USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 821 hydrogens (12 hets) HEADER ELECTRON TRANSPORT 10-MAY-94 1TRW TITLE THE HIGH-RESOLUTION THREE-DIMENSIONAL SOLUTION STRUCTURES TITLE 2 OF THE OXIDIZED AND REDUCED STATES OF HUMAN THIOREDOXIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: THIOREDOXIN; 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 KEYWDS ELECTRON TRANSPORT EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,J.QIN,A.M.GRONENBORN REVDAT 2 24-FEB-09 1TRW 1 VERSN REVDAT 1 30-SEP-94 1TRW 0 JRNL AUTH J.QIN,G.M.CLORE,A.M.GRONENBORN JRNL TITL THE HIGH-RESOLUTION THREE-DIMENSIONAL SOLUTION JRNL TITL 2 STRUCTURES OF THE OXIDIZED AND REDUCED STATES OF JRNL TITL 3 HUMAN THIOREDOXIN. JRNL REF STRUCTURE V. 2 503 1994 JRNL REFN ISSN 0969-2126 JRNL PMID 7922028 JRNL DOI 10.1016/S0969-2126(00)00051-4 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE 3D STRUCTURE OF REDUCED HUMAN THIOREDOXIN IN SOLUTION REMARK 3 BY NMR IS BASED ON 2933 EXPERIMENTAL RESTRAINTS COMPRISING: REMARK 3 2571 STRUCTURE USEFUL INTERPROTON DISTANCE RESTRAINTS; 28 REMARK 3 RESTRAINTS FOR 14 H-BONDS INVOLVING 6 TIGHTLY BOUND WATER REMARK 3 MOLECULES; 60 RESTRAINTS FOR 30 BACKBONE HYDROGEN BONDS REMARK 3 INVOLVING SLOWLY EXCHANGING AMIDE PROTONS; 273 TORSION REMARK 3 ANGLE RESTRAINTS (104 PHI, 71 PSI, 78 CHI1 AND 20 CHI2); REMARK 3 AND 89 HN-HALPHA THREE-BOND COUPLING CONSTANTS. A REMARK 3 COMPLETE LIST OF EXPERIMENTAL RESTRAINTS AND 1H, 13C AND REMARK 3 15N ASSIGNMENTS HAVE BEEN DEPOSITED WITH THE PROTEIN DATA REMARK 3 BANK. REMARK 3 REMARK 3 THE STRUCTURES ARE CALCULATED USING THE HYBRID METRIC REMARK 3 MATRIX DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING REMARK 3 METHOD DESCRIBED BY: NILGES, M., CLORE, G.M. & REMARK 3 GRONENBORN, A.M. (1988) FEBS LETT 229, 317 - 324. ALL REMARK 3 STRUCTURAL STATISTICS ARE GIVEN IN THE REFERENCE. REMARK 3 REMARK 3 THIS ENTRY CONTAINS THE RESTRAINED MINIMIZED AVERAGE REMARK 3 STRUCTURE (SA)R. THIS IS OBTAINED BY FIRST AVERAGING THE REMARK 3 COORDINATES OF THE INDIVIDUAL 40 DYNAMICAL SIMULATED REMARK 3 ANNEALING SA STRUCTURES BEST FITTED TO RESIDUES 1 - 105 AND REMARK 3 SUBJECTING THE RESULTING COORDINATES TO RESTRAINED REMARK 3 MINIMIZATION. THE 40 INDIVIDUAL STRUCTURES ARE PRESENTED REMARK 3 IN PROTEIN DATA BANK ENTRY 1TRV. REMARK 3 REMARK 3 COLUMNS 61 - 65 OF THE COORDINATE RECORDS (THE B VALUE REMARK 3 FIELD IN X-RAY STRUCTURES) IN THE MINIMIZED STRUCTURE REMARK 3 (ENTRY 1TRW) GIVE THE AVERAGE RMS DIFFERENCE BETWEEN THE REMARK 3 INDIVIDUAL SA STRUCTURES AND THE MEAN STRUCTURE. THE REMARK 3 NUMBERS IN THIS FIELD OF THE INDIVIDUAL STRUCTURES (ENTRY REMARK 3 1TRV) HAVE NO MEANING. REMARK 4 REMARK 4 1TRW 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 SER A 28 -168.73 -116.74 REMARK 500 SER A 50 0.63 -68.23 REMARK 500 LYS A 82 18.50 52.58 REMARK 500 ALA A 92 38.07 -80.26 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1TRV RELATED DB: PDB DBREF 1TRW A 2 105 UNP P10599 THIO_HUMAN 1 104 SEQADV 1TRW ALA A 62 UNP P10599 CYS 61 CONFLICT SEQADV 1TRW ALA A 69 UNP P10599 CYS 68 CONFLICT SEQADV 1TRW ALA A 73 UNP P10599 CYS 72 CONFLICT SEQADV 1TRW THR A 74 UNP P10599 MET 73 CONFLICT SEQRES 1 A 105 MET VAL LYS GLN ILE GLU SER LYS THR ALA PHE GLN GLU SEQRES 2 A 105 ALA LEU ASP ALA ALA GLY ASP LYS LEU VAL VAL VAL ASP SEQRES 3 A 105 PHE SER ALA THR TRP CYS GLY PRO CYS LYS MET ILE LYS SEQRES 4 A 105 PRO PHE PHE HIS SER LEU SER GLU LYS TYR SER ASN VAL SEQRES 5 A 105 ILE PHE LEU GLU VAL ASP VAL ASP ASP ALA GLN ASP VAL SEQRES 6 A 105 ALA SER GLU ALA GLU VAL LYS ALA THR PRO THR PHE GLN SEQRES 7 A 105 PHE PHE LYS LYS GLY GLN LYS VAL GLY GLU PHE SER GLY SEQRES 8 A 105 ALA ASN LYS GLU LYS LEU GLU ALA THR ILE ASN GLU LEU SEQRES 9 A 105 VAL FORMUL 2 HOH *6(H2 O) HELIX 1 1 SER A 7 GLY A 19 1 13 HELIX 2 2 GLY A 33 MET A 37 5 5 HELIX 3 3 ILE A 38 TYR A 49 1 12 HELIX 4 4 ALA A 62 GLU A 70 1 9 HELIX 5 5 GLU A 95 ASN A 102 1 8 SHEET 1 A 5 VAL A 2 ILE A 5 0 SHEET 2 A 5 ILE A 53 ASP A 58 1 O PHE A 54 N LYS A 3 SHEET 3 A 5 LEU A 22 SER A 28 1 O LEU A 22 N ILE A 53 SHEET 4 A 5 THR A 76 LYS A 81 -1 O THR A 76 N PHE A 27 SHEET 5 A 5 GLN A 84 SER A 90 -1 N GLN A 84 O LYS A 81 CISPEP 1 THR A 74 PRO A 75 0 -1.06 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 32 CYS SG : rot -171:sc= -1.22! USER MOD Set 1.2: A 35 CYS SG : rot 180:sc= 0.45 USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0.0968 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00185 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.128 (180deg=-0.878) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 92:sc= 0.956 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.901 K(o=-0.9,f=-0.36) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 118:sc= -0.626 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 51 ASN : amide:sc= -0.746 X(o=-0.75,f=-0.84) USER MOD Single : A 63 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.057) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0435 USER MOD Single : A 76 THR OG1 : rot 80:sc= -0.692! USER MOD Single : A 78 GLN : amide:sc= -5.21! K(o=-5.2!,f=-2.8) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.295 K(o=-0.3,f=-2.4!) USER MOD Single : A 85 LYS NZ :NH3+ -162:sc= 1.09 (180deg=0.827) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.28 K(o=-1.3,f=-9.2!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 86:sc= 0.305 USER MOD Single : A 102 ASN : amide:sc= -0.409 K(o=-0.41,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.936 -2.792 9.472 1.00 0.73 N ATOM 2 CA MET A 1 -6.910 -1.813 9.932 1.00 0.31 C ATOM 3 C MET A 1 -5.753 -1.781 8.928 1.00 0.24 C ATOM 4 O MET A 1 -5.960 -1.717 7.733 1.00 0.21 O ATOM 5 CB MET A 1 -6.389 -2.235 11.311 1.00 0.70 C ATOM 6 CG MET A 1 -7.550 -2.771 12.150 1.00 1.55 C ATOM 7 SD MET A 1 -7.008 -2.989 13.863 1.00 2.25 S ATOM 8 CE MET A 1 -8.617 -3.445 14.551 1.00 2.89 C ATOM 0 H1 MET A 1 -8.831 -2.617 9.971 1.00 0.73 H new ATOM 0 H2 MET A 1 -8.084 -2.685 8.448 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.610 -3.758 9.675 1.00 0.73 H new ATOM 0 HA MET A 1 -7.353 -0.820 10.002 1.00 0.31 H new ATOM 0 HB2 MET A 1 -5.620 -3.000 11.203 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.925 -1.386 11.812 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.392 -2.080 12.109 1.00 1.55 H new ATOM 0 HG3 MET A 1 -7.898 -3.721 11.744 1.00 1.55 H new ATOM 0 HE1 MET A 1 -8.516 -3.629 15.621 1.00 2.89 H new ATOM 0 HE2 MET A 1 -9.326 -2.633 14.388 1.00 2.89 H new ATOM 0 HE3 MET A 1 -8.980 -4.348 14.060 1.00 2.89 H new ATOM 20 N VAL A 2 -4.536 -1.830 9.408 1.00 0.24 N ATOM 21 CA VAL A 2 -3.351 -1.811 8.494 1.00 0.19 C ATOM 22 C VAL A 2 -2.343 -2.859 8.972 1.00 0.22 C ATOM 23 O VAL A 2 -2.512 -3.464 10.012 1.00 0.28 O ATOM 24 CB VAL A 2 -2.706 -0.418 8.523 1.00 0.20 C ATOM 25 CG1 VAL A 2 -1.645 -0.302 7.419 1.00 0.18 C ATOM 26 CG2 VAL A 2 -3.786 0.644 8.302 1.00 0.30 C ATOM 0 H VAL A 2 -4.310 -1.883 10.401 1.00 0.24 H new ATOM 0 HA VAL A 2 -3.662 -2.038 7.474 1.00 0.19 H new ATOM 0 HB VAL A 2 -2.229 -0.267 9.491 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -1.195 0.690 7.450 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.873 -1.056 7.575 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -2.113 -0.458 6.447 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -3.332 1.635 8.322 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -4.262 0.483 7.335 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -4.534 0.572 9.091 1.00 0.30 H new ATOM 36 N LYS A 3 -1.298 -3.084 8.222 1.00 0.18 N ATOM 37 CA LYS A 3 -0.279 -4.097 8.632 1.00 0.22 C ATOM 38 C LYS A 3 1.098 -3.655 8.140 1.00 0.16 C ATOM 39 O LYS A 3 1.302 -3.408 6.967 1.00 0.13 O ATOM 40 CB LYS A 3 -0.625 -5.457 8.011 1.00 0.26 C ATOM 41 CG LYS A 3 0.433 -6.497 8.407 1.00 0.34 C ATOM 42 CD LYS A 3 0.061 -7.874 7.827 1.00 0.81 C ATOM 43 CE LYS A 3 -1.029 -8.577 8.671 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.627 -9.997 8.889 1.00 1.97 N ATOM 0 H LYS A 3 -1.104 -2.609 7.340 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.272 -4.185 9.718 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.610 -5.781 8.348 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.673 -5.369 6.926 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.412 -6.190 8.038 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.506 -6.558 9.493 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -0.293 -7.754 6.803 1.00 0.81 H new ATOM 0 HD3 LYS A 3 0.950 -8.503 7.785 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -1.152 -8.069 9.627 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -1.990 -8.531 8.159 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -1.353 -10.480 9.456 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -0.530 -10.475 7.971 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 0.282 -10.027 9.393 1.00 1.97 H new ATOM 58 N GLN A 4 2.047 -3.563 9.027 1.00 0.18 N ATOM 59 CA GLN A 4 3.417 -3.151 8.617 1.00 0.15 C ATOM 60 C GLN A 4 4.155 -4.365 8.052 1.00 0.13 C ATOM 61 O GLN A 4 4.274 -5.386 8.699 1.00 0.14 O ATOM 62 CB GLN A 4 4.172 -2.612 9.835 1.00 0.20 C ATOM 63 CG GLN A 4 5.546 -2.094 9.403 1.00 0.21 C ATOM 64 CD GLN A 4 6.296 -1.561 10.624 1.00 0.27 C ATOM 65 OE1 GLN A 4 7.003 -2.295 11.286 1.00 0.81 O ATOM 66 NE2 GLN A 4 6.171 -0.304 10.955 1.00 0.98 N ATOM 0 H GLN A 4 1.933 -3.756 10.022 1.00 0.18 H new ATOM 0 HA GLN A 4 3.357 -2.372 7.857 1.00 0.15 H new ATOM 0 HB2 GLN A 4 3.601 -1.810 10.303 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.287 -3.399 10.581 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.117 -2.895 8.933 1.00 0.21 H new ATOM 0 HG3 GLN A 4 5.432 -1.305 8.660 1.00 0.21 H new ATOM 0 HE21 GLN A 4 5.578 0.313 10.400 1.00 0.98 H new ATOM 0 HE22 GLN A 4 6.667 0.061 11.768 1.00 0.98 H new ATOM 75 N ILE A 5 4.652 -4.264 6.849 1.00 0.10 N ATOM 76 CA ILE A 5 5.382 -5.415 6.239 1.00 0.10 C ATOM 77 C ILE A 5 6.868 -5.301 6.587 1.00 0.10 C ATOM 78 O ILE A 5 7.508 -4.308 6.300 1.00 0.11 O ATOM 79 CB ILE A 5 5.213 -5.376 4.714 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.722 -5.209 4.333 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.780 -6.657 4.082 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.803 -6.040 5.245 1.00 0.19 C ATOM 0 H ILE A 5 4.585 -3.434 6.261 1.00 0.10 H new ATOM 0 HA ILE A 5 4.981 -6.353 6.624 1.00 0.10 H new ATOM 0 HB ILE A 5 5.766 -4.519 4.330 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.445 -4.157 4.400 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.576 -5.512 3.296 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.653 -6.616 3.000 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.840 -6.742 4.320 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.249 -7.523 4.477 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.765 -5.895 4.945 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.062 -7.095 5.158 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.930 -5.719 6.279 1.00 0.19 H new ATOM 94 N GLU A 6 7.424 -6.310 7.205 1.00 0.11 N ATOM 95 CA GLU A 6 8.870 -6.265 7.575 1.00 0.14 C ATOM 96 C GLU A 6 9.707 -6.883 6.455 1.00 0.14 C ATOM 97 O GLU A 6 10.856 -6.536 6.262 1.00 0.17 O ATOM 98 CB GLU A 6 9.088 -7.057 8.865 1.00 0.18 C ATOM 99 CG GLU A 6 8.150 -6.528 9.952 1.00 0.31 C ATOM 100 CD GLU A 6 8.283 -7.392 11.208 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.129 -7.082 12.031 1.00 1.97 O ATOM 102 OE2 GLU A 6 7.534 -8.348 11.326 1.00 1.96 O ATOM 0 H GLU A 6 6.937 -7.166 7.470 1.00 0.11 H new ATOM 0 HA GLU A 6 9.173 -5.229 7.724 1.00 0.14 H new ATOM 0 HB2 GLU A 6 8.899 -8.116 8.690 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.125 -6.967 9.189 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.393 -5.491 10.184 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.120 -6.542 9.596 1.00 0.31 H new ATOM 109 N SER A 7 9.144 -7.799 5.714 1.00 0.13 N ATOM 110 CA SER A 7 9.914 -8.437 4.609 1.00 0.15 C ATOM 111 C SER A 7 8.949 -9.054 3.596 1.00 0.14 C ATOM 112 O SER A 7 7.770 -8.759 3.587 1.00 0.12 O ATOM 113 CB SER A 7 10.812 -9.531 5.183 1.00 0.20 C ATOM 114 OG SER A 7 10.029 -10.683 5.465 1.00 0.23 O ATOM 0 H SER A 7 8.186 -8.132 5.826 1.00 0.13 H new ATOM 0 HA SER A 7 10.525 -7.683 4.113 1.00 0.15 H new ATOM 0 HB2 SER A 7 11.601 -9.779 4.473 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.300 -9.177 6.092 1.00 0.20 H new ATOM 0 HG SER A 7 10.603 -11.387 5.832 1.00 0.23 H new ATOM 120 N LYS A 8 9.437 -9.910 2.742 1.00 0.15 N ATOM 121 CA LYS A 8 8.546 -10.544 1.731 1.00 0.14 C ATOM 122 C LYS A 8 7.769 -11.689 2.382 1.00 0.14 C ATOM 123 O LYS A 8 6.705 -12.066 1.932 1.00 0.13 O ATOM 124 CB LYS A 8 9.387 -11.091 0.575 1.00 0.17 C ATOM 125 CG LYS A 8 8.460 -11.609 -0.525 1.00 0.21 C ATOM 126 CD LYS A 8 9.295 -12.148 -1.689 1.00 0.22 C ATOM 127 CE LYS A 8 8.370 -12.568 -2.836 1.00 1.06 C ATOM 128 NZ LYS A 8 9.105 -13.478 -3.760 1.00 1.90 N ATOM 0 H LYS A 8 10.415 -10.198 2.701 1.00 0.15 H new ATOM 0 HA LYS A 8 7.847 -9.800 1.349 1.00 0.14 H new ATOM 0 HB2 LYS A 8 10.036 -10.309 0.181 1.00 0.17 H new ATOM 0 HB3 LYS A 8 10.034 -11.894 0.929 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.816 -12.396 -0.131 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.808 -10.807 -0.872 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.993 -11.385 -2.033 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.891 -12.999 -1.359 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.487 -13.070 -2.440 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.021 -11.688 -3.376 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.477 -13.763 -4.539 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.934 -12.984 -4.147 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.417 -14.323 -3.240 1.00 1.90 H new ATOM 142 N THR A 9 8.290 -12.246 3.441 1.00 0.16 N ATOM 143 CA THR A 9 7.576 -13.364 4.117 1.00 0.18 C ATOM 144 C THR A 9 6.195 -12.889 4.563 1.00 0.16 C ATOM 145 O THR A 9 5.191 -13.503 4.266 1.00 0.17 O ATOM 146 CB THR A 9 8.380 -13.819 5.337 1.00 0.21 C ATOM 147 OG1 THR A 9 9.737 -14.011 4.962 1.00 0.24 O ATOM 148 CG2 THR A 9 7.804 -15.132 5.870 1.00 0.25 C ATOM 0 H THR A 9 9.177 -11.976 3.866 1.00 0.16 H new ATOM 0 HA THR A 9 7.466 -14.198 3.424 1.00 0.18 H new ATOM 0 HB THR A 9 8.322 -13.058 6.116 1.00 0.21 H new ATOM 0 HG1 THR A 9 10.254 -14.301 5.742 1.00 0.24 H new ATOM 0 HG21 THR A 9 8.378 -15.455 6.739 1.00 0.25 H new ATOM 0 HG22 THR A 9 6.763 -14.983 6.157 1.00 0.25 H new ATOM 0 HG23 THR A 9 7.860 -15.895 5.094 1.00 0.25 H new ATOM 156 N ALA A 10 6.136 -11.802 5.278 1.00 0.16 N ATOM 157 CA ALA A 10 4.818 -11.287 5.748 1.00 0.17 C ATOM 158 C ALA A 10 3.997 -10.804 4.551 1.00 0.15 C ATOM 159 O ALA A 10 2.785 -10.868 4.553 1.00 0.17 O ATOM 160 CB ALA A 10 5.043 -10.123 6.718 1.00 0.20 C ATOM 0 H ALA A 10 6.944 -11.246 5.558 1.00 0.16 H new ATOM 0 HA ALA A 10 4.278 -12.086 6.256 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.080 -9.745 7.063 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.624 -10.469 7.573 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.585 -9.325 6.210 1.00 0.20 H new ATOM 166 N PHE A 11 4.646 -10.321 3.528 1.00 0.12 N ATOM 167 CA PHE A 11 3.898 -9.833 2.335 1.00 0.11 C ATOM 168 C PHE A 11 3.064 -10.977 1.750 1.00 0.13 C ATOM 169 O PHE A 11 1.901 -10.814 1.441 1.00 0.16 O ATOM 170 CB PHE A 11 4.890 -9.332 1.282 1.00 0.10 C ATOM 171 CG PHE A 11 4.135 -8.694 0.137 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.470 -7.467 0.330 1.00 0.16 C ATOM 173 CD2 PHE A 11 4.098 -9.324 -1.123 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.770 -6.870 -0.736 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.397 -8.726 -2.189 1.00 0.18 C ATOM 176 CZ PHE A 11 2.733 -7.499 -1.994 1.00 0.21 C ATOM 0 H PHE A 11 5.661 -10.243 3.466 1.00 0.12 H new ATOM 0 HA PHE A 11 3.237 -9.018 2.629 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.574 -8.610 1.727 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.496 -10.161 0.915 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.497 -6.984 1.296 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.607 -10.265 -1.272 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.261 -5.929 -0.588 1.00 0.20 H new ATOM 0 HE2 PHE A 11 3.369 -9.208 -3.155 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.195 -7.041 -2.811 1.00 0.21 H new ATOM 186 N GLN A 12 3.650 -12.133 1.596 1.00 0.15 N ATOM 187 CA GLN A 12 2.890 -13.283 1.028 1.00 0.19 C ATOM 188 C GLN A 12 1.763 -13.684 1.980 1.00 0.17 C ATOM 189 O GLN A 12 0.614 -13.775 1.593 1.00 0.16 O ATOM 190 CB GLN A 12 3.830 -14.476 0.830 1.00 0.24 C ATOM 191 CG GLN A 12 4.768 -14.215 -0.351 1.00 1.21 C ATOM 192 CD GLN A 12 5.465 -15.521 -0.744 1.00 1.77 C ATOM 193 OE1 GLN A 12 6.649 -15.682 -0.523 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.772 -16.465 -1.321 1.00 2.47 N ATOM 0 H GLN A 12 4.621 -12.331 1.839 1.00 0.15 H new ATOM 0 HA GLN A 12 2.466 -12.987 0.068 1.00 0.19 H new ATOM 0 HB2 GLN A 12 4.412 -14.645 1.736 1.00 0.24 H new ATOM 0 HB3 GLN A 12 3.249 -15.381 0.650 1.00 0.24 H new ATOM 0 HG2 GLN A 12 4.205 -13.821 -1.197 1.00 1.21 H new ATOM 0 HG3 GLN A 12 5.508 -13.461 -0.082 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.778 -16.328 -1.506 1.00 2.47 H new ATOM 0 HE22 GLN A 12 5.224 -17.340 -1.587 1.00 2.47 H new ATOM 203 N GLU A 13 2.080 -13.937 3.218 1.00 0.19 N ATOM 204 CA GLU A 13 1.022 -14.345 4.185 1.00 0.20 C ATOM 205 C GLU A 13 -0.048 -13.257 4.264 1.00 0.18 C ATOM 206 O GLU A 13 -1.191 -13.522 4.578 1.00 0.19 O ATOM 207 CB GLU A 13 1.638 -14.572 5.571 1.00 0.25 C ATOM 208 CG GLU A 13 2.818 -15.563 5.470 1.00 0.30 C ATOM 209 CD GLU A 13 2.935 -16.381 6.763 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.417 -15.936 7.773 1.00 2.10 O ATOM 211 OE2 GLU A 13 3.540 -17.440 6.716 1.00 2.03 O ATOM 0 H GLU A 13 3.023 -13.879 3.602 1.00 0.19 H new ATOM 0 HA GLU A 13 0.566 -15.275 3.845 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.983 -13.624 5.984 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.883 -14.961 6.254 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.670 -16.230 4.621 1.00 0.30 H new ATOM 0 HG3 GLU A 13 3.745 -15.019 5.290 1.00 0.30 H new ATOM 218 N ALA A 14 0.302 -12.034 3.972 1.00 0.18 N ATOM 219 CA ALA A 14 -0.712 -10.944 4.022 1.00 0.18 C ATOM 220 C ALA A 14 -1.726 -11.166 2.899 1.00 0.18 C ATOM 221 O ALA A 14 -2.921 -11.095 3.103 1.00 0.19 O ATOM 222 CB ALA A 14 -0.027 -9.590 3.833 1.00 0.20 C ATOM 0 H ALA A 14 1.242 -11.744 3.702 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.217 -10.953 4.988 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.773 -8.796 3.870 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.704 -9.438 4.627 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.477 -9.569 2.867 1.00 0.20 H new ATOM 228 N LEU A 15 -1.254 -11.450 1.715 1.00 0.17 N ATOM 229 CA LEU A 15 -2.185 -11.694 0.580 1.00 0.18 C ATOM 230 C LEU A 15 -2.976 -12.972 0.858 1.00 0.18 C ATOM 231 O LEU A 15 -4.071 -13.159 0.365 1.00 0.18 O ATOM 232 CB LEU A 15 -1.382 -11.863 -0.715 1.00 0.19 C ATOM 233 CG LEU A 15 -0.535 -10.608 -0.975 1.00 0.24 C ATOM 234 CD1 LEU A 15 0.449 -10.886 -2.115 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.441 -9.427 -1.358 1.00 0.62 C ATOM 0 H LEU A 15 -0.263 -11.523 1.486 1.00 0.17 H new ATOM 0 HA LEU A 15 -2.867 -10.850 0.472 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -0.737 -12.738 -0.641 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -2.058 -12.035 -1.552 1.00 0.19 H new ATOM 0 HG LEU A 15 0.013 -10.355 -0.068 1.00 0.24 H new ATOM 0 HD11 LEU A 15 1.051 -9.997 -2.301 1.00 0.18 H new ATOM 0 HD12 LEU A 15 1.101 -11.714 -1.839 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -0.104 -11.145 -3.018 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.829 -8.543 -1.540 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -1.999 -9.674 -2.261 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -2.138 -9.225 -0.545 1.00 0.62 H new ATOM 247 N ASP A 16 -2.427 -13.853 1.648 1.00 0.19 N ATOM 248 CA ASP A 16 -3.141 -15.122 1.965 1.00 0.21 C ATOM 249 C ASP A 16 -4.321 -14.826 2.893 1.00 0.20 C ATOM 250 O ASP A 16 -5.412 -15.324 2.704 1.00 0.20 O ATOM 251 CB ASP A 16 -2.177 -16.087 2.659 1.00 0.24 C ATOM 252 CG ASP A 16 -2.836 -17.460 2.795 1.00 0.28 C ATOM 253 OD1 ASP A 16 -3.513 -17.676 3.787 1.00 1.07 O ATOM 254 OD2 ASP A 16 -2.653 -18.275 1.905 1.00 1.09 O ATOM 0 H ASP A 16 -1.513 -13.749 2.089 1.00 0.19 H new ATOM 0 HA ASP A 16 -3.509 -15.573 1.043 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -1.254 -16.171 2.085 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -1.907 -15.703 3.643 1.00 0.24 H new ATOM 259 N ALA A 17 -4.107 -14.020 3.895 1.00 0.22 N ATOM 260 CA ALA A 17 -5.211 -13.691 4.839 1.00 0.24 C ATOM 261 C ALA A 17 -6.226 -12.776 4.146 1.00 0.21 C ATOM 262 O ALA A 17 -7.372 -12.697 4.541 1.00 0.22 O ATOM 263 CB ALA A 17 -4.632 -12.985 6.071 1.00 0.30 C ATOM 0 H ALA A 17 -3.213 -13.574 4.101 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.711 -14.608 5.149 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.438 -12.743 6.764 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.915 -13.642 6.563 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -4.131 -12.068 5.763 1.00 0.30 H new ATOM 269 N ALA A 18 -5.817 -12.085 3.118 1.00 0.21 N ATOM 270 CA ALA A 18 -6.765 -11.180 2.408 1.00 0.22 C ATOM 271 C ALA A 18 -7.871 -12.013 1.756 1.00 0.21 C ATOM 272 O ALA A 18 -9.024 -11.628 1.739 1.00 0.24 O ATOM 273 CB ALA A 18 -6.015 -10.391 1.333 1.00 0.23 C ATOM 0 H ALA A 18 -4.870 -12.107 2.739 1.00 0.21 H new ATOM 0 HA ALA A 18 -7.207 -10.484 3.122 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.710 -9.730 0.815 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.229 -9.797 1.799 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -5.571 -11.083 0.617 1.00 0.23 H new ATOM 279 N GLY A 19 -7.531 -13.156 1.222 1.00 0.22 N ATOM 280 CA GLY A 19 -8.563 -14.020 0.575 1.00 0.24 C ATOM 281 C GLY A 19 -8.731 -13.616 -0.891 1.00 0.20 C ATOM 282 O GLY A 19 -7.936 -13.974 -1.738 1.00 0.28 O ATOM 0 H GLY A 19 -6.582 -13.530 1.206 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -8.268 -15.067 0.642 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -9.513 -13.923 1.100 1.00 0.24 H new ATOM 286 N ASP A 20 -9.765 -12.873 -1.198 1.00 0.13 N ATOM 287 CA ASP A 20 -10.003 -12.441 -2.612 1.00 0.18 C ATOM 288 C ASP A 20 -10.452 -10.977 -2.622 1.00 0.15 C ATOM 289 O ASP A 20 -10.805 -10.431 -3.648 1.00 0.22 O ATOM 290 CB ASP A 20 -11.103 -13.314 -3.235 1.00 0.26 C ATOM 291 CG ASP A 20 -10.517 -14.662 -3.662 1.00 1.43 C ATOM 292 OD1 ASP A 20 -9.355 -14.898 -3.380 1.00 2.21 O ATOM 293 OD2 ASP A 20 -11.243 -15.435 -4.265 1.00 2.19 O ATOM 0 H ASP A 20 -10.459 -12.545 -0.527 1.00 0.13 H new ATOM 0 HA ASP A 20 -9.084 -12.548 -3.187 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -11.908 -13.468 -2.516 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -11.538 -12.807 -4.096 1.00 0.26 H new ATOM 298 N LYS A 21 -10.442 -10.340 -1.486 1.00 0.12 N ATOM 299 CA LYS A 21 -10.872 -8.915 -1.426 1.00 0.19 C ATOM 300 C LYS A 21 -9.768 -8.023 -1.999 1.00 0.15 C ATOM 301 O LYS A 21 -8.651 -8.456 -2.205 1.00 0.15 O ATOM 302 CB LYS A 21 -11.139 -8.529 0.030 1.00 0.27 C ATOM 303 CG LYS A 21 -12.096 -9.544 0.659 1.00 0.29 C ATOM 304 CD LYS A 21 -12.456 -9.096 2.079 1.00 0.30 C ATOM 305 CE LYS A 21 -13.681 -9.873 2.568 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.111 -9.339 3.892 1.00 1.90 N ATOM 0 H LYS A 21 -10.154 -10.744 -0.595 1.00 0.12 H new ATOM 0 HA LYS A 21 -11.782 -8.783 -2.011 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.203 -8.502 0.588 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.569 -7.529 0.079 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -12.999 -9.632 0.054 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -11.632 -10.530 0.684 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.614 -9.266 2.749 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -12.663 -8.026 2.092 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.493 -9.784 1.847 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -13.443 -10.933 2.651 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.943 -9.866 4.225 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.336 -9.446 4.578 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -14.354 -8.332 3.798 1.00 1.90 H new ATOM 320 N LEU A 22 -10.068 -6.778 -2.252 1.00 0.13 N ATOM 321 CA LEU A 22 -9.032 -5.859 -2.806 1.00 0.11 C ATOM 322 C LEU A 22 -7.904 -5.725 -1.771 1.00 0.10 C ATOM 323 O LEU A 22 -8.110 -5.927 -0.591 1.00 0.11 O ATOM 324 CB LEU A 22 -9.680 -4.476 -3.085 1.00 0.12 C ATOM 325 CG LEU A 22 -9.442 -4.029 -4.536 1.00 0.13 C ATOM 326 CD1 LEU A 22 -10.297 -2.793 -4.824 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.966 -3.670 -4.738 1.00 0.11 C ATOM 0 H LEU A 22 -10.985 -6.357 -2.099 1.00 0.13 H new ATOM 0 HA LEU A 22 -8.625 -6.249 -3.739 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.751 -4.528 -2.890 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.267 -3.734 -2.402 1.00 0.12 H new ATOM 0 HG LEU A 22 -9.712 -4.841 -5.211 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -10.134 -2.469 -5.852 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -11.350 -3.038 -4.683 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -10.017 -1.990 -4.142 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.806 -3.354 -5.769 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.693 -2.858 -4.064 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.347 -4.542 -4.525 1.00 0.11 H new ATOM 339 N VAL A 23 -6.718 -5.381 -2.201 1.00 0.08 N ATOM 340 CA VAL A 23 -5.588 -5.231 -1.237 1.00 0.09 C ATOM 341 C VAL A 23 -4.650 -4.131 -1.725 1.00 0.08 C ATOM 342 O VAL A 23 -3.799 -4.352 -2.564 1.00 0.09 O ATOM 343 CB VAL A 23 -4.810 -6.548 -1.129 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.717 -6.409 -0.060 1.00 0.12 C ATOM 345 CG2 VAL A 23 -5.770 -7.682 -0.747 1.00 0.10 C ATOM 0 H VAL A 23 -6.483 -5.198 -3.177 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.988 -4.970 -0.257 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.348 -6.779 -2.089 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.163 -7.345 0.018 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.035 -5.606 -0.339 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.176 -6.178 0.901 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.216 -8.618 -0.671 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.236 -7.457 0.212 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.541 -7.779 -1.511 1.00 0.10 H new ATOM 355 N VAL A 24 -4.795 -2.945 -1.198 1.00 0.08 N ATOM 356 CA VAL A 24 -3.910 -1.824 -1.620 1.00 0.08 C ATOM 357 C VAL A 24 -2.643 -1.848 -0.765 1.00 0.08 C ATOM 358 O VAL A 24 -2.595 -2.483 0.269 1.00 0.08 O ATOM 359 CB VAL A 24 -4.638 -0.492 -1.418 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.879 0.627 -2.137 1.00 0.09 C ATOM 361 CG2 VAL A 24 -6.053 -0.595 -1.992 1.00 0.09 C ATOM 0 H VAL A 24 -5.490 -2.705 -0.492 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.650 -1.934 -2.673 1.00 0.08 H new ATOM 0 HB VAL A 24 -4.689 -0.267 -0.353 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -4.401 1.573 -1.991 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.870 0.702 -1.730 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.825 0.404 -3.203 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -6.573 0.352 -1.849 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.998 -0.822 -3.057 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.597 -1.388 -1.479 1.00 0.09 H new ATOM 371 N VAL A 25 -1.617 -1.162 -1.192 1.00 0.09 N ATOM 372 CA VAL A 25 -0.341 -1.138 -0.413 1.00 0.09 C ATOM 373 C VAL A 25 0.199 0.289 -0.393 1.00 0.10 C ATOM 374 O VAL A 25 -0.018 1.051 -1.312 1.00 0.17 O ATOM 375 CB VAL A 25 0.681 -2.057 -1.084 1.00 0.10 C ATOM 376 CG1 VAL A 25 1.924 -2.174 -0.199 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.068 -3.445 -1.284 1.00 0.09 C ATOM 0 H VAL A 25 -1.606 -0.613 -2.052 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.523 -1.481 0.606 1.00 0.09 H new ATOM 0 HB VAL A 25 0.961 -1.640 -2.051 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.651 -2.829 -0.678 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.363 -1.187 -0.056 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.644 -2.590 0.769 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.797 -4.099 -1.762 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.214 -3.861 -0.317 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.817 -3.364 -1.916 1.00 0.09 H new ATOM 387 N ASP A 26 0.893 0.657 0.656 1.00 0.08 N ATOM 388 CA ASP A 26 1.451 2.045 0.757 1.00 0.08 C ATOM 389 C ASP A 26 2.971 1.981 0.922 1.00 0.08 C ATOM 390 O ASP A 26 3.479 1.588 1.953 1.00 0.09 O ATOM 391 CB ASP A 26 0.837 2.743 1.975 1.00 0.09 C ATOM 392 CG ASP A 26 1.505 4.104 2.181 1.00 0.09 C ATOM 393 OD1 ASP A 26 1.187 5.016 1.436 1.00 0.96 O ATOM 394 OD2 ASP A 26 2.322 4.210 3.079 1.00 0.93 O ATOM 0 H ASP A 26 1.099 0.053 1.452 1.00 0.08 H new ATOM 0 HA ASP A 26 1.212 2.601 -0.150 1.00 0.08 H new ATOM 0 HB2 ASP A 26 -0.236 2.872 1.830 1.00 0.09 H new ATOM 0 HB3 ASP A 26 0.967 2.125 2.864 1.00 0.09 H new ATOM 399 N PHE A 27 3.699 2.380 -0.089 1.00 0.08 N ATOM 400 CA PHE A 27 5.193 2.365 -0.003 1.00 0.09 C ATOM 401 C PHE A 27 5.673 3.785 0.303 1.00 0.11 C ATOM 402 O PHE A 27 5.744 4.623 -0.574 1.00 0.13 O ATOM 403 CB PHE A 27 5.780 1.922 -1.344 1.00 0.10 C ATOM 404 CG PHE A 27 5.559 0.442 -1.549 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.338 -0.021 -2.074 1.00 0.19 C ATOM 406 CD2 PHE A 27 6.579 -0.475 -1.226 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.135 -1.401 -2.275 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.376 -1.853 -1.429 1.00 0.21 C ATOM 409 CZ PHE A 27 5.154 -2.316 -1.952 1.00 0.23 C ATOM 0 H PHE A 27 3.323 2.717 -0.975 1.00 0.08 H new ATOM 0 HA PHE A 27 5.513 1.675 0.778 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.315 2.482 -2.155 1.00 0.10 H new ATOM 0 HB3 PHE A 27 6.847 2.145 -1.373 1.00 0.10 H new ATOM 0 HD1 PHE A 27 3.556 0.682 -2.323 1.00 0.19 H new ATOM 0 HD2 PHE A 27 7.516 -0.121 -0.823 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.198 -1.756 -2.677 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.159 -2.556 -1.183 1.00 0.21 H new ATOM 0 HZ PHE A 27 4.998 -3.374 -2.105 1.00 0.23 H new ATOM 419 N SER A 28 5.996 4.061 1.542 1.00 0.11 N ATOM 420 CA SER A 28 6.466 5.432 1.927 1.00 0.12 C ATOM 421 C SER A 28 7.906 5.354 2.434 1.00 0.10 C ATOM 422 O SER A 28 8.571 4.347 2.295 1.00 0.11 O ATOM 423 CB SER A 28 5.569 5.977 3.039 1.00 0.17 C ATOM 424 OG SER A 28 4.209 5.726 2.711 1.00 1.03 O ATOM 0 H SER A 28 5.955 3.392 2.310 1.00 0.11 H new ATOM 0 HA SER A 28 6.421 6.090 1.060 1.00 0.12 H new ATOM 0 HB2 SER A 28 5.819 5.504 3.989 1.00 0.17 H new ATOM 0 HB3 SER A 28 5.734 7.047 3.163 1.00 0.17 H new ATOM 0 HG SER A 28 3.935 4.865 3.090 1.00 1.03 H new ATOM 430 N ALA A 29 8.392 6.418 3.021 1.00 0.10 N ATOM 431 CA ALA A 29 9.792 6.431 3.544 1.00 0.15 C ATOM 432 C ALA A 29 9.809 7.100 4.924 1.00 0.18 C ATOM 433 O ALA A 29 9.556 8.281 5.054 1.00 0.26 O ATOM 434 CB ALA A 29 10.685 7.212 2.572 1.00 0.19 C ATOM 0 H ALA A 29 7.874 7.286 3.161 1.00 0.10 H new ATOM 0 HA ALA A 29 10.166 5.411 3.635 1.00 0.15 H new ATOM 0 HB1 ALA A 29 11.708 7.225 2.948 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.664 6.732 1.593 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.318 8.235 2.483 1.00 0.19 H new ATOM 440 N THR A 30 10.106 6.352 5.951 1.00 0.18 N ATOM 441 CA THR A 30 10.139 6.943 7.320 1.00 0.23 C ATOM 442 C THR A 30 11.312 7.920 7.425 1.00 0.26 C ATOM 443 O THR A 30 11.156 9.050 7.842 1.00 0.31 O ATOM 444 CB THR A 30 10.301 5.826 8.358 1.00 0.26 C ATOM 445 OG1 THR A 30 10.378 6.398 9.656 1.00 0.32 O ATOM 446 CG2 THR A 30 11.579 5.027 8.076 1.00 0.28 C ATOM 0 H THR A 30 10.327 5.357 5.902 1.00 0.18 H new ATOM 0 HA THR A 30 9.207 7.476 7.509 1.00 0.23 H new ATOM 0 HB THR A 30 9.443 5.157 8.300 1.00 0.26 H new ATOM 0 HG1 THR A 30 10.480 5.686 10.322 1.00 0.32 H new ATOM 0 HG21 THR A 30 11.685 4.236 8.819 1.00 0.28 H new ATOM 0 HG22 THR A 30 11.520 4.585 7.081 1.00 0.28 H new ATOM 0 HG23 THR A 30 12.442 5.691 8.127 1.00 0.28 H new ATOM 454 N TRP A 31 12.486 7.494 7.049 1.00 0.26 N ATOM 455 CA TRP A 31 13.669 8.399 7.126 1.00 0.32 C ATOM 456 C TRP A 31 13.350 9.720 6.423 1.00 0.32 C ATOM 457 O TRP A 31 13.964 10.737 6.684 1.00 0.36 O ATOM 458 CB TRP A 31 14.857 7.733 6.431 1.00 0.34 C ATOM 459 CG TRP A 31 14.466 7.365 5.037 1.00 0.30 C ATOM 460 CD1 TRP A 31 13.708 6.295 4.700 1.00 0.26 C ATOM 461 CD2 TRP A 31 14.793 8.046 3.790 1.00 0.33 C ATOM 462 NE1 TRP A 31 13.549 6.272 3.325 1.00 0.25 N ATOM 463 CE2 TRP A 31 14.195 7.330 2.717 1.00 0.29 C ATOM 464 CE3 TRP A 31 15.540 9.208 3.485 1.00 0.40 C ATOM 465 CZ2 TRP A 31 14.338 7.749 1.388 1.00 0.32 C ATOM 466 CZ3 TRP A 31 15.685 9.633 2.147 1.00 0.44 C ATOM 467 CH2 TRP A 31 15.083 8.905 1.101 1.00 0.40 C ATOM 0 H TRP A 31 12.678 6.558 6.692 1.00 0.26 H new ATOM 0 HA TRP A 31 13.912 8.593 8.171 1.00 0.32 H new ATOM 0 HB2 TRP A 31 15.711 8.410 6.415 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.165 6.844 6.982 1.00 0.34 H new ATOM 0 HD1 TRP A 31 13.294 5.576 5.392 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.019 5.560 2.822 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.002 9.773 4.281 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 13.878 7.187 0.589 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 16.260 10.520 1.924 1.00 0.44 H new ATOM 0 HH2 TRP A 31 15.194 9.236 0.079 1.00 0.40 H new ATOM 478 N CYS A 32 12.400 9.714 5.526 1.00 0.28 N ATOM 479 CA CYS A 32 12.044 10.967 4.797 1.00 0.30 C ATOM 480 C CYS A 32 10.989 11.744 5.587 1.00 0.31 C ATOM 481 O CYS A 32 10.289 11.196 6.416 1.00 0.29 O ATOM 482 CB CYS A 32 11.488 10.603 3.418 1.00 0.28 C ATOM 483 SG CYS A 32 10.710 12.056 2.669 1.00 0.32 S ATOM 0 H CYS A 32 11.853 8.893 5.266 1.00 0.28 H new ATOM 0 HA CYS A 32 12.932 11.588 4.684 1.00 0.30 H new ATOM 0 HB2 CYS A 32 12.290 10.237 2.777 1.00 0.28 H new ATOM 0 HB3 CYS A 32 10.761 9.796 3.510 1.00 0.28 H new ATOM 0 HG CYS A 32 10.086 11.703 1.584 1.00 0.32 H new ATOM 489 N GLY A 33 10.875 13.025 5.340 1.00 0.34 N ATOM 490 CA GLY A 33 9.872 13.858 6.075 1.00 0.36 C ATOM 491 C GLY A 33 8.588 14.008 5.242 1.00 0.35 C ATOM 492 O GLY A 33 7.556 13.494 5.621 1.00 0.33 O ATOM 0 H GLY A 33 11.437 13.533 4.657 1.00 0.34 H new ATOM 0 HA2 GLY A 33 9.639 13.396 7.034 1.00 0.36 H new ATOM 0 HA3 GLY A 33 10.292 14.841 6.288 1.00 0.36 H new ATOM 496 N PRO A 34 8.675 14.713 4.132 1.00 0.37 N ATOM 497 CA PRO A 34 7.503 14.929 3.262 1.00 0.38 C ATOM 498 C PRO A 34 6.854 13.585 2.894 1.00 0.35 C ATOM 499 O PRO A 34 5.650 13.435 2.942 1.00 0.36 O ATOM 500 CB PRO A 34 8.061 15.659 2.016 1.00 0.42 C ATOM 501 CG PRO A 34 9.567 15.955 2.283 1.00 0.44 C ATOM 502 CD PRO A 34 9.927 15.343 3.657 1.00 0.40 C ATOM 0 HA PRO A 34 6.722 15.515 3.747 1.00 0.38 H new ATOM 0 HB2 PRO A 34 7.943 15.042 1.125 1.00 0.42 H new ATOM 0 HB3 PRO A 34 7.514 16.585 1.837 1.00 0.42 H new ATOM 0 HG2 PRO A 34 10.187 15.524 1.497 1.00 0.44 H new ATOM 0 HG3 PRO A 34 9.752 17.029 2.282 1.00 0.44 H new ATOM 0 HD2 PRO A 34 10.728 14.610 3.565 1.00 0.40 H new ATOM 0 HD3 PRO A 34 10.273 16.108 4.352 1.00 0.40 H new ATOM 510 N CYS A 35 7.640 12.610 2.527 1.00 0.33 N ATOM 511 CA CYS A 35 7.057 11.287 2.160 1.00 0.32 C ATOM 512 C CYS A 35 6.561 10.580 3.424 1.00 0.39 C ATOM 513 O CYS A 35 6.312 9.391 3.422 1.00 0.81 O ATOM 514 CB CYS A 35 8.123 10.428 1.479 1.00 0.36 C ATOM 515 SG CYS A 35 8.959 11.401 0.203 1.00 0.37 S ATOM 0 H CYS A 35 8.656 12.671 2.465 1.00 0.33 H new ATOM 0 HA CYS A 35 6.222 11.436 1.475 1.00 0.32 H new ATOM 0 HB2 CYS A 35 8.846 10.076 2.215 1.00 0.36 H new ATOM 0 HB3 CYS A 35 7.664 9.545 1.035 1.00 0.36 H new ATOM 0 HG CYS A 35 9.867 10.671 -0.374 1.00 0.37 H new ATOM 521 N LYS A 36 6.418 11.310 4.504 1.00 0.30 N ATOM 522 CA LYS A 36 5.939 10.707 5.790 1.00 0.28 C ATOM 523 C LYS A 36 4.677 11.448 6.246 1.00 0.24 C ATOM 524 O LYS A 36 3.859 10.919 6.970 1.00 0.25 O ATOM 525 CB LYS A 36 7.038 10.857 6.852 1.00 0.35 C ATOM 526 CG LYS A 36 6.785 9.887 8.009 1.00 0.38 C ATOM 527 CD LYS A 36 7.947 9.977 9.005 1.00 0.49 C ATOM 528 CE LYS A 36 7.675 9.075 10.217 1.00 1.22 C ATOM 529 NZ LYS A 36 6.814 9.805 11.194 1.00 1.92 N ATOM 0 H LYS A 36 6.615 12.310 4.550 1.00 0.30 H new ATOM 0 HA LYS A 36 5.711 9.650 5.649 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.014 10.659 6.408 1.00 0.35 H new ATOM 0 HB3 LYS A 36 7.059 11.882 7.224 1.00 0.35 H new ATOM 0 HG2 LYS A 36 5.845 10.131 8.505 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.692 8.869 7.632 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.876 9.677 8.520 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.077 11.009 9.332 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.183 8.156 9.898 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.615 8.787 10.688 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 6.628 9.196 12.016 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 7.300 10.670 11.507 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 5.913 10.059 10.741 1.00 1.92 H new ATOM 543 N MET A 37 4.521 12.672 5.827 1.00 0.23 N ATOM 544 CA MET A 37 3.321 13.461 6.232 1.00 0.24 C ATOM 545 C MET A 37 2.081 12.954 5.484 1.00 0.20 C ATOM 546 O MET A 37 0.977 13.391 5.738 1.00 0.20 O ATOM 547 CB MET A 37 3.552 14.937 5.888 1.00 0.29 C ATOM 548 CG MET A 37 4.533 15.567 6.889 1.00 1.31 C ATOM 549 SD MET A 37 3.616 16.187 8.325 1.00 2.12 S ATOM 550 CE MET A 37 3.757 17.959 7.971 1.00 3.13 C ATOM 0 H MET A 37 5.175 13.164 5.218 1.00 0.23 H new ATOM 0 HA MET A 37 3.161 13.348 7.304 1.00 0.24 H new ATOM 0 HB2 MET A 37 3.947 15.025 4.876 1.00 0.29 H new ATOM 0 HB3 MET A 37 2.604 15.475 5.908 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.270 14.829 7.206 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.081 16.381 6.414 1.00 1.31 H new ATOM 0 HE1 MET A 37 3.249 18.527 8.750 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.809 18.242 7.943 1.00 3.13 H new ATOM 0 HE3 MET A 37 3.297 18.175 7.007 1.00 3.13 H new ATOM 560 N ILE A 38 2.255 12.046 4.558 1.00 0.18 N ATOM 561 CA ILE A 38 1.090 11.517 3.781 1.00 0.15 C ATOM 562 C ILE A 38 0.625 10.182 4.382 1.00 0.16 C ATOM 563 O ILE A 38 -0.220 9.503 3.835 1.00 0.16 O ATOM 564 CB ILE A 38 1.522 11.334 2.312 1.00 0.16 C ATOM 565 CG1 ILE A 38 1.673 12.729 1.668 1.00 0.17 C ATOM 566 CG2 ILE A 38 0.467 10.512 1.542 1.00 0.17 C ATOM 567 CD1 ILE A 38 2.567 12.658 0.425 1.00 0.28 C ATOM 0 H ILE A 38 3.158 11.645 4.304 1.00 0.18 H new ATOM 0 HA ILE A 38 0.256 12.217 3.828 1.00 0.15 H new ATOM 0 HB ILE A 38 2.470 10.798 2.272 1.00 0.16 H new ATOM 0 HG12 ILE A 38 0.692 13.117 1.395 1.00 0.17 H new ATOM 0 HG13 ILE A 38 2.101 13.424 2.390 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.785 10.391 0.507 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.360 9.532 2.006 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -0.490 11.032 1.569 1.00 0.17 H new ATOM 0 HD11 ILE A 38 2.660 13.652 -0.013 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.554 12.292 0.707 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.123 11.980 -0.304 1.00 0.28 H new ATOM 579 N LYS A 39 1.149 9.796 5.519 1.00 0.19 N ATOM 580 CA LYS A 39 0.700 8.507 6.125 1.00 0.22 C ATOM 581 C LYS A 39 -0.643 8.644 6.885 1.00 0.20 C ATOM 582 O LYS A 39 -1.356 7.669 6.974 1.00 0.21 O ATOM 583 CB LYS A 39 1.806 7.903 7.027 1.00 0.31 C ATOM 584 CG LYS A 39 1.935 8.616 8.390 1.00 0.34 C ATOM 585 CD LYS A 39 2.716 7.716 9.368 1.00 0.45 C ATOM 586 CE LYS A 39 1.791 6.649 9.990 1.00 1.16 C ATOM 587 NZ LYS A 39 2.515 5.345 10.035 1.00 1.62 N ATOM 0 H LYS A 39 1.856 10.308 6.046 1.00 0.19 H new ATOM 0 HA LYS A 39 0.518 7.815 5.303 1.00 0.22 H new ATOM 0 HB2 LYS A 39 1.593 6.847 7.195 1.00 0.31 H new ATOM 0 HB3 LYS A 39 2.761 7.956 6.505 1.00 0.31 H new ATOM 0 HG2 LYS A 39 2.449 9.569 8.267 1.00 0.34 H new ATOM 0 HG3 LYS A 39 0.946 8.837 8.792 1.00 0.34 H new ATOM 0 HD2 LYS A 39 3.538 7.229 8.844 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.157 8.326 10.157 1.00 0.45 H new ATOM 0 HE2 LYS A 39 1.493 6.949 10.995 1.00 1.16 H new ATOM 0 HE3 LYS A 39 0.878 6.553 9.402 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 1.898 4.620 10.453 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 2.779 5.061 9.070 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.374 5.444 10.613 1.00 1.62 H new ATOM 601 N PRO A 40 -0.990 9.813 7.418 1.00 0.20 N ATOM 602 CA PRO A 40 -2.267 9.949 8.144 1.00 0.21 C ATOM 603 C PRO A 40 -3.421 9.882 7.135 1.00 0.17 C ATOM 604 O PRO A 40 -4.567 9.703 7.495 1.00 0.20 O ATOM 605 CB PRO A 40 -2.195 11.333 8.832 1.00 0.24 C ATOM 606 CG PRO A 40 -0.862 12.001 8.388 1.00 0.25 C ATOM 607 CD PRO A 40 -0.194 11.059 7.362 1.00 0.21 C ATOM 0 HA PRO A 40 -2.433 9.160 8.877 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -3.048 11.949 8.546 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -2.229 11.226 9.916 1.00 0.24 H new ATOM 0 HG2 PRO A 40 -1.051 12.979 7.945 1.00 0.25 H new ATOM 0 HG3 PRO A 40 -0.208 12.161 9.245 1.00 0.25 H new ATOM 0 HD2 PRO A 40 -0.206 11.491 6.362 1.00 0.21 H new ATOM 0 HD3 PRO A 40 0.850 10.873 7.616 1.00 0.21 H new ATOM 615 N PHE A 41 -3.114 10.020 5.872 1.00 0.14 N ATOM 616 CA PHE A 41 -4.174 9.964 4.827 1.00 0.14 C ATOM 617 C PHE A 41 -4.413 8.503 4.439 1.00 0.11 C ATOM 618 O PHE A 41 -5.514 7.998 4.522 1.00 0.13 O ATOM 619 CB PHE A 41 -3.711 10.761 3.600 1.00 0.15 C ATOM 620 CG PHE A 41 -3.917 12.237 3.846 1.00 0.19 C ATOM 621 CD1 PHE A 41 -5.161 12.831 3.555 1.00 0.26 C ATOM 622 CD2 PHE A 41 -2.867 13.019 4.364 1.00 0.19 C ATOM 623 CE1 PHE A 41 -5.353 14.207 3.783 1.00 0.30 C ATOM 624 CE2 PHE A 41 -3.060 14.395 4.592 1.00 0.23 C ATOM 625 CZ PHE A 41 -4.302 14.990 4.301 1.00 0.27 C ATOM 0 H PHE A 41 -2.169 10.170 5.519 1.00 0.14 H new ATOM 0 HA PHE A 41 -5.101 10.394 5.207 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -2.659 10.559 3.399 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -4.270 10.448 2.718 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -5.966 12.231 3.157 1.00 0.26 H new ATOM 0 HD2 PHE A 41 -1.913 12.563 4.586 1.00 0.19 H new ATOM 0 HE1 PHE A 41 -6.307 14.663 3.561 1.00 0.30 H new ATOM 0 HE2 PHE A 41 -2.255 14.994 4.990 1.00 0.23 H new ATOM 0 HZ PHE A 41 -4.449 16.046 4.475 1.00 0.27 H new ATOM 635 N PHE A 42 -3.389 7.821 4.016 1.00 0.10 N ATOM 636 CA PHE A 42 -3.555 6.394 3.628 1.00 0.11 C ATOM 637 C PHE A 42 -4.054 5.586 4.830 1.00 0.11 C ATOM 638 O PHE A 42 -5.015 4.848 4.739 1.00 0.12 O ATOM 639 CB PHE A 42 -2.210 5.836 3.163 1.00 0.13 C ATOM 640 CG PHE A 42 -2.373 4.382 2.792 1.00 0.11 C ATOM 641 CD1 PHE A 42 -2.909 4.032 1.537 1.00 0.11 C ATOM 642 CD2 PHE A 42 -1.988 3.377 3.698 1.00 0.11 C ATOM 643 CE1 PHE A 42 -3.057 2.676 1.190 1.00 0.11 C ATOM 644 CE2 PHE A 42 -2.138 2.021 3.352 1.00 0.10 C ATOM 645 CZ PHE A 42 -2.672 1.670 2.097 1.00 0.10 C ATOM 0 H PHE A 42 -2.443 8.190 3.922 1.00 0.10 H new ATOM 0 HA PHE A 42 -4.282 6.321 2.819 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -1.845 6.403 2.306 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.467 5.940 3.954 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.206 4.803 0.842 1.00 0.11 H new ATOM 0 HD2 PHE A 42 -1.577 3.646 4.660 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -3.466 2.407 0.227 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -1.844 1.250 4.049 1.00 0.10 H new ATOM 0 HZ PHE A 42 -2.786 0.630 1.830 1.00 0.10 H new ATOM 655 N HIS A 43 -3.401 5.714 5.954 1.00 0.14 N ATOM 656 CA HIS A 43 -3.826 4.948 7.161 1.00 0.16 C ATOM 657 C HIS A 43 -5.249 5.362 7.562 1.00 0.16 C ATOM 658 O HIS A 43 -5.956 4.617 8.210 1.00 0.18 O ATOM 659 CB HIS A 43 -2.829 5.219 8.302 1.00 0.21 C ATOM 660 CG HIS A 43 -3.411 4.810 9.629 1.00 0.27 C ATOM 661 ND1 HIS A 43 -3.133 3.588 10.218 1.00 0.35 N ATOM 662 CD2 HIS A 43 -4.270 5.453 10.482 1.00 0.31 C ATOM 663 CE1 HIS A 43 -3.818 3.532 11.375 1.00 0.41 C ATOM 664 NE2 HIS A 43 -4.529 4.643 11.584 1.00 0.39 N ATOM 0 H HIS A 43 -2.590 6.317 6.088 1.00 0.14 H new ATOM 0 HA HIS A 43 -3.832 3.879 6.946 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -1.904 4.671 8.121 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -2.573 6.278 8.323 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -4.683 6.438 10.323 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -3.795 2.691 12.052 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -5.132 4.853 12.380 1.00 0.39 H new ATOM 672 N SER A 44 -5.679 6.535 7.181 1.00 0.20 N ATOM 673 CA SER A 44 -7.059 6.966 7.544 1.00 0.25 C ATOM 674 C SER A 44 -8.069 6.111 6.769 1.00 0.20 C ATOM 675 O SER A 44 -9.117 5.760 7.274 1.00 0.21 O ATOM 676 CB SER A 44 -7.249 8.452 7.196 1.00 0.34 C ATOM 677 OG SER A 44 -8.533 8.649 6.618 1.00 0.97 O ATOM 0 H SER A 44 -5.139 7.209 6.638 1.00 0.20 H new ATOM 0 HA SER A 44 -7.217 6.835 8.615 1.00 0.25 H new ATOM 0 HB2 SER A 44 -7.146 9.062 8.094 1.00 0.34 H new ATOM 0 HB3 SER A 44 -6.474 8.775 6.501 1.00 0.34 H new ATOM 0 HG SER A 44 -8.651 9.597 6.399 1.00 0.97 H new ATOM 683 N LEU A 45 -7.759 5.767 5.547 1.00 0.18 N ATOM 684 CA LEU A 45 -8.700 4.928 4.747 1.00 0.18 C ATOM 685 C LEU A 45 -8.976 3.627 5.502 1.00 0.16 C ATOM 686 O LEU A 45 -10.022 3.025 5.369 1.00 0.23 O ATOM 687 CB LEU A 45 -8.072 4.594 3.388 1.00 0.19 C ATOM 688 CG LEU A 45 -7.437 5.853 2.782 1.00 0.26 C ATOM 689 CD1 LEU A 45 -6.924 5.554 1.356 1.00 0.28 C ATOM 690 CD2 LEU A 45 -8.483 6.976 2.735 1.00 0.50 C ATOM 0 H LEU A 45 -6.897 6.030 5.069 1.00 0.18 H new ATOM 0 HA LEU A 45 -9.629 5.476 4.592 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -7.317 3.817 3.508 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -8.832 4.199 2.714 1.00 0.19 H new ATOM 0 HG LEU A 45 -6.595 6.165 3.399 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.475 6.454 0.935 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -6.177 4.761 1.397 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.757 5.236 0.729 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -8.036 7.872 2.305 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -9.327 6.662 2.121 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -8.830 7.193 3.745 1.00 0.50 H new ATOM 702 N SER A 46 -8.029 3.186 6.278 1.00 0.20 N ATOM 703 CA SER A 46 -8.199 1.917 7.038 1.00 0.25 C ATOM 704 C SER A 46 -9.533 1.904 7.794 1.00 0.17 C ATOM 705 O SER A 46 -10.242 0.917 7.793 1.00 0.15 O ATOM 706 CB SER A 46 -7.045 1.781 8.031 1.00 0.36 C ATOM 707 OG SER A 46 -5.842 2.220 7.413 1.00 0.51 O ATOM 0 H SER A 46 -7.134 3.655 6.420 1.00 0.20 H new ATOM 0 HA SER A 46 -8.198 1.081 6.338 1.00 0.25 H new ATOM 0 HB2 SER A 46 -7.246 2.373 8.924 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.946 0.744 8.352 1.00 0.36 H new ATOM 0 HG SER A 46 -5.488 2.994 7.899 1.00 0.51 H new ATOM 713 N GLU A 47 -9.873 2.975 8.462 1.00 0.21 N ATOM 714 CA GLU A 47 -11.151 2.998 9.238 1.00 0.21 C ATOM 715 C GLU A 47 -12.309 3.491 8.365 1.00 0.18 C ATOM 716 O GLU A 47 -13.462 3.299 8.696 1.00 0.18 O ATOM 717 CB GLU A 47 -10.994 3.929 10.445 1.00 0.32 C ATOM 718 CG GLU A 47 -9.745 3.533 11.248 1.00 0.39 C ATOM 719 CD GLU A 47 -9.866 4.045 12.686 1.00 1.24 C ATOM 720 OE1 GLU A 47 -10.930 3.886 13.262 1.00 2.00 O ATOM 721 OE2 GLU A 47 -8.893 4.584 13.188 1.00 1.98 O ATOM 0 H GLU A 47 -9.324 3.833 8.505 1.00 0.21 H new ATOM 0 HA GLU A 47 -11.374 1.985 9.572 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -10.910 4.963 10.110 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -11.879 3.870 11.079 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -9.630 2.449 11.247 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -8.853 3.949 10.779 1.00 0.39 H new ATOM 728 N LYS A 48 -12.028 4.128 7.260 1.00 0.18 N ATOM 729 CA LYS A 48 -13.137 4.626 6.391 1.00 0.17 C ATOM 730 C LYS A 48 -13.605 3.505 5.460 1.00 0.15 C ATOM 731 O LYS A 48 -14.754 3.454 5.067 1.00 0.18 O ATOM 732 CB LYS A 48 -12.640 5.817 5.559 1.00 0.21 C ATOM 733 CG LYS A 48 -13.824 6.512 4.859 1.00 0.26 C ATOM 734 CD LYS A 48 -13.466 7.978 4.558 1.00 1.09 C ATOM 735 CE LYS A 48 -14.666 8.709 3.926 1.00 1.51 C ATOM 736 NZ LYS A 48 -14.717 10.106 4.446 1.00 2.16 N ATOM 0 H LYS A 48 -11.086 4.325 6.922 1.00 0.18 H new ATOM 0 HA LYS A 48 -13.972 4.945 7.015 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -12.121 6.528 6.203 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -11.919 5.475 4.816 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -14.068 5.990 3.933 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -14.710 6.467 5.493 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -13.169 8.482 5.478 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.612 8.018 3.882 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -14.573 8.715 2.840 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -15.592 8.186 4.163 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -15.526 10.605 4.023 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -14.824 10.088 5.480 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.837 10.601 4.198 1.00 2.16 H new ATOM 750 N TYR A 49 -12.720 2.605 5.106 1.00 0.13 N ATOM 751 CA TYR A 49 -13.095 1.471 4.199 1.00 0.13 C ATOM 752 C TYR A 49 -12.726 0.147 4.871 1.00 0.11 C ATOM 753 O TYR A 49 -11.770 -0.503 4.498 1.00 0.11 O ATOM 754 CB TYR A 49 -12.325 1.600 2.882 1.00 0.15 C ATOM 755 CG TYR A 49 -12.914 2.722 2.061 1.00 0.16 C ATOM 756 CD1 TYR A 49 -14.090 2.508 1.317 1.00 0.19 C ATOM 757 CD2 TYR A 49 -12.286 3.982 2.037 1.00 0.17 C ATOM 758 CE1 TYR A 49 -14.640 3.554 0.550 1.00 0.21 C ATOM 759 CE2 TYR A 49 -12.834 5.028 1.270 1.00 0.20 C ATOM 760 CZ TYR A 49 -14.010 4.815 0.526 1.00 0.21 C ATOM 761 OH TYR A 49 -14.547 5.841 -0.225 1.00 0.24 O ATOM 0 H TYR A 49 -11.746 2.606 5.408 1.00 0.13 H new ATOM 0 HA TYR A 49 -14.167 1.498 4.001 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -11.272 1.796 3.082 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -12.375 0.664 2.326 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -14.571 1.541 1.334 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -11.384 4.146 2.607 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -15.543 3.390 -0.019 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -12.352 5.994 1.252 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.990 6.642 -0.130 1.00 0.24 H new ATOM 771 N SER A 50 -13.475 -0.257 5.860 1.00 0.12 N ATOM 772 CA SER A 50 -13.163 -1.538 6.556 1.00 0.13 C ATOM 773 C SER A 50 -13.421 -2.711 5.606 1.00 0.13 C ATOM 774 O SER A 50 -13.240 -3.859 5.962 1.00 0.14 O ATOM 775 CB SER A 50 -14.050 -1.675 7.794 1.00 0.16 C ATOM 776 OG SER A 50 -15.376 -1.278 7.468 1.00 0.17 O ATOM 0 H SER A 50 -14.289 0.244 6.216 1.00 0.12 H new ATOM 0 HA SER A 50 -12.116 -1.542 6.859 1.00 0.13 H new ATOM 0 HB2 SER A 50 -14.043 -2.706 8.148 1.00 0.16 H new ATOM 0 HB3 SER A 50 -13.662 -1.057 8.604 1.00 0.16 H new ATOM 0 HG SER A 50 -15.948 -1.366 8.259 1.00 0.17 H new ATOM 782 N ASN A 51 -13.837 -2.431 4.399 1.00 0.13 N ATOM 783 CA ASN A 51 -14.105 -3.525 3.415 1.00 0.15 C ATOM 784 C ASN A 51 -12.903 -3.659 2.479 1.00 0.13 C ATOM 785 O ASN A 51 -12.959 -4.342 1.476 1.00 0.14 O ATOM 786 CB ASN A 51 -15.349 -3.175 2.596 1.00 0.17 C ATOM 787 CG ASN A 51 -15.638 -4.300 1.600 1.00 0.20 C ATOM 788 OD1 ASN A 51 -15.739 -5.451 1.977 1.00 0.34 O ATOM 789 ND2 ASN A 51 -15.776 -4.014 0.334 1.00 0.32 N ATOM 0 H ASN A 51 -14.004 -1.487 4.049 1.00 0.13 H new ATOM 0 HA ASN A 51 -14.269 -4.465 3.942 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -16.204 -3.032 3.257 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -15.195 -2.236 2.065 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.969 -4.756 -0.339 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -15.691 -3.048 0.017 1.00 0.32 H new ATOM 796 N VAL A 52 -11.818 -3.003 2.806 1.00 0.11 N ATOM 797 CA VAL A 52 -10.591 -3.069 1.951 1.00 0.10 C ATOM 798 C VAL A 52 -9.378 -3.371 2.836 1.00 0.10 C ATOM 799 O VAL A 52 -9.310 -2.951 3.975 1.00 0.11 O ATOM 800 CB VAL A 52 -10.408 -1.717 1.249 1.00 0.11 C ATOM 801 CG1 VAL A 52 -9.188 -1.756 0.322 1.00 0.12 C ATOM 802 CG2 VAL A 52 -11.657 -1.410 0.420 1.00 0.12 C ATOM 0 H VAL A 52 -11.728 -2.418 3.637 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.690 -3.856 1.203 1.00 0.10 H new ATOM 0 HB VAL A 52 -10.255 -0.945 2.003 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -9.072 -0.789 -0.168 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -8.294 -1.976 0.906 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -9.329 -2.531 -0.432 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -11.534 -0.450 -0.082 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.801 -2.193 -0.325 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -12.527 -1.368 1.075 1.00 0.12 H new ATOM 812 N ILE A 53 -8.419 -4.102 2.322 1.00 0.09 N ATOM 813 CA ILE A 53 -7.207 -4.438 3.134 1.00 0.09 C ATOM 814 C ILE A 53 -6.087 -3.450 2.772 1.00 0.09 C ATOM 815 O ILE A 53 -5.683 -3.360 1.630 1.00 0.14 O ATOM 816 CB ILE A 53 -6.737 -5.872 2.801 1.00 0.09 C ATOM 817 CG1 ILE A 53 -7.955 -6.806 2.614 1.00 0.10 C ATOM 818 CG2 ILE A 53 -5.807 -6.419 3.921 1.00 0.11 C ATOM 819 CD1 ILE A 53 -8.979 -6.633 3.750 1.00 0.17 C ATOM 0 H ILE A 53 -8.423 -4.481 1.375 1.00 0.09 H new ATOM 0 HA ILE A 53 -7.446 -4.373 4.196 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.172 -5.840 1.869 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.433 -6.595 1.657 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.618 -7.842 2.581 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.487 -7.430 3.667 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.933 -5.775 4.015 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -6.348 -6.437 4.867 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.822 -7.305 3.586 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.507 -6.869 4.704 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -9.334 -5.603 3.766 1.00 0.17 H new ATOM 831 N PHE A 54 -5.586 -2.711 3.734 1.00 0.08 N ATOM 832 CA PHE A 54 -4.491 -1.722 3.451 1.00 0.08 C ATOM 833 C PHE A 54 -3.187 -2.192 4.105 1.00 0.08 C ATOM 834 O PHE A 54 -3.158 -2.545 5.264 1.00 0.11 O ATOM 835 CB PHE A 54 -4.876 -0.359 4.030 1.00 0.08 C ATOM 836 CG PHE A 54 -6.147 0.128 3.381 1.00 0.08 C ATOM 837 CD1 PHE A 54 -6.096 0.810 2.150 1.00 0.09 C ATOM 838 CD2 PHE A 54 -7.383 -0.094 4.013 1.00 0.09 C ATOM 839 CE1 PHE A 54 -7.284 1.269 1.550 1.00 0.10 C ATOM 840 CE2 PHE A 54 -8.571 0.365 3.416 1.00 0.09 C ATOM 841 CZ PHE A 54 -8.522 1.046 2.184 1.00 0.09 C ATOM 0 H PHE A 54 -5.888 -2.749 4.707 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.350 -1.642 2.373 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -5.014 -0.437 5.108 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -4.073 0.358 3.862 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -5.146 0.981 1.666 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -7.420 -0.617 4.957 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -7.246 1.791 0.605 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -9.520 0.195 3.902 1.00 0.09 H new ATOM 0 HZ PHE A 54 -9.434 1.397 1.725 1.00 0.09 H new ATOM 851 N LEU A 55 -2.104 -2.188 3.363 1.00 0.08 N ATOM 852 CA LEU A 55 -0.782 -2.620 3.925 1.00 0.09 C ATOM 853 C LEU A 55 0.128 -1.393 4.057 1.00 0.09 C ATOM 854 O LEU A 55 -0.173 -0.328 3.557 1.00 0.10 O ATOM 855 CB LEU A 55 -0.123 -3.639 2.979 1.00 0.10 C ATOM 856 CG LEU A 55 -0.707 -5.040 3.208 1.00 0.11 C ATOM 857 CD1 LEU A 55 -2.204 -5.058 2.857 1.00 0.12 C ATOM 858 CD2 LEU A 55 0.042 -6.043 2.321 1.00 0.12 C ATOM 0 H LEU A 55 -2.079 -1.902 2.384 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.934 -3.080 4.901 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.280 -3.338 1.943 1.00 0.10 H new ATOM 0 HB3 LEU A 55 0.954 -3.656 3.146 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.592 -5.311 4.257 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.605 -6.058 3.024 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.734 -4.344 3.488 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.336 -4.785 1.810 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.366 -7.042 2.477 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.076 -5.762 1.274 1.00 0.12 H new ATOM 0 HD23 LEU A 55 1.101 -6.039 2.581 1.00 0.12 H new ATOM 870 N GLU A 56 1.245 -1.540 4.721 1.00 0.09 N ATOM 871 CA GLU A 56 2.187 -0.391 4.887 1.00 0.09 C ATOM 872 C GLU A 56 3.621 -0.911 4.787 1.00 0.09 C ATOM 873 O GLU A 56 4.129 -1.537 5.696 1.00 0.10 O ATOM 874 CB GLU A 56 1.971 0.252 6.260 1.00 0.09 C ATOM 875 CG GLU A 56 2.663 1.615 6.302 1.00 0.11 C ATOM 876 CD GLU A 56 2.575 2.190 7.717 1.00 0.53 C ATOM 877 OE1 GLU A 56 1.516 2.083 8.314 1.00 1.31 O ATOM 878 OE2 GLU A 56 3.567 2.728 8.180 1.00 1.24 O ATOM 0 H GLU A 56 1.547 -2.411 5.158 1.00 0.09 H new ATOM 0 HA GLU A 56 2.007 0.352 4.110 1.00 0.09 H new ATOM 0 HB2 GLU A 56 0.905 0.368 6.455 1.00 0.09 H new ATOM 0 HB3 GLU A 56 2.370 -0.394 7.042 1.00 0.09 H new ATOM 0 HG2 GLU A 56 3.706 1.514 6.004 1.00 0.11 H new ATOM 0 HG3 GLU A 56 2.193 2.295 5.592 1.00 0.11 H new ATOM 885 N VAL A 57 4.273 -0.667 3.676 1.00 0.08 N ATOM 886 CA VAL A 57 5.676 -1.156 3.490 1.00 0.08 C ATOM 887 C VAL A 57 6.658 0.007 3.632 1.00 0.09 C ATOM 888 O VAL A 57 6.373 1.126 3.254 1.00 0.14 O ATOM 889 CB VAL A 57 5.818 -1.753 2.085 1.00 0.09 C ATOM 890 CG1 VAL A 57 7.147 -2.508 1.973 1.00 0.10 C ATOM 891 CG2 VAL A 57 4.660 -2.718 1.815 1.00 0.09 C ATOM 0 H VAL A 57 3.892 -0.147 2.886 1.00 0.08 H new ATOM 0 HA VAL A 57 5.894 -1.910 4.246 1.00 0.08 H new ATOM 0 HB VAL A 57 5.798 -0.947 1.352 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.242 -2.930 0.973 1.00 0.10 H new ATOM 0 HG12 VAL A 57 7.973 -1.821 2.157 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.172 -3.311 2.710 1.00 0.10 H new ATOM 0 HG21 VAL A 57 4.764 -3.141 0.816 1.00 0.09 H new ATOM 0 HG22 VAL A 57 4.676 -3.521 2.552 1.00 0.09 H new ATOM 0 HG23 VAL A 57 3.714 -2.180 1.885 1.00 0.09 H new ATOM 901 N ASP A 58 7.827 -0.264 4.160 1.00 0.09 N ATOM 902 CA ASP A 58 8.868 0.799 4.325 1.00 0.09 C ATOM 903 C ASP A 58 10.039 0.471 3.395 1.00 0.10 C ATOM 904 O ASP A 58 10.626 -0.590 3.476 1.00 0.11 O ATOM 905 CB ASP A 58 9.350 0.816 5.780 1.00 0.11 C ATOM 906 CG ASP A 58 10.082 2.129 6.066 1.00 0.13 C ATOM 907 OD1 ASP A 58 9.588 3.162 5.647 1.00 1.08 O ATOM 908 OD2 ASP A 58 11.123 2.078 6.701 1.00 1.06 O ATOM 0 H ASP A 58 8.108 -1.188 4.488 1.00 0.09 H new ATOM 0 HA ASP A 58 8.457 1.777 4.077 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.502 0.707 6.455 1.00 0.11 H new ATOM 0 HB3 ASP A 58 10.014 -0.029 5.963 1.00 0.11 H new ATOM 913 N VAL A 59 10.370 1.356 2.497 1.00 0.12 N ATOM 914 CA VAL A 59 11.485 1.071 1.551 1.00 0.15 C ATOM 915 C VAL A 59 12.818 0.973 2.304 1.00 0.18 C ATOM 916 O VAL A 59 13.840 0.672 1.719 1.00 0.27 O ATOM 917 CB VAL A 59 11.557 2.179 0.495 1.00 0.19 C ATOM 918 CG1 VAL A 59 10.276 2.161 -0.343 1.00 0.19 C ATOM 919 CG2 VAL A 59 11.692 3.544 1.174 1.00 0.22 C ATOM 0 H VAL A 59 9.918 2.262 2.377 1.00 0.12 H new ATOM 0 HA VAL A 59 11.297 0.116 1.061 1.00 0.15 H new ATOM 0 HB VAL A 59 12.424 2.008 -0.143 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.323 2.948 -1.096 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.177 1.193 -0.835 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.415 2.329 0.304 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.742 4.325 0.415 1.00 0.22 H new ATOM 0 HG22 VAL A 59 10.829 3.718 1.816 1.00 0.22 H new ATOM 0 HG23 VAL A 59 12.601 3.563 1.775 1.00 0.22 H new ATOM 929 N ASP A 60 12.821 1.213 3.595 1.00 0.16 N ATOM 930 CA ASP A 60 14.097 1.123 4.385 1.00 0.18 C ATOM 931 C ASP A 60 14.102 -0.171 5.206 1.00 0.17 C ATOM 932 O ASP A 60 15.085 -0.882 5.254 1.00 0.18 O ATOM 933 CB ASP A 60 14.204 2.326 5.333 1.00 0.21 C ATOM 934 CG ASP A 60 14.683 3.554 4.554 1.00 0.24 C ATOM 935 OD1 ASP A 60 14.263 3.712 3.420 1.00 1.11 O ATOM 936 OD2 ASP A 60 15.463 4.313 5.105 1.00 1.08 O ATOM 0 H ASP A 60 11.996 1.468 4.138 1.00 0.16 H new ATOM 0 HA ASP A 60 14.944 1.124 3.699 1.00 0.18 H new ATOM 0 HB2 ASP A 60 13.236 2.528 5.791 1.00 0.21 H new ATOM 0 HB3 ASP A 60 14.899 2.103 6.143 1.00 0.21 H new ATOM 941 N ASP A 61 13.013 -0.478 5.863 1.00 0.17 N ATOM 942 CA ASP A 61 12.963 -1.721 6.689 1.00 0.17 C ATOM 943 C ASP A 61 12.541 -2.907 5.819 1.00 0.16 C ATOM 944 O ASP A 61 12.888 -4.038 6.094 1.00 0.18 O ATOM 945 CB ASP A 61 11.949 -1.537 7.821 1.00 0.19 C ATOM 946 CG ASP A 61 12.126 -2.650 8.857 1.00 0.22 C ATOM 947 OD1 ASP A 61 13.237 -3.137 8.995 1.00 1.07 O ATOM 948 OD2 ASP A 61 11.147 -2.997 9.497 1.00 1.12 O ATOM 0 H ASP A 61 12.158 0.078 5.863 1.00 0.17 H new ATOM 0 HA ASP A 61 13.951 -1.915 7.106 1.00 0.17 H new ATOM 0 HB2 ASP A 61 12.087 -0.564 8.291 1.00 0.19 H new ATOM 0 HB3 ASP A 61 10.935 -1.557 7.421 1.00 0.19 H new ATOM 953 N ALA A 62 11.794 -2.655 4.770 1.00 0.16 N ATOM 954 CA ALA A 62 11.336 -3.760 3.866 1.00 0.16 C ATOM 955 C ALA A 62 11.894 -3.529 2.459 1.00 0.16 C ATOM 956 O ALA A 62 11.245 -3.805 1.471 1.00 0.15 O ATOM 957 CB ALA A 62 9.807 -3.766 3.811 1.00 0.17 C ATOM 0 H ALA A 62 11.479 -1.723 4.499 1.00 0.16 H new ATOM 0 HA ALA A 62 11.693 -4.717 4.247 1.00 0.16 H new ATOM 0 HB1 ALA A 62 9.470 -4.568 3.155 1.00 0.17 H new ATOM 0 HB2 ALA A 62 9.408 -3.925 4.813 1.00 0.17 H new ATOM 0 HB3 ALA A 62 9.453 -2.809 3.426 1.00 0.17 H new ATOM 963 N GLN A 63 13.093 -3.027 2.361 1.00 0.20 N ATOM 964 CA GLN A 63 13.690 -2.781 1.018 1.00 0.22 C ATOM 965 C GLN A 63 13.650 -4.077 0.199 1.00 0.20 C ATOM 966 O GLN A 63 13.836 -4.069 -1.002 1.00 0.20 O ATOM 967 CB GLN A 63 15.143 -2.312 1.186 1.00 0.29 C ATOM 968 CG GLN A 63 15.770 -3.011 2.393 1.00 0.90 C ATOM 969 CD GLN A 63 17.292 -2.846 2.351 1.00 1.53 C ATOM 970 OE1 GLN A 63 17.992 -3.351 3.208 1.00 2.17 O ATOM 971 NE2 GLN A 63 17.839 -2.158 1.385 1.00 2.22 N ATOM 0 H GLN A 63 13.686 -2.776 3.152 1.00 0.20 H new ATOM 0 HA GLN A 63 13.122 -2.010 0.497 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.715 -2.536 0.285 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.174 -1.231 1.322 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.374 -2.589 3.316 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.509 -4.069 2.389 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.253 -1.734 0.666 1.00 2.22 H new ATOM 0 HE22 GLN A 63 18.852 -2.045 1.350 1.00 2.22 H new ATOM 980 N ASP A 64 13.407 -5.188 0.837 1.00 0.19 N ATOM 981 CA ASP A 64 13.356 -6.477 0.091 1.00 0.20 C ATOM 982 C ASP A 64 12.091 -6.515 -0.768 1.00 0.17 C ATOM 983 O ASP A 64 12.105 -6.980 -1.891 1.00 0.19 O ATOM 984 CB ASP A 64 13.339 -7.644 1.081 1.00 0.22 C ATOM 985 CG ASP A 64 12.135 -7.504 2.014 1.00 0.23 C ATOM 986 OD1 ASP A 64 12.078 -6.518 2.731 1.00 1.09 O ATOM 987 OD2 ASP A 64 11.292 -8.385 1.997 1.00 1.11 O ATOM 0 H ASP A 64 13.242 -5.260 1.841 1.00 0.19 H new ATOM 0 HA ASP A 64 14.234 -6.562 -0.549 1.00 0.20 H new ATOM 0 HB2 ASP A 64 13.287 -8.591 0.543 1.00 0.22 H new ATOM 0 HB3 ASP A 64 14.262 -7.657 1.661 1.00 0.22 H new ATOM 992 N VAL A 65 10.998 -6.028 -0.250 1.00 0.15 N ATOM 993 CA VAL A 65 9.733 -6.032 -1.037 1.00 0.16 C ATOM 994 C VAL A 65 9.744 -4.865 -2.025 1.00 0.16 C ATOM 995 O VAL A 65 9.216 -4.956 -3.116 1.00 0.19 O ATOM 996 CB VAL A 65 8.540 -5.886 -0.087 1.00 0.16 C ATOM 997 CG1 VAL A 65 7.240 -6.093 -0.868 1.00 0.19 C ATOM 998 CG2 VAL A 65 8.642 -6.936 1.026 1.00 0.18 C ATOM 0 H VAL A 65 10.926 -5.627 0.685 1.00 0.15 H new ATOM 0 HA VAL A 65 9.648 -6.971 -1.584 1.00 0.16 H new ATOM 0 HB VAL A 65 8.544 -4.889 0.354 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.390 -5.990 -0.194 1.00 0.19 H new ATOM 0 HG12 VAL A 65 7.168 -5.347 -1.659 1.00 0.19 H new ATOM 0 HG13 VAL A 65 7.235 -7.090 -1.308 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.794 -6.833 1.702 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.637 -7.934 0.587 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.568 -6.789 1.581 1.00 0.18 H new ATOM 1008 N ALA A 66 10.342 -3.768 -1.652 1.00 0.16 N ATOM 1009 CA ALA A 66 10.389 -2.595 -2.569 1.00 0.18 C ATOM 1010 C ALA A 66 11.165 -2.966 -3.835 1.00 0.19 C ATOM 1011 O ALA A 66 10.825 -2.555 -4.926 1.00 0.20 O ATOM 1012 CB ALA A 66 11.083 -1.424 -1.864 1.00 0.22 C ATOM 0 H ALA A 66 10.801 -3.633 -0.751 1.00 0.16 H new ATOM 0 HA ALA A 66 9.374 -2.304 -2.841 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.118 -0.565 -2.534 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.527 -1.160 -0.964 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.098 -1.713 -1.592 1.00 0.22 H new ATOM 1018 N SER A 67 12.206 -3.739 -3.695 1.00 0.21 N ATOM 1019 CA SER A 67 13.009 -4.135 -4.886 1.00 0.26 C ATOM 1020 C SER A 67 12.162 -5.011 -5.812 1.00 0.26 C ATOM 1021 O SER A 67 12.369 -5.045 -7.009 1.00 0.29 O ATOM 1022 CB SER A 67 14.241 -4.918 -4.433 1.00 0.31 C ATOM 1023 OG SER A 67 14.705 -5.727 -5.506 1.00 1.29 O ATOM 0 H SER A 67 12.536 -4.114 -2.806 1.00 0.21 H new ATOM 0 HA SER A 67 13.322 -3.239 -5.423 1.00 0.26 H new ATOM 0 HB2 SER A 67 15.025 -4.231 -4.115 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.994 -5.541 -3.573 1.00 0.31 H new ATOM 0 HG SER A 67 15.496 -6.229 -5.219 1.00 1.29 H new ATOM 1029 N GLU A 68 11.210 -5.722 -5.271 1.00 0.26 N ATOM 1030 CA GLU A 68 10.358 -6.592 -6.129 1.00 0.30 C ATOM 1031 C GLU A 68 9.559 -5.720 -7.097 1.00 0.31 C ATOM 1032 O GLU A 68 9.617 -5.895 -8.298 1.00 0.36 O ATOM 1033 CB GLU A 68 9.401 -7.407 -5.251 1.00 0.31 C ATOM 1034 CG GLU A 68 8.481 -8.269 -6.137 1.00 0.39 C ATOM 1035 CD GLU A 68 7.999 -9.495 -5.353 1.00 1.43 C ATOM 1036 OE1 GLU A 68 7.218 -9.316 -4.433 1.00 2.20 O ATOM 1037 OE2 GLU A 68 8.421 -10.590 -5.687 1.00 2.19 O ATOM 0 H GLU A 68 10.986 -5.738 -4.276 1.00 0.26 H new ATOM 0 HA GLU A 68 10.990 -7.277 -6.695 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.969 -8.044 -4.573 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.802 -6.738 -4.633 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.626 -7.680 -6.469 1.00 0.39 H new ATOM 0 HG3 GLU A 68 9.017 -8.586 -7.032 1.00 0.39 H new ATOM 1044 N ALA A 69 8.819 -4.776 -6.586 1.00 0.29 N ATOM 1045 CA ALA A 69 8.026 -3.885 -7.479 1.00 0.31 C ATOM 1046 C ALA A 69 8.939 -2.780 -8.013 1.00 0.29 C ATOM 1047 O ALA A 69 8.527 -1.936 -8.785 1.00 0.33 O ATOM 1048 CB ALA A 69 6.873 -3.261 -6.688 1.00 0.31 C ATOM 0 H ALA A 69 8.729 -4.583 -5.589 1.00 0.29 H new ATOM 0 HA ALA A 69 7.619 -4.461 -8.310 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.294 -2.609 -7.342 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.229 -4.050 -6.299 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.274 -2.679 -5.859 1.00 0.31 H new ATOM 1054 N GLU A 70 10.180 -2.783 -7.607 1.00 0.27 N ATOM 1055 CA GLU A 70 11.131 -1.740 -8.086 1.00 0.29 C ATOM 1056 C GLU A 70 10.531 -0.349 -7.865 1.00 0.25 C ATOM 1057 O GLU A 70 10.234 0.366 -8.802 1.00 0.26 O ATOM 1058 CB GLU A 70 11.407 -1.947 -9.578 1.00 0.38 C ATOM 1059 CG GLU A 70 12.336 -3.150 -9.764 1.00 1.18 C ATOM 1060 CD GLU A 70 12.692 -3.297 -11.243 1.00 1.61 C ATOM 1061 OE1 GLU A 70 12.820 -2.281 -11.905 1.00 2.34 O ATOM 1062 OE2 GLU A 70 12.831 -4.424 -11.691 1.00 2.06 O ATOM 0 H GLU A 70 10.577 -3.466 -6.962 1.00 0.27 H new ATOM 0 HA GLU A 70 12.064 -1.821 -7.528 1.00 0.29 H new ATOM 0 HB2 GLU A 70 10.471 -2.111 -10.112 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.864 -1.053 -10.002 1.00 0.38 H new ATOM 0 HG2 GLU A 70 13.242 -3.018 -9.173 1.00 1.18 H new ATOM 0 HG3 GLU A 70 11.850 -4.057 -9.404 1.00 1.18 H new ATOM 1069 N VAL A 71 10.357 0.045 -6.631 1.00 0.22 N ATOM 1070 CA VAL A 71 9.784 1.394 -6.349 1.00 0.19 C ATOM 1071 C VAL A 71 10.913 2.428 -6.340 1.00 0.23 C ATOM 1072 O VAL A 71 11.685 2.503 -5.405 1.00 0.28 O ATOM 1073 CB VAL A 71 9.094 1.383 -4.981 1.00 0.18 C ATOM 1074 CG1 VAL A 71 8.338 2.698 -4.778 1.00 0.19 C ATOM 1075 CG2 VAL A 71 8.104 0.216 -4.911 1.00 0.19 C ATOM 0 H VAL A 71 10.587 -0.509 -5.806 1.00 0.22 H new ATOM 0 HA VAL A 71 9.056 1.650 -7.119 1.00 0.19 H new ATOM 0 HB VAL A 71 9.847 1.269 -4.201 1.00 0.18 H new ATOM 0 HG11 VAL A 71 7.848 2.689 -3.805 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.039 3.531 -4.824 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.588 2.811 -5.561 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.615 0.211 -3.937 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.353 0.328 -5.693 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.638 -0.723 -5.053 1.00 0.19 H new ATOM 1085 N LYS A 72 11.016 3.227 -7.377 1.00 0.24 N ATOM 1086 CA LYS A 72 12.097 4.266 -7.441 1.00 0.29 C ATOM 1087 C LYS A 72 11.478 5.655 -7.287 1.00 0.26 C ATOM 1088 O LYS A 72 12.065 6.651 -7.661 1.00 0.27 O ATOM 1089 CB LYS A 72 12.813 4.186 -8.800 1.00 0.35 C ATOM 1090 CG LYS A 72 13.713 2.924 -8.875 1.00 0.43 C ATOM 1091 CD LYS A 72 14.977 3.223 -9.695 1.00 1.16 C ATOM 1092 CE LYS A 72 15.914 2.011 -9.668 1.00 1.66 C ATOM 1093 NZ LYS A 72 15.400 0.964 -10.599 1.00 2.40 N ATOM 0 H LYS A 72 10.395 3.204 -8.186 1.00 0.24 H new ATOM 0 HA LYS A 72 12.813 4.088 -6.638 1.00 0.29 H new ATOM 0 HB2 LYS A 72 12.077 4.161 -9.603 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.419 5.080 -8.950 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.989 2.605 -7.870 1.00 0.43 H new ATOM 0 HG3 LYS A 72 13.161 2.101 -9.330 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.706 3.461 -10.723 1.00 1.16 H new ATOM 0 HD3 LYS A 72 15.486 4.097 -9.289 1.00 1.16 H new ATOM 0 HE2 LYS A 72 16.921 2.310 -9.960 1.00 1.66 H new ATOM 0 HE3 LYS A 72 15.981 1.612 -8.656 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 16.036 0.141 -10.581 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.447 0.672 -10.301 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 15.358 1.348 -11.565 1.00 2.40 H new ATOM 1107 N ALA A 73 10.299 5.735 -6.734 1.00 0.22 N ATOM 1108 CA ALA A 73 9.650 7.065 -6.551 1.00 0.20 C ATOM 1109 C ALA A 73 8.597 6.958 -5.444 1.00 0.18 C ATOM 1110 O ALA A 73 7.499 6.494 -5.667 1.00 0.16 O ATOM 1111 CB ALA A 73 8.992 7.498 -7.871 1.00 0.21 C ATOM 0 H ALA A 73 9.757 4.938 -6.401 1.00 0.22 H new ATOM 0 HA ALA A 73 10.394 7.809 -6.268 1.00 0.20 H new ATOM 0 HB1 ALA A 73 8.517 8.470 -7.739 1.00 0.21 H new ATOM 0 HB2 ALA A 73 9.751 7.568 -8.650 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.241 6.764 -8.161 1.00 0.21 H new ATOM 1117 N THR A 74 8.928 7.381 -4.251 1.00 0.18 N ATOM 1118 CA THR A 74 7.953 7.300 -3.121 1.00 0.17 C ATOM 1119 C THR A 74 7.288 8.679 -2.937 1.00 0.17 C ATOM 1120 O THR A 74 7.896 9.681 -3.258 1.00 0.19 O ATOM 1121 CB THR A 74 8.720 6.928 -1.840 1.00 0.19 C ATOM 1122 OG1 THR A 74 9.960 7.622 -1.820 1.00 0.22 O ATOM 1123 CG2 THR A 74 8.983 5.414 -1.798 1.00 0.19 C ATOM 0 H THR A 74 9.835 7.781 -4.010 1.00 0.18 H new ATOM 0 HA THR A 74 7.190 6.550 -3.329 1.00 0.17 H new ATOM 0 HB THR A 74 8.122 7.207 -0.972 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.452 7.390 -1.005 1.00 0.22 H new ATOM 0 HG21 THR A 74 9.526 5.164 -0.887 1.00 0.19 H new ATOM 0 HG22 THR A 74 8.033 4.879 -1.812 1.00 0.19 H new ATOM 0 HG23 THR A 74 9.576 5.124 -2.665 1.00 0.19 H new ATOM 1131 N PRO A 75 6.076 8.716 -2.410 1.00 0.17 N ATOM 1132 CA PRO A 75 5.293 7.523 -2.000 1.00 0.16 C ATOM 1133 C PRO A 75 4.697 6.828 -3.240 1.00 0.14 C ATOM 1134 O PRO A 75 4.609 7.406 -4.307 1.00 0.14 O ATOM 1135 CB PRO A 75 4.169 8.094 -1.105 1.00 0.17 C ATOM 1136 CG PRO A 75 4.171 9.639 -1.290 1.00 0.20 C ATOM 1137 CD PRO A 75 5.401 10.001 -2.153 1.00 0.19 C ATOM 0 HA PRO A 75 5.898 6.778 -1.482 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.203 7.674 -1.386 1.00 0.17 H new ATOM 0 HB3 PRO A 75 4.339 7.832 -0.061 1.00 0.17 H new ATOM 0 HG2 PRO A 75 3.252 9.968 -1.775 1.00 0.20 H new ATOM 0 HG3 PRO A 75 4.219 10.141 -0.324 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.102 10.483 -3.084 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.059 10.695 -1.631 1.00 0.19 H new ATOM 1145 N THR A 76 4.284 5.595 -3.099 1.00 0.13 N ATOM 1146 CA THR A 76 3.688 4.858 -4.256 1.00 0.12 C ATOM 1147 C THR A 76 2.610 3.905 -3.738 1.00 0.12 C ATOM 1148 O THR A 76 2.716 3.371 -2.651 1.00 0.18 O ATOM 1149 CB THR A 76 4.779 4.054 -4.975 1.00 0.12 C ATOM 1150 OG1 THR A 76 5.736 4.947 -5.523 1.00 0.13 O ATOM 1151 CG2 THR A 76 4.154 3.223 -6.099 1.00 0.13 C ATOM 0 H THR A 76 4.334 5.064 -2.230 1.00 0.13 H new ATOM 0 HA THR A 76 3.248 5.569 -4.955 1.00 0.12 H new ATOM 0 HB THR A 76 5.265 3.387 -4.263 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.354 5.236 -4.820 1.00 0.13 H new ATOM 0 HG21 THR A 76 4.933 2.654 -6.607 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.419 2.537 -5.679 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.665 3.886 -6.813 1.00 0.13 H new ATOM 1159 N PHE A 77 1.570 3.695 -4.509 1.00 0.09 N ATOM 1160 CA PHE A 77 0.464 2.782 -4.078 1.00 0.09 C ATOM 1161 C PHE A 77 0.267 1.688 -5.127 1.00 0.09 C ATOM 1162 O PHE A 77 0.369 1.929 -6.314 1.00 0.10 O ATOM 1163 CB PHE A 77 -0.826 3.589 -3.931 1.00 0.10 C ATOM 1164 CG PHE A 77 -0.606 4.690 -2.923 1.00 0.10 C ATOM 1165 CD1 PHE A 77 -0.066 5.924 -3.336 1.00 0.14 C ATOM 1166 CD2 PHE A 77 -0.932 4.481 -1.569 1.00 0.09 C ATOM 1167 CE1 PHE A 77 0.145 6.949 -2.395 1.00 0.15 C ATOM 1168 CE2 PHE A 77 -0.718 5.507 -0.629 1.00 0.09 C ATOM 1169 CZ PHE A 77 -0.180 6.741 -1.042 1.00 0.12 C ATOM 0 H PHE A 77 1.439 4.121 -5.427 1.00 0.09 H new ATOM 0 HA PHE A 77 0.719 2.323 -3.123 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -1.117 4.012 -4.893 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.641 2.941 -3.608 1.00 0.10 H new ATOM 0 HD1 PHE A 77 0.186 6.083 -4.374 1.00 0.14 H new ATOM 0 HD2 PHE A 77 -1.346 3.535 -1.252 1.00 0.09 H new ATOM 0 HE1 PHE A 77 0.557 7.896 -2.712 1.00 0.15 H new ATOM 0 HE2 PHE A 77 -0.967 5.347 0.410 1.00 0.09 H new ATOM 0 HZ PHE A 77 -0.017 7.528 -0.320 1.00 0.12 H new ATOM 1179 N GLN A 78 -0.010 0.482 -4.691 1.00 0.07 N ATOM 1180 CA GLN A 78 -0.214 -0.654 -5.646 1.00 0.07 C ATOM 1181 C GLN A 78 -1.549 -1.342 -5.349 1.00 0.06 C ATOM 1182 O GLN A 78 -1.956 -1.462 -4.212 1.00 0.07 O ATOM 1183 CB GLN A 78 0.925 -1.661 -5.472 1.00 0.08 C ATOM 1184 CG GLN A 78 2.203 -1.099 -6.099 1.00 0.12 C ATOM 1185 CD GLN A 78 3.312 -2.152 -6.027 1.00 0.14 C ATOM 1186 OE1 GLN A 78 3.068 -3.322 -6.242 1.00 0.81 O ATOM 1187 NE2 GLN A 78 4.527 -1.782 -5.732 1.00 1.03 N ATOM 0 H GLN A 78 -0.104 0.234 -3.706 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.223 -0.276 -6.668 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.086 -1.865 -4.413 1.00 0.08 H new ATOM 0 HB3 GLN A 78 0.662 -2.608 -5.943 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.019 -0.819 -7.136 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.511 -0.194 -5.574 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.731 -0.799 -5.552 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.273 -2.475 -5.682 1.00 1.03 H new ATOM 1196 N PHE A 79 -2.228 -1.798 -6.372 1.00 0.06 N ATOM 1197 CA PHE A 79 -3.545 -2.489 -6.179 1.00 0.07 C ATOM 1198 C PHE A 79 -3.369 -3.987 -6.435 1.00 0.07 C ATOM 1199 O PHE A 79 -3.181 -4.413 -7.556 1.00 0.09 O ATOM 1200 CB PHE A 79 -4.559 -1.923 -7.175 1.00 0.08 C ATOM 1201 CG PHE A 79 -4.956 -0.531 -6.745 1.00 0.08 C ATOM 1202 CD1 PHE A 79 -4.021 0.519 -6.822 1.00 0.09 C ATOM 1203 CD2 PHE A 79 -6.254 -0.283 -6.258 1.00 0.09 C ATOM 1204 CE1 PHE A 79 -4.383 1.816 -6.415 1.00 0.11 C ATOM 1205 CE2 PHE A 79 -6.616 1.015 -5.849 1.00 0.10 C ATOM 1206 CZ PHE A 79 -5.682 2.065 -5.928 1.00 0.11 C ATOM 0 H PHE A 79 -1.925 -1.721 -7.343 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.900 -2.329 -5.161 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.128 -1.898 -8.176 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.438 -2.566 -7.222 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.025 0.328 -7.194 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.971 -1.088 -6.198 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -3.666 2.621 -6.476 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -7.611 1.205 -5.474 1.00 0.10 H new ATOM 0 HZ PHE A 79 -5.960 3.061 -5.616 1.00 0.11 H new ATOM 1216 N PHE A 80 -3.429 -4.788 -5.398 1.00 0.07 N ATOM 1217 CA PHE A 80 -3.264 -6.268 -5.562 1.00 0.08 C ATOM 1218 C PHE A 80 -4.607 -6.961 -5.322 1.00 0.11 C ATOM 1219 O PHE A 80 -5.436 -6.491 -4.569 1.00 0.15 O ATOM 1220 CB PHE A 80 -2.242 -6.778 -4.537 1.00 0.09 C ATOM 1221 CG PHE A 80 -0.841 -6.472 -5.012 1.00 0.09 C ATOM 1222 CD1 PHE A 80 -0.236 -7.287 -5.988 1.00 0.14 C ATOM 1223 CD2 PHE A 80 -0.139 -5.374 -4.480 1.00 0.09 C ATOM 1224 CE1 PHE A 80 1.071 -7.003 -6.431 1.00 0.17 C ATOM 1225 CE2 PHE A 80 1.167 -5.091 -4.921 1.00 0.11 C ATOM 1226 CZ PHE A 80 1.773 -5.905 -5.897 1.00 0.14 C ATOM 0 H PHE A 80 -3.586 -4.478 -4.439 1.00 0.07 H new ATOM 0 HA PHE A 80 -2.916 -6.487 -6.572 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.418 -6.308 -3.570 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.361 -7.852 -4.395 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -0.774 -8.130 -6.397 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.603 -4.748 -3.732 1.00 0.09 H new ATOM 0 HE1 PHE A 80 1.535 -7.627 -7.180 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.705 -4.249 -4.511 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.775 -5.688 -6.236 1.00 0.14 H new ATOM 1236 N LYS A 81 -4.822 -8.085 -5.954 1.00 0.11 N ATOM 1237 CA LYS A 81 -6.104 -8.825 -5.767 1.00 0.14 C ATOM 1238 C LYS A 81 -5.850 -10.318 -6.009 1.00 0.14 C ATOM 1239 O LYS A 81 -5.205 -10.695 -6.967 1.00 0.15 O ATOM 1240 CB LYS A 81 -7.148 -8.299 -6.762 1.00 0.20 C ATOM 1241 CG LYS A 81 -8.555 -8.657 -6.275 1.00 0.33 C ATOM 1242 CD LYS A 81 -9.601 -8.052 -7.218 1.00 0.60 C ATOM 1243 CE LYS A 81 -10.973 -8.035 -6.533 1.00 0.72 C ATOM 1244 NZ LYS A 81 -12.042 -7.948 -7.567 1.00 1.48 N ATOM 0 H LYS A 81 -4.161 -8.524 -6.595 1.00 0.11 H new ATOM 0 HA LYS A 81 -6.479 -8.678 -4.754 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.053 -7.218 -6.865 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -6.974 -8.730 -7.748 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -8.671 -9.740 -6.235 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -8.705 -8.283 -5.262 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -9.311 -7.039 -7.495 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -9.652 -8.632 -8.139 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.104 -8.936 -5.934 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.041 -7.187 -5.852 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -12.973 -7.936 -7.104 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -11.920 -7.076 -8.120 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -11.981 -8.771 -8.200 1.00 1.48 H new ATOM 1258 N LYS A 82 -6.335 -11.165 -5.142 1.00 0.16 N ATOM 1259 CA LYS A 82 -6.104 -12.629 -5.318 1.00 0.20 C ATOM 1260 C LYS A 82 -4.605 -12.878 -5.494 1.00 0.20 C ATOM 1261 O LYS A 82 -4.189 -13.911 -5.978 1.00 0.23 O ATOM 1262 CB LYS A 82 -6.850 -13.134 -6.557 1.00 0.21 C ATOM 1263 CG LYS A 82 -8.360 -13.084 -6.307 1.00 0.24 C ATOM 1264 CD LYS A 82 -9.103 -13.668 -7.517 1.00 0.36 C ATOM 1265 CE LYS A 82 -10.556 -13.188 -7.514 1.00 1.19 C ATOM 1266 NZ LYS A 82 -11.339 -13.971 -8.511 1.00 1.67 N ATOM 0 H LYS A 82 -6.881 -10.908 -4.320 1.00 0.16 H new ATOM 0 HA LYS A 82 -6.472 -13.161 -4.441 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -6.594 -12.522 -7.422 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -6.543 -14.154 -6.787 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -8.609 -13.648 -5.408 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -8.676 -12.055 -6.135 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -8.611 -13.361 -8.440 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -9.070 -14.757 -7.485 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.988 -13.308 -6.521 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.600 -12.126 -7.754 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.327 -13.645 -8.510 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -10.931 -13.834 -9.458 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -11.307 -14.980 -8.262 1.00 1.67 H new ATOM 1280 N GLY A 83 -3.791 -11.934 -5.105 1.00 0.19 N ATOM 1281 CA GLY A 83 -2.318 -12.109 -5.251 1.00 0.21 C ATOM 1282 C GLY A 83 -1.903 -11.769 -6.684 1.00 0.19 C ATOM 1283 O GLY A 83 -0.934 -12.291 -7.198 1.00 0.22 O ATOM 0 H GLY A 83 -4.083 -11.048 -4.692 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -1.793 -11.464 -4.546 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -2.038 -13.135 -5.014 1.00 0.21 H new ATOM 1287 N GLN A 84 -2.635 -10.896 -7.330 1.00 0.16 N ATOM 1288 CA GLN A 84 -2.297 -10.508 -8.737 1.00 0.17 C ATOM 1289 C GLN A 84 -2.381 -8.987 -8.885 1.00 0.16 C ATOM 1290 O GLN A 84 -3.386 -8.376 -8.582 1.00 0.14 O ATOM 1291 CB GLN A 84 -3.293 -11.163 -9.705 1.00 0.19 C ATOM 1292 CG GLN A 84 -3.111 -12.700 -9.701 1.00 0.23 C ATOM 1293 CD GLN A 84 -3.480 -13.293 -11.069 1.00 1.19 C ATOM 1294 OE1 GLN A 84 -3.483 -12.603 -12.069 1.00 1.86 O ATOM 1295 NE2 GLN A 84 -3.785 -14.559 -11.152 1.00 2.08 N ATOM 0 H GLN A 84 -3.457 -10.432 -6.942 1.00 0.16 H new ATOM 0 HA GLN A 84 -1.286 -10.843 -8.968 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -4.313 -10.910 -9.415 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -3.142 -10.774 -10.712 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -2.078 -12.948 -9.458 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -3.736 -13.143 -8.926 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -3.783 -15.140 -10.314 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -4.025 -14.968 -12.055 1.00 2.08 H new ATOM 1304 N LYS A 85 -1.330 -8.377 -9.360 1.00 0.17 N ATOM 1305 CA LYS A 85 -1.346 -6.899 -9.541 1.00 0.17 C ATOM 1306 C LYS A 85 -2.365 -6.542 -10.624 1.00 0.16 C ATOM 1307 O LYS A 85 -2.336 -7.080 -11.712 1.00 0.19 O ATOM 1308 CB LYS A 85 0.044 -6.427 -9.969 1.00 0.20 C ATOM 1309 CG LYS A 85 0.010 -4.928 -10.266 1.00 0.25 C ATOM 1310 CD LYS A 85 1.443 -4.389 -10.344 1.00 0.30 C ATOM 1311 CE LYS A 85 2.259 -5.225 -11.335 1.00 0.89 C ATOM 1312 NZ LYS A 85 3.482 -4.470 -11.732 1.00 1.70 N ATOM 0 H LYS A 85 -0.461 -8.838 -9.630 1.00 0.17 H new ATOM 0 HA LYS A 85 -1.620 -6.412 -8.605 1.00 0.17 H new ATOM 0 HB2 LYS A 85 0.768 -6.635 -9.181 1.00 0.20 H new ATOM 0 HB3 LYS A 85 0.369 -6.976 -10.853 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -0.510 -4.745 -11.206 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -0.545 -4.405 -9.487 1.00 0.25 H new ATOM 0 HD2 LYS A 85 1.432 -3.345 -10.657 1.00 0.30 H new ATOM 0 HD3 LYS A 85 1.907 -4.421 -9.358 1.00 0.30 H new ATOM 0 HE2 LYS A 85 2.537 -6.177 -10.882 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.658 -5.454 -12.215 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 3.872 -4.875 -12.607 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 3.237 -3.472 -11.892 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 4.191 -4.535 -10.974 1.00 1.70 H new ATOM 1326 N VAL A 86 -3.275 -5.645 -10.326 1.00 0.15 N ATOM 1327 CA VAL A 86 -4.321 -5.249 -11.327 1.00 0.16 C ATOM 1328 C VAL A 86 -4.272 -3.737 -11.560 1.00 0.18 C ATOM 1329 O VAL A 86 -4.919 -3.217 -12.448 1.00 0.26 O ATOM 1330 CB VAL A 86 -5.697 -5.637 -10.782 1.00 0.16 C ATOM 1331 CG1 VAL A 86 -5.868 -7.156 -10.871 1.00 0.19 C ATOM 1332 CG2 VAL A 86 -5.809 -5.195 -9.320 1.00 0.17 C ATOM 0 H VAL A 86 -3.340 -5.167 -9.427 1.00 0.15 H new ATOM 0 HA VAL A 86 -4.136 -5.760 -12.272 1.00 0.16 H new ATOM 0 HB VAL A 86 -6.474 -5.148 -11.370 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -6.848 -7.435 -10.483 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -5.786 -7.471 -11.911 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -5.092 -7.645 -10.282 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -6.789 -5.471 -8.931 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.033 -5.685 -8.731 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.684 -4.114 -9.256 1.00 0.17 H new ATOM 1342 N GLY A 87 -3.511 -3.027 -10.775 1.00 0.15 N ATOM 1343 CA GLY A 87 -3.426 -1.550 -10.961 1.00 0.18 C ATOM 1344 C GLY A 87 -2.324 -0.980 -10.065 1.00 0.10 C ATOM 1345 O GLY A 87 -1.962 -1.565 -9.065 1.00 0.08 O ATOM 0 H GLY A 87 -2.945 -3.403 -10.014 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.216 -1.317 -12.005 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.382 -1.087 -10.717 1.00 0.18 H new ATOM 1349 N GLU A 88 -1.787 0.157 -10.415 1.00 0.10 N ATOM 1350 CA GLU A 88 -0.711 0.758 -9.580 1.00 0.10 C ATOM 1351 C GLU A 88 -0.381 2.159 -10.101 1.00 0.10 C ATOM 1352 O GLU A 88 -0.662 2.490 -11.235 1.00 0.11 O ATOM 1353 CB GLU A 88 0.541 -0.118 -9.651 1.00 0.17 C ATOM 1354 CG GLU A 88 0.865 -0.434 -11.115 1.00 0.25 C ATOM 1355 CD GLU A 88 2.296 -0.967 -11.223 1.00 1.25 C ATOM 1356 OE1 GLU A 88 3.129 -0.537 -10.441 1.00 1.94 O ATOM 1357 OE2 GLU A 88 2.535 -1.796 -12.086 1.00 2.04 O ATOM 0 H GLU A 88 -2.047 0.694 -11.242 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.051 0.825 -8.546 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.382 0.394 -9.184 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.382 -1.042 -9.095 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.162 -1.171 -11.502 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.754 0.463 -11.724 1.00 0.25 H new ATOM 1364 N PHE A 89 0.223 2.978 -9.285 1.00 0.09 N ATOM 1365 CA PHE A 89 0.581 4.353 -9.739 1.00 0.09 C ATOM 1366 C PHE A 89 1.481 5.023 -8.693 1.00 0.09 C ATOM 1367 O PHE A 89 1.483 4.650 -7.536 1.00 0.12 O ATOM 1368 CB PHE A 89 -0.701 5.177 -9.956 1.00 0.09 C ATOM 1369 CG PHE A 89 -1.234 5.699 -8.637 1.00 0.09 C ATOM 1370 CD1 PHE A 89 -0.725 6.898 -8.102 1.00 0.12 C ATOM 1371 CD2 PHE A 89 -2.237 4.990 -7.949 1.00 0.10 C ATOM 1372 CE1 PHE A 89 -1.219 7.388 -6.878 1.00 0.14 C ATOM 1373 CE2 PHE A 89 -2.731 5.482 -6.723 1.00 0.10 C ATOM 1374 CZ PHE A 89 -2.221 6.681 -6.189 1.00 0.11 C ATOM 0 H PHE A 89 0.484 2.756 -8.324 1.00 0.09 H new ATOM 0 HA PHE A 89 1.124 4.297 -10.683 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.493 6.012 -10.626 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.458 4.560 -10.441 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.044 7.442 -8.630 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -2.628 4.071 -8.359 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.828 8.307 -6.468 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -3.500 4.939 -6.194 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.599 7.058 -5.250 1.00 0.11 H new ATOM 1384 N SER A 90 2.243 6.011 -9.097 1.00 0.13 N ATOM 1385 CA SER A 90 3.153 6.724 -8.143 1.00 0.14 C ATOM 1386 C SER A 90 2.850 8.223 -8.185 1.00 0.14 C ATOM 1387 O SER A 90 2.607 8.787 -9.233 1.00 0.17 O ATOM 1388 CB SER A 90 4.605 6.489 -8.558 1.00 0.15 C ATOM 1389 OG SER A 90 4.787 6.928 -9.898 1.00 0.16 O ATOM 0 H SER A 90 2.274 6.358 -10.056 1.00 0.13 H new ATOM 0 HA SER A 90 2.997 6.346 -7.133 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.278 7.029 -7.892 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.853 5.431 -8.473 1.00 0.15 H new ATOM 0 HG SER A 90 5.718 6.780 -10.167 1.00 0.16 H new ATOM 1395 N GLY A 91 2.864 8.875 -7.053 1.00 0.12 N ATOM 1396 CA GLY A 91 2.577 10.339 -7.033 1.00 0.13 C ATOM 1397 C GLY A 91 2.095 10.748 -5.640 1.00 0.13 C ATOM 1398 O GLY A 91 1.367 10.027 -4.987 1.00 0.13 O ATOM 0 H GLY A 91 3.061 8.458 -6.143 1.00 0.12 H new ATOM 0 HA2 GLY A 91 3.474 10.899 -7.298 1.00 0.13 H new ATOM 0 HA3 GLY A 91 1.818 10.581 -7.777 1.00 0.13 H new ATOM 1402 N ALA A 92 2.500 11.899 -5.179 1.00 0.15 N ATOM 1403 CA ALA A 92 2.068 12.356 -3.827 1.00 0.17 C ATOM 1404 C ALA A 92 0.654 12.939 -3.908 1.00 0.15 C ATOM 1405 O ALA A 92 0.339 13.910 -3.250 1.00 0.16 O ATOM 1406 CB ALA A 92 3.037 13.427 -3.319 1.00 0.20 C ATOM 0 H ALA A 92 3.112 12.544 -5.680 1.00 0.15 H new ATOM 0 HA ALA A 92 2.069 11.510 -3.140 1.00 0.17 H new ATOM 0 HB1 ALA A 92 2.723 13.762 -2.331 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.042 13.009 -3.258 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.037 14.273 -4.006 1.00 0.20 H new ATOM 1412 N ASN A 93 -0.203 12.351 -4.705 1.00 0.14 N ATOM 1413 CA ASN A 93 -1.604 12.867 -4.826 1.00 0.13 C ATOM 1414 C ASN A 93 -2.534 12.013 -3.964 1.00 0.12 C ATOM 1415 O ASN A 93 -3.253 11.164 -4.451 1.00 0.12 O ATOM 1416 CB ASN A 93 -2.054 12.796 -6.286 1.00 0.14 C ATOM 1417 CG ASN A 93 -3.325 13.631 -6.467 1.00 0.16 C ATOM 1418 OD1 ASN A 93 -4.312 13.407 -5.797 1.00 1.04 O ATOM 1419 ND2 ASN A 93 -3.342 14.590 -7.352 1.00 1.15 N ATOM 0 H ASN A 93 0.006 11.534 -5.279 1.00 0.14 H new ATOM 0 HA ASN A 93 -1.640 13.903 -4.488 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -1.265 13.168 -6.940 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -2.242 11.761 -6.570 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -4.184 15.151 -7.480 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -2.513 14.779 -7.915 1.00 1.15 H new ATOM 1426 N LYS A 94 -2.513 12.235 -2.680 1.00 0.17 N ATOM 1427 CA LYS A 94 -3.379 11.448 -1.754 1.00 0.20 C ATOM 1428 C LYS A 94 -4.848 11.565 -2.173 1.00 0.18 C ATOM 1429 O LYS A 94 -5.631 10.660 -1.965 1.00 0.18 O ATOM 1430 CB LYS A 94 -3.204 11.968 -0.318 1.00 0.29 C ATOM 1431 CG LYS A 94 -3.237 13.509 -0.295 1.00 0.38 C ATOM 1432 CD LYS A 94 -2.842 14.029 1.100 1.00 0.88 C ATOM 1433 CE LYS A 94 -2.350 15.486 1.008 1.00 0.78 C ATOM 1434 NZ LYS A 94 -0.871 15.496 0.799 1.00 1.19 N ATOM 0 H LYS A 94 -1.927 12.936 -2.226 1.00 0.17 H new ATOM 0 HA LYS A 94 -3.084 10.400 -1.799 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.996 11.572 0.318 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -2.258 11.612 0.091 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.554 13.906 -1.046 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -4.235 13.863 -0.554 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -3.697 13.969 1.774 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.059 13.399 1.522 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -2.848 15.999 0.185 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -2.603 16.026 1.920 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 -0.536 16.479 0.736 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -0.404 15.021 1.598 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -0.642 14.995 -0.083 1.00 1.19 H new ATOM 1448 N GLU A 95 -5.232 12.663 -2.764 1.00 0.19 N ATOM 1449 CA GLU A 95 -6.654 12.814 -3.192 1.00 0.20 C ATOM 1450 C GLU A 95 -6.941 11.851 -4.346 1.00 0.17 C ATOM 1451 O GLU A 95 -8.052 11.393 -4.527 1.00 0.18 O ATOM 1452 CB GLU A 95 -6.901 14.253 -3.652 1.00 0.24 C ATOM 1453 CG GLU A 95 -6.792 15.197 -2.454 1.00 0.33 C ATOM 1454 CD GLU A 95 -7.202 16.610 -2.877 1.00 1.16 C ATOM 1455 OE1 GLU A 95 -6.376 17.297 -3.454 1.00 1.95 O ATOM 1456 OE2 GLU A 95 -8.335 16.980 -2.615 1.00 1.86 O ATOM 0 H GLU A 95 -4.628 13.459 -2.969 1.00 0.19 H new ATOM 0 HA GLU A 95 -7.313 12.585 -2.354 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -6.175 14.532 -4.415 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.889 14.337 -4.106 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -7.432 14.849 -1.644 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.771 15.202 -2.073 1.00 0.33 H new ATOM 1463 N LYS A 96 -5.943 11.540 -5.126 1.00 0.14 N ATOM 1464 CA LYS A 96 -6.140 10.605 -6.272 1.00 0.14 C ATOM 1465 C LYS A 96 -6.561 9.231 -5.746 1.00 0.12 C ATOM 1466 O LYS A 96 -7.300 8.510 -6.386 1.00 0.12 O ATOM 1467 CB LYS A 96 -4.818 10.477 -7.035 1.00 0.16 C ATOM 1468 CG LYS A 96 -5.010 9.624 -8.300 1.00 0.21 C ATOM 1469 CD LYS A 96 -3.638 9.381 -8.999 1.00 0.24 C ATOM 1470 CE LYS A 96 -3.641 9.946 -10.430 1.00 1.18 C ATOM 1471 NZ LYS A 96 -4.454 9.054 -11.312 1.00 2.05 N ATOM 0 H LYS A 96 -4.993 11.895 -5.019 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.917 10.988 -6.934 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.451 11.466 -7.308 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.063 10.023 -6.393 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.467 8.670 -8.038 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.692 10.126 -8.986 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.843 9.851 -8.420 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.424 8.313 -9.026 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.054 10.955 -10.434 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -2.621 10.018 -10.807 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.458 9.433 -12.280 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -4.041 8.100 -11.316 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.429 9.008 -10.954 1.00 2.05 H new ATOM 1485 N LEU A 97 -6.088 8.859 -4.588 1.00 0.11 N ATOM 1486 CA LEU A 97 -6.453 7.530 -4.024 1.00 0.11 C ATOM 1487 C LEU A 97 -7.974 7.359 -4.041 1.00 0.11 C ATOM 1488 O LEU A 97 -8.482 6.274 -4.236 1.00 0.11 O ATOM 1489 CB LEU A 97 -5.948 7.436 -2.579 1.00 0.12 C ATOM 1490 CG LEU A 97 -4.425 7.219 -2.560 1.00 0.12 C ATOM 1491 CD1 LEU A 97 -3.900 7.497 -1.148 1.00 0.15 C ATOM 1492 CD2 LEU A 97 -4.077 5.771 -2.961 1.00 0.13 C ATOM 0 H LEU A 97 -5.464 9.419 -4.008 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.996 6.745 -4.627 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -6.199 8.349 -2.038 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -6.446 6.614 -2.065 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.961 7.898 -3.275 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -2.821 7.346 -1.125 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -4.128 8.526 -0.871 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -4.377 6.817 -0.442 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.995 5.638 -2.941 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -4.541 5.078 -2.259 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -4.449 5.572 -3.966 1.00 0.13 H new ATOM 1504 N GLU A 98 -8.708 8.415 -3.833 1.00 0.13 N ATOM 1505 CA GLU A 98 -10.193 8.296 -3.834 1.00 0.14 C ATOM 1506 C GLU A 98 -10.673 7.832 -5.210 1.00 0.13 C ATOM 1507 O GLU A 98 -11.244 6.770 -5.356 1.00 0.13 O ATOM 1508 CB GLU A 98 -10.818 9.653 -3.504 1.00 0.16 C ATOM 1509 CG GLU A 98 -12.335 9.499 -3.368 1.00 0.21 C ATOM 1510 CD GLU A 98 -12.917 10.741 -2.689 1.00 1.34 C ATOM 1511 OE1 GLU A 98 -12.951 11.781 -3.327 1.00 2.15 O ATOM 1512 OE2 GLU A 98 -13.319 10.631 -1.542 1.00 2.05 O ATOM 0 H GLU A 98 -8.346 9.353 -3.663 1.00 0.13 H new ATOM 0 HA GLU A 98 -10.495 7.566 -3.083 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -10.397 10.043 -2.577 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -10.584 10.373 -4.288 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -12.787 9.364 -4.351 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.570 8.609 -2.784 1.00 0.21 H new ATOM 1519 N ALA A 99 -10.450 8.625 -6.221 1.00 0.13 N ATOM 1520 CA ALA A 99 -10.899 8.235 -7.588 1.00 0.14 C ATOM 1521 C ALA A 99 -10.277 6.891 -7.977 1.00 0.12 C ATOM 1522 O ALA A 99 -10.838 6.137 -8.745 1.00 0.13 O ATOM 1523 CB ALA A 99 -10.471 9.311 -8.590 1.00 0.15 C ATOM 0 H ALA A 99 -9.976 9.526 -6.160 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.985 8.140 -7.597 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.798 9.028 -9.590 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.924 10.264 -8.316 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.385 9.409 -8.578 1.00 0.15 H new ATOM 1529 N THR A 100 -9.119 6.588 -7.457 1.00 0.11 N ATOM 1530 CA THR A 100 -8.465 5.295 -7.807 1.00 0.11 C ATOM 1531 C THR A 100 -9.212 4.140 -7.134 1.00 0.10 C ATOM 1532 O THR A 100 -9.492 3.130 -7.747 1.00 0.11 O ATOM 1533 CB THR A 100 -7.008 5.315 -7.330 1.00 0.11 C ATOM 1534 OG1 THR A 100 -6.436 6.582 -7.623 1.00 0.13 O ATOM 1535 CG2 THR A 100 -6.217 4.219 -8.046 1.00 0.12 C ATOM 0 H THR A 100 -8.599 7.178 -6.807 1.00 0.11 H new ATOM 0 HA THR A 100 -8.491 5.157 -8.888 1.00 0.11 H new ATOM 0 HB THR A 100 -6.975 5.138 -6.255 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.639 7.208 -6.897 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.182 4.236 -7.705 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.657 3.247 -7.822 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.247 4.392 -9.122 1.00 0.12 H new ATOM 1543 N ILE A 101 -9.535 4.278 -5.878 1.00 0.10 N ATOM 1544 CA ILE A 101 -10.262 3.183 -5.172 1.00 0.11 C ATOM 1545 C ILE A 101 -11.587 2.909 -5.887 1.00 0.13 C ATOM 1546 O ILE A 101 -12.033 1.783 -5.965 1.00 0.14 O ATOM 1547 CB ILE A 101 -10.514 3.598 -3.715 1.00 0.13 C ATOM 1548 CG1 ILE A 101 -9.174 3.597 -2.955 1.00 0.14 C ATOM 1549 CG2 ILE A 101 -11.483 2.607 -3.056 1.00 0.16 C ATOM 1550 CD1 ILE A 101 -9.275 4.429 -1.668 1.00 0.18 C ATOM 0 H ILE A 101 -9.328 5.099 -5.310 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.663 2.272 -5.181 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.952 4.596 -3.687 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.891 2.573 -2.710 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.388 4.001 -3.594 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.660 2.904 -2.022 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -12.428 2.606 -3.600 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -11.051 1.607 -3.077 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -8.317 4.413 -1.149 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -9.535 5.457 -1.919 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -10.045 4.008 -1.022 1.00 0.18 H new ATOM 1562 N ASN A 102 -12.217 3.922 -6.416 1.00 0.14 N ATOM 1563 CA ASN A 102 -13.506 3.695 -7.128 1.00 0.17 C ATOM 1564 C ASN A 102 -13.206 3.108 -8.506 1.00 0.18 C ATOM 1565 O ASN A 102 -14.092 2.842 -9.293 1.00 0.21 O ATOM 1566 CB ASN A 102 -14.245 5.025 -7.285 1.00 0.19 C ATOM 1567 CG ASN A 102 -15.634 4.772 -7.872 1.00 0.26 C ATOM 1568 OD1 ASN A 102 -16.304 3.833 -7.492 1.00 0.81 O ATOM 1569 ND2 ASN A 102 -16.098 5.575 -8.789 1.00 1.03 N ATOM 0 H ASN A 102 -11.898 4.890 -6.387 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.131 3.006 -6.559 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -14.332 5.521 -6.318 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.680 5.692 -7.936 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.023 5.414 -9.187 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.536 6.364 -9.108 1.00 1.03 H new ATOM 1576 N GLU A 103 -11.951 2.909 -8.798 1.00 0.16 N ATOM 1577 CA GLU A 103 -11.563 2.342 -10.118 1.00 0.18 C ATOM 1578 C GLU A 103 -11.751 0.823 -10.104 1.00 0.19 C ATOM 1579 O GLU A 103 -12.447 0.263 -10.928 1.00 0.22 O ATOM 1580 CB GLU A 103 -10.090 2.674 -10.391 1.00 0.17 C ATOM 1581 CG GLU A 103 -9.777 2.503 -11.884 1.00 0.22 C ATOM 1582 CD GLU A 103 -8.415 3.129 -12.192 1.00 1.25 C ATOM 1583 OE1 GLU A 103 -7.653 3.331 -11.261 1.00 2.02 O ATOM 1584 OE2 GLU A 103 -8.159 3.397 -13.354 1.00 2.01 O ATOM 0 H GLU A 103 -11.172 3.117 -8.173 1.00 0.16 H new ATOM 0 HA GLU A 103 -12.190 2.772 -10.899 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -9.877 3.697 -10.082 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -9.447 2.022 -9.800 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -9.771 1.445 -12.147 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -10.552 2.977 -12.486 1.00 0.22 H new ATOM 1591 N LEU A 104 -11.116 0.156 -9.176 1.00 0.17 N ATOM 1592 CA LEU A 104 -11.220 -1.334 -9.088 1.00 0.19 C ATOM 1593 C LEU A 104 -12.113 -1.716 -7.905 1.00 0.19 C ATOM 1594 O LEU A 104 -12.023 -2.805 -7.375 1.00 0.21 O ATOM 1595 CB LEU A 104 -9.823 -1.932 -8.875 1.00 0.17 C ATOM 1596 CG LEU A 104 -8.852 -1.421 -9.951 1.00 0.20 C ATOM 1597 CD1 LEU A 104 -7.414 -1.690 -9.504 1.00 0.20 C ATOM 1598 CD2 LEU A 104 -9.107 -2.144 -11.279 1.00 0.35 C ATOM 0 H LEU A 104 -10.522 0.584 -8.466 1.00 0.17 H new ATOM 0 HA LEU A 104 -11.650 -1.720 -10.012 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.453 -1.664 -7.885 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -9.877 -3.020 -8.912 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.007 -0.351 -10.089 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -6.723 -1.329 -10.265 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.222 -1.172 -8.564 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.271 -2.761 -9.363 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -8.413 -1.774 -12.034 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -8.959 -3.215 -11.144 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -10.130 -1.957 -11.604 1.00 0.35 H new ATOM 1610 N VAL A 105 -12.976 -0.831 -7.487 1.00 0.20 N ATOM 1611 CA VAL A 105 -13.871 -1.153 -6.338 1.00 0.22 C ATOM 1612 C VAL A 105 -14.741 -2.362 -6.700 1.00 0.26 C ATOM 1613 O VAL A 105 -14.958 -2.579 -7.882 1.00 1.04 O ATOM 1614 CB VAL A 105 -14.764 0.057 -6.041 1.00 0.23 C ATOM 1615 CG1 VAL A 105 -15.412 0.538 -7.339 1.00 0.24 C ATOM 1616 CG2 VAL A 105 -15.853 -0.333 -5.037 1.00 0.27 C ATOM 1617 OXT VAL A 105 -15.173 -3.050 -5.790 1.00 1.18 O ATOM 0 H VAL A 105 -13.100 0.098 -7.889 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.274 -1.388 -5.457 1.00 0.22 H new ATOM 0 HB VAL A 105 -14.158 0.857 -5.616 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.048 1.399 -7.131 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -14.636 0.823 -8.049 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.015 -0.264 -7.764 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -16.484 0.532 -4.830 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -16.462 -1.135 -5.454 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -15.389 -0.673 -4.111 1.00 0.27 H new TER 1627 VAL A 105 HETATM 1628 O HOH A 201 -5.947 -11.775 -2.466 1.00 0.24 O HETATM 1631 O HOH A 202 7.825 -1.627 6.301 1.00 0.40 O HETATM 1634 O HOH A 203 11.835 3.750 4.219 1.00 0.32 O HETATM 1637 O HOH A 204 -8.024 -11.007 -1.184 1.00 0.26 O HETATM 1640 O HOH A 205 -5.881 -14.786 -0.357 1.00 0.21 O HETATM 1643 O HOH A 206 -11.405 -5.230 -0.661 1.00 0.37 O END