 -10.513 -3.246 1.00 1.69 C ATOM 1129 CD GLN A 75 11.200 -11.242 -2.631 1.00 2.06 C ATOM 1130 OE1 GLN A 75 11.956 -10.665 -1.875 1.00 2.44 O ATOM 1131 NE2 GLN A 75 11.405 -12.497 -2.926 1.00 2.64 N ATOM 0 H GLN A 75 10.448 -8.513 -6.645 1.00 1.70 H new ATOM 0 HA GLN A 75 8.672 -10.603 -5.756 1.00 1.52 H new ATOM 0 HB2 GLN A 75 10.999 -10.706 -5.156 1.00 1.72 H new ATOM 0 HB3 GLN A 75 10.992 -9.072 -4.520 1.00 1.72 H new ATOM 0 HG2 GLN A 75 9.691 -9.694 -2.598 1.00 1.69 H new ATOM 0 HG3 GLN A 75 9.156 -11.192 -3.333 1.00 1.69 H new ATOM 0 HE21 GLN A 75 10.771 -12.982 -3.561 1.00 2.64 H new ATOM 0 HE22 GLN A 75 12.200 -12.993 -2.522 1.00 2.64 H new ATOM 1140 N CYS A 76 6.866 -9.001 -4.838 1.00 0.98 N ATOM 1141 CA CYS A 76 5.854 -8.247 -4.052 1.00 0.79 C ATOM 1142 C CYS A 76 5.575 -8.943 -2.718 1.00 0.67 C ATOM 1143 O CYS A 76 5.974 -10.068 -2.491 1.00 0.77 O ATOM 1144 CB CYS A 76 4.562 -8.173 -4.859 1.00 0.72 C ATOM 1145 SG CYS A 76 4.950 -7.882 -6.602 1.00 0.85 S ATOM 0 H CYS A 76 6.486 -9.589 -5.579 1.00 0.98 H new ATOM 0 HA CYS A 76 6.236 -7.247 -3.848 1.00 0.79 H new ATOM 0 HB2 CYS A 76 4.001 -9.101 -4.751 1.00 0.72 H new ATOM 0 HB3 CYS A 76 3.929 -7.371 -4.478 1.00 0.72 H new ATOM 1150 N ILE A 77 4.880 -8.271 -1.838 1.00 0.62 N ATOM 1151 CA ILE A 77 4.554 -8.872 -0.513 1.00 0.69 C ATOM 1152 C ILE A 77 3.308 -8.189 0.057 1.00 0.79 C ATOM 1153 O ILE A 77 3.144 -6.991 -0.053 1.00 0.95 O ATOM 1154 CB ILE A 77 5.727 -8.665 0.446 1.00 0.79 C ATOM 1155 CG1 ILE A 77 5.306 -9.069 1.860 1.00 0.98 C ATOM 1156 CG2 ILE A 77 6.135 -7.191 0.444 1.00 0.83 C ATOM 1157 CD1 ILE A 77 6.288 -10.104 2.410 1.00 1.23 C ATOM 0 H ILE A 77 4.523 -7.327 -1.982 1.00 0.62 H new ATOM 0 HA ILE A 77 4.368 -9.939 -0.633 1.00 0.69 H new ATOM 0 HB ILE A 77 6.569 -9.278 0.125 1.00 0.79 H new ATOM 0 HG12 ILE A 77 5.284 -8.193 2.508 1.00 0.98 H new ATOM 0 HG13 ILE A 77 4.297 -9.481 1.846 1.00 0.98 H new ATOM 0 HG21 ILE A 77 6.971 -7.044 1.128 1.00 0.83 H new ATOM 0 HG22 ILE A 77 6.433 -6.897 -0.562 1.00 0.83 H new ATOM 0 HG23 ILE A 77 5.292 -6.580 0.765 1.00 0.83 H new ATOM 0 HD11 ILE A 77 5.987 -10.391 3.418 1.00 1.23 H new ATOM 0 HD12 ILE A 77 6.288 -10.984 1.766 1.00 1.23 H new ATOM 0 HD13 ILE A 77 7.290 -9.676 2.439 1.00 1.23 H new ATOM 1169 N CYS A 78 2.429 -8.937 0.667 1.00 0.89 N ATOM 1170 CA CYS A 78 1.199 -8.320 1.242 1.00 1.12 C ATOM 1171 C CYS A 78 1.526 -7.713 2.608 1.00 1.28 C ATOM 1172 O CYS A 78 1.173 -8.251 3.638 1.00 1.43 O ATOM 1173 CB CYS A 78 0.115 -9.387 1.406 1.00 1.30 C ATOM 1174 SG CYS A 78 -1.455 -8.588 1.817 1.00 1.55 S ATOM 0 H CYS A 78 2.509 -9.946 0.792 1.00 0.89 H new ATOM 0 HA CYS A 78 0.839 -7.540 0.571 1.00 1.12 H new ATOM 0 HB2 CYS A 78 0.013 -9.962 0.486 1.00 1.30 H new ATOM 0 HB3 CYS A 78 0.395 -10.089 2.192 1.00 1.30 H new ATOM 1179 N THR A 79 2.203 -6.598 2.622 1.00 1.30 N ATOM 1180 CA THR A 79 2.561 -5.956 3.918 1.00 1.47 C ATOM 1181 C THR A 79 1.296 -5.710 4.745 1.00 1.73 C ATOM 1182 O THR A 79 1.320 -5.759 5.959 1.00 2.09 O ATOM 1183 CB THR A 79 3.259 -4.622 3.646 1.00 1.50 C ATOM 1184 OG1 THR A 79 3.218 -3.820 4.819 1.00 1.78 O ATOM 1185 CG2 THR A 79 2.548 -3.896 2.503 1.00 1.95 C ATOM 0 H THR A 79 2.524 -6.103 1.790 1.00 1.30 H new ATOM 0 HA THR A 79 3.229 -6.615 4.473 1.00 1.47 H new ATOM 0 HB THR A 79 4.297 -4.804 3.367 1.00 1.50 H new ATOM 0 HG1 THR A 79 3.666 -2.966 4.647 1.00 1.78 H new ATOM 0 HG21 THR A 79 3.046 -2.946 2.310 1.00 1.95 H new ATOM 0 HG22 THR A 79 2.581 -4.512 1.604 1.00 1.95 H new ATOM 0 HG23 THR A 79 1.510 -3.712 2.779 1.00 1.95 H new ATOM 1193 N GLY A 80 0.192 -5.442 4.103 1.00 1.77 N ATOM 1194 CA GLY A 80 -1.066 -5.191 4.861 1.00 2.07 C ATOM 1195 C GLY A 80 -0.831 -4.081 5.886 1.00 2.28 C ATOM 1196 O GLY A 80 -0.345 -4.321 6.974 1.00 2.55 O ATOM 0 H GLY A 80 0.107 -5.386 3.088 1.00 1.77 H new ATOM 0 HA2 GLY A 80 -1.865 -4.905 4.176 1.00 2.07 H new ATOM 0 HA3 GLY A 80 -1.388 -6.103 5.364 1.00 2.07 H new ATOM 1200 N ASN A 81 -1.168 -2.865 5.550 1.00 2.34 N ATOM 1201 CA ASN A 81 -0.956 -1.746 6.509 1.00 2.64 C ATOM 1202 C ASN A 81 -2.128 -0.764 6.434 1.00 2.91 C ATOM 1203 O ASN A 81 -1.942 0.423 6.250 1.00 3.08 O ATOM 1204 CB ASN A 81 0.343 -1.017 6.160 1.00 2.62 C ATOM 1205 CG ASN A 81 0.629 0.050 7.219 1.00 2.79 C ATOM 1206 OD1 ASN A 81 1.430 -0.230 8.210 1.00 3.31 O flip ATOM 1207 ND2 ASN A 81 0.117 1.149 7.144 1.00 2.99 N flip ATOM 0 H ASN A 81 -1.580 -2.600 4.655 1.00 2.34 H new ATOM 0 HA ASN A 81 -0.891 -2.148 7.520 1.00 2.64 H new ATOM 0 HB2 ASN A 81 1.169 -1.727 6.111 1.00 2.62 H new ATOM 0 HB3 ASN A 81 0.260 -0.555 5.176 1.00 2.62 H new ATOM 0 HD21 ASN A 81 -0.509 1.368 6.369 1.00 2.99 H new ATOM 0 HD22 ASN A 81 0.313 1.853 7.856 1.00 2.99 H new ATOM 1214 N GLY A 82 -3.333 -1.243 6.584 1.00 3.03 N ATOM 1215 CA GLY A 82 -4.506 -0.324 6.531 1.00 3.33 C ATOM 1216 C GLY A 82 -5.406 -0.684 5.346 1.00 3.13 C ATOM 1217 O GLY A 82 -6.617 -0.623 5.437 1.00 3.25 O ATOM 0 H GLY A 82 -3.556 -2.226 6.740 1.00 3.03 H new ATOM 0 HA2 GLY A 82 -5.072 -0.391 7.460 1.00 3.33 H new ATOM 0 HA3 GLY A 82 -4.165 0.707 6.438 1.00 3.33 H new ATOM 1221 N ARG A 83 -4.834 -1.052 4.233 1.00 2.93 N ATOM 1222 CA ARG A 83 -5.675 -1.404 3.053 1.00 2.82 C ATOM 1223 C ARG A 83 -4.938 -2.414 2.171 1.00 2.59 C ATOM 1224 O ARG A 83 -5.178 -2.503 0.984 1.00 2.46 O ATOM 1225 CB ARG A 83 -5.968 -0.144 2.232 1.00 2.98 C ATOM 1226 CG ARG A 83 -5.946 1.089 3.139 1.00 3.28 C ATOM 1227 CD ARG A 83 -6.351 2.321 2.330 1.00 3.43 C ATOM 1228 NE ARG A 83 -7.638 2.854 2.858 1.00 4.01 N ATOM 1229 CZ ARG A 83 -8.049 4.042 2.506 1.00 4.51 C ATOM 1230 NH1 ARG A 83 -7.630 4.573 1.390 1.00 4.91 N ATOM 1231 NH2 ARG A 83 -8.877 4.699 3.272 1.00 5.05 N ATOM 0 H ARG A 83 -3.827 -1.124 4.089 1.00 2.93 H new ATOM 0 HA ARG A 83 -6.610 -1.840 3.404 1.00 2.82 H new ATOM 0 HB2 ARG A 83 -5.227 -0.036 1.440 1.00 2.98 H new ATOM 0 HB3 ARG A 83 -6.941 -0.233 1.749 1.00 2.98 H new ATOM 0 HG2 ARG A 83 -6.629 0.950 3.977 1.00 3.28 H new ATOM 0 HG3 ARG A 83 -4.950 1.227 3.559 1.00 3.28 H new ATOM 0 HD2 ARG A 83 -5.575 3.084 2.394 1.00 3.43 H new ATOM 0 HD3 ARG A 83 -6.456 2.060 1.277 1.00 3.43 H new ATOM 0 HE ARG A 83 -8.199 2.290 3.496 1.00 4.01 H new ATOM 0 HH11 ARG A 83 -6.982 4.060 0.793 1.00 4.91 H new ATOM 0 HH12 ARG A 83 -7.951 5.501 1.115 1.00 4.91 H new ATOM 0 HH21 ARG A 83 -9.203 4.284 4.145 1.00 5.05 H new ATOM 0 HH22 ARG A 83 -9.198 5.627 2.997 1.00 5.05 H new ATOM 1245 N GLY A 84 -4.043 -3.174 2.734 1.00 2.68 N ATOM 1246 CA GLY A 84 -3.300 -4.168 1.911 1.00 2.65 C ATOM 1247 C GLY A 84 -2.407 -3.432 0.915 1.00 2.44 C ATOM 1248 O GLY A 84 -2.679 -3.394 -0.269 1.00 2.70 O ATOM 0 H GLY A 84 -3.794 -3.151 3.723 1.00 2.68 H new ATOM 0 HA2 GLY A 84 -2.696 -4.810 2.553 1.00 2.65 H new ATOM 0 HA3 GLY A 84 -4.000 -4.814 1.381 1.00 2.65 H new ATOM 1252 N GLU A 85 -1.345 -2.846 1.385 1.00 2.13 N ATOM 1253 CA GLU A 85 -0.432 -2.109 0.468 1.00 2.11 C ATOM 1254 C GLU A 85 0.585 -3.084 -0.126 1.00 1.61 C ATOM 1255 O GLU A 85 1.777 -2.846 -0.103 1.00 1.52 O ATOM 1256 CB GLU A 85 0.297 -1.010 1.246 1.00 2.61 C ATOM 1257 CG GLU A 85 -0.690 0.106 1.598 1.00 3.27 C ATOM 1258 CD GLU A 85 0.068 1.289 2.204 1.00 3.77 C ATOM 1259 OE1 GLU A 85 0.805 1.932 1.474 1.00 4.15 O ATOM 1260 OE2 GLU A 85 -0.102 1.533 3.387 1.00 4.21 O ATOM 0 H GLU A 85 -1.068 -2.845 2.367 1.00 2.13 H new ATOM 0 HA GLU A 85 -1.010 -1.655 -0.337 1.00 2.11 H new ATOM 0 HB2 GLU A 85 0.735 -1.422 2.155 1.00 2.61 H new ATOM 0 HB3 GLU A 85 1.117 -0.610 0.650 1.00 2.61 H new ATOM 0 HG2 GLU A 85 -1.228 0.425 0.705 1.00 3.27 H new ATOM 0 HG3 GLU A 85 -1.434 -0.262 2.304 1.00 3.27 H new ATOM 1267 N TRP A 86 0.121 -4.179 -0.660 1.00 1.63 N ATOM 1268 CA TRP A 86 1.053 -5.173 -1.261 1.00 1.22 C ATOM 1269 C TRP A 86 1.893 -4.472 -2.341 1.00 1.27 C ATOM 1270 O TRP A 86 1.434 -4.221 -3.437 1.00 1.54 O ATOM 1271 CB TRP A 86 0.222 -6.345 -1.830 1.00 1.19 C ATOM 1272 CG TRP A 86 0.571 -6.643 -3.257 1.00 1.07 C ATOM 1273 CD1 TRP A 86 1.801 -6.980 -3.706 1.00 0.98 C ATOM 1274 CD2 TRP A 86 -0.304 -6.645 -4.422 1.00 1.14 C ATOM 1275 NE1 TRP A 86 1.736 -7.188 -5.072 1.00 0.98 N ATOM 1276 CE2 TRP A 86 0.460 -6.991 -5.560 1.00 1.06 C ATOM 1277 CE3 TRP A 86 -1.674 -6.381 -4.599 1.00 1.35 C ATOM 1278 CZ2 TRP A 86 -0.113 -7.074 -6.829 1.00 1.17 C ATOM 1279 CZ3 TRP A 86 -2.255 -6.463 -5.875 1.00 1.46 C ATOM 1280 CH2 TRP A 86 -1.475 -6.808 -6.988 1.00 1.36 C ATOM 0 H TRP A 86 -0.867 -4.429 -0.706 1.00 1.63 H new ATOM 0 HA TRP A 86 1.740 -5.579 -0.519 1.00 1.22 H new ATOM 0 HB2 TRP A 86 0.388 -7.235 -1.223 1.00 1.19 H new ATOM 0 HB3 TRP A 86 -0.839 -6.105 -1.759 1.00 1.19 H new ATOM 0 HD1 TRP A 86 2.689 -7.072 -3.098 1.00 0.98 H new ATOM 0 HE1 TRP A 86 2.534 -7.455 -5.649 1.00 0.98 H new ATOM 0 HE3 TRP A 86 -2.283 -6.114 -3.748 1.00 1.35 H new ATOM 0 HZ2 TRP A 86 0.492 -7.342 -7.682 1.00 1.17 H new ATOM 0 HZ3 TRP A 86 -3.308 -6.259 -6.000 1.00 1.46 H new ATOM 0 HH2 TRP A 86 -1.927 -6.868 -7.967 1.00 1.36 H new ATOM 1291 N LYS A 87 3.116 -4.138 -2.019 1.00 1.17 N ATOM 1292 CA LYS A 87 3.994 -3.431 -3.000 1.00 1.40 C ATOM 1293 C LYS A 87 4.742 -4.438 -3.877 1.00 1.21 C ATOM 1294 O LYS A 87 4.713 -5.631 -3.641 1.00 0.98 O ATOM 1295 CB LYS A 87 5.016 -2.588 -2.237 1.00 1.67 C ATOM 1296 CG LYS A 87 4.646 -1.108 -2.333 1.00 2.18 C ATOM 1297 CD LYS A 87 5.833 -0.261 -1.874 1.00 2.55 C ATOM 1298 CE LYS A 87 5.869 -0.221 -0.346 1.00 3.01 C ATOM 1299 NZ LYS A 87 6.936 0.718 0.099 1.00 3.72 N ATOM 0 H LYS A 87 3.547 -4.326 -1.114 1.00 1.17 H new ATOM 0 HA LYS A 87 3.373 -2.799 -3.635 1.00 1.40 H new ATOM 0 HB2 LYS A 87 5.047 -2.897 -1.192 1.00 1.67 H new ATOM 0 HB3 LYS A 87 6.013 -2.750 -2.647 1.00 1.67 H new ATOM 0 HG2 LYS A 87 4.378 -0.854 -3.358 1.00 2.18 H new ATOM 0 HG3 LYS A 87 3.774 -0.898 -1.714 1.00 2.18 H new ATOM 0 HD2 LYS A 87 6.763 -0.679 -2.260 1.00 2.55 H new ATOM 0 HD3 LYS A 87 5.748 0.750 -2.273 1.00 2.55 H new ATOM 0 HE2 LYS A 87 4.902 0.099 0.043 1.00 3.01 H new ATOM 0 HE3 LYS A 87 6.058 -1.218 0.051 1.00 3.01 H new ATOM 0 HZ1 LYS A 87 6.962 0.747 1.138 1.00 3.72 H new ATOM 0 HZ2 LYS A 87 7.856 0.394 -0.262 1.00 3.72 H new ATOM 0 HZ3 LYS A 87 6.736 1.670 -0.269 1.00 3.72 H new ATOM 1313 N CYS A 88 5.424 -3.951 -4.883 1.00 1.44 N ATOM 1314 CA CYS A 88 6.194 -4.850 -5.789 1.00 1.35 C ATOM 1315 C CYS A 88 7.590 -4.260 -6.008 1.00 1.65 C ATOM 1316 O CYS A 88 7.734 -3.104 -6.351 1.00 1.97 O ATOM 1317 CB CYS A 88 5.478 -4.953 -7.138 1.00 1.32 C ATOM 1318 SG CYS A 88 4.088 -6.101 -7.007 1.00 1.02 S ATOM 0 H CYS A 88 5.479 -2.959 -5.115 1.00 1.44 H new ATOM 0 HA CYS A 88 6.272 -5.841 -5.341 1.00 1.35 H new ATOM 0 HB2 CYS A 88 5.122 -3.970 -7.447 1.00 1.32 H new ATOM 0 HB3 CYS A 88 6.174 -5.296 -7.904 1.00 1.32 H new ATOM 1323 N GLU A 89 8.619 -5.039 -5.815 1.00 1.70 N ATOM 1324 CA GLU A 89 9.998 -4.506 -6.016 1.00 2.04 C ATOM 1325 C GLU A 89 10.716 -5.326 -7.090 1.00 2.24 C ATOM 1326 O GLU A 89 11.085 -6.464 -6.873 1.00 2.24 O ATOM 1327 CB GLU A 89 10.776 -4.592 -4.701 1.00 1.98 C ATOM 1328 CG GLU A 89 11.948 -3.609 -4.736 1.00 2.35 C ATOM 1329 CD GLU A 89 12.653 -3.608 -3.377 1.00 2.59 C ATOM 1330 OE1 GLU A 89 11.974 -3.429 -2.379 1.00 2.83 O ATOM 1331 OE2 GLU A 89 13.860 -3.783 -3.358 1.00 3.06 O ATOM 0 H GLU A 89 8.566 -6.016 -5.528 1.00 1.70 H new ATOM 0 HA GLU A 89 9.940 -3.466 -6.336 1.00 2.04 H new ATOM 0 HB2 GLU A 89 10.119 -4.362 -3.862 1.00 1.98 H new ATOM 0 HB3 GLU A 89 11.143 -5.607 -4.549 1.00 1.98 H new ATOM 0 HG2 GLU A 89 12.649 -3.890 -5.521 1.00 2.35 H new ATOM 0 HG3 GLU A 89 11.590 -2.607 -4.973 1.00 2.35 H new ATOM 1338 N ARG A 90 10.921 -4.753 -8.246 1.00 2.54 N ATOM 1339 CA ARG A 90 11.616 -5.490 -9.335 1.00 2.81 C ATOM 1340 C ARG A 90 12.912 -6.096 -8.797 1.00 2.87 C ATOM 1341 O ARG A 90 13.301 -5.857 -7.671 1.00 2.74 O ATOM 1342 CB ARG A 90 11.946 -4.517 -10.468 1.00 3.15 C ATOM 1343 CG ARG A 90 12.382 -3.173 -9.881 1.00 3.22 C ATOM 1344 CD ARG A 90 13.183 -2.394 -10.927 1.00 3.47 C ATOM 1345 NE ARG A 90 12.398 -1.207 -11.372 1.00 4.13 N ATOM 1346 CZ ARG A 90 12.988 -0.236 -12.016 1.00 4.63 C ATOM 1347 NH1 ARG A 90 13.626 0.691 -11.355 1.00 5.14 N ATOM 1348 NH2 ARG A 90 12.938 -0.189 -13.320 1.00 5.00 N ATOM 0 H ARG A 90 10.635 -3.803 -8.481 1.00 2.54 H new ATOM 0 HA ARG A 90 10.971 -6.286 -9.707 1.00 2.81 H new ATOM 0 HB2 ARG A 90 12.740 -4.927 -11.093 1.00 3.15 H new ATOM 0 HB3 ARG A 90 11.075 -4.380 -11.108 1.00 3.15 H new ATOM 0 HG2 ARG A 90 11.508 -2.598 -9.574 1.00 3.22 H new ATOM 0 HG3 ARG A 90 12.988 -3.333 -8.989 1.00 3.22 H new ATOM 0 HD2 ARG A 90 14.137 -2.076 -10.507 1.00 3.47 H new ATOM 0 HD3 ARG A 90 13.408 -3.035 -11.779 1.00 3.47 H new ATOM 0 HE ARG A 90 11.399 -1.153 -11.173 1.00 4.13 H new ATOM 0 HH11 ARG A 90 13.664 0.657 -10.336 1.00 5.14 H new ATOM 0 HH12 ARG A 90 14.087 1.450 -11.857 1.00 5.14 H new ATOM 0 HH21 ARG A 90 12.437 -0.911 -13.838 1.00 5.00 H new ATOM 0 HH22 ARG A 90 13.399 0.570 -13.821 1.00 5.00 H new ATOM 1362 N HIS A 91 13.589 -6.872 -9.596 1.00 3.14 N ATOM 1363 CA HIS A 91 14.863 -7.480 -9.130 1.00 3.30 C ATOM 1364 C HIS A 91 15.941 -6.396 -9.093 1.00 3.56 C ATOM 1365 O HIS A 91 16.362 -5.890 -10.114 1.00 3.84 O ATOM 1366 CB HIS A 91 15.276 -8.594 -10.095 1.00 3.63 C ATOM 1367 CG HIS A 91 14.609 -9.881 -9.690 1.00 3.13 C ATOM 1368 ND1 HIS A 91 14.936 -11.096 -10.269 1.00 3.13 N ATOM 1369 CD2 HIS A 91 13.633 -10.157 -8.764 1.00 2.86 C ATOM 1370 CE1 HIS A 91 14.171 -12.040 -9.690 1.00 2.98 C ATOM 1371 NE2 HIS A 91 13.358 -11.521 -8.766 1.00 2.83 N ATOM 0 H HIS A 91 13.315 -7.110 -10.549 1.00 3.14 H new ATOM 0 HA HIS A 91 14.735 -7.903 -8.133 1.00 3.30 H new ATOM 0 HB2 HIS A 91 14.993 -8.330 -11.114 1.00 3.63 H new ATOM 0 HB3 HIS A 91 16.359 -8.715 -10.086 1.00 3.63 H new ATOM 0 HD1 HIS A 91 15.630 -11.248 -11.001 1.00 3.13 H new ATOM 0 HD2 HIS A 91 13.152 -9.426 -8.131 1.00 2.86 H new ATOM 0 HE1 HIS A 91 14.210 -13.089 -9.942 1.00 2.98 H new ATOM 1379 N THR A 92 16.381 -6.023 -7.922 1.00 3.68 N ATOM 1380 CA THR A 92 17.420 -4.961 -7.819 1.00 4.05 C ATOM 1381 C THR A 92 18.807 -5.599 -7.743 1.00 4.56 C ATOM 1382 O THR A 92 19.488 -5.511 -6.741 1.00 4.47 O ATOM 1383 CB THR A 92 17.170 -4.129 -6.559 1.00 4.17 C ATOM 1384 OG1 THR A 92 16.184 -4.767 -5.760 1.00 4.42 O ATOM 1385 CG2 THR A 92 16.683 -2.734 -6.951 1.00 4.23 C ATOM 0 H THR A 92 16.065 -6.409 -7.032 1.00 3.68 H new ATOM 0 HA THR A 92 17.369 -4.319 -8.698 1.00 4.05 H new ATOM 0 HB THR A 92 18.098 -4.041 -5.994 1.00 4.17 H new ATOM 0 HG1 THR A 92 16.024 -4.236 -4.952 1.00 4.42 H new ATOM 0 HG21 THR A 92 16.506 -2.144 -6.052 1.00 4.23 H new ATOM 0 HG22 THR A 92 17.439 -2.243 -7.564 1.00 4.23 H new ATOM 0 HG23 THR A 92 15.756 -2.818 -7.518 1.00 4.23 H new ATOM 1393 N SER A 93 19.235 -6.235 -8.797 1.00 5.39 N ATOM 1394 CA SER A 93 20.581 -6.868 -8.778 1.00 6.09 C ATOM 1395 C SER A 93 21.648 -5.776 -8.692 1.00 6.92 C ATOM 1396 O SER A 93 21.295 -4.618 -8.852 1.00 7.50 O ATOM 1397 CB SER A 93 20.785 -7.680 -10.058 1.00 6.80 C ATOM 1398 OG SER A 93 21.799 -8.651 -9.838 1.00 6.94 O ATOM 1399 OXT SER A 93 22.798 -6.115 -8.473 1.00 7.21 O ATOM 0 H SER A 93 18.713 -6.343 -9.667 1.00 5.39 H new ATOM 0 HA SER A 93 20.661 -7.530 -7.916 1.00 6.09 H new ATOM 0 HB2 SER A 93 19.854 -8.168 -10.346 1.00 6.80 H new ATOM 0 HB3 SER A 93 21.067 -7.022 -10.880 1.00 6.80 H new ATOM 0 HG SER A 93 22.536 -8.246 -9.334 1.00 6.94 H new TER 1405 SER A 93 CONECT 55 485 CONECT 461 618 CONECT 485 55 CONECT 618 461 CONECT 715 1174 CONECT 1145 1318 CONECT 1174 715 CONECT 1318 1145 END